USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=74 USER MOD reduce.3.24.130724 removed 1502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 80 CYS SG : rot 29:sc= 0.309 USER MOD Set 1.2: B 83 TYR OH : rot -65:sc=0.000986 USER MOD Set 1.3: B 84 ASN : amide:sc= -0.116 K(o=0.19,f=-0.5) USER MOD Set 2.1: B 58 SER OG : rot 83:sc= 0.793 USER MOD Set 2.2: B 61 LYS NZ :NH3+ -144:sc= 0.877 (180deg=0) USER MOD Set 3.1: B 32 LYS NZ :NH3+ 138:sc= 1.92 (180deg=0.683) USER MOD Set 3.2: B 63 SER OG : rot 66:sc= 1.48 USER MOD Set 4.1: B 25 SER OG : rot 152:sc= 1.42 USER MOD Set 4.2: B 28 THR OG1 : rot 112:sc= 0.689 USER MOD Set 5.1: A 80 CYS SG : rot 81:sc= 0.766 USER MOD Set 5.2: A 81 MET CE :methyl 160:sc= -0.543 (180deg=-1.71) USER MOD Set 5.3: A 84 ASN : amide:sc= 0.986 K(o=1.2,f=-0.44) USER MOD Set 6.1: A 77 THR OG1 : rot 78:sc= 1.65 USER MOD Set 6.2: B 73 SER OG : rot -172:sc= 0.438 USER MOD Set 7.1: A 73 SER OG : rot -172:sc= 0.476 USER MOD Set 7.2: B 77 THR OG1 : rot 83:sc= 1.67 USER MOD Set 8.1: A 58 SER OG : rot 113:sc= 1.14 USER MOD Set 8.2: A 61 LYS NZ :NH3+ -117:sc= 1.3 (180deg=0.402) USER MOD Set 9.1: A 32 LYS NZ :NH3+ -155:sc= 1.93 (180deg=-0.0659) USER MOD Set 9.2: A 63 SER OG : rot 64:sc= 2.14 USER MOD Set10.1: A 25 SER OG : rot 173:sc= 1.35 USER MOD Set10.2: A 28 THR OG1 : rot 116:sc= 2.36 USER MOD Set11.1: A 18 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.18) USER MOD Set11.2: A 19 TYR OH : rot -28:sc= 1.24 USER MOD Set12.1: A 15 THR OG1 : rot -11:sc= 0.0549 USER MOD Set12.2: A 72 TYR OH : rot 157:sc= 0.0353 USER MOD Set13.1: A 12 MET CE :methyl 163:sc= 0 (180deg=-0.177) USER MOD Set13.2: B 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 149:sc= 0 (180deg=-1.31!) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0.515! (180deg=-0.333!) USER MOD Single : A 3 THR OG1 : rot -170:sc=-0.00308 USER MOD Single : A 7 LYS NZ :NH3+ -135:sc= 2.06 (180deg=1.05!) USER MOD Single : A 10 THR OG1 : rot 81:sc= 0.187 USER MOD Single : A 11 THR OG1 : rot 69:sc= 1.32 USER MOD Single : A 14 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 17 HIS : no HD1:sc= -0.967 K(o=-0.97,f=-0.037) USER MOD Single : A 20 SER OG : rot -83:sc= 0.941 USER MOD Single : A 26 LYS NZ :NH3+ -123:sc= 1.07 (180deg=-3.63!) USER MOD Single : A 30 SER OG : rot 159:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 1.06 (180deg=1.06) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.07) USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.19) USER MOD Single : A 43 CYS SG : rot 115:sc= 0.115 USER MOD Single : A 47 MET CE :methyl -167:sc= 0 (180deg=-0.24) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0.504 (180deg=0.43) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 153:sc= -1.35 (180deg=-3.19!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 62 ASN : amide:sc= -0.0421 X(o=-0.042,f=-0.042) USER MOD Single : A 65 GLN : amide:sc= -0.496 K(o=-0.5,f=-2.6) USER MOD Single : A 70 LYS NZ :NH3+ -108:sc= 0.0961 (180deg=0) USER MOD Single : A 78 MET CE :methyl 156:sc= -0.0799 (180deg=-0.75) USER MOD Single : A 83 TYR OH : rot 30:sc= -0.974 USER MOD Single : A 91 ASN : amide:sc= 0.748 K(o=0.75,f=-0.0094) USER MOD Single : A 92 LYS NZ :NH3+ -169:sc= 1 (180deg=0.889) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -167:sc= 1.3 (180deg=0.518) USER MOD Single : B 3 THR OG1 : rot 104:sc= 1 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 THR OG1 : rot 153:sc= 1.24 USER MOD Single : B 11 THR OG1 : rot 70:sc= -0.0476 USER MOD Single : B 14 THR OG1 : rot -20:sc= 1.2 USER MOD Single : B 15 THR OG1 : rot 135:sc= 1.28 USER MOD Single : B 17 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : B 18 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.2) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -78:sc= 0.997 USER MOD Single : B 26 LYS NZ :NH3+ 151:sc= -0.1 (180deg=-1.04!) USER MOD Single : B 30 SER OG : rot 180:sc= 0.232 USER MOD Single : B 35 LYS NZ :NH3+ -138:sc= 1.83 (180deg=-1.36) USER MOD Single : B 39 LYS NZ :NH3+ 144:sc= 0.136 (180deg=-1.61!) USER MOD Single : B 40 LYS NZ :NH3+ 146:sc= -0.074 (180deg=-3.49!) USER MOD Single : B 43 CYS SG : rot 31:sc= -0.138 USER MOD Single : B 47 MET CE :methyl -175:sc= -2.33 (180deg=-2.65) USER MOD Single : B 48 LYS NZ :NH3+ -163:sc= 0.886 (180deg=0.674) USER MOD Single : B 50 SER OG : rot 180:sc= 0.0182 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 56 MET CE :methyl -176:sc= 0 (180deg=-0.0207) USER MOD Single : B 57 LYS NZ :NH3+ 147:sc= 1.1 (180deg=-0.695!) USER MOD Single : B 62 ASN : amide:sc=-0.00747 X(o=-0.0075,f=-0.0075) USER MOD Single : B 65 GLN : amide:sc= -0.0701 K(o=-0.07,f=-3.7!) USER MOD Single : B 70 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.14) USER MOD Single : B 72 TYR OH : rot 2:sc= 1.21 USER MOD Single : B 78 MET CE :methyl 141:sc= -0.0907 (180deg=-0.619) USER MOD Single : B 81 MET CE :methyl -161:sc= -0.0133 (180deg=-0.763) USER MOD Single : B 91 ASN : amide:sc= 0.832 K(o=0.83,f=0) USER MOD Single : B 92 LYS NZ :NH3+ -174:sc= 2.1 (180deg=1.73) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.701 1.530 20.891 1.00 3.99 N ATOM 2 CA MET A 1 11.015 2.781 21.624 1.00 3.25 C ATOM 3 C MET A 1 9.766 3.357 22.272 1.00 2.56 C ATOM 4 O MET A 1 9.867 3.939 23.341 1.00 3.56 O ATOM 5 CB MET A 1 11.709 3.865 20.776 1.00 3.96 C ATOM 6 CG MET A 1 12.821 3.344 19.863 1.00 5.22 C ATOM 7 SD MET A 1 14.058 2.309 20.690 1.00 6.31 S ATOM 8 CE MET A 1 15.162 3.587 21.368 1.00 7.63 C ATOM 0 H1 MET A 1 11.582 1.015 20.691 1.00 3.99 H new ATOM 0 H2 MET A 1 10.076 0.935 21.472 1.00 3.99 H new ATOM 0 H3 MET A 1 10.225 1.762 19.996 1.00 3.99 H new ATOM 0 HA MET A 1 11.735 2.486 22.387 1.00 3.25 H new ATOM 0 HB2 MET A 1 10.958 4.365 20.164 1.00 3.96 H new ATOM 0 HB3 MET A 1 12.128 4.618 21.444 1.00 3.96 H new ATOM 0 HG2 MET A 1 12.369 2.770 19.054 1.00 5.22 H new ATOM 0 HG3 MET A 1 13.326 4.195 19.406 1.00 5.22 H new ATOM 0 HE1 MET A 1 15.608 3.228 22.296 1.00 7.63 H new ATOM 0 HE2 MET A 1 15.950 3.806 20.648 1.00 7.63 H new ATOM 0 HE3 MET A 1 14.590 4.493 21.567 1.00 7.63 H new ATOM 17 N GLU A 2 8.615 3.191 21.616 1.00 2.03 N ATOM 18 CA GLU A 2 7.237 3.495 22.044 1.00 2.38 C ATOM 19 C GLU A 2 6.859 4.924 21.651 1.00 1.87 C ATOM 20 O GLU A 2 5.984 5.582 22.211 1.00 2.35 O ATOM 21 CB GLU A 2 6.919 3.050 23.479 1.00 3.60 C ATOM 22 CG GLU A 2 7.496 1.650 23.759 1.00 4.23 C ATOM 23 CD GLU A 2 7.373 0.685 22.574 1.00 4.59 C ATOM 24 OE1 GLU A 2 6.238 0.357 22.167 1.00 5.37 O ATOM 25 OE2 GLU A 2 8.417 0.400 21.930 1.00 4.61 O ATOM 0 H GLU A 2 8.620 2.800 20.674 1.00 2.03 H new ATOM 0 HA GLU A 2 6.545 2.864 21.486 1.00 2.38 H new ATOM 0 HB2 GLU A 2 7.334 3.767 24.187 1.00 3.60 H new ATOM 0 HB3 GLU A 2 5.840 3.040 23.631 1.00 3.60 H new ATOM 0 HG2 GLU A 2 8.547 1.747 24.029 1.00 4.23 H new ATOM 0 HG3 GLU A 2 6.984 1.221 24.620 1.00 4.23 H new ATOM 32 N THR A 3 7.564 5.345 20.604 1.00 1.22 N ATOM 33 CA THR A 3 7.366 6.577 19.842 1.00 0.79 C ATOM 34 C THR A 3 6.222 6.378 18.845 1.00 0.71 C ATOM 35 O THR A 3 6.001 5.247 18.402 1.00 0.84 O ATOM 36 CB THR A 3 8.666 7.007 19.163 1.00 1.23 C ATOM 37 OG1 THR A 3 9.185 5.998 18.330 1.00 2.14 O ATOM 38 CG2 THR A 3 9.721 7.349 20.209 1.00 1.57 C ATOM 0 H THR A 3 8.343 4.797 20.240 1.00 1.22 H new ATOM 0 HA THR A 3 7.086 7.387 20.515 1.00 0.79 H new ATOM 0 HB THR A 3 8.429 7.880 18.555 1.00 1.23 H new ATOM 0 HG1 THR A 3 10.088 6.245 18.040 1.00 2.14 H new ATOM 0 HG21 THR A 3 10.642 7.654 19.711 1.00 1.57 H new ATOM 0 HG22 THR A 3 9.361 8.164 20.836 1.00 1.57 H new ATOM 0 HG23 THR A 3 9.916 6.474 20.829 1.00 1.57 H new ATOM 46 N PRO A 4 5.450 7.423 18.498 1.00 0.84 N ATOM 47 CA PRO A 4 4.170 7.225 17.837 1.00 0.99 C ATOM 48 C PRO A 4 4.320 6.687 16.415 1.00 0.84 C ATOM 49 O PRO A 4 3.628 5.733 16.053 1.00 0.90 O ATOM 50 CB PRO A 4 3.469 8.591 17.877 1.00 1.41 C ATOM 51 CG PRO A 4 4.620 9.590 18.023 1.00 1.48 C ATOM 52 CD PRO A 4 5.636 8.820 18.862 1.00 1.12 C ATOM 0 HA PRO A 4 3.580 6.463 18.346 1.00 0.99 H new ATOM 0 HB2 PRO A 4 2.895 8.772 16.968 1.00 1.41 H new ATOM 0 HB3 PRO A 4 2.773 8.659 18.713 1.00 1.41 H new ATOM 0 HG2 PRO A 4 5.031 9.878 17.055 1.00 1.48 H new ATOM 0 HG3 PRO A 4 4.299 10.507 18.518 1.00 1.48 H new ATOM 0 HD2 PRO A 4 6.653 9.150 18.650 1.00 1.12 H new ATOM 0 HD3 PRO A 4 5.466 8.976 19.927 1.00 1.12 H new ATOM 60 N LEU A 5 5.220 7.269 15.606 1.00 0.82 N ATOM 61 CA LEU A 5 5.363 6.880 14.204 1.00 0.88 C ATOM 62 C LEU A 5 6.206 5.620 14.009 1.00 0.85 C ATOM 63 O LEU A 5 5.987 4.896 13.035 1.00 0.93 O ATOM 64 CB LEU A 5 5.919 8.041 13.384 1.00 1.01 C ATOM 65 CG LEU A 5 5.471 7.935 11.913 1.00 1.33 C ATOM 66 CD1 LEU A 5 4.090 8.574 11.726 1.00 2.01 C ATOM 67 CD2 LEU A 5 6.501 8.559 10.978 1.00 1.93 C ATOM 0 H LEU A 5 5.856 8.009 15.903 1.00 0.82 H new ATOM 0 HA LEU A 5 4.364 6.633 13.845 1.00 0.88 H new ATOM 0 HB2 LEU A 5 5.578 8.986 13.806 1.00 1.01 H new ATOM 0 HB3 LEU A 5 7.008 8.042 13.438 1.00 1.01 H new ATOM 0 HG LEU A 5 5.394 6.879 11.654 1.00 1.33 H new ATOM 0 HD11 LEU A 5 3.789 8.490 10.682 1.00 2.01 H new ATOM 0 HD12 LEU A 5 3.363 8.060 12.355 1.00 2.01 H new ATOM 0 HD13 LEU A 5 4.135 9.626 12.008 1.00 2.01 H new ATOM 0 HD21 LEU A 5 6.158 8.469 9.947 1.00 1.93 H new ATOM 0 HD22 LEU A 5 6.628 9.612 11.228 1.00 1.93 H new ATOM 0 HD23 LEU A 5 7.454 8.042 11.090 1.00 1.93 H new ATOM 79 N GLU A 6 7.066 5.273 14.971 1.00 0.84 N ATOM 80 CA GLU A 6 7.594 3.909 15.069 1.00 1.01 C ATOM 81 C GLU A 6 6.444 2.908 15.005 1.00 0.96 C ATOM 82 O GLU A 6 6.532 1.947 14.255 1.00 1.05 O ATOM 83 CB GLU A 6 8.339 3.730 16.393 1.00 1.28 C ATOM 84 CG GLU A 6 8.775 2.307 16.759 1.00 1.73 C ATOM 85 CD GLU A 6 9.018 2.178 18.257 1.00 3.08 C ATOM 86 OE1 GLU A 6 9.203 3.190 18.969 1.00 4.01 O ATOM 87 OE2 GLU A 6 9.000 1.049 18.781 1.00 4.16 O ATOM 0 H GLU A 6 7.409 5.912 15.688 1.00 0.84 H new ATOM 0 HA GLU A 6 8.281 3.736 14.240 1.00 1.01 H new ATOM 0 HB2 GLU A 6 9.227 4.361 16.370 1.00 1.28 H new ATOM 0 HB3 GLU A 6 7.702 4.106 17.194 1.00 1.28 H new ATOM 0 HG2 GLU A 6 8.008 1.597 16.449 1.00 1.73 H new ATOM 0 HG3 GLU A 6 9.685 2.051 16.216 1.00 1.73 H new ATOM 94 N LYS A 7 5.321 3.111 15.706 1.00 0.90 N ATOM 95 CA LYS A 7 4.284 2.071 15.707 1.00 0.99 C ATOM 96 C LYS A 7 3.556 2.008 14.349 1.00 0.90 C ATOM 97 O LYS A 7 2.966 0.983 14.001 1.00 0.99 O ATOM 98 CB LYS A 7 3.329 2.218 16.905 1.00 1.18 C ATOM 99 CG LYS A 7 3.955 2.556 18.273 1.00 1.41 C ATOM 100 CD LYS A 7 5.315 1.940 18.666 1.00 2.32 C ATOM 101 CE LYS A 7 5.318 0.418 18.870 1.00 3.04 C ATOM 102 NZ LYS A 7 6.575 -0.050 19.515 1.00 3.90 N ATOM 0 H LYS A 7 5.112 3.944 16.256 1.00 0.90 H new ATOM 0 HA LYS A 7 4.773 1.106 15.837 1.00 0.99 H new ATOM 0 HB2 LYS A 7 2.604 2.996 16.665 1.00 1.18 H new ATOM 0 HB3 LYS A 7 2.774 1.286 17.010 1.00 1.18 H new ATOM 0 HG2 LYS A 7 4.062 3.640 18.323 1.00 1.41 H new ATOM 0 HG3 LYS A 7 3.235 2.271 19.040 1.00 1.41 H new ATOM 0 HD2 LYS A 7 6.043 2.187 17.893 1.00 2.32 H new ATOM 0 HD3 LYS A 7 5.656 2.413 19.587 1.00 2.32 H new ATOM 0 HE2 LYS A 7 4.465 0.132 19.486 1.00 3.04 H new ATOM 0 HE3 LYS A 7 5.197 -0.078 17.907 1.00 3.04 H new ATOM 0 HZ1 LYS A 7 6.925 -0.895 19.020 1.00 3.90 H new ATOM 0 HZ2 LYS A 7 7.291 0.702 19.465 1.00 3.90 H new ATOM 0 HZ3 LYS A 7 6.388 -0.285 20.511 1.00 3.90 H new ATOM 116 N ALA A 8 3.628 3.077 13.546 1.00 0.79 N ATOM 117 CA ALA A 8 3.198 3.096 12.147 1.00 0.74 C ATOM 118 C ALA A 8 4.185 2.324 11.257 1.00 0.64 C ATOM 119 O ALA A 8 3.761 1.369 10.614 1.00 0.67 O ATOM 120 CB ALA A 8 2.998 4.551 11.696 1.00 0.88 C ATOM 0 H ALA A 8 3.997 3.974 13.862 1.00 0.79 H new ATOM 0 HA ALA A 8 2.241 2.583 12.048 1.00 0.74 H new ATOM 0 HB1 ALA A 8 2.678 4.568 10.654 1.00 0.88 H new ATOM 0 HB2 ALA A 8 2.237 5.023 12.317 1.00 0.88 H new ATOM 0 HB3 ALA A 8 3.937 5.095 11.796 1.00 0.88 H new ATOM 126 N LEU A 9 5.483 2.663 11.259 1.00 0.63 N ATOM 127 CA LEU A 9 6.502 1.962 10.471 1.00 0.62 C ATOM 128 C LEU A 9 6.596 0.480 10.869 1.00 0.60 C ATOM 129 O LEU A 9 6.576 -0.364 9.972 1.00 0.60 O ATOM 130 CB LEU A 9 7.867 2.691 10.573 1.00 0.67 C ATOM 131 CG LEU A 9 8.123 3.841 9.563 1.00 0.67 C ATOM 132 CD1 LEU A 9 8.198 3.332 8.112 1.00 0.81 C ATOM 133 CD2 LEU A 9 7.098 4.980 9.660 1.00 0.80 C ATOM 0 H LEU A 9 5.855 3.436 11.811 1.00 0.63 H new ATOM 0 HA LEU A 9 6.202 1.981 9.423 1.00 0.62 H new ATOM 0 HB2 LEU A 9 7.961 3.096 11.580 1.00 0.67 H new ATOM 0 HB3 LEU A 9 8.658 1.950 10.452 1.00 0.67 H new ATOM 0 HG LEU A 9 9.093 4.249 9.846 1.00 0.67 H new ATOM 0 HD11 LEU A 9 8.378 4.172 7.441 1.00 0.81 H new ATOM 0 HD12 LEU A 9 9.012 2.613 8.020 1.00 0.81 H new ATOM 0 HD13 LEU A 9 7.257 2.851 7.846 1.00 0.81 H new ATOM 0 HD21 LEU A 9 7.338 5.749 8.926 1.00 0.80 H new ATOM 0 HD22 LEU A 9 6.100 4.589 9.463 1.00 0.80 H new ATOM 0 HD23 LEU A 9 7.128 5.412 10.660 1.00 0.80 H new ATOM 145 N THR A 10 6.558 0.143 12.171 1.00 0.62 N ATOM 146 CA THR A 10 6.411 -1.233 12.678 1.00 0.64 C ATOM 147 C THR A 10 5.206 -1.935 12.068 1.00 0.59 C ATOM 148 O THR A 10 5.367 -3.064 11.618 1.00 0.62 O ATOM 149 CB THR A 10 6.335 -1.267 14.207 1.00 0.76 C ATOM 150 OG1 THR A 10 7.575 -0.850 14.707 1.00 1.00 O ATOM 151 CG2 THR A 10 6.087 -2.666 14.776 1.00 1.05 C ATOM 0 H THR A 10 6.630 0.836 12.916 1.00 0.62 H new ATOM 0 HA THR A 10 7.305 -1.776 12.372 1.00 0.64 H new ATOM 0 HB THR A 10 5.502 -0.627 14.498 1.00 0.76 H new ATOM 0 HG1 THR A 10 7.620 0.129 14.696 1.00 1.00 H new ATOM 0 HG21 THR A 10 6.045 -2.614 15.864 1.00 1.05 H new ATOM 0 HG22 THR A 10 5.142 -3.052 14.394 1.00 1.05 H new ATOM 0 HG23 THR A 10 6.898 -3.330 14.475 1.00 1.05 H new ATOM 159 N THR A 11 4.032 -1.293 11.998 1.00 0.57 N ATOM 160 CA THR A 11 2.834 -1.873 11.364 1.00 0.56 C ATOM 161 C THR A 11 3.050 -2.078 9.865 1.00 0.51 C ATOM 162 O THR A 11 2.775 -3.163 9.355 1.00 0.54 O ATOM 163 CB THR A 11 1.596 -1.016 11.645 1.00 0.60 C ATOM 164 OG1 THR A 11 1.415 -0.966 13.040 1.00 0.90 O ATOM 165 CG2 THR A 11 0.325 -1.608 11.044 1.00 0.73 C ATOM 0 H THR A 11 3.883 -0.358 12.378 1.00 0.57 H new ATOM 0 HA THR A 11 2.659 -2.855 11.804 1.00 0.56 H new ATOM 0 HB THR A 11 1.761 -0.035 11.200 1.00 0.60 H new ATOM 0 HG1 THR A 11 2.135 -0.438 13.444 1.00 0.90 H new ATOM 0 HG21 THR A 11 -0.522 -0.961 11.273 1.00 0.73 H new ATOM 0 HG22 THR A 11 0.437 -1.689 9.963 1.00 0.73 H new ATOM 0 HG23 THR A 11 0.150 -2.598 11.466 1.00 0.73 H new ATOM 173 N MET A 12 3.607 -1.081 9.166 1.00 0.50 N ATOM 174 CA MET A 12 3.910 -1.174 7.731 1.00 0.50 C ATOM 175 C MET A 12 4.874 -2.327 7.443 1.00 0.50 C ATOM 176 O MET A 12 4.555 -3.173 6.608 1.00 0.49 O ATOM 177 CB MET A 12 4.449 0.166 7.201 1.00 0.55 C ATOM 178 CG MET A 12 3.361 1.249 7.217 1.00 0.90 C ATOM 179 SD MET A 12 3.981 2.923 6.920 1.00 1.25 S ATOM 180 CE MET A 12 2.930 3.428 5.530 1.00 0.66 C ATOM 0 H MET A 12 3.861 -0.184 9.580 1.00 0.50 H new ATOM 0 HA MET A 12 2.983 -1.390 7.200 1.00 0.50 H new ATOM 0 HB2 MET A 12 5.294 0.487 7.810 1.00 0.55 H new ATOM 0 HB3 MET A 12 4.820 0.035 6.185 1.00 0.55 H new ATOM 0 HG2 MET A 12 2.614 1.010 6.460 1.00 0.90 H new ATOM 0 HG3 MET A 12 2.855 1.226 8.182 1.00 0.90 H new ATOM 0 HE1 MET A 12 2.966 4.512 5.422 1.00 0.66 H new ATOM 0 HE2 MET A 12 3.289 2.960 4.614 1.00 0.66 H new ATOM 0 HE3 MET A 12 1.903 3.116 5.719 1.00 0.66 H new ATOM 190 N VAL A 13 6.000 -2.427 8.165 1.00 0.56 N ATOM 191 CA VAL A 13 6.940 -3.551 7.973 1.00 0.61 C ATOM 192 C VAL A 13 6.315 -4.894 8.370 1.00 0.63 C ATOM 193 O VAL A 13 6.583 -5.889 7.703 1.00 0.68 O ATOM 194 CB VAL A 13 8.331 -3.373 8.641 1.00 0.67 C ATOM 195 CG1 VAL A 13 9.077 -2.129 8.132 1.00 0.72 C ATOM 196 CG2 VAL A 13 8.296 -3.357 10.171 1.00 0.69 C ATOM 0 H VAL A 13 6.283 -1.755 8.879 1.00 0.56 H new ATOM 0 HA VAL A 13 7.134 -3.550 6.900 1.00 0.61 H new ATOM 0 HB VAL A 13 8.879 -4.265 8.339 1.00 0.67 H new ATOM 0 HG11 VAL A 13 10.043 -2.054 8.632 1.00 0.72 H new ATOM 0 HG12 VAL A 13 9.231 -2.212 7.056 1.00 0.72 H new ATOM 0 HG13 VAL A 13 8.487 -1.238 8.346 1.00 0.72 H new ATOM 0 HG21 VAL A 13 9.307 -3.229 10.557 1.00 0.69 H new ATOM 0 HG22 VAL A 13 7.670 -2.532 10.512 1.00 0.69 H new ATOM 0 HG23 VAL A 13 7.885 -4.299 10.535 1.00 0.69 H new ATOM 206 N THR A 14 5.444 -4.935 9.391 1.00 0.62 N ATOM 207 CA THR A 14 4.771 -6.170 9.828 1.00 0.68 C ATOM 208 C THR A 14 3.915 -6.739 8.704 1.00 0.70 C ATOM 209 O THR A 14 4.115 -7.897 8.343 1.00 0.88 O ATOM 210 CB THR A 14 3.946 -5.948 11.100 1.00 0.73 C ATOM 211 OG1 THR A 14 4.841 -5.601 12.124 1.00 0.86 O ATOM 212 CG2 THR A 14 3.212 -7.206 11.565 1.00 1.14 C ATOM 0 H THR A 14 5.186 -4.113 9.937 1.00 0.62 H new ATOM 0 HA THR A 14 5.542 -6.901 10.073 1.00 0.68 H new ATOM 0 HB THR A 14 3.204 -5.180 10.883 1.00 0.73 H new ATOM 0 HG1 THR A 14 5.250 -4.734 11.921 1.00 0.86 H new ATOM 0 HG21 THR A 14 2.646 -6.984 12.470 1.00 1.14 H new ATOM 0 HG22 THR A 14 2.530 -7.539 10.783 1.00 1.14 H new ATOM 0 HG23 THR A 14 3.936 -7.993 11.774 1.00 1.14 H new ATOM 220 N THR A 15 3.025 -5.930 8.117 1.00 0.61 N ATOM 221 CA THR A 15 2.159 -6.378 7.010 1.00 0.65 C ATOM 222 C THR A 15 2.958 -6.707 5.756 1.00 0.64 C ATOM 223 O THR A 15 2.719 -7.745 5.156 1.00 0.80 O ATOM 224 CB THR A 15 1.030 -5.394 6.696 1.00 0.71 C ATOM 225 OG1 THR A 15 1.549 -4.143 6.322 1.00 1.44 O ATOM 226 CG2 THR A 15 0.095 -5.204 7.890 1.00 0.86 C ATOM 0 H THR A 15 2.882 -4.957 8.389 1.00 0.61 H new ATOM 0 HA THR A 15 1.689 -7.297 7.360 1.00 0.65 H new ATOM 0 HB THR A 15 0.461 -5.820 5.870 1.00 0.71 H new ATOM 0 HG1 THR A 15 2.511 -4.119 6.509 1.00 1.44 H new ATOM 0 HG21 THR A 15 -0.693 -4.498 7.627 1.00 0.86 H new ATOM 0 HG22 THR A 15 -0.351 -6.162 8.159 1.00 0.86 H new ATOM 0 HG23 THR A 15 0.661 -4.816 8.737 1.00 0.86 H new ATOM 234 N PHE A 16 3.938 -5.889 5.367 1.00 0.58 N ATOM 235 CA PHE A 16 4.681 -6.119 4.128 1.00 0.60 C ATOM 236 C PHE A 16 5.638 -7.327 4.229 1.00 0.79 C ATOM 237 O PHE A 16 5.811 -8.071 3.260 1.00 0.97 O ATOM 238 CB PHE A 16 5.413 -4.809 3.792 1.00 0.73 C ATOM 239 CG PHE A 16 6.245 -4.808 2.522 1.00 0.81 C ATOM 240 CD1 PHE A 16 7.531 -5.378 2.532 1.00 1.45 C ATOM 241 CD2 PHE A 16 5.766 -4.193 1.351 1.00 2.13 C ATOM 242 CE1 PHE A 16 8.321 -5.358 1.375 1.00 1.44 C ATOM 243 CE2 PHE A 16 6.579 -4.135 0.200 1.00 2.20 C ATOM 244 CZ PHE A 16 7.852 -4.729 0.210 1.00 0.98 C ATOM 0 H PHE A 16 4.234 -5.065 5.890 1.00 0.58 H new ATOM 0 HA PHE A 16 3.997 -6.383 3.321 1.00 0.60 H new ATOM 0 HB2 PHE A 16 4.672 -4.013 3.716 1.00 0.73 H new ATOM 0 HB3 PHE A 16 6.065 -4.558 4.628 1.00 0.73 H new ATOM 0 HD1 PHE A 16 7.911 -5.833 3.435 1.00 1.45 H new ATOM 0 HD2 PHE A 16 4.775 -3.765 1.333 1.00 2.13 H new ATOM 0 HE1 PHE A 16 9.294 -5.828 1.379 1.00 1.44 H new ATOM 0 HE2 PHE A 16 6.223 -3.634 -0.688 1.00 2.20 H new ATOM 0 HZ PHE A 16 8.469 -4.702 -0.676 1.00 0.98 H new ATOM 254 N HIS A 17 6.224 -7.585 5.402 1.00 0.83 N ATOM 255 CA HIS A 17 6.962 -8.827 5.653 1.00 0.91 C ATOM 256 C HIS A 17 6.037 -10.056 5.563 1.00 0.94 C ATOM 257 O HIS A 17 6.428 -11.080 5.005 1.00 1.10 O ATOM 258 CB HIS A 17 7.693 -8.743 7.000 1.00 0.97 C ATOM 259 CG HIS A 17 8.837 -7.748 7.029 1.00 2.69 C ATOM 260 ND1 HIS A 17 9.502 -7.317 8.157 1.00 4.23 N ATOM 261 CD2 HIS A 17 9.381 -7.063 5.970 1.00 3.80 C ATOM 262 CE1 HIS A 17 10.404 -6.397 7.782 1.00 5.77 C ATOM 263 NE2 HIS A 17 10.368 -6.208 6.459 1.00 5.56 N ATOM 0 H HIS A 17 6.201 -6.946 6.197 1.00 0.83 H new ATOM 0 HA HIS A 17 7.715 -8.952 4.875 1.00 0.91 H new ATOM 0 HB2 HIS A 17 6.974 -8.475 7.774 1.00 0.97 H new ATOM 0 HB3 HIS A 17 8.079 -9.730 7.252 1.00 0.97 H new ATOM 0 HD2 HIS A 17 9.093 -7.169 4.934 1.00 3.80 H new ATOM 0 HE1 HIS A 17 11.069 -5.879 8.457 1.00 5.77 H new ATOM 0 HE2 HIS A 17 10.947 -5.567 5.916 1.00 5.56 H new ATOM 272 N LYS A 18 4.788 -9.960 6.027 1.00 0.88 N ATOM 273 CA LYS A 18 3.837 -11.080 6.042 1.00 0.95 C ATOM 274 C LYS A 18 3.487 -11.635 4.642 1.00 0.78 C ATOM 275 O LYS A 18 3.124 -12.807 4.541 1.00 0.99 O ATOM 276 CB LYS A 18 2.608 -10.628 6.852 1.00 1.11 C ATOM 277 CG LYS A 18 1.613 -11.744 7.207 1.00 1.32 C ATOM 278 CD LYS A 18 0.350 -11.626 6.349 1.00 1.87 C ATOM 279 CE LYS A 18 -0.699 -12.659 6.751 1.00 2.37 C ATOM 280 NZ LYS A 18 -1.971 -12.380 6.052 1.00 3.50 N ATOM 0 H LYS A 18 4.403 -9.095 6.407 1.00 0.88 H new ATOM 0 HA LYS A 18 4.303 -11.940 6.523 1.00 0.95 H new ATOM 0 HB2 LYS A 18 2.952 -10.163 7.776 1.00 1.11 H new ATOM 0 HB3 LYS A 18 2.081 -9.860 6.285 1.00 1.11 H new ATOM 0 HG2 LYS A 18 2.077 -12.718 7.050 1.00 1.32 H new ATOM 0 HG3 LYS A 18 1.350 -11.683 8.263 1.00 1.32 H new ATOM 0 HD2 LYS A 18 -0.067 -10.624 6.450 1.00 1.87 H new ATOM 0 HD3 LYS A 18 0.609 -11.759 5.299 1.00 1.87 H new ATOM 0 HE2 LYS A 18 -0.349 -13.661 6.503 1.00 2.37 H new ATOM 0 HE3 LYS A 18 -0.853 -12.633 7.830 1.00 2.37 H new ATOM 0 HZ1 LYS A 18 -2.672 -13.106 6.303 1.00 3.50 H new ATOM 0 HZ2 LYS A 18 -2.325 -11.444 6.336 1.00 3.50 H new ATOM 0 HZ3 LYS A 18 -1.812 -12.393 5.024 1.00 3.50 H new ATOM 294 N TYR A 19 3.651 -10.857 3.563 1.00 0.56 N ATOM 295 CA TYR A 19 3.441 -11.276 2.161 1.00 0.55 C ATOM 296 C TYR A 19 4.763 -11.365 1.353 1.00 0.69 C ATOM 297 O TYR A 19 4.745 -11.469 0.132 1.00 1.40 O ATOM 298 CB TYR A 19 2.428 -10.328 1.480 1.00 0.53 C ATOM 299 CG TYR A 19 1.003 -10.343 2.012 1.00 0.52 C ATOM 300 CD1 TYR A 19 0.748 -9.746 3.256 1.00 1.79 C ATOM 301 CD2 TYR A 19 -0.084 -10.861 1.270 1.00 1.70 C ATOM 302 CE1 TYR A 19 -0.541 -9.719 3.798 1.00 1.87 C ATOM 303 CE2 TYR A 19 -1.392 -10.826 1.796 1.00 1.67 C ATOM 304 CZ TYR A 19 -1.617 -10.291 3.084 1.00 0.65 C ATOM 305 OH TYR A 19 -2.862 -10.346 3.621 1.00 0.79 O ATOM 0 H TYR A 19 3.944 -9.883 3.640 1.00 0.56 H new ATOM 0 HA TYR A 19 3.033 -12.287 2.176 1.00 0.55 H new ATOM 0 HB2 TYR A 19 2.809 -9.310 1.561 1.00 0.53 H new ATOM 0 HB3 TYR A 19 2.396 -10.573 0.418 1.00 0.53 H new ATOM 0 HD1 TYR A 19 1.563 -9.299 3.806 1.00 1.79 H new ATOM 0 HD2 TYR A 19 0.089 -11.287 0.293 1.00 1.70 H new ATOM 0 HE1 TYR A 19 -0.713 -9.261 4.761 1.00 1.87 H new ATOM 0 HE2 TYR A 19 -2.219 -11.207 1.216 1.00 1.67 H new ATOM 0 HH TYR A 19 -2.796 -10.376 4.598 1.00 0.79 H new ATOM 315 N SER A 20 5.931 -11.333 2.002 1.00 0.68 N ATOM 316 CA SER A 20 7.248 -11.501 1.347 1.00 0.77 C ATOM 317 C SER A 20 8.113 -12.531 2.084 1.00 0.84 C ATOM 318 O SER A 20 8.501 -13.563 1.519 1.00 1.39 O ATOM 319 CB SER A 20 7.988 -10.155 1.295 1.00 1.00 C ATOM 320 OG SER A 20 8.066 -9.521 2.561 1.00 1.37 O ATOM 0 H SER A 20 5.998 -11.188 3.009 1.00 0.68 H new ATOM 0 HA SER A 20 7.070 -11.863 0.334 1.00 0.77 H new ATOM 0 HB2 SER A 20 8.996 -10.314 0.911 1.00 1.00 H new ATOM 0 HB3 SER A 20 7.480 -9.493 0.593 1.00 1.00 H new ATOM 0 HG SER A 20 7.235 -9.031 2.733 1.00 1.37 H new ATOM 326 N GLY A 21 8.321 -12.285 3.382 1.00 1.04 N ATOM 327 CA GLY A 21 9.121 -13.046 4.337 1.00 1.48 C ATOM 328 C GLY A 21 8.724 -14.507 4.491 1.00 1.75 C ATOM 329 O GLY A 21 9.542 -15.280 4.984 1.00 2.53 O ATOM 0 H GLY A 21 7.893 -11.473 3.827 1.00 1.04 H new ATOM 0 HA2 GLY A 21 10.166 -13.000 4.030 1.00 1.48 H new ATOM 0 HA3 GLY A 21 9.053 -12.562 5.311 1.00 1.48 H new ATOM 332 N ARG A 22 7.525 -14.848 4.014 1.00 1.68 N ATOM 333 CA ARG A 22 6.963 -16.184 3.866 1.00 2.04 C ATOM 334 C ARG A 22 7.877 -17.103 3.028 1.00 2.26 C ATOM 335 O ARG A 22 8.105 -18.244 3.429 1.00 2.97 O ATOM 336 CB ARG A 22 5.521 -16.047 3.314 1.00 2.09 C ATOM 337 CG ARG A 22 5.347 -15.053 2.135 1.00 2.05 C ATOM 338 CD ARG A 22 3.979 -15.133 1.436 1.00 1.84 C ATOM 339 NE ARG A 22 3.919 -16.334 0.597 1.00 2.22 N ATOM 340 CZ ARG A 22 3.067 -16.663 -0.360 1.00 2.49 C ATOM 341 NH1 ARG A 22 2.047 -15.921 -0.722 1.00 2.51 N ATOM 342 NH2 ARG A 22 3.256 -17.790 -1.005 1.00 3.94 N ATOM 0 H ARG A 22 6.871 -14.133 3.696 1.00 1.68 H new ATOM 0 HA ARG A 22 6.905 -16.682 4.834 1.00 2.04 H new ATOM 0 HB2 ARG A 22 5.180 -17.030 2.990 1.00 2.09 H new ATOM 0 HB3 ARG A 22 4.867 -15.735 4.128 1.00 2.09 H new ATOM 0 HG2 ARG A 22 5.494 -14.039 2.506 1.00 2.05 H new ATOM 0 HG3 ARG A 22 6.129 -15.240 1.399 1.00 2.05 H new ATOM 0 HD2 ARG A 22 3.182 -15.157 2.179 1.00 1.84 H new ATOM 0 HD3 ARG A 22 3.820 -14.244 0.826 1.00 1.84 H new ATOM 0 HE ARG A 22 4.648 -17.024 0.780 1.00 2.22 H new ATOM 0 HH11 ARG A 22 1.873 -15.030 -0.256 1.00 2.51 H new ATOM 0 HH12 ARG A 22 1.428 -16.235 -1.469 1.00 2.51 H new ATOM 0 HH21 ARG A 22 4.045 -18.389 -0.764 1.00 3.94 H new ATOM 0 HH22 ARG A 22 2.613 -18.067 -1.747 1.00 3.94 H new ATOM 356 N GLU A 23 8.513 -16.579 1.970 1.00 1.97 N ATOM 357 CA GLU A 23 9.504 -17.312 1.173 1.00 2.45 C ATOM 358 C GLU A 23 10.773 -16.466 0.901 1.00 2.35 C ATOM 359 O GLU A 23 11.486 -16.097 1.838 1.00 3.24 O ATOM 360 CB GLU A 23 8.875 -17.888 -0.120 1.00 2.78 C ATOM 361 CG GLU A 23 7.907 -19.064 0.069 1.00 3.68 C ATOM 362 CD GLU A 23 6.462 -18.597 -0.013 1.00 4.33 C ATOM 363 OE1 GLU A 23 5.948 -18.088 0.999 1.00 5.34 O ATOM 364 OE2 GLU A 23 5.853 -18.680 -1.102 1.00 4.63 O ATOM 0 H GLU A 23 8.352 -15.627 1.642 1.00 1.97 H new ATOM 0 HA GLU A 23 9.836 -18.165 1.765 1.00 2.45 H new ATOM 0 HB2 GLU A 23 8.344 -17.085 -0.631 1.00 2.78 H new ATOM 0 HB3 GLU A 23 9.681 -18.209 -0.781 1.00 2.78 H new ATOM 0 HG2 GLU A 23 8.093 -19.819 -0.694 1.00 3.68 H new ATOM 0 HG3 GLU A 23 8.086 -19.536 1.035 1.00 3.68 H new ATOM 371 N GLY A 24 11.115 -16.223 -0.372 1.00 2.13 N ATOM 372 CA GLY A 24 12.481 -15.905 -0.809 1.00 2.35 C ATOM 373 C GLY A 24 12.908 -14.447 -0.671 1.00 1.94 C ATOM 374 O GLY A 24 14.084 -14.157 -0.843 1.00 2.94 O ATOM 0 H GLY A 24 10.441 -16.242 -1.137 1.00 2.13 H new ATOM 0 HA2 GLY A 24 13.176 -16.521 -0.239 1.00 2.35 H new ATOM 0 HA3 GLY A 24 12.583 -16.195 -1.855 1.00 2.35 H new ATOM 377 N SER A 25 12.004 -13.525 -0.336 1.00 1.35 N ATOM 378 CA SER A 25 12.363 -12.122 -0.096 1.00 1.26 C ATOM 379 C SER A 25 11.899 -11.661 1.291 1.00 1.10 C ATOM 380 O SER A 25 11.210 -12.381 2.010 1.00 1.97 O ATOM 381 CB SER A 25 11.806 -11.219 -1.204 1.00 1.93 C ATOM 382 OG SER A 25 12.357 -9.909 -1.113 1.00 2.87 O ATOM 0 H SER A 25 11.010 -13.725 -0.224 1.00 1.35 H new ATOM 0 HA SER A 25 13.450 -12.043 -0.118 1.00 1.26 H new ATOM 0 HB2 SER A 25 12.036 -11.648 -2.179 1.00 1.93 H new ATOM 0 HB3 SER A 25 10.720 -11.168 -1.126 1.00 1.93 H new ATOM 0 HG SER A 25 12.082 -9.384 -1.893 1.00 2.87 H new ATOM 388 N LYS A 26 12.335 -10.470 1.694 1.00 1.51 N ATOM 389 CA LYS A 26 11.827 -9.697 2.843 1.00 1.56 C ATOM 390 C LYS A 26 11.668 -8.184 2.539 1.00 1.59 C ATOM 391 O LYS A 26 10.972 -7.473 3.253 1.00 1.77 O ATOM 392 CB LYS A 26 12.766 -9.897 4.057 1.00 1.90 C ATOM 393 CG LYS A 26 12.745 -11.309 4.668 1.00 1.50 C ATOM 394 CD LYS A 26 13.765 -12.303 4.079 1.00 2.50 C ATOM 395 CE LYS A 26 13.434 -13.728 4.539 1.00 3.07 C ATOM 396 NZ LYS A 26 12.310 -14.333 3.768 1.00 4.87 N ATOM 0 H LYS A 26 13.091 -9.986 1.209 1.00 1.51 H new ATOM 0 HA LYS A 26 10.830 -10.075 3.067 1.00 1.56 H new ATOM 0 HB2 LYS A 26 13.786 -9.665 3.751 1.00 1.90 H new ATOM 0 HB3 LYS A 26 12.494 -9.178 4.830 1.00 1.90 H new ATOM 0 HG2 LYS A 26 12.924 -11.225 5.740 1.00 1.50 H new ATOM 0 HG3 LYS A 26 11.745 -11.725 4.543 1.00 1.50 H new ATOM 0 HD2 LYS A 26 13.749 -12.251 2.990 1.00 2.50 H new ATOM 0 HD3 LYS A 26 14.772 -12.034 4.397 1.00 2.50 H new ATOM 0 HE2 LYS A 26 14.320 -14.354 4.435 1.00 3.07 H new ATOM 0 HE3 LYS A 26 13.177 -13.713 5.598 1.00 3.07 H new ATOM 0 HZ1 LYS A 26 11.555 -14.620 4.423 1.00 4.87 H new ATOM 0 HZ2 LYS A 26 11.936 -13.635 3.093 1.00 4.87 H new ATOM 0 HZ3 LYS A 26 12.654 -15.166 3.249 1.00 4.87 H new ATOM 410 N LEU A 27 12.315 -7.691 1.475 1.00 1.53 N ATOM 411 CA LEU A 27 12.362 -6.301 1.009 1.00 1.63 C ATOM 412 C LEU A 27 11.411 -6.054 -0.178 1.00 1.37 C ATOM 413 O LEU A 27 11.035 -4.907 -0.418 1.00 1.39 O ATOM 414 CB LEU A 27 13.795 -6.026 0.508 1.00 2.07 C ATOM 415 CG LEU A 27 14.955 -5.988 1.520 1.00 2.57 C ATOM 416 CD1 LEU A 27 14.895 -4.747 2.418 1.00 2.83 C ATOM 417 CD2 LEU A 27 15.122 -7.241 2.393 1.00 3.23 C ATOM 0 H LEU A 27 12.862 -8.304 0.870 1.00 1.53 H new ATOM 0 HA LEU A 27 12.065 -5.654 1.835 1.00 1.63 H new ATOM 0 HB2 LEU A 27 14.034 -6.787 -0.235 1.00 2.07 H new ATOM 0 HB3 LEU A 27 13.782 -5.067 -0.011 1.00 2.07 H new ATOM 0 HG LEU A 27 15.836 -5.948 0.880 1.00 2.57 H new ATOM 0 HD11 LEU A 27 15.732 -4.762 3.116 1.00 2.83 H new ATOM 0 HD12 LEU A 27 14.952 -3.849 1.802 1.00 2.83 H new ATOM 0 HD13 LEU A 27 13.958 -4.746 2.975 1.00 2.83 H new ATOM 0 HD21 LEU A 27 15.967 -7.104 3.068 1.00 3.23 H new ATOM 0 HD22 LEU A 27 14.215 -7.402 2.976 1.00 3.23 H new ATOM 0 HD23 LEU A 27 15.302 -8.107 1.756 1.00 3.23 H new ATOM 429 N THR A 28 11.069 -7.127 -0.905 1.00 1.23 N ATOM 430 CA THR A 28 10.251 -7.126 -2.129 1.00 1.09 C ATOM 431 C THR A 28 9.170 -8.208 -2.132 1.00 0.92 C ATOM 432 O THR A 28 9.230 -9.148 -1.341 1.00 0.97 O ATOM 433 CB THR A 28 11.122 -7.287 -3.386 1.00 1.21 C ATOM 434 OG1 THR A 28 11.814 -8.514 -3.311 1.00 1.26 O ATOM 435 CG2 THR A 28 12.150 -6.167 -3.564 1.00 1.37 C ATOM 0 H THR A 28 11.369 -8.066 -0.644 1.00 1.23 H new ATOM 0 HA THR A 28 9.755 -6.155 -2.143 1.00 1.09 H new ATOM 0 HB THR A 28 10.447 -7.249 -4.241 1.00 1.21 H new ATOM 0 HG1 THR A 28 11.517 -9.102 -4.037 1.00 1.26 H new ATOM 0 HG21 THR A 28 12.729 -6.345 -4.470 1.00 1.37 H new ATOM 0 HG22 THR A 28 11.635 -5.210 -3.645 1.00 1.37 H new ATOM 0 HG23 THR A 28 12.819 -6.147 -2.704 1.00 1.37 H new ATOM 443 N LEU A 29 8.210 -8.092 -3.064 1.00 0.84 N ATOM 444 CA LEU A 29 7.119 -9.048 -3.379 1.00 0.77 C ATOM 445 C LEU A 29 6.472 -8.765 -4.755 1.00 0.84 C ATOM 446 O LEU A 29 6.774 -7.746 -5.361 1.00 0.92 O ATOM 447 CB LEU A 29 6.065 -9.105 -2.243 1.00 0.65 C ATOM 448 CG LEU A 29 5.079 -7.920 -2.155 1.00 0.61 C ATOM 449 CD1 LEU A 29 4.151 -8.132 -0.949 1.00 0.67 C ATOM 450 CD2 LEU A 29 5.775 -6.561 -2.017 1.00 0.67 C ATOM 0 H LEU A 29 8.167 -7.269 -3.665 1.00 0.84 H new ATOM 0 HA LEU A 29 7.573 -10.036 -3.448 1.00 0.77 H new ATOM 0 HB2 LEU A 29 5.487 -10.021 -2.360 1.00 0.65 H new ATOM 0 HB3 LEU A 29 6.593 -9.181 -1.292 1.00 0.65 H new ATOM 0 HG LEU A 29 4.520 -7.898 -3.091 1.00 0.61 H new ATOM 0 HD11 LEU A 29 3.451 -7.300 -0.878 1.00 0.67 H new ATOM 0 HD12 LEU A 29 3.598 -9.063 -1.075 1.00 0.67 H new ATOM 0 HD13 LEU A 29 4.746 -8.184 -0.037 1.00 0.67 H new ATOM 0 HD21 LEU A 29 5.025 -5.772 -1.960 1.00 0.67 H new ATOM 0 HD22 LEU A 29 6.380 -6.552 -1.110 1.00 0.67 H new ATOM 0 HD23 LEU A 29 6.416 -6.391 -2.882 1.00 0.67 H new ATOM 462 N SER A 30 5.606 -9.650 -5.275 1.00 0.88 N ATOM 463 CA SER A 30 5.074 -9.496 -6.649 1.00 0.91 C ATOM 464 C SER A 30 3.958 -8.443 -6.799 1.00 0.93 C ATOM 465 O SER A 30 3.263 -8.106 -5.828 1.00 0.91 O ATOM 466 CB SER A 30 4.647 -10.851 -7.256 1.00 0.97 C ATOM 467 OG SER A 30 3.242 -11.058 -7.272 1.00 1.86 O ATOM 0 H SER A 30 5.260 -10.470 -4.777 1.00 0.88 H new ATOM 0 HA SER A 30 5.915 -9.105 -7.222 1.00 0.91 H new ATOM 0 HB2 SER A 30 5.025 -10.916 -8.276 1.00 0.97 H new ATOM 0 HB3 SER A 30 5.116 -11.656 -6.690 1.00 0.97 H new ATOM 0 HG SER A 30 3.019 -11.738 -7.941 1.00 1.86 H new ATOM 473 N ARG A 31 3.729 -7.953 -8.029 1.00 1.05 N ATOM 474 CA ARG A 31 2.651 -6.986 -8.278 1.00 1.13 C ATOM 475 C ARG A 31 1.260 -7.542 -7.943 1.00 1.06 C ATOM 476 O ARG A 31 0.401 -6.761 -7.532 1.00 1.10 O ATOM 477 CB ARG A 31 2.597 -6.413 -9.705 1.00 1.43 C ATOM 478 CG ARG A 31 3.794 -6.496 -10.670 1.00 1.69 C ATOM 479 CD ARG A 31 4.783 -5.354 -10.518 1.00 1.58 C ATOM 480 NE ARG A 31 4.221 -4.066 -10.985 1.00 2.17 N ATOM 481 CZ ARG A 31 4.661 -2.850 -10.673 1.00 2.28 C ATOM 482 NH1 ARG A 31 5.749 -2.673 -9.955 1.00 2.28 N ATOM 483 NH2 ARG A 31 4.016 -1.773 -11.070 1.00 3.17 N ATOM 0 H ARG A 31 4.269 -8.208 -8.856 1.00 1.05 H new ATOM 0 HA ARG A 31 2.912 -6.173 -7.601 1.00 1.13 H new ATOM 0 HB2 ARG A 31 1.758 -6.897 -10.205 1.00 1.43 H new ATOM 0 HB3 ARG A 31 2.345 -5.357 -9.609 1.00 1.43 H new ATOM 0 HG2 ARG A 31 4.315 -7.440 -10.508 1.00 1.69 H new ATOM 0 HG3 ARG A 31 3.423 -6.509 -11.695 1.00 1.69 H new ATOM 0 HD2 ARG A 31 5.074 -5.264 -9.472 1.00 1.58 H new ATOM 0 HD3 ARG A 31 5.688 -5.581 -11.082 1.00 1.58 H new ATOM 0 HE ARG A 31 3.415 -4.116 -11.609 1.00 2.17 H new ATOM 0 HH11 ARG A 31 6.278 -3.480 -9.623 1.00 2.28 H new ATOM 0 HH12 ARG A 31 6.064 -1.729 -9.730 1.00 2.28 H new ATOM 0 HH21 ARG A 31 3.165 -1.864 -11.625 1.00 3.17 H new ATOM 0 HH22 ARG A 31 4.367 -0.848 -10.822 1.00 3.17 H new ATOM 497 N LYS A 32 1.001 -8.846 -8.120 1.00 1.04 N ATOM 498 CA LYS A 32 -0.240 -9.480 -7.658 1.00 1.03 C ATOM 499 C LYS A 32 -0.349 -9.403 -6.136 1.00 0.86 C ATOM 500 O LYS A 32 -1.334 -8.877 -5.625 1.00 0.92 O ATOM 501 CB LYS A 32 -0.302 -10.959 -8.076 1.00 1.23 C ATOM 502 CG LYS A 32 -0.456 -11.233 -9.571 1.00 1.43 C ATOM 503 CD LYS A 32 -1.710 -10.608 -10.186 1.00 2.53 C ATOM 504 CE LYS A 32 -2.090 -11.416 -11.427 1.00 3.40 C ATOM 505 NZ LYS A 32 -2.807 -10.584 -12.420 1.00 4.88 N ATOM 0 H LYS A 32 1.643 -9.487 -8.585 1.00 1.04 H new ATOM 0 HA LYS A 32 -1.067 -8.940 -8.120 1.00 1.03 H new ATOM 0 HB2 LYS A 32 0.607 -11.451 -7.730 1.00 1.23 H new ATOM 0 HB3 LYS A 32 -1.137 -11.427 -7.554 1.00 1.23 H new ATOM 0 HG2 LYS A 32 0.422 -10.853 -10.093 1.00 1.43 H new ATOM 0 HG3 LYS A 32 -0.481 -12.311 -9.733 1.00 1.43 H new ATOM 0 HD2 LYS A 32 -2.528 -10.611 -9.466 1.00 2.53 H new ATOM 0 HD3 LYS A 32 -1.524 -9.568 -10.453 1.00 2.53 H new ATOM 0 HE2 LYS A 32 -1.190 -11.831 -11.881 1.00 3.40 H new ATOM 0 HE3 LYS A 32 -2.718 -12.258 -11.136 1.00 3.40 H new ATOM 0 HZ1 LYS A 32 -3.404 -11.192 -13.016 1.00 4.88 H new ATOM 0 HZ2 LYS A 32 -3.404 -9.891 -11.926 1.00 4.88 H new ATOM 0 HZ3 LYS A 32 -2.117 -10.084 -13.016 1.00 4.88 H new ATOM 519 N GLU A 33 0.667 -9.917 -5.446 1.00 0.79 N ATOM 520 CA GLU A 33 0.651 -10.124 -4.003 1.00 0.71 C ATOM 521 C GLU A 33 0.482 -8.791 -3.250 1.00 0.68 C ATOM 522 O GLU A 33 -0.431 -8.660 -2.430 1.00 0.72 O ATOM 523 CB GLU A 33 1.946 -10.863 -3.619 1.00 0.76 C ATOM 524 CG GLU A 33 1.983 -11.315 -2.154 1.00 1.30 C ATOM 525 CD GLU A 33 1.283 -12.639 -1.829 1.00 1.82 C ATOM 526 OE1 GLU A 33 0.359 -13.054 -2.561 1.00 2.27 O ATOM 527 OE2 GLU A 33 1.680 -13.239 -0.799 1.00 2.92 O ATOM 0 H GLU A 33 1.541 -10.206 -5.885 1.00 0.79 H new ATOM 0 HA GLU A 33 -0.205 -10.733 -3.713 1.00 0.71 H new ATOM 0 HB2 GLU A 33 2.061 -11.735 -4.263 1.00 0.76 H new ATOM 0 HB3 GLU A 33 2.798 -10.210 -3.811 1.00 0.76 H new ATOM 0 HG2 GLU A 33 3.026 -11.397 -1.848 1.00 1.30 H new ATOM 0 HG3 GLU A 33 1.532 -10.532 -1.544 1.00 1.30 H new ATOM 534 N LEU A 34 1.285 -7.764 -3.568 1.00 0.64 N ATOM 535 CA LEU A 34 1.163 -6.447 -2.925 1.00 0.67 C ATOM 536 C LEU A 34 -0.205 -5.808 -3.169 1.00 0.62 C ATOM 537 O LEU A 34 -0.852 -5.308 -2.248 1.00 0.63 O ATOM 538 CB LEU A 34 2.281 -5.520 -3.435 1.00 0.79 C ATOM 539 CG LEU A 34 2.247 -4.120 -2.781 1.00 1.08 C ATOM 540 CD1 LEU A 34 2.341 -4.190 -1.249 1.00 1.40 C ATOM 541 CD2 LEU A 34 3.380 -3.254 -3.330 1.00 1.44 C ATOM 0 H LEU A 34 2.026 -7.821 -4.267 1.00 0.64 H new ATOM 0 HA LEU A 34 1.262 -6.591 -1.849 1.00 0.67 H new ATOM 0 HB2 LEU A 34 3.248 -5.984 -3.239 1.00 0.79 H new ATOM 0 HB3 LEU A 34 2.192 -5.413 -4.516 1.00 0.79 H new ATOM 0 HG LEU A 34 1.286 -3.672 -3.031 1.00 1.08 H new ATOM 0 HD11 LEU A 34 2.313 -3.182 -0.836 1.00 1.40 H new ATOM 0 HD12 LEU A 34 1.501 -4.765 -0.859 1.00 1.40 H new ATOM 0 HD13 LEU A 34 3.275 -4.673 -0.964 1.00 1.40 H new ATOM 0 HD21 LEU A 34 3.346 -2.270 -2.862 1.00 1.44 H new ATOM 0 HD22 LEU A 34 4.338 -3.727 -3.112 1.00 1.44 H new ATOM 0 HD23 LEU A 34 3.266 -3.147 -4.409 1.00 1.44 H new ATOM 553 N LYS A 35 -0.657 -5.805 -4.422 1.00 0.70 N ATOM 554 CA LYS A 35 -1.969 -5.283 -4.768 1.00 0.83 C ATOM 555 C LYS A 35 -3.095 -5.978 -3.980 1.00 0.82 C ATOM 556 O LYS A 35 -4.062 -5.324 -3.595 1.00 0.95 O ATOM 557 CB LYS A 35 -2.116 -5.429 -6.285 1.00 1.02 C ATOM 558 CG LYS A 35 -3.420 -4.808 -6.789 1.00 1.81 C ATOM 559 CD LYS A 35 -4.466 -5.869 -7.161 1.00 1.67 C ATOM 560 CE LYS A 35 -4.086 -6.362 -8.555 1.00 2.21 C ATOM 561 NZ LYS A 35 -4.803 -7.592 -8.967 1.00 2.70 N ATOM 0 H LYS A 35 -0.126 -6.162 -5.216 1.00 0.70 H new ATOM 0 HA LYS A 35 -2.056 -4.233 -4.488 1.00 0.83 H new ATOM 0 HB2 LYS A 35 -1.270 -4.952 -6.780 1.00 1.02 H new ATOM 0 HB3 LYS A 35 -2.088 -6.485 -6.553 1.00 1.02 H new ATOM 0 HG2 LYS A 35 -3.829 -4.152 -6.020 1.00 1.81 H new ATOM 0 HG3 LYS A 35 -3.211 -4.186 -7.660 1.00 1.81 H new ATOM 0 HD2 LYS A 35 -4.463 -6.689 -6.443 1.00 1.67 H new ATOM 0 HD3 LYS A 35 -5.470 -5.445 -7.157 1.00 1.67 H new ATOM 0 HE2 LYS A 35 -4.291 -5.573 -9.278 1.00 2.21 H new ATOM 0 HE3 LYS A 35 -3.013 -6.550 -8.584 1.00 2.21 H new ATOM 0 HZ1 LYS A 35 -4.472 -7.888 -9.907 1.00 2.70 H new ATOM 0 HZ2 LYS A 35 -4.616 -8.350 -8.279 1.00 2.70 H new ATOM 0 HZ3 LYS A 35 -5.825 -7.402 -9.004 1.00 2.70 H new ATOM 575 N GLU A 36 -2.948 -7.275 -3.709 1.00 0.76 N ATOM 576 CA GLU A 36 -3.922 -8.049 -2.964 1.00 0.88 C ATOM 577 C GLU A 36 -3.878 -7.695 -1.472 1.00 0.80 C ATOM 578 O GLU A 36 -4.934 -7.434 -0.903 1.00 0.92 O ATOM 579 CB GLU A 36 -3.676 -9.543 -3.218 1.00 1.07 C ATOM 580 CG GLU A 36 -4.878 -10.368 -2.774 1.00 1.41 C ATOM 581 CD GLU A 36 -6.152 -10.082 -3.589 1.00 2.08 C ATOM 582 OE1 GLU A 36 -6.050 -9.839 -4.815 1.00 2.98 O ATOM 583 OE2 GLU A 36 -7.242 -10.150 -2.966 1.00 2.54 O ATOM 0 H GLU A 36 -2.137 -7.817 -4.007 1.00 0.76 H new ATOM 0 HA GLU A 36 -4.928 -7.805 -3.307 1.00 0.88 H new ATOM 0 HB2 GLU A 36 -3.485 -9.710 -4.278 1.00 1.07 H new ATOM 0 HB3 GLU A 36 -2.786 -9.867 -2.678 1.00 1.07 H new ATOM 0 HG2 GLU A 36 -4.633 -11.427 -2.857 1.00 1.41 H new ATOM 0 HG3 GLU A 36 -5.077 -10.168 -1.721 1.00 1.41 H new ATOM 590 N LEU A 37 -2.686 -7.587 -0.858 1.00 0.70 N ATOM 591 CA LEU A 37 -2.483 -7.143 0.532 1.00 0.73 C ATOM 592 C LEU A 37 -3.198 -5.812 0.817 1.00 0.67 C ATOM 593 O LEU A 37 -3.815 -5.647 1.871 1.00 0.71 O ATOM 594 CB LEU A 37 -0.956 -7.073 0.809 1.00 0.80 C ATOM 595 CG LEU A 37 -0.476 -6.135 1.943 1.00 0.86 C ATOM 596 CD1 LEU A 37 -1.037 -6.439 3.338 1.00 1.38 C ATOM 597 CD2 LEU A 37 1.059 -6.128 2.024 1.00 1.33 C ATOM 0 H LEU A 37 -1.811 -7.813 -1.330 1.00 0.70 H new ATOM 0 HA LEU A 37 -2.932 -7.863 1.217 1.00 0.73 H new ATOM 0 HB2 LEU A 37 -0.609 -8.081 1.037 1.00 0.80 H new ATOM 0 HB3 LEU A 37 -0.461 -6.767 -0.113 1.00 0.80 H new ATOM 0 HG LEU A 37 -0.870 -5.158 1.663 1.00 0.86 H new ATOM 0 HD11 LEU A 37 -0.636 -5.723 4.055 1.00 1.38 H new ATOM 0 HD12 LEU A 37 -2.124 -6.363 3.318 1.00 1.38 H new ATOM 0 HD13 LEU A 37 -0.750 -7.448 3.634 1.00 1.38 H new ATOM 0 HD21 LEU A 37 1.378 -5.463 2.827 1.00 1.33 H new ATOM 0 HD22 LEU A 37 1.417 -7.138 2.225 1.00 1.33 H new ATOM 0 HD23 LEU A 37 1.472 -5.778 1.078 1.00 1.33 H new ATOM 609 N ILE A 38 -3.159 -4.875 -0.130 1.00 0.65 N ATOM 610 CA ILE A 38 -3.818 -3.559 -0.043 1.00 0.70 C ATOM 611 C ILE A 38 -5.355 -3.651 -0.060 1.00 0.80 C ATOM 612 O ILE A 38 -6.017 -2.724 0.385 1.00 1.08 O ATOM 613 CB ILE A 38 -3.224 -2.635 -1.134 1.00 0.70 C ATOM 614 CG1 ILE A 38 -1.726 -2.383 -0.829 1.00 0.78 C ATOM 615 CG2 ILE A 38 -3.963 -1.286 -1.255 1.00 0.83 C ATOM 616 CD1 ILE A 38 -0.938 -1.923 -2.056 1.00 0.90 C ATOM 0 H ILE A 38 -2.655 -5.008 -1.007 1.00 0.65 H new ATOM 0 HA ILE A 38 -3.608 -3.113 0.929 1.00 0.70 H new ATOM 0 HB ILE A 38 -3.345 -3.146 -2.089 1.00 0.70 H new ATOM 0 HG12 ILE A 38 -1.642 -1.630 -0.046 1.00 0.78 H new ATOM 0 HG13 ILE A 38 -1.281 -3.299 -0.440 1.00 0.78 H new ATOM 0 HG21 ILE A 38 -3.498 -0.685 -2.037 1.00 0.83 H new ATOM 0 HG22 ILE A 38 -5.008 -1.465 -1.508 1.00 0.83 H new ATOM 0 HG23 ILE A 38 -3.906 -0.753 -0.306 1.00 0.83 H new ATOM 0 HD11 ILE A 38 0.104 -1.763 -1.780 1.00 0.90 H new ATOM 0 HD12 ILE A 38 -0.995 -2.686 -2.832 1.00 0.90 H new ATOM 0 HD13 ILE A 38 -1.361 -0.991 -2.432 1.00 0.90 H new ATOM 628 N LYS A 39 -5.938 -4.762 -0.518 1.00 0.75 N ATOM 629 CA LYS A 39 -7.349 -5.124 -0.324 1.00 0.85 C ATOM 630 C LYS A 39 -7.597 -6.320 0.639 1.00 0.82 C ATOM 631 O LYS A 39 -8.725 -6.812 0.738 1.00 1.03 O ATOM 632 CB LYS A 39 -8.006 -5.238 -1.709 1.00 1.13 C ATOM 633 CG LYS A 39 -8.832 -3.949 -1.833 1.00 1.74 C ATOM 634 CD LYS A 39 -9.399 -3.627 -3.190 1.00 1.82 C ATOM 635 CE LYS A 39 -10.636 -4.470 -3.491 1.00 2.40 C ATOM 636 NZ LYS A 39 -11.439 -3.883 -4.593 1.00 3.52 N ATOM 0 H LYS A 39 -5.424 -5.461 -1.054 1.00 0.75 H new ATOM 0 HA LYS A 39 -7.847 -4.327 0.228 1.00 0.85 H new ATOM 0 HB2 LYS A 39 -7.260 -5.312 -2.500 1.00 1.13 H new ATOM 0 HB3 LYS A 39 -8.636 -6.125 -1.781 1.00 1.13 H new ATOM 0 HG2 LYS A 39 -9.659 -4.008 -1.126 1.00 1.74 H new ATOM 0 HG3 LYS A 39 -8.205 -3.114 -1.521 1.00 1.74 H new ATOM 0 HD2 LYS A 39 -9.658 -2.569 -3.236 1.00 1.82 H new ATOM 0 HD3 LYS A 39 -8.642 -3.804 -3.954 1.00 1.82 H new ATOM 0 HE2 LYS A 39 -10.332 -5.482 -3.760 1.00 2.40 H new ATOM 0 HE3 LYS A 39 -11.250 -4.550 -2.594 1.00 2.40 H new ATOM 0 HZ1 LYS A 39 -12.173 -4.559 -4.886 1.00 3.52 H new ATOM 0 HZ2 LYS A 39 -11.889 -3.005 -4.265 1.00 3.52 H new ATOM 0 HZ3 LYS A 39 -10.819 -3.673 -5.401 1.00 3.52 H new ATOM 650 N LYS A 40 -6.571 -6.807 1.352 1.00 0.75 N ATOM 651 CA LYS A 40 -6.715 -7.714 2.505 1.00 0.85 C ATOM 652 C LYS A 40 -6.658 -6.964 3.848 1.00 0.92 C ATOM 653 O LYS A 40 -7.508 -7.164 4.714 1.00 1.12 O ATOM 654 CB LYS A 40 -5.616 -8.790 2.519 1.00 0.87 C ATOM 655 CG LYS A 40 -5.570 -9.818 1.388 1.00 1.22 C ATOM 656 CD LYS A 40 -6.911 -10.200 0.762 1.00 1.19 C ATOM 657 CE LYS A 40 -6.769 -11.545 0.041 1.00 1.59 C ATOM 658 NZ LYS A 40 -7.864 -11.766 -0.932 1.00 2.14 N ATOM 0 H LYS A 40 -5.599 -6.579 1.141 1.00 0.75 H new ATOM 0 HA LYS A 40 -7.694 -8.179 2.390 1.00 0.85 H new ATOM 0 HB2 LYS A 40 -4.654 -8.278 2.537 1.00 0.87 H new ATOM 0 HB3 LYS A 40 -5.703 -9.337 3.458 1.00 0.87 H new ATOM 0 HG2 LYS A 40 -4.923 -9.431 0.601 1.00 1.22 H new ATOM 0 HG3 LYS A 40 -5.100 -10.725 1.769 1.00 1.22 H new ATOM 0 HD2 LYS A 40 -7.679 -10.267 1.532 1.00 1.19 H new ATOM 0 HD3 LYS A 40 -7.230 -9.430 0.060 1.00 1.19 H new ATOM 0 HE2 LYS A 40 -5.810 -11.581 -0.476 1.00 1.59 H new ATOM 0 HE3 LYS A 40 -6.766 -12.352 0.774 1.00 1.59 H new ATOM 0 HZ1 LYS A 40 -7.771 -12.714 -1.350 1.00 2.14 H new ATOM 0 HZ2 LYS A 40 -8.781 -11.690 -0.446 1.00 2.14 H new ATOM 0 HZ3 LYS A 40 -7.810 -11.050 -1.684 1.00 2.14 H new ATOM 672 N GLU A 41 -5.591 -6.178 4.042 1.00 0.87 N ATOM 673 CA GLU A 41 -5.177 -5.620 5.339 1.00 1.01 C ATOM 674 C GLU A 41 -5.095 -4.080 5.335 1.00 1.33 C ATOM 675 O GLU A 41 -4.944 -3.481 6.402 1.00 1.81 O ATOM 676 CB GLU A 41 -3.872 -6.284 5.844 1.00 1.46 C ATOM 677 CG GLU A 41 -3.942 -7.816 5.686 1.00 2.64 C ATOM 678 CD GLU A 41 -2.857 -8.657 6.351 1.00 3.82 C ATOM 679 OE1 GLU A 41 -1.883 -8.141 6.921 1.00 4.15 O ATOM 680 OE2 GLU A 41 -2.958 -9.897 6.183 1.00 5.20 O ATOM 0 H GLU A 41 -4.972 -5.904 3.279 1.00 0.87 H new ATOM 0 HA GLU A 41 -5.963 -5.864 6.053 1.00 1.01 H new ATOM 0 HB2 GLU A 41 -3.021 -5.895 5.286 1.00 1.46 H new ATOM 0 HB3 GLU A 41 -3.710 -6.029 6.891 1.00 1.46 H new ATOM 0 HG2 GLU A 41 -4.905 -8.148 6.074 1.00 2.64 H new ATOM 0 HG3 GLU A 41 -3.933 -8.042 4.620 1.00 2.64 H new ATOM 687 N LEU A 42 -5.320 -3.418 4.193 1.00 1.32 N ATOM 688 CA LEU A 42 -6.351 -2.396 4.086 1.00 1.18 C ATOM 689 C LEU A 42 -7.671 -3.052 3.642 1.00 1.32 C ATOM 690 O LEU A 42 -7.670 -4.137 3.066 1.00 1.89 O ATOM 691 CB LEU A 42 -5.907 -1.341 3.063 1.00 1.07 C ATOM 692 CG LEU A 42 -5.612 0.048 3.623 1.00 1.18 C ATOM 693 CD1 LEU A 42 -6.869 0.732 4.190 1.00 2.01 C ATOM 694 CD2 LEU A 42 -4.491 0.041 4.663 1.00 2.90 C ATOM 0 H LEU A 42 -4.797 -3.578 3.332 1.00 1.32 H new ATOM 0 HA LEU A 42 -6.504 -1.913 5.051 1.00 1.18 H new ATOM 0 HB2 LEU A 42 -5.012 -1.706 2.559 1.00 1.07 H new ATOM 0 HB3 LEU A 42 -6.685 -1.248 2.305 1.00 1.07 H new ATOM 0 HG LEU A 42 -5.266 0.635 2.772 1.00 1.18 H new ATOM 0 HD11 LEU A 42 -6.605 1.717 4.576 1.00 2.01 H new ATOM 0 HD12 LEU A 42 -7.613 0.839 3.400 1.00 2.01 H new ATOM 0 HD13 LEU A 42 -7.281 0.125 4.996 1.00 2.01 H new ATOM 0 HD21 LEU A 42 -4.325 1.055 5.026 1.00 2.90 H new ATOM 0 HD22 LEU A 42 -4.773 -0.601 5.497 1.00 2.90 H new ATOM 0 HD23 LEU A 42 -3.575 -0.336 4.208 1.00 2.90 H new ATOM 706 N CYS A 43 -8.787 -2.357 3.879 1.00 1.30 N ATOM 707 CA CYS A 43 -10.080 -2.682 3.272 1.00 1.47 C ATOM 708 C CYS A 43 -10.177 -2.084 1.874 1.00 2.07 C ATOM 709 O CYS A 43 -10.006 -2.776 0.881 1.00 3.59 O ATOM 710 CB CYS A 43 -11.214 -2.273 4.225 1.00 1.88 C ATOM 711 SG CYS A 43 -12.800 -2.730 3.466 1.00 2.40 S ATOM 0 H CYS A 43 -8.819 -1.549 4.501 1.00 1.30 H new ATOM 0 HA CYS A 43 -10.179 -3.758 3.129 1.00 1.47 H new ATOM 0 HB2 CYS A 43 -11.098 -2.771 5.188 1.00 1.88 H new ATOM 0 HB3 CYS A 43 -11.180 -1.200 4.415 1.00 1.88 H new ATOM 0 HG CYS A 43 -13.376 -3.647 4.184 1.00 2.40 H new ATOM 717 N LEU A 44 -10.459 -0.793 1.819 1.00 1.89 N ATOM 718 CA LEU A 44 -10.404 0.048 0.641 1.00 2.66 C ATOM 719 C LEU A 44 -11.322 -0.291 -0.543 1.00 3.15 C ATOM 720 O LEU A 44 -11.303 0.407 -1.549 1.00 4.10 O ATOM 721 CB LEU A 44 -8.947 0.305 0.239 1.00 3.21 C ATOM 722 CG LEU A 44 -8.788 1.800 -0.057 1.00 2.95 C ATOM 723 CD1 LEU A 44 -8.694 2.594 1.256 1.00 2.86 C ATOM 724 CD2 LEU A 44 -7.555 1.988 -0.939 1.00 4.25 C ATOM 0 H LEU A 44 -10.750 -0.275 2.648 1.00 1.89 H new ATOM 0 HA LEU A 44 -10.867 0.980 0.964 1.00 2.66 H new ATOM 0 HB2 LEU A 44 -8.273 0.002 1.040 1.00 3.21 H new ATOM 0 HB3 LEU A 44 -8.685 -0.286 -0.638 1.00 3.21 H new ATOM 0 HG LEU A 44 -9.658 2.182 -0.591 1.00 2.95 H new ATOM 0 HD11 LEU A 44 -8.581 3.655 1.032 1.00 2.86 H new ATOM 0 HD12 LEU A 44 -9.602 2.441 1.840 1.00 2.86 H new ATOM 0 HD13 LEU A 44 -7.832 2.250 1.828 1.00 2.86 H new ATOM 0 HD21 LEU A 44 -7.425 3.047 -1.161 1.00 4.25 H new ATOM 0 HD22 LEU A 44 -6.674 1.616 -0.417 1.00 4.25 H new ATOM 0 HD23 LEU A 44 -7.686 1.436 -1.870 1.00 4.25 H new ATOM 736 N GLY A 45 -12.226 -1.247 -0.329 1.00 2.84 N ATOM 737 CA GLY A 45 -13.624 -1.095 -0.745 1.00 3.07 C ATOM 738 C GLY A 45 -14.302 0.028 0.049 1.00 2.97 C ATOM 739 O GLY A 45 -13.630 0.921 0.560 1.00 4.34 O ATOM 0 H GLY A 45 -12.018 -2.134 0.129 1.00 2.84 H new ATOM 0 HA2 GLY A 45 -13.670 -0.873 -1.811 1.00 3.07 H new ATOM 0 HA3 GLY A 45 -14.159 -2.032 -0.591 1.00 3.07 H new ATOM 742 N GLU A 46 -15.633 -0.026 0.171 1.00 2.70 N ATOM 743 CA GLU A 46 -16.482 0.836 1.025 1.00 3.40 C ATOM 744 C GLU A 46 -16.297 2.364 0.823 1.00 3.07 C ATOM 745 O GLU A 46 -16.773 3.163 1.629 1.00 4.16 O ATOM 746 CB GLU A 46 -16.417 0.394 2.514 1.00 4.41 C ATOM 747 CG GLU A 46 -15.016 0.465 3.148 1.00 4.47 C ATOM 748 CD GLU A 46 -14.938 0.240 4.658 1.00 5.70 C ATOM 749 OE1 GLU A 46 -15.889 -0.270 5.297 1.00 6.48 O ATOM 750 OE2 GLU A 46 -13.871 0.530 5.247 1.00 6.55 O ATOM 0 H GLU A 46 -16.185 -0.708 -0.349 1.00 2.70 H new ATOM 0 HA GLU A 46 -17.502 0.672 0.676 1.00 3.40 H new ATOM 0 HB2 GLU A 46 -17.095 1.020 3.094 1.00 4.41 H new ATOM 0 HB3 GLU A 46 -16.784 -0.630 2.591 1.00 4.41 H new ATOM 0 HG2 GLU A 46 -14.383 -0.276 2.660 1.00 4.47 H new ATOM 0 HG3 GLU A 46 -14.591 1.444 2.927 1.00 4.47 H new ATOM 757 N MET A 47 -15.604 2.791 -0.240 1.00 2.14 N ATOM 758 CA MET A 47 -15.064 4.130 -0.410 1.00 2.03 C ATOM 759 C MET A 47 -14.667 4.440 -1.868 1.00 1.88 C ATOM 760 O MET A 47 -15.197 3.876 -2.823 1.00 2.80 O ATOM 761 CB MET A 47 -13.878 4.291 0.555 1.00 2.27 C ATOM 762 CG MET A 47 -13.837 5.739 1.033 1.00 2.94 C ATOM 763 SD MET A 47 -12.194 6.486 1.123 1.00 3.55 S ATOM 764 CE MET A 47 -11.397 5.252 2.178 1.00 2.38 C ATOM 0 H MET A 47 -15.400 2.182 -1.033 1.00 2.14 H new ATOM 0 HA MET A 47 -15.841 4.857 -0.173 1.00 2.03 H new ATOM 0 HB2 MET A 47 -13.985 3.615 1.403 1.00 2.27 H new ATOM 0 HB3 MET A 47 -12.945 4.030 0.055 1.00 2.27 H new ATOM 0 HG2 MET A 47 -14.454 6.341 0.365 1.00 2.94 H new ATOM 0 HG3 MET A 47 -14.294 5.790 2.021 1.00 2.94 H new ATOM 0 HE1 MET A 47 -10.447 5.643 2.541 1.00 2.38 H new ATOM 0 HE2 MET A 47 -12.044 5.026 3.026 1.00 2.38 H new ATOM 0 HE3 MET A 47 -11.220 4.343 1.604 1.00 2.38 H new ATOM 774 N LYS A 48 -13.721 5.358 -2.080 1.00 1.86 N ATOM 775 CA LYS A 48 -13.282 5.814 -3.406 1.00 1.75 C ATOM 776 C LYS A 48 -12.332 4.811 -4.100 1.00 2.15 C ATOM 777 O LYS A 48 -11.135 5.058 -4.223 1.00 3.26 O ATOM 778 CB LYS A 48 -12.749 7.247 -3.277 1.00 2.58 C ATOM 779 CG LYS A 48 -13.954 8.216 -3.292 1.00 3.63 C ATOM 780 CD LYS A 48 -13.787 9.410 -2.359 1.00 4.28 C ATOM 781 CE LYS A 48 -12.912 10.532 -2.940 1.00 5.32 C ATOM 782 NZ LYS A 48 -12.759 11.658 -1.986 1.00 6.30 N ATOM 0 H LYS A 48 -13.225 5.818 -1.317 1.00 1.86 H new ATOM 0 HA LYS A 48 -14.128 5.846 -4.092 1.00 1.75 H new ATOM 0 HB2 LYS A 48 -12.183 7.360 -2.353 1.00 2.58 H new ATOM 0 HB3 LYS A 48 -12.069 7.474 -4.098 1.00 2.58 H new ATOM 0 HG2 LYS A 48 -14.106 8.578 -4.309 1.00 3.63 H new ATOM 0 HG3 LYS A 48 -14.854 7.669 -3.011 1.00 3.63 H new ATOM 0 HD2 LYS A 48 -14.771 9.815 -2.122 1.00 4.28 H new ATOM 0 HD3 LYS A 48 -13.349 9.068 -1.421 1.00 4.28 H new ATOM 0 HE2 LYS A 48 -11.930 10.133 -3.193 1.00 5.32 H new ATOM 0 HE3 LYS A 48 -13.356 10.897 -3.866 1.00 5.32 H new ATOM 0 HZ1 LYS A 48 -12.122 12.373 -2.392 1.00 6.30 H new ATOM 0 HZ2 LYS A 48 -13.689 12.087 -1.803 1.00 6.30 H new ATOM 0 HZ3 LYS A 48 -12.359 11.305 -1.093 1.00 6.30 H new ATOM 796 N GLU A 49 -12.893 3.684 -4.559 1.00 2.69 N ATOM 797 CA GLU A 49 -12.227 2.677 -5.408 1.00 3.53 C ATOM 798 C GLU A 49 -11.976 3.168 -6.850 1.00 2.65 C ATOM 799 O GLU A 49 -11.043 2.724 -7.520 1.00 3.01 O ATOM 800 CB GLU A 49 -13.072 1.387 -5.472 1.00 5.15 C ATOM 801 CG GLU A 49 -12.987 0.581 -4.175 1.00 6.88 C ATOM 802 CD GLU A 49 -13.752 -0.741 -4.265 1.00 8.45 C ATOM 803 OE1 GLU A 49 -14.993 -0.713 -4.136 1.00 8.77 O ATOM 804 OE2 GLU A 49 -13.084 -1.797 -4.401 1.00 9.77 O ATOM 0 H GLU A 49 -13.859 3.436 -4.343 1.00 2.69 H new ATOM 0 HA GLU A 49 -11.259 2.487 -4.945 1.00 3.53 H new ATOM 0 HB2 GLU A 49 -14.112 1.645 -5.671 1.00 5.15 H new ATOM 0 HB3 GLU A 49 -12.731 0.771 -6.304 1.00 5.15 H new ATOM 0 HG2 GLU A 49 -11.941 0.379 -3.943 1.00 6.88 H new ATOM 0 HG3 GLU A 49 -13.387 1.175 -3.353 1.00 6.88 H new ATOM 811 N SER A 50 -12.799 4.076 -7.377 1.00 2.38 N ATOM 812 CA SER A 50 -12.599 4.615 -8.721 1.00 2.17 C ATOM 813 C SER A 50 -11.297 5.429 -8.838 1.00 1.92 C ATOM 814 O SER A 50 -10.918 6.152 -7.921 1.00 2.68 O ATOM 815 CB SER A 50 -13.809 5.457 -9.145 1.00 2.85 C ATOM 816 OG SER A 50 -15.035 4.776 -8.916 1.00 4.20 O ATOM 0 H SER A 50 -13.612 4.454 -6.891 1.00 2.38 H new ATOM 0 HA SER A 50 -12.503 3.767 -9.399 1.00 2.17 H new ATOM 0 HB2 SER A 50 -13.808 6.398 -8.594 1.00 2.85 H new ATOM 0 HB3 SER A 50 -13.725 5.707 -10.203 1.00 2.85 H new ATOM 0 HG SER A 50 -15.782 5.344 -9.197 1.00 4.20 H new ATOM 822 N SER A 51 -10.599 5.288 -9.968 1.00 2.03 N ATOM 823 CA SER A 51 -9.270 5.869 -10.274 1.00 2.19 C ATOM 824 C SER A 51 -8.136 5.128 -9.560 1.00 1.88 C ATOM 825 O SER A 51 -7.112 4.870 -10.187 1.00 2.29 O ATOM 826 CB SER A 51 -9.169 7.371 -9.940 1.00 2.61 C ATOM 827 OG SER A 51 -10.252 8.124 -10.462 1.00 3.64 O ATOM 0 H SER A 51 -10.959 4.735 -10.745 1.00 2.03 H new ATOM 0 HA SER A 51 -9.160 5.750 -11.352 1.00 2.19 H new ATOM 0 HB2 SER A 51 -9.133 7.496 -8.858 1.00 2.61 H new ATOM 0 HB3 SER A 51 -8.234 7.765 -10.337 1.00 2.61 H new ATOM 0 HG SER A 51 -10.141 9.067 -10.221 1.00 3.64 H new ATOM 833 N ILE A 52 -8.300 4.746 -8.285 1.00 1.48 N ATOM 834 CA ILE A 52 -7.267 3.960 -7.586 1.00 1.44 C ATOM 835 C ILE A 52 -7.137 2.530 -8.119 1.00 1.07 C ATOM 836 O ILE A 52 -6.065 1.947 -7.988 1.00 1.17 O ATOM 837 CB ILE A 52 -7.336 4.069 -6.042 1.00 1.93 C ATOM 838 CG1 ILE A 52 -8.519 3.390 -5.323 1.00 2.27 C ATOM 839 CG2 ILE A 52 -7.305 5.554 -5.630 1.00 2.74 C ATOM 840 CD1 ILE A 52 -8.450 1.858 -5.259 1.00 2.15 C ATOM 0 H ILE A 52 -9.123 4.963 -7.723 1.00 1.48 H new ATOM 0 HA ILE A 52 -6.318 4.434 -7.837 1.00 1.44 H new ATOM 0 HB ILE A 52 -6.462 3.506 -5.715 1.00 1.93 H new ATOM 0 HG12 ILE A 52 -8.577 3.778 -4.306 1.00 2.27 H new ATOM 0 HG13 ILE A 52 -9.442 3.676 -5.827 1.00 2.27 H new ATOM 0 HG21 ILE A 52 -7.354 5.631 -4.544 1.00 2.74 H new ATOM 0 HG22 ILE A 52 -6.381 6.011 -5.985 1.00 2.74 H new ATOM 0 HG23 ILE A 52 -8.158 6.071 -6.069 1.00 2.74 H new ATOM 0 HD11 ILE A 52 -9.326 1.476 -4.735 1.00 2.15 H new ATOM 0 HD12 ILE A 52 -8.427 1.452 -6.270 1.00 2.15 H new ATOM 0 HD13 ILE A 52 -7.548 1.556 -4.726 1.00 2.15 H new ATOM 852 N ASP A 53 -8.166 1.988 -8.783 1.00 1.01 N ATOM 853 CA ASP A 53 -8.061 0.706 -9.487 1.00 1.13 C ATOM 854 C ASP A 53 -7.154 0.758 -10.724 1.00 1.00 C ATOM 855 O ASP A 53 -6.576 -0.273 -11.038 1.00 1.06 O ATOM 856 CB ASP A 53 -9.438 0.127 -9.843 1.00 1.63 C ATOM 857 CG ASP A 53 -9.368 -1.363 -10.257 1.00 2.39 C ATOM 858 OD1 ASP A 53 -8.650 -2.148 -9.589 1.00 3.75 O ATOM 859 OD2 ASP A 53 -10.072 -1.738 -11.222 1.00 2.66 O ATOM 0 H ASP A 53 -9.087 2.422 -8.847 1.00 1.01 H new ATOM 0 HA ASP A 53 -7.581 0.031 -8.778 1.00 1.13 H new ATOM 0 HB2 ASP A 53 -10.104 0.231 -8.987 1.00 1.63 H new ATOM 0 HB3 ASP A 53 -9.872 0.707 -10.658 1.00 1.63 H new ATOM 864 N ASP A 54 -6.932 1.902 -11.400 1.00 1.05 N ATOM 865 CA ASP A 54 -5.853 1.925 -12.412 1.00 1.20 C ATOM 866 C ASP A 54 -4.486 1.774 -11.745 1.00 0.98 C ATOM 867 O ASP A 54 -3.616 1.102 -12.279 1.00 1.02 O ATOM 868 CB ASP A 54 -5.778 3.128 -13.363 1.00 1.65 C ATOM 869 CG ASP A 54 -4.590 2.881 -14.341 1.00 2.05 C ATOM 870 OD1 ASP A 54 -4.659 1.958 -15.200 1.00 3.04 O ATOM 871 OD2 ASP A 54 -3.513 3.488 -14.147 1.00 2.27 O ATOM 0 H ASP A 54 -7.448 2.773 -11.278 1.00 1.05 H new ATOM 0 HA ASP A 54 -6.123 1.080 -13.045 1.00 1.20 H new ATOM 0 HB2 ASP A 54 -6.712 3.239 -13.915 1.00 1.65 H new ATOM 0 HB3 ASP A 54 -5.627 4.051 -12.802 1.00 1.65 H new ATOM 876 N LEU A 55 -4.295 2.358 -10.563 1.00 0.86 N ATOM 877 CA LEU A 55 -3.049 2.197 -9.814 1.00 0.80 C ATOM 878 C LEU A 55 -2.866 0.715 -9.457 1.00 0.78 C ATOM 879 O LEU A 55 -1.814 0.144 -9.751 1.00 0.84 O ATOM 880 CB LEU A 55 -3.016 3.149 -8.602 1.00 0.86 C ATOM 881 CG LEU A 55 -3.269 4.627 -8.965 1.00 1.11 C ATOM 882 CD1 LEU A 55 -3.428 5.459 -7.690 1.00 1.41 C ATOM 883 CD2 LEU A 55 -2.149 5.204 -9.845 1.00 1.23 C ATOM 0 H LEU A 55 -4.988 2.948 -10.103 1.00 0.86 H new ATOM 0 HA LEU A 55 -2.192 2.483 -10.424 1.00 0.80 H new ATOM 0 HB2 LEU A 55 -3.766 2.828 -7.879 1.00 0.86 H new ATOM 0 HB3 LEU A 55 -2.046 3.066 -8.112 1.00 0.86 H new ATOM 0 HG LEU A 55 -4.191 4.673 -9.544 1.00 1.11 H new ATOM 0 HD11 LEU A 55 -3.606 6.501 -7.955 1.00 1.41 H new ATOM 0 HD12 LEU A 55 -4.272 5.082 -7.113 1.00 1.41 H new ATOM 0 HD13 LEU A 55 -2.519 5.387 -7.093 1.00 1.41 H new ATOM 0 HD21 LEU A 55 -2.368 6.246 -10.076 1.00 1.23 H new ATOM 0 HD22 LEU A 55 -1.200 5.142 -9.313 1.00 1.23 H new ATOM 0 HD23 LEU A 55 -2.083 4.633 -10.771 1.00 1.23 H new ATOM 895 N MET A 56 -3.917 0.049 -8.955 1.00 0.82 N ATOM 896 CA MET A 56 -3.928 -1.405 -8.712 1.00 1.00 C ATOM 897 C MET A 56 -3.734 -2.222 -9.997 1.00 1.05 C ATOM 898 O MET A 56 -3.066 -3.259 -9.980 1.00 1.21 O ATOM 899 CB MET A 56 -5.241 -1.803 -8.019 1.00 1.21 C ATOM 900 CG MET A 56 -5.386 -1.128 -6.648 1.00 1.42 C ATOM 901 SD MET A 56 -6.762 -1.736 -5.638 1.00 2.34 S ATOM 902 CE MET A 56 -5.949 -3.178 -4.908 1.00 1.68 C ATOM 0 H MET A 56 -4.793 0.508 -8.703 1.00 0.82 H new ATOM 0 HA MET A 56 -3.082 -1.634 -8.065 1.00 1.00 H new ATOM 0 HB2 MET A 56 -6.085 -1.527 -8.652 1.00 1.21 H new ATOM 0 HB3 MET A 56 -5.275 -2.886 -7.897 1.00 1.21 H new ATOM 0 HG2 MET A 56 -4.458 -1.265 -6.092 1.00 1.42 H new ATOM 0 HG3 MET A 56 -5.512 -0.056 -6.799 1.00 1.42 H new ATOM 0 HE1 MET A 56 -6.406 -3.404 -3.945 1.00 1.68 H new ATOM 0 HE2 MET A 56 -6.061 -4.034 -5.573 1.00 1.68 H new ATOM 0 HE3 MET A 56 -4.889 -2.965 -4.766 1.00 1.68 H new ATOM 912 N LYS A 57 -4.248 -1.745 -11.129 1.00 1.03 N ATOM 913 CA LYS A 57 -4.096 -2.355 -12.451 1.00 1.20 C ATOM 914 C LYS A 57 -2.729 -2.138 -13.079 1.00 1.17 C ATOM 915 O LYS A 57 -2.280 -2.936 -13.881 1.00 1.35 O ATOM 916 CB LYS A 57 -5.163 -1.800 -13.410 1.00 1.36 C ATOM 917 CG LYS A 57 -6.504 -2.513 -13.257 1.00 2.29 C ATOM 918 CD LYS A 57 -6.349 -3.866 -13.943 1.00 2.84 C ATOM 919 CE LYS A 57 -7.502 -4.793 -13.553 1.00 3.97 C ATOM 920 NZ LYS A 57 -7.251 -6.184 -14.005 1.00 5.05 N ATOM 0 H LYS A 57 -4.804 -0.890 -11.153 1.00 1.03 H new ATOM 0 HA LYS A 57 -4.215 -3.427 -12.295 1.00 1.20 H new ATOM 0 HB2 LYS A 57 -5.297 -0.734 -13.224 1.00 1.36 H new ATOM 0 HB3 LYS A 57 -4.814 -1.903 -14.438 1.00 1.36 H new ATOM 0 HG2 LYS A 57 -6.761 -2.637 -12.205 1.00 2.29 H new ATOM 0 HG3 LYS A 57 -7.307 -1.935 -13.715 1.00 2.29 H new ATOM 0 HD2 LYS A 57 -6.330 -3.733 -15.025 1.00 2.84 H new ATOM 0 HD3 LYS A 57 -5.398 -4.318 -13.661 1.00 2.84 H new ATOM 0 HE2 LYS A 57 -7.634 -4.778 -12.471 1.00 3.97 H new ATOM 0 HE3 LYS A 57 -8.430 -4.427 -13.992 1.00 3.97 H new ATOM 0 HZ1 LYS A 57 -8.050 -6.789 -13.726 1.00 5.05 H new ATOM 0 HZ2 LYS A 57 -7.149 -6.200 -15.040 1.00 5.05 H new ATOM 0 HZ3 LYS A 57 -6.378 -6.539 -13.566 1.00 5.05 H new ATOM 934 N SER A 58 -2.105 -1.040 -12.743 1.00 1.03 N ATOM 935 CA SER A 58 -0.724 -0.621 -13.028 1.00 1.09 C ATOM 936 C SER A 58 0.303 -1.410 -12.194 1.00 1.08 C ATOM 937 O SER A 58 1.444 -1.586 -12.624 1.00 1.26 O ATOM 938 CB SER A 58 -0.592 0.904 -12.924 1.00 1.15 C ATOM 939 OG SER A 58 -1.267 1.495 -14.036 1.00 2.19 O ATOM 0 H SER A 58 -2.592 -0.326 -12.202 1.00 1.03 H new ATOM 0 HA SER A 58 -0.485 -0.874 -14.061 1.00 1.09 H new ATOM 0 HB2 SER A 58 -1.023 1.258 -11.988 1.00 1.15 H new ATOM 0 HB3 SER A 58 0.459 1.194 -12.921 1.00 1.15 H new ATOM 0 HG SER A 58 -2.047 1.995 -13.717 1.00 2.19 H new ATOM 945 N LEU A 59 -0.127 -2.014 -11.075 1.00 1.01 N ATOM 946 CA LEU A 59 0.560 -3.171 -10.488 1.00 1.07 C ATOM 947 C LEU A 59 0.259 -4.435 -11.326 1.00 1.15 C ATOM 948 O LEU A 59 1.169 -5.042 -11.892 1.00 1.20 O ATOM 949 CB LEU A 59 0.211 -3.297 -8.981 1.00 1.08 C ATOM 950 CG LEU A 59 0.398 -2.019 -8.120 1.00 1.08 C ATOM 951 CD1 LEU A 59 0.353 -2.378 -6.625 1.00 1.22 C ATOM 952 CD2 LEU A 59 1.690 -1.247 -8.429 1.00 1.29 C ATOM 0 H LEU A 59 -0.954 -1.716 -10.557 1.00 1.01 H new ATOM 0 HA LEU A 59 1.641 -3.036 -10.524 1.00 1.07 H new ATOM 0 HB2 LEU A 59 -0.828 -3.617 -8.896 1.00 1.08 H new ATOM 0 HB3 LEU A 59 0.825 -4.090 -8.553 1.00 1.08 H new ATOM 0 HG LEU A 59 -0.428 -1.357 -8.378 1.00 1.08 H new ATOM 0 HD11 LEU A 59 0.485 -1.475 -6.030 1.00 1.22 H new ATOM 0 HD12 LEU A 59 -0.610 -2.831 -6.388 1.00 1.22 H new ATOM 0 HD13 LEU A 59 1.152 -3.083 -6.396 1.00 1.22 H new ATOM 0 HD21 LEU A 59 1.750 -0.367 -7.788 1.00 1.29 H new ATOM 0 HD22 LEU A 59 2.551 -1.890 -8.245 1.00 1.29 H new ATOM 0 HD23 LEU A 59 1.687 -0.935 -9.474 1.00 1.29 H new ATOM 964 N ASP A 60 -1.019 -4.772 -11.514 1.00 1.26 N ATOM 965 CA ASP A 60 -1.536 -5.910 -12.315 1.00 1.41 C ATOM 966 C ASP A 60 -1.076 -5.937 -13.801 1.00 1.45 C ATOM 967 O ASP A 60 -1.283 -6.932 -14.493 1.00 1.73 O ATOM 968 CB ASP A 60 -3.078 -5.844 -12.259 1.00 1.56 C ATOM 969 CG ASP A 60 -3.837 -7.169 -12.377 1.00 1.97 C ATOM 970 OD1 ASP A 60 -3.615 -8.056 -11.513 1.00 2.74 O ATOM 971 OD2 ASP A 60 -4.779 -7.245 -13.202 1.00 2.79 O ATOM 0 H ASP A 60 -1.774 -4.233 -11.091 1.00 1.26 H new ATOM 0 HA ASP A 60 -1.128 -6.822 -11.878 1.00 1.41 H new ATOM 0 HB2 ASP A 60 -3.363 -5.374 -11.318 1.00 1.56 H new ATOM 0 HB3 ASP A 60 -3.418 -5.187 -13.059 1.00 1.56 H new ATOM 976 N LYS A 61 -0.469 -4.861 -14.313 1.00 1.37 N ATOM 977 CA LYS A 61 -0.292 -4.584 -15.752 1.00 1.67 C ATOM 978 C LYS A 61 0.654 -5.625 -16.378 1.00 1.91 C ATOM 979 O LYS A 61 0.409 -6.122 -17.473 1.00 2.49 O ATOM 980 CB LYS A 61 0.206 -3.118 -15.905 1.00 1.62 C ATOM 981 CG LYS A 61 -0.282 -2.273 -17.113 1.00 2.08 C ATOM 982 CD LYS A 61 -1.787 -1.923 -17.249 1.00 2.86 C ATOM 983 CE LYS A 61 -2.477 -0.996 -16.209 1.00 3.71 C ATOM 984 NZ LYS A 61 -2.422 0.478 -16.444 1.00 4.47 N ATOM 0 H LYS A 61 -0.072 -4.131 -13.721 1.00 1.37 H new ATOM 0 HA LYS A 61 -1.233 -4.675 -16.295 1.00 1.67 H new ATOM 0 HB2 LYS A 61 -0.070 -2.582 -14.997 1.00 1.62 H new ATOM 0 HB3 LYS A 61 1.295 -3.144 -15.942 1.00 1.62 H new ATOM 0 HG2 LYS A 61 0.271 -1.334 -17.097 1.00 2.08 H new ATOM 0 HG3 LYS A 61 0.013 -2.801 -18.020 1.00 2.08 H new ATOM 0 HD2 LYS A 61 -1.924 -1.466 -18.229 1.00 2.86 H new ATOM 0 HD3 LYS A 61 -2.337 -2.864 -17.257 1.00 2.86 H new ATOM 0 HE2 LYS A 61 -3.526 -1.286 -16.146 1.00 3.71 H new ATOM 0 HE3 LYS A 61 -2.032 -1.196 -15.234 1.00 3.71 H new ATOM 0 HZ1 LYS A 61 -1.896 0.933 -15.671 1.00 4.47 H new ATOM 0 HZ2 LYS A 61 -1.943 0.668 -17.347 1.00 4.47 H new ATOM 0 HZ3 LYS A 61 -3.389 0.860 -16.478 1.00 4.47 H new ATOM 998 N ASN A 62 1.688 -6.009 -15.618 1.00 1.73 N ATOM 999 CA ASN A 62 2.640 -7.093 -15.926 1.00 2.14 C ATOM 1000 C ASN A 62 2.815 -8.100 -14.765 1.00 1.98 C ATOM 1001 O ASN A 62 3.429 -9.148 -14.920 1.00 2.66 O ATOM 1002 CB ASN A 62 3.964 -6.438 -16.325 1.00 2.51 C ATOM 1003 CG ASN A 62 3.756 -5.500 -17.502 1.00 2.91 C ATOM 1004 OD1 ASN A 62 3.736 -4.287 -17.361 1.00 2.82 O ATOM 1005 ND2 ASN A 62 3.506 -6.044 -18.676 1.00 4.03 N ATOM 0 H ASN A 62 1.896 -5.553 -14.730 1.00 1.73 H new ATOM 0 HA ASN A 62 2.249 -7.694 -16.747 1.00 2.14 H new ATOM 0 HB2 ASN A 62 4.373 -5.886 -15.479 1.00 2.51 H new ATOM 0 HB3 ASN A 62 4.692 -7.205 -16.587 1.00 2.51 H new ATOM 0 HD21 ASN A 62 3.293 -5.451 -19.478 1.00 4.03 H new ATOM 0 HD22 ASN A 62 3.525 -7.058 -18.783 1.00 4.03 H new ATOM 1012 N SER A 63 2.233 -7.784 -13.608 1.00 1.58 N ATOM 1013 CA SER A 63 1.729 -8.678 -12.554 1.00 1.57 C ATOM 1014 C SER A 63 2.716 -9.417 -11.651 1.00 1.44 C ATOM 1015 O SER A 63 2.527 -9.358 -10.443 1.00 1.62 O ATOM 1016 CB SER A 63 0.731 -9.704 -13.122 1.00 1.73 C ATOM 1017 OG SER A 63 -0.566 -9.158 -13.301 1.00 2.48 O ATOM 0 H SER A 63 2.087 -6.806 -13.357 1.00 1.58 H new ATOM 0 HA SER A 63 1.270 -7.947 -11.888 1.00 1.57 H new ATOM 0 HB2 SER A 63 1.101 -10.075 -14.078 1.00 1.73 H new ATOM 0 HB3 SER A 63 0.672 -10.560 -12.449 1.00 1.73 H new ATOM 0 HG SER A 63 -0.530 -8.441 -13.968 1.00 2.48 H new ATOM 1023 N ASP A 64 3.751 -10.082 -12.160 1.00 1.36 N ATOM 1024 CA ASP A 64 4.563 -11.008 -11.344 1.00 1.46 C ATOM 1025 C ASP A 64 6.059 -10.794 -11.567 1.00 1.31 C ATOM 1026 O ASP A 64 6.914 -11.659 -11.424 1.00 1.61 O ATOM 1027 CB ASP A 64 4.020 -12.441 -11.459 1.00 2.38 C ATOM 1028 CG ASP A 64 2.674 -12.524 -10.716 1.00 3.42 C ATOM 1029 OD1 ASP A 64 2.697 -12.366 -9.471 1.00 4.50 O ATOM 1030 OD2 ASP A 64 1.630 -12.652 -11.397 1.00 3.85 O ATOM 0 H ASP A 64 4.054 -10.003 -13.131 1.00 1.36 H new ATOM 0 HA ASP A 64 4.458 -10.781 -10.283 1.00 1.46 H new ATOM 0 HB2 ASP A 64 3.890 -12.712 -12.507 1.00 2.38 H new ATOM 0 HB3 ASP A 64 4.731 -13.149 -11.032 1.00 2.38 H new ATOM 1035 N GLN A 65 6.326 -9.528 -11.862 1.00 1.31 N ATOM 1036 CA GLN A 65 7.523 -8.788 -11.515 1.00 1.30 C ATOM 1037 C GLN A 65 7.441 -8.345 -10.048 1.00 1.26 C ATOM 1038 O GLN A 65 6.354 -8.296 -9.462 1.00 1.25 O ATOM 1039 CB GLN A 65 7.642 -7.521 -12.389 1.00 1.40 C ATOM 1040 CG GLN A 65 6.543 -7.286 -13.448 1.00 2.09 C ATOM 1041 CD GLN A 65 6.594 -5.885 -14.042 1.00 2.62 C ATOM 1042 OE1 GLN A 65 5.909 -4.988 -13.589 1.00 3.20 O ATOM 1043 NE2 GLN A 65 7.354 -5.626 -15.081 1.00 3.29 N ATOM 0 H GLN A 65 5.664 -8.956 -12.386 1.00 1.31 H new ATOM 0 HA GLN A 65 8.387 -9.433 -11.677 1.00 1.30 H new ATOM 0 HB2 GLN A 65 7.663 -6.655 -11.727 1.00 1.40 H new ATOM 0 HB3 GLN A 65 8.603 -7.554 -12.902 1.00 1.40 H new ATOM 0 HG2 GLN A 65 6.650 -8.020 -14.247 1.00 2.09 H new ATOM 0 HG3 GLN A 65 5.565 -7.449 -12.994 1.00 2.09 H new ATOM 0 HE21 GLN A 65 7.939 -6.360 -15.481 1.00 3.29 H new ATOM 0 HE22 GLN A 65 7.360 -4.691 -15.488 1.00 3.29 H new ATOM 1052 N GLU A 66 8.576 -7.938 -9.480 1.00 1.34 N ATOM 1053 CA GLU A 66 8.653 -7.485 -8.098 1.00 1.35 C ATOM 1054 C GLU A 66 8.399 -5.980 -7.905 1.00 1.45 C ATOM 1055 O GLU A 66 8.480 -5.171 -8.831 1.00 1.74 O ATOM 1056 CB GLU A 66 10.006 -7.892 -7.501 1.00 1.38 C ATOM 1057 CG GLU A 66 10.097 -9.411 -7.320 1.00 1.38 C ATOM 1058 CD GLU A 66 11.493 -9.799 -6.869 1.00 1.62 C ATOM 1059 OE1 GLU A 66 11.797 -9.551 -5.676 1.00 2.20 O ATOM 1060 OE2 GLU A 66 12.266 -10.278 -7.722 1.00 2.52 O ATOM 0 H GLU A 66 9.470 -7.914 -9.971 1.00 1.34 H new ATOM 0 HA GLU A 66 7.839 -7.977 -7.566 1.00 1.35 H new ATOM 0 HB2 GLU A 66 10.811 -7.552 -8.152 1.00 1.38 H new ATOM 0 HB3 GLU A 66 10.145 -7.399 -6.539 1.00 1.38 H new ATOM 0 HG2 GLU A 66 9.364 -9.742 -6.585 1.00 1.38 H new ATOM 0 HG3 GLU A 66 9.857 -9.912 -8.258 1.00 1.38 H new ATOM 1067 N ILE A 67 8.061 -5.650 -6.658 1.00 1.26 N ATOM 1068 CA ILE A 67 7.852 -4.322 -6.063 1.00 1.37 C ATOM 1069 C ILE A 67 8.614 -4.228 -4.729 1.00 1.25 C ATOM 1070 O ILE A 67 8.708 -5.230 -4.017 1.00 1.09 O ATOM 1071 CB ILE A 67 6.341 -4.062 -5.810 1.00 1.41 C ATOM 1072 CG1 ILE A 67 5.512 -4.440 -7.051 1.00 1.98 C ATOM 1073 CG2 ILE A 67 6.153 -2.583 -5.442 1.00 1.95 C ATOM 1074 CD1 ILE A 67 4.069 -3.920 -7.105 1.00 2.36 C ATOM 0 H ILE A 67 7.910 -6.382 -5.963 1.00 1.26 H new ATOM 0 HA ILE A 67 8.225 -3.570 -6.759 1.00 1.37 H new ATOM 0 HB ILE A 67 5.989 -4.683 -4.986 1.00 1.41 H new ATOM 0 HG12 ILE A 67 6.037 -4.076 -7.934 1.00 1.98 H new ATOM 0 HG13 ILE A 67 5.484 -5.527 -7.122 1.00 1.98 H new ATOM 0 HG21 ILE A 67 5.097 -2.384 -5.261 1.00 1.95 H new ATOM 0 HG22 ILE A 67 6.724 -2.357 -4.542 1.00 1.95 H new ATOM 0 HG23 ILE A 67 6.505 -1.957 -6.262 1.00 1.95 H new ATOM 0 HD11 ILE A 67 3.596 -4.256 -8.028 1.00 2.36 H new ATOM 0 HD12 ILE A 67 3.512 -4.304 -6.251 1.00 2.36 H new ATOM 0 HD13 ILE A 67 4.074 -2.830 -7.075 1.00 2.36 H new ATOM 1086 N ASP A 68 9.118 -3.041 -4.382 1.00 1.36 N ATOM 1087 CA ASP A 68 9.804 -2.727 -3.116 1.00 1.25 C ATOM 1088 C ASP A 68 8.947 -1.915 -2.113 1.00 1.07 C ATOM 1089 O ASP A 68 7.823 -1.491 -2.393 1.00 1.30 O ATOM 1090 CB ASP A 68 11.145 -2.012 -3.422 1.00 1.42 C ATOM 1091 CG ASP A 68 11.081 -0.476 -3.558 1.00 1.74 C ATOM 1092 OD1 ASP A 68 10.028 0.077 -3.961 1.00 2.89 O ATOM 1093 OD2 ASP A 68 12.083 0.178 -3.184 1.00 1.92 O ATOM 0 H ASP A 68 9.059 -2.232 -5.001 1.00 1.36 H new ATOM 0 HA ASP A 68 9.993 -3.676 -2.614 1.00 1.25 H new ATOM 0 HB2 ASP A 68 11.853 -2.257 -2.630 1.00 1.42 H new ATOM 0 HB3 ASP A 68 11.549 -2.422 -4.348 1.00 1.42 H new ATOM 1098 N PHE A 69 9.522 -1.625 -0.940 1.00 0.93 N ATOM 1099 CA PHE A 69 8.866 -0.848 0.110 1.00 0.86 C ATOM 1100 C PHE A 69 8.537 0.605 -0.310 1.00 0.86 C ATOM 1101 O PHE A 69 7.777 1.295 0.367 1.00 0.84 O ATOM 1102 CB PHE A 69 9.753 -0.880 1.366 1.00 0.94 C ATOM 1103 CG PHE A 69 8.989 -0.905 2.678 1.00 1.12 C ATOM 1104 CD1 PHE A 69 8.455 0.272 3.242 1.00 2.70 C ATOM 1105 CD2 PHE A 69 8.812 -2.131 3.341 1.00 1.89 C ATOM 1106 CE1 PHE A 69 7.763 0.224 4.464 1.00 3.21 C ATOM 1107 CE2 PHE A 69 8.115 -2.179 4.560 1.00 2.58 C ATOM 1108 CZ PHE A 69 7.599 -1.003 5.127 1.00 2.71 C ATOM 0 H PHE A 69 10.465 -1.927 -0.694 1.00 0.93 H new ATOM 0 HA PHE A 69 7.899 -1.307 0.316 1.00 0.86 H new ATOM 0 HB2 PHE A 69 10.396 -1.759 1.318 1.00 0.94 H new ATOM 0 HB3 PHE A 69 10.405 -0.007 1.357 1.00 0.94 H new ATOM 0 HD1 PHE A 69 8.579 1.216 2.732 1.00 2.70 H new ATOM 0 HD2 PHE A 69 9.212 -3.038 2.913 1.00 1.89 H new ATOM 0 HE1 PHE A 69 7.358 1.129 4.892 1.00 3.21 H new ATOM 0 HE2 PHE A 69 7.976 -3.125 5.063 1.00 2.58 H new ATOM 0 HZ PHE A 69 7.077 -1.042 6.072 1.00 2.71 H new ATOM 1118 N LYS A 70 9.120 1.116 -1.400 1.00 0.98 N ATOM 1119 CA LYS A 70 9.112 2.531 -1.775 1.00 0.92 C ATOM 1120 C LYS A 70 7.985 2.846 -2.759 1.00 1.00 C ATOM 1121 O LYS A 70 7.239 3.795 -2.509 1.00 1.00 O ATOM 1122 CB LYS A 70 10.490 2.838 -2.361 1.00 0.90 C ATOM 1123 CG LYS A 70 11.039 4.224 -2.066 1.00 1.33 C ATOM 1124 CD LYS A 70 12.478 4.201 -2.591 1.00 1.70 C ATOM 1125 CE LYS A 70 13.126 5.570 -2.479 1.00 3.25 C ATOM 1126 NZ LYS A 70 13.597 5.877 -1.101 1.00 4.84 N ATOM 0 H LYS A 70 9.627 0.534 -2.067 1.00 0.98 H new ATOM 0 HA LYS A 70 8.921 3.162 -0.907 1.00 0.92 H new ATOM 0 HB2 LYS A 70 11.197 2.100 -1.984 1.00 0.90 H new ATOM 0 HB3 LYS A 70 10.441 2.709 -3.442 1.00 0.90 H new ATOM 0 HG2 LYS A 70 10.450 4.995 -2.562 1.00 1.33 H new ATOM 0 HG3 LYS A 70 11.012 4.440 -0.998 1.00 1.33 H new ATOM 0 HD2 LYS A 70 13.062 3.473 -2.028 1.00 1.70 H new ATOM 0 HD3 LYS A 70 12.483 3.878 -3.632 1.00 1.70 H new ATOM 0 HE2 LYS A 70 13.970 5.624 -3.167 1.00 3.25 H new ATOM 0 HE3 LYS A 70 12.411 6.331 -2.791 1.00 3.25 H new ATOM 0 HZ1 LYS A 70 12.977 6.595 -0.674 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 13.572 5.012 -0.525 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 14.571 6.239 -1.140 1.00 4.84 H new ATOM 1140 N GLU A 71 7.818 2.002 -3.789 1.00 1.09 N ATOM 1141 CA GLU A 71 6.552 1.897 -4.524 1.00 1.01 C ATOM 1142 C GLU A 71 5.407 1.701 -3.513 1.00 0.92 C ATOM 1143 O GLU A 71 4.405 2.406 -3.549 1.00 1.02 O ATOM 1144 CB GLU A 71 6.575 0.705 -5.496 1.00 1.06 C ATOM 1145 CG GLU A 71 7.348 0.928 -6.806 1.00 1.50 C ATOM 1146 CD GLU A 71 6.473 0.710 -8.060 1.00 2.11 C ATOM 1147 OE1 GLU A 71 5.807 1.672 -8.498 1.00 2.86 O ATOM 1148 OE2 GLU A 71 6.459 -0.428 -8.586 1.00 2.75 O ATOM 0 H GLU A 71 8.550 1.380 -4.132 1.00 1.09 H new ATOM 0 HA GLU A 71 6.405 2.810 -5.101 1.00 1.01 H new ATOM 0 HB2 GLU A 71 7.009 -0.152 -4.981 1.00 1.06 H new ATOM 0 HB3 GLU A 71 5.547 0.441 -5.743 1.00 1.06 H new ATOM 0 HG2 GLU A 71 7.748 1.942 -6.819 1.00 1.50 H new ATOM 0 HG3 GLU A 71 8.200 0.249 -6.840 1.00 1.50 H new ATOM 1155 N TYR A 72 5.598 0.819 -2.525 1.00 0.83 N ATOM 1156 CA TYR A 72 4.564 0.501 -1.530 1.00 0.72 C ATOM 1157 C TYR A 72 4.177 1.719 -0.677 1.00 0.67 C ATOM 1158 O TYR A 72 2.990 1.992 -0.477 1.00 0.60 O ATOM 1159 CB TYR A 72 5.068 -0.670 -0.675 1.00 0.73 C ATOM 1160 CG TYR A 72 4.380 -0.915 0.656 1.00 0.71 C ATOM 1161 CD1 TYR A 72 2.994 -1.165 0.715 1.00 1.94 C ATOM 1162 CD2 TYR A 72 5.143 -0.957 1.840 1.00 2.20 C ATOM 1163 CE1 TYR A 72 2.389 -1.531 1.933 1.00 1.85 C ATOM 1164 CE2 TYR A 72 4.540 -1.288 3.064 1.00 2.36 C ATOM 1165 CZ TYR A 72 3.164 -1.593 3.114 1.00 0.94 C ATOM 1166 OH TYR A 72 2.608 -1.947 4.303 1.00 1.15 O ATOM 0 H TYR A 72 6.470 0.307 -2.392 1.00 0.83 H new ATOM 0 HA TYR A 72 3.646 0.211 -2.042 1.00 0.72 H new ATOM 0 HB2 TYR A 72 4.985 -1.580 -1.269 1.00 0.73 H new ATOM 0 HB3 TYR A 72 6.129 -0.512 -0.481 1.00 0.73 H new ATOM 0 HD1 TYR A 72 2.393 -1.075 -0.178 1.00 1.94 H new ATOM 0 HD2 TYR A 72 6.199 -0.733 1.806 1.00 2.20 H new ATOM 0 HE1 TYR A 72 1.335 -1.764 1.965 1.00 1.85 H new ATOM 0 HE2 TYR A 72 5.130 -1.309 3.968 1.00 2.36 H new ATOM 0 HH TYR A 72 3.306 -2.284 4.903 1.00 1.15 H new ATOM 1176 N SER A 73 5.161 2.485 -0.198 1.00 0.73 N ATOM 1177 CA SER A 73 4.911 3.654 0.635 1.00 0.70 C ATOM 1178 C SER A 73 4.345 4.844 -0.150 1.00 0.72 C ATOM 1179 O SER A 73 3.440 5.501 0.378 1.00 0.72 O ATOM 1180 CB SER A 73 6.160 4.007 1.442 1.00 0.70 C ATOM 1181 OG SER A 73 7.280 4.319 0.647 1.00 1.18 O ATOM 0 H SER A 73 6.149 2.309 -0.379 1.00 0.73 H new ATOM 0 HA SER A 73 4.123 3.394 1.341 1.00 0.70 H new ATOM 0 HB2 SER A 73 5.936 4.856 2.088 1.00 0.70 H new ATOM 0 HB3 SER A 73 6.410 3.169 2.093 1.00 0.70 H new ATOM 0 HG SER A 73 8.072 4.405 1.217 1.00 1.18 H new ATOM 1187 N VAL A 74 4.773 5.081 -1.406 1.00 0.77 N ATOM 1188 CA VAL A 74 4.121 6.068 -2.283 1.00 0.79 C ATOM 1189 C VAL A 74 2.733 5.635 -2.740 1.00 0.75 C ATOM 1190 O VAL A 74 1.913 6.512 -2.964 1.00 0.75 O ATOM 1191 CB VAL A 74 4.915 6.510 -3.531 1.00 0.92 C ATOM 1192 CG1 VAL A 74 6.267 7.102 -3.146 1.00 0.98 C ATOM 1193 CG2 VAL A 74 5.087 5.464 -4.640 1.00 1.01 C ATOM 0 H VAL A 74 5.566 4.602 -1.833 1.00 0.77 H new ATOM 0 HA VAL A 74 4.061 6.931 -1.620 1.00 0.79 H new ATOM 0 HB VAL A 74 4.277 7.274 -3.976 1.00 0.92 H new ATOM 0 HG11 VAL A 74 6.802 7.404 -4.047 1.00 0.98 H new ATOM 0 HG12 VAL A 74 6.115 7.971 -2.506 1.00 0.98 H new ATOM 0 HG13 VAL A 74 6.852 6.355 -2.610 1.00 0.98 H new ATOM 0 HG21 VAL A 74 5.661 5.895 -5.461 1.00 1.01 H new ATOM 0 HG22 VAL A 74 5.615 4.597 -4.244 1.00 1.01 H new ATOM 0 HG23 VAL A 74 4.107 5.156 -5.005 1.00 1.01 H new ATOM 1203 N PHE A 75 2.428 4.340 -2.856 1.00 0.74 N ATOM 1204 CA PHE A 75 1.100 3.866 -3.246 1.00 0.72 C ATOM 1205 C PHE A 75 0.090 4.031 -2.100 1.00 0.68 C ATOM 1206 O PHE A 75 -0.997 4.566 -2.317 1.00 0.70 O ATOM 1207 CB PHE A 75 1.238 2.415 -3.710 1.00 0.70 C ATOM 1208 CG PHE A 75 0.069 1.865 -4.490 1.00 0.64 C ATOM 1209 CD1 PHE A 75 -1.040 1.318 -3.824 1.00 1.99 C ATOM 1210 CD2 PHE A 75 0.131 1.830 -5.895 1.00 1.71 C ATOM 1211 CE1 PHE A 75 -2.071 0.708 -4.562 1.00 1.96 C ATOM 1212 CE2 PHE A 75 -0.882 1.199 -6.624 1.00 1.71 C ATOM 1213 CZ PHE A 75 -1.990 0.647 -5.961 1.00 0.55 C ATOM 0 H PHE A 75 3.097 3.590 -2.682 1.00 0.74 H new ATOM 0 HA PHE A 75 0.706 4.465 -4.067 1.00 0.72 H new ATOM 0 HB2 PHE A 75 2.133 2.333 -4.326 1.00 0.70 H new ATOM 0 HB3 PHE A 75 1.395 1.786 -2.834 1.00 0.70 H new ATOM 0 HD1 PHE A 75 -1.101 1.366 -2.747 1.00 1.99 H new ATOM 0 HD2 PHE A 75 0.961 2.290 -6.411 1.00 1.71 H new ATOM 0 HE1 PHE A 75 -2.924 0.287 -4.051 1.00 1.96 H new ATOM 0 HE2 PHE A 75 -0.812 1.136 -7.700 1.00 1.71 H new ATOM 0 HZ PHE A 75 -2.779 0.176 -6.528 1.00 0.55 H new ATOM 1223 N LEU A 76 0.466 3.668 -0.861 1.00 0.67 N ATOM 1224 CA LEU A 76 -0.326 3.982 0.341 1.00 0.69 C ATOM 1225 C LEU A 76 -0.522 5.497 0.532 1.00 0.70 C ATOM 1226 O LEU A 76 -1.625 5.933 0.869 1.00 0.75 O ATOM 1227 CB LEU A 76 0.350 3.386 1.594 1.00 0.70 C ATOM 1228 CG LEU A 76 0.311 1.847 1.732 1.00 0.74 C ATOM 1229 CD1 LEU A 76 1.040 1.462 3.030 1.00 1.08 C ATOM 1230 CD2 LEU A 76 -1.121 1.293 1.771 1.00 0.83 C ATOM 0 H LEU A 76 1.323 3.151 -0.665 1.00 0.67 H new ATOM 0 HA LEU A 76 -1.310 3.535 0.202 1.00 0.69 H new ATOM 0 HB2 LEU A 76 1.393 3.703 1.603 1.00 0.70 H new ATOM 0 HB3 LEU A 76 -0.122 3.820 2.475 1.00 0.70 H new ATOM 0 HG LEU A 76 0.797 1.416 0.857 1.00 0.74 H new ATOM 0 HD11 LEU A 76 1.025 0.379 3.148 1.00 1.08 H new ATOM 0 HD12 LEU A 76 2.073 1.808 2.983 1.00 1.08 H new ATOM 0 HD13 LEU A 76 0.540 1.927 3.880 1.00 1.08 H new ATOM 0 HD21 LEU A 76 -1.089 0.208 1.869 1.00 0.83 H new ATOM 0 HD22 LEU A 76 -1.653 1.718 2.622 1.00 0.83 H new ATOM 0 HD23 LEU A 76 -1.639 1.559 0.850 1.00 0.83 H new ATOM 1242 N THR A 77 0.526 6.293 0.283 1.00 0.68 N ATOM 1243 CA THR A 77 0.482 7.764 0.322 1.00 0.69 C ATOM 1244 C THR A 77 -0.468 8.303 -0.742 1.00 0.70 C ATOM 1245 O THR A 77 -1.462 8.946 -0.416 1.00 0.72 O ATOM 1246 CB THR A 77 1.904 8.303 0.158 1.00 0.72 C ATOM 1247 OG1 THR A 77 2.641 7.907 1.282 1.00 0.80 O ATOM 1248 CG2 THR A 77 1.988 9.817 0.004 1.00 0.86 C ATOM 0 H THR A 77 1.448 5.927 0.044 1.00 0.68 H new ATOM 0 HA THR A 77 0.093 8.103 1.282 1.00 0.69 H new ATOM 0 HB THR A 77 2.304 7.892 -0.769 1.00 0.72 H new ATOM 0 HG1 THR A 77 2.899 6.966 1.189 1.00 0.80 H new ATOM 0 HG21 THR A 77 3.031 10.114 -0.107 1.00 0.86 H new ATOM 0 HG22 THR A 77 1.427 10.125 -0.879 1.00 0.86 H new ATOM 0 HG23 THR A 77 1.566 10.297 0.887 1.00 0.86 H new ATOM 1256 N MET A 78 -0.235 7.956 -2.007 1.00 0.74 N ATOM 1257 CA MET A 78 -1.044 8.350 -3.166 1.00 0.75 C ATOM 1258 C MET A 78 -2.528 8.050 -2.965 1.00 0.79 C ATOM 1259 O MET A 78 -3.358 8.888 -3.285 1.00 0.84 O ATOM 1260 CB MET A 78 -0.485 7.617 -4.393 1.00 0.76 C ATOM 1261 CG MET A 78 -1.276 7.836 -5.683 1.00 1.28 C ATOM 1262 SD MET A 78 -0.411 7.311 -7.192 1.00 1.47 S ATOM 1263 CE MET A 78 0.256 5.689 -6.712 1.00 1.44 C ATOM 0 H MET A 78 0.556 7.367 -2.266 1.00 0.74 H new ATOM 0 HA MET A 78 -0.980 9.429 -3.306 1.00 0.75 H new ATOM 0 HB2 MET A 78 0.544 7.939 -4.554 1.00 0.76 H new ATOM 0 HB3 MET A 78 -0.454 6.549 -4.178 1.00 0.76 H new ATOM 0 HG2 MET A 78 -2.219 7.295 -5.613 1.00 1.28 H new ATOM 0 HG3 MET A 78 -1.521 8.895 -5.769 1.00 1.28 H new ATOM 0 HE1 MET A 78 0.422 5.085 -7.604 1.00 1.44 H new ATOM 0 HE2 MET A 78 1.200 5.825 -6.185 1.00 1.44 H new ATOM 0 HE3 MET A 78 -0.454 5.182 -6.058 1.00 1.44 H new ATOM 1273 N LEU A 79 -2.869 6.881 -2.413 1.00 0.79 N ATOM 1274 CA LEU A 79 -4.257 6.513 -2.119 1.00 0.88 C ATOM 1275 C LEU A 79 -4.860 7.358 -0.994 1.00 0.90 C ATOM 1276 O LEU A 79 -5.972 7.840 -1.158 1.00 0.97 O ATOM 1277 CB LEU A 79 -4.334 4.999 -1.858 1.00 0.93 C ATOM 1278 CG LEU A 79 -4.635 4.168 -3.127 1.00 1.27 C ATOM 1279 CD1 LEU A 79 -3.870 4.622 -4.381 1.00 2.96 C ATOM 1280 CD2 LEU A 79 -4.353 2.692 -2.837 1.00 1.60 C ATOM 0 H LEU A 79 -2.190 6.164 -2.158 1.00 0.79 H new ATOM 0 HA LEU A 79 -4.877 6.736 -2.987 1.00 0.88 H new ATOM 0 HB2 LEU A 79 -3.389 4.664 -1.430 1.00 0.93 H new ATOM 0 HB3 LEU A 79 -5.108 4.805 -1.115 1.00 0.93 H new ATOM 0 HG LEU A 79 -5.688 4.326 -3.361 1.00 1.27 H new ATOM 0 HD11 LEU A 79 -4.141 3.985 -5.223 1.00 2.96 H new ATOM 0 HD12 LEU A 79 -4.128 5.656 -4.610 1.00 2.96 H new ATOM 0 HD13 LEU A 79 -2.798 4.547 -4.200 1.00 2.96 H new ATOM 0 HD21 LEU A 79 -4.563 2.100 -3.728 1.00 1.60 H new ATOM 0 HD22 LEU A 79 -3.306 2.569 -2.558 1.00 1.60 H new ATOM 0 HD23 LEU A 79 -4.988 2.354 -2.018 1.00 1.60 H new ATOM 1292 N CYS A 80 -4.131 7.637 0.090 1.00 0.88 N ATOM 1293 CA CYS A 80 -4.607 8.559 1.133 1.00 0.94 C ATOM 1294 C CYS A 80 -4.965 9.937 0.539 1.00 0.96 C ATOM 1295 O CYS A 80 -6.046 10.475 0.786 1.00 1.08 O ATOM 1296 CB CYS A 80 -3.534 8.649 2.230 1.00 1.03 C ATOM 1297 SG CYS A 80 -4.158 9.671 3.598 1.00 1.28 S ATOM 0 H CYS A 80 -3.209 7.240 0.271 1.00 0.88 H new ATOM 0 HA CYS A 80 -5.528 8.180 1.577 1.00 0.94 H new ATOM 0 HB2 CYS A 80 -3.282 7.652 2.591 1.00 1.03 H new ATOM 0 HB3 CYS A 80 -2.619 9.082 1.825 1.00 1.03 H new ATOM 0 HG CYS A 80 -4.931 8.954 4.358 1.00 1.28 H new ATOM 1303 N MET A 81 -4.072 10.479 -0.296 1.00 0.94 N ATOM 1304 CA MET A 81 -4.262 11.741 -1.022 1.00 0.98 C ATOM 1305 C MET A 81 -5.257 11.626 -2.192 1.00 0.97 C ATOM 1306 O MET A 81 -5.697 12.655 -2.694 1.00 1.14 O ATOM 1307 CB MET A 81 -2.898 12.280 -1.500 1.00 1.03 C ATOM 1308 CG MET A 81 -2.060 12.934 -0.389 1.00 2.17 C ATOM 1309 SD MET A 81 -1.279 11.821 0.811 1.00 3.85 S ATOM 1310 CE MET A 81 -2.098 12.306 2.348 1.00 5.43 C ATOM 0 H MET A 81 -3.172 10.040 -0.491 1.00 0.94 H new ATOM 0 HA MET A 81 -4.708 12.450 -0.325 1.00 0.98 H new ATOM 0 HB2 MET A 81 -2.328 11.460 -1.936 1.00 1.03 H new ATOM 0 HB3 MET A 81 -3.065 13.010 -2.293 1.00 1.03 H new ATOM 0 HG2 MET A 81 -1.277 13.529 -0.860 1.00 2.17 H new ATOM 0 HG3 MET A 81 -2.701 13.626 0.157 1.00 2.17 H new ATOM 0 HE1 MET A 81 -1.999 11.506 3.081 1.00 5.43 H new ATOM 0 HE2 MET A 81 -1.635 13.214 2.736 1.00 5.43 H new ATOM 0 HE3 MET A 81 -3.155 12.491 2.154 1.00 5.43 H new ATOM 1320 N ALA A 82 -5.628 10.411 -2.623 1.00 0.89 N ATOM 1321 CA ALA A 82 -6.634 10.182 -3.666 1.00 0.96 C ATOM 1322 C ALA A 82 -8.065 10.471 -3.184 1.00 1.04 C ATOM 1323 O ALA A 82 -8.971 10.603 -4.009 1.00 1.27 O ATOM 1324 CB ALA A 82 -6.532 8.750 -4.213 1.00 1.01 C ATOM 0 H ALA A 82 -5.231 9.549 -2.250 1.00 0.89 H new ATOM 0 HA ALA A 82 -6.420 10.888 -4.468 1.00 0.96 H new ATOM 0 HB1 ALA A 82 -7.287 8.601 -4.985 1.00 1.01 H new ATOM 0 HB2 ALA A 82 -5.541 8.593 -4.639 1.00 1.01 H new ATOM 0 HB3 ALA A 82 -6.696 8.039 -3.403 1.00 1.01 H new ATOM 1330 N TYR A 83 -8.306 10.524 -1.862 1.00 0.98 N ATOM 1331 CA TYR A 83 -9.677 10.565 -1.343 1.00 1.18 C ATOM 1332 C TYR A 83 -9.943 11.209 0.022 1.00 1.42 C ATOM 1333 O TYR A 83 -11.123 11.410 0.328 1.00 2.11 O ATOM 1334 CB TYR A 83 -10.287 9.152 -1.407 1.00 1.37 C ATOM 1335 CG TYR A 83 -9.463 8.024 -0.821 1.00 1.41 C ATOM 1336 CD1 TYR A 83 -9.088 8.034 0.538 1.00 1.53 C ATOM 1337 CD2 TYR A 83 -9.094 6.943 -1.642 1.00 2.95 C ATOM 1338 CE1 TYR A 83 -8.260 7.017 1.045 1.00 1.56 C ATOM 1339 CE2 TYR A 83 -8.282 5.916 -1.138 1.00 3.16 C ATOM 1340 CZ TYR A 83 -7.821 5.976 0.199 1.00 1.82 C ATOM 1341 OH TYR A 83 -6.930 5.064 0.679 1.00 2.15 O ATOM 0 H TYR A 83 -7.579 10.539 -1.146 1.00 0.98 H new ATOM 0 HA TYR A 83 -10.169 11.272 -2.010 1.00 1.18 H new ATOM 0 HB2 TYR A 83 -11.248 9.173 -0.893 1.00 1.37 H new ATOM 0 HB3 TYR A 83 -10.490 8.917 -2.452 1.00 1.37 H new ATOM 0 HD1 TYR A 83 -9.436 8.822 1.189 1.00 1.53 H new ATOM 0 HD2 TYR A 83 -9.437 6.903 -2.665 1.00 2.95 H new ATOM 0 HE1 TYR A 83 -7.960 7.032 2.082 1.00 1.56 H new ATOM 0 HE2 TYR A 83 -8.009 5.082 -1.768 1.00 3.16 H new ATOM 0 HH TYR A 83 -7.059 4.958 1.645 1.00 2.15 H new ATOM 1351 N ASN A 84 -8.943 11.550 0.843 1.00 1.32 N ATOM 1352 CA ASN A 84 -9.211 12.165 2.149 1.00 1.74 C ATOM 1353 C ASN A 84 -9.410 13.688 2.071 1.00 1.56 C ATOM 1354 O ASN A 84 -8.648 14.489 2.613 1.00 1.69 O ATOM 1355 CB ASN A 84 -8.194 11.695 3.192 1.00 2.34 C ATOM 1356 CG ASN A 84 -8.419 10.230 3.551 1.00 3.71 C ATOM 1357 OD1 ASN A 84 -9.541 9.775 3.726 1.00 4.86 O ATOM 1358 ND2 ASN A 84 -7.363 9.451 3.667 1.00 4.09 N ATOM 0 H ASN A 84 -7.955 11.413 0.631 1.00 1.32 H new ATOM 0 HA ASN A 84 -10.180 11.808 2.498 1.00 1.74 H new ATOM 0 HB2 ASN A 84 -7.183 11.828 2.806 1.00 2.34 H new ATOM 0 HB3 ASN A 84 -8.276 12.310 4.088 1.00 2.34 H new ATOM 0 HD21 ASN A 84 -7.480 8.466 3.903 1.00 4.09 H new ATOM 0 HD22 ASN A 84 -6.429 9.833 3.520 1.00 4.09 H new ATOM 1365 N ASP A 85 -10.528 14.064 1.442 1.00 1.74 N ATOM 1366 CA ASP A 85 -11.042 15.431 1.306 1.00 1.74 C ATOM 1367 C ASP A 85 -11.240 16.117 2.678 1.00 1.69 C ATOM 1368 O ASP A 85 -11.248 17.338 2.775 1.00 1.81 O ATOM 1369 CB ASP A 85 -12.391 15.427 0.551 1.00 2.40 C ATOM 1370 CG ASP A 85 -12.559 14.390 -0.572 1.00 3.20 C ATOM 1371 OD1 ASP A 85 -11.600 14.071 -1.309 1.00 3.73 O ATOM 1372 OD2 ASP A 85 -13.670 13.814 -0.672 1.00 4.16 O ATOM 0 H ASP A 85 -11.135 13.382 0.987 1.00 1.74 H new ATOM 0 HA ASP A 85 -10.297 15.994 0.743 1.00 1.74 H new ATOM 0 HB2 ASP A 85 -13.186 15.270 1.279 1.00 2.40 H new ATOM 0 HB3 ASP A 85 -12.543 16.418 0.123 1.00 2.40 H new ATOM 1377 N PHE A 86 -11.367 15.315 3.742 1.00 1.92 N ATOM 1378 CA PHE A 86 -11.528 15.714 5.144 1.00 2.32 C ATOM 1379 C PHE A 86 -10.360 16.538 5.717 1.00 2.24 C ATOM 1380 O PHE A 86 -10.486 17.086 6.812 1.00 2.73 O ATOM 1381 CB PHE A 86 -11.716 14.441 5.988 1.00 2.73 C ATOM 1382 CG PHE A 86 -12.614 13.385 5.367 1.00 3.05 C ATOM 1383 CD1 PHE A 86 -14.000 13.603 5.262 1.00 3.71 C ATOM 1384 CD2 PHE A 86 -12.050 12.202 4.849 1.00 3.69 C ATOM 1385 CE1 PHE A 86 -14.819 12.641 4.644 1.00 4.44 C ATOM 1386 CE2 PHE A 86 -12.866 11.243 4.230 1.00 4.62 C ATOM 1387 CZ PHE A 86 -14.254 11.464 4.127 1.00 4.80 C ATOM 0 H PHE A 86 -11.359 14.300 3.638 1.00 1.92 H new ATOM 0 HA PHE A 86 -12.397 16.371 5.185 1.00 2.32 H new ATOM 0 HB2 PHE A 86 -10.737 13.999 6.175 1.00 2.73 H new ATOM 0 HB3 PHE A 86 -12.129 14.723 6.957 1.00 2.73 H new ATOM 0 HD1 PHE A 86 -14.435 14.509 5.656 1.00 3.71 H new ATOM 0 HD2 PHE A 86 -10.986 12.033 4.929 1.00 3.69 H new ATOM 0 HE1 PHE A 86 -15.883 12.808 4.567 1.00 4.44 H new ATOM 0 HE2 PHE A 86 -12.431 10.337 3.833 1.00 4.62 H new ATOM 0 HZ PHE A 86 -14.884 10.728 3.650 1.00 4.80 H new ATOM 1397 N PHE A 87 -9.227 16.607 5.008 1.00 1.83 N ATOM 1398 CA PHE A 87 -8.071 17.438 5.354 1.00 2.00 C ATOM 1399 C PHE A 87 -7.901 18.637 4.403 1.00 1.92 C ATOM 1400 O PHE A 87 -6.936 19.379 4.546 1.00 2.27 O ATOM 1401 CB PHE A 87 -6.799 16.569 5.333 1.00 2.08 C ATOM 1402 CG PHE A 87 -6.896 15.218 6.020 1.00 2.36 C ATOM 1403 CD1 PHE A 87 -7.491 15.092 7.292 1.00 3.18 C ATOM 1404 CD2 PHE A 87 -6.402 14.071 5.368 1.00 2.74 C ATOM 1405 CE1 PHE A 87 -7.619 13.828 7.890 1.00 3.77 C ATOM 1406 CE2 PHE A 87 -6.510 12.810 5.978 1.00 3.29 C ATOM 1407 CZ PHE A 87 -7.131 12.686 7.230 1.00 3.61 C ATOM 0 H PHE A 87 -9.087 16.070 4.153 1.00 1.83 H new ATOM 0 HA PHE A 87 -8.240 17.843 6.352 1.00 2.00 H new ATOM 0 HB2 PHE A 87 -6.514 16.405 4.294 1.00 2.08 H new ATOM 0 HB3 PHE A 87 -5.991 17.133 5.800 1.00 2.08 H new ATOM 0 HD1 PHE A 87 -7.849 15.970 7.808 1.00 3.18 H new ATOM 0 HD2 PHE A 87 -5.939 14.161 4.396 1.00 2.74 H new ATOM 0 HE1 PHE A 87 -8.092 13.733 8.856 1.00 3.77 H new ATOM 0 HE2 PHE A 87 -6.115 11.935 5.483 1.00 3.29 H new ATOM 0 HZ PHE A 87 -7.234 11.713 7.687 1.00 3.61 H new ATOM 1417 N LEU A 88 -8.762 18.789 3.394 1.00 1.66 N ATOM 1418 CA LEU A 88 -8.665 19.813 2.351 1.00 1.72 C ATOM 1419 C LEU A 88 -9.568 20.996 2.747 1.00 2.08 C ATOM 1420 O LEU A 88 -9.525 21.428 3.899 1.00 2.53 O ATOM 1421 CB LEU A 88 -8.899 19.148 0.967 1.00 1.62 C ATOM 1422 CG LEU A 88 -7.684 18.411 0.352 1.00 2.29 C ATOM 1423 CD1 LEU A 88 -6.777 19.351 -0.454 1.00 2.67 C ATOM 1424 CD2 LEU A 88 -6.775 17.663 1.345 1.00 3.01 C ATOM 0 H LEU A 88 -9.573 18.182 3.277 1.00 1.66 H new ATOM 0 HA LEU A 88 -7.674 20.256 2.255 1.00 1.72 H new ATOM 0 HB2 LEU A 88 -9.720 18.437 1.062 1.00 1.62 H new ATOM 0 HB3 LEU A 88 -9.224 19.918 0.267 1.00 1.62 H new ATOM 0 HG LEU A 88 -8.171 17.671 -0.283 1.00 2.29 H new ATOM 0 HD11 LEU A 88 -5.940 18.786 -0.864 1.00 2.67 H new ATOM 0 HD12 LEU A 88 -7.348 19.797 -1.269 1.00 2.67 H new ATOM 0 HD13 LEU A 88 -6.398 20.138 0.198 1.00 2.67 H new ATOM 0 HD21 LEU A 88 -5.959 17.185 0.803 1.00 3.01 H new ATOM 0 HD22 LEU A 88 -6.366 18.370 2.067 1.00 3.01 H new ATOM 0 HD23 LEU A 88 -7.356 16.904 1.869 1.00 3.01 H new ATOM 1436 N GLU A 89 -10.312 21.576 1.807 1.00 2.37 N ATOM 1437 CA GLU A 89 -10.984 22.882 1.890 1.00 2.78 C ATOM 1438 C GLU A 89 -11.763 23.148 0.590 1.00 2.90 C ATOM 1439 O GLU A 89 -12.853 23.707 0.651 1.00 3.37 O ATOM 1440 CB GLU A 89 -9.911 23.959 2.128 1.00 3.14 C ATOM 1441 CG GLU A 89 -10.316 25.428 2.217 1.00 4.12 C ATOM 1442 CD GLU A 89 -9.046 26.285 2.216 1.00 4.75 C ATOM 1443 OE1 GLU A 89 -8.074 25.923 2.919 1.00 4.71 O ATOM 1444 OE2 GLU A 89 -8.997 27.256 1.432 1.00 5.87 O ATOM 0 H GLU A 89 -10.475 21.122 0.908 1.00 2.37 H new ATOM 0 HA GLU A 89 -11.698 22.899 2.713 1.00 2.78 H new ATOM 0 HB2 GLU A 89 -9.398 23.707 3.056 1.00 3.14 H new ATOM 0 HB3 GLU A 89 -9.179 23.872 1.325 1.00 3.14 H new ATOM 0 HG2 GLU A 89 -10.954 25.696 1.375 1.00 4.12 H new ATOM 0 HG3 GLU A 89 -10.893 25.607 3.124 1.00 4.12 H new ATOM 1451 N ASP A 90 -11.219 22.687 -0.546 1.00 2.83 N ATOM 1452 CA ASP A 90 -11.745 22.722 -1.924 1.00 3.36 C ATOM 1453 C ASP A 90 -10.672 22.029 -2.809 1.00 3.68 C ATOM 1454 O ASP A 90 -10.157 20.986 -2.406 1.00 4.05 O ATOM 1455 CB ASP A 90 -12.185 24.167 -2.278 1.00 4.12 C ATOM 1456 CG ASP A 90 -12.408 24.474 -3.761 1.00 5.13 C ATOM 1457 OD1 ASP A 90 -13.430 24.032 -4.324 1.00 5.83 O ATOM 1458 OD2 ASP A 90 -11.500 25.122 -4.337 1.00 5.80 O ATOM 0 H ASP A 90 -10.306 22.233 -0.523 1.00 2.83 H new ATOM 0 HA ASP A 90 -12.667 22.164 -2.089 1.00 3.36 H new ATOM 0 HB2 ASP A 90 -13.110 24.382 -1.743 1.00 4.12 H new ATOM 0 HB3 ASP A 90 -11.430 24.855 -1.898 1.00 4.12 H new ATOM 1463 N ASN A 91 -10.239 22.583 -3.948 1.00 4.36 N ATOM 1464 CA ASN A 91 -9.087 22.111 -4.737 1.00 5.10 C ATOM 1465 C ASN A 91 -7.756 22.565 -4.074 1.00 4.86 C ATOM 1466 O ASN A 91 -6.846 23.083 -4.731 1.00 5.76 O ATOM 1467 CB ASN A 91 -9.287 22.590 -6.195 1.00 6.32 C ATOM 1468 CG ASN A 91 -8.461 21.831 -7.235 1.00 7.62 C ATOM 1469 OD1 ASN A 91 -8.975 21.084 -8.055 1.00 8.46 O ATOM 1470 ND2 ASN A 91 -7.154 22.007 -7.262 1.00 8.26 N ATOM 0 H ASN A 91 -10.693 23.398 -4.362 1.00 4.36 H new ATOM 0 HA ASN A 91 -9.022 21.023 -4.760 1.00 5.10 H new ATOM 0 HB2 ASN A 91 -10.342 22.499 -6.452 1.00 6.32 H new ATOM 0 HB3 ASN A 91 -9.035 23.649 -6.253 1.00 6.32 H new ATOM 0 HD21 ASN A 91 -6.589 21.523 -7.960 1.00 8.26 H new ATOM 0 HD22 ASN A 91 -6.709 22.627 -6.585 1.00 8.26 H new ATOM 1477 N LYS A 92 -7.675 22.450 -2.743 1.00 4.22 N ATOM 1478 CA LYS A 92 -6.764 23.152 -1.821 1.00 4.81 C ATOM 1479 C LYS A 92 -6.955 22.694 -0.376 1.00 5.43 C ATOM 1480 O LYS A 92 -5.999 22.872 0.407 1.00 6.22 O ATOM 1481 CB LYS A 92 -6.972 24.672 -1.925 1.00 5.37 C ATOM 1482 CG LYS A 92 -8.430 25.084 -1.625 1.00 5.53 C ATOM 1483 CD LYS A 92 -8.908 26.155 -2.606 1.00 5.79 C ATOM 1484 CE LYS A 92 -8.334 27.535 -2.286 1.00 6.80 C ATOM 1485 NZ LYS A 92 -8.951 28.072 -1.049 1.00 7.39 N ATOM 1486 OXT LYS A 92 -8.061 22.224 -0.042 1.00 5.86 O ATOM 0 H LYS A 92 -8.293 21.814 -2.239 1.00 4.22 H new ATOM 0 HA LYS A 92 -5.744 22.905 -2.115 1.00 4.81 H new ATOM 0 HB2 LYS A 92 -6.303 25.177 -1.228 1.00 5.37 H new ATOM 0 HB3 LYS A 92 -6.701 25.006 -2.926 1.00 5.37 H new ATOM 0 HG2 LYS A 92 -9.079 24.211 -1.689 1.00 5.53 H new ATOM 0 HG3 LYS A 92 -8.503 25.461 -0.605 1.00 5.53 H new ATOM 0 HD2 LYS A 92 -8.621 25.871 -3.618 1.00 5.79 H new ATOM 0 HD3 LYS A 92 -9.997 26.203 -2.585 1.00 5.79 H new ATOM 0 HE2 LYS A 92 -7.253 27.468 -2.162 1.00 6.80 H new ATOM 0 HE3 LYS A 92 -8.518 28.215 -3.118 1.00 6.80 H new ATOM 0 HZ1 LYS A 92 -8.698 29.075 -0.942 1.00 7.39 H new ATOM 0 HZ2 LYS A 92 -9.985 27.980 -1.109 1.00 7.39 H new ATOM 0 HZ3 LYS A 92 -8.603 27.538 -0.227 1.00 7.39 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -14.641 -0.075 7.684 1.00 5.44 N ATOM 1502 CA MET B 1 -14.068 -1.305 8.270 1.00 5.26 C ATOM 1503 C MET B 1 -13.083 -0.907 9.364 1.00 3.78 C ATOM 1504 O MET B 1 -13.091 0.246 9.774 1.00 3.90 O ATOM 1505 CB MET B 1 -13.390 -2.188 7.203 1.00 6.41 C ATOM 1506 CG MET B 1 -13.593 -3.675 7.519 1.00 8.00 C ATOM 1507 SD MET B 1 -12.674 -4.796 6.435 1.00 9.54 S ATOM 1508 CE MET B 1 -11.870 -5.875 7.653 1.00 10.35 C ATOM 0 H1 MET B 1 -15.465 -0.320 7.099 1.00 5.44 H new ATOM 0 H2 MET B 1 -14.936 0.568 8.446 1.00 5.44 H new ATOM 0 H3 MET B 1 -13.925 0.394 7.094 1.00 5.44 H new ATOM 0 HA MET B 1 -14.872 -1.905 8.697 1.00 5.26 H new ATOM 0 HB2 MET B 1 -13.803 -1.961 6.220 1.00 6.41 H new ATOM 0 HB3 MET B 1 -12.324 -1.962 7.161 1.00 6.41 H new ATOM 0 HG2 MET B 1 -13.295 -3.860 8.551 1.00 8.00 H new ATOM 0 HG3 MET B 1 -14.655 -3.908 7.448 1.00 8.00 H new ATOM 0 HE1 MET B 1 -11.266 -6.621 7.136 1.00 10.35 H new ATOM 0 HE2 MET B 1 -11.231 -5.277 8.303 1.00 10.35 H new ATOM 0 HE3 MET B 1 -12.630 -6.376 8.253 1.00 10.35 H new ATOM 1517 N GLU B 2 -12.226 -1.826 9.802 1.00 3.17 N ATOM 1518 CA GLU B 2 -11.061 -1.578 10.635 1.00 2.07 C ATOM 1519 C GLU B 2 -10.000 -2.583 10.181 1.00 2.00 C ATOM 1520 O GLU B 2 -10.260 -3.788 10.186 1.00 2.83 O ATOM 1521 CB GLU B 2 -11.420 -1.810 12.107 1.00 2.87 C ATOM 1522 CG GLU B 2 -10.230 -1.585 13.054 1.00 4.09 C ATOM 1523 CD GLU B 2 -10.515 -2.086 14.471 1.00 5.65 C ATOM 1524 OE1 GLU B 2 -11.711 -2.227 14.808 1.00 6.20 O ATOM 1525 OE2 GLU B 2 -9.523 -2.338 15.185 1.00 6.87 O ATOM 0 H GLU B 2 -12.335 -2.814 9.571 1.00 3.17 H new ATOM 0 HA GLU B 2 -10.702 -0.553 10.540 1.00 2.07 H new ATOM 0 HB2 GLU B 2 -12.233 -1.141 12.388 1.00 2.87 H new ATOM 0 HB3 GLU B 2 -11.789 -2.828 12.230 1.00 2.87 H new ATOM 0 HG2 GLU B 2 -9.352 -2.097 12.659 1.00 4.09 H new ATOM 0 HG3 GLU B 2 -9.991 -0.522 13.088 1.00 4.09 H new ATOM 1532 N THR B 3 -8.826 -2.096 9.771 1.00 1.35 N ATOM 1533 CA THR B 3 -7.612 -2.914 9.616 1.00 1.25 C ATOM 1534 C THR B 3 -6.378 -2.116 10.086 1.00 0.94 C ATOM 1535 O THR B 3 -6.356 -0.894 9.925 1.00 1.02 O ATOM 1536 CB THR B 3 -7.431 -3.426 8.183 1.00 1.54 C ATOM 1537 OG1 THR B 3 -7.107 -2.356 7.342 1.00 1.47 O ATOM 1538 CG2 THR B 3 -8.620 -4.156 7.564 1.00 2.22 C ATOM 0 H THR B 3 -8.686 -1.114 9.534 1.00 1.35 H new ATOM 0 HA THR B 3 -7.724 -3.798 10.244 1.00 1.25 H new ATOM 0 HB THR B 3 -6.636 -4.167 8.268 1.00 1.54 H new ATOM 0 HG1 THR B 3 -6.150 -2.383 7.133 1.00 1.47 H new ATOM 0 HG21 THR B 3 -8.368 -4.468 6.551 1.00 2.22 H new ATOM 0 HG22 THR B 3 -8.861 -5.033 8.164 1.00 2.22 H new ATOM 0 HG23 THR B 3 -9.481 -3.489 7.534 1.00 2.22 H new ATOM 1546 N PRO B 4 -5.340 -2.757 10.662 1.00 1.02 N ATOM 1547 CA PRO B 4 -4.238 -2.061 11.337 1.00 1.10 C ATOM 1548 C PRO B 4 -3.339 -1.254 10.393 1.00 0.96 C ATOM 1549 O PRO B 4 -2.773 -0.255 10.837 1.00 1.05 O ATOM 1550 CB PRO B 4 -3.449 -3.156 12.067 1.00 1.56 C ATOM 1551 CG PRO B 4 -3.750 -4.418 11.262 1.00 1.68 C ATOM 1552 CD PRO B 4 -5.196 -4.196 10.829 1.00 1.43 C ATOM 0 HA PRO B 4 -4.636 -1.309 12.019 1.00 1.10 H new ATOM 0 HB2 PRO B 4 -2.381 -2.937 12.083 1.00 1.56 H new ATOM 0 HB3 PRO B 4 -3.770 -3.257 13.104 1.00 1.56 H new ATOM 0 HG2 PRO B 4 -3.082 -4.523 10.407 1.00 1.68 H new ATOM 0 HG3 PRO B 4 -3.641 -5.320 11.865 1.00 1.68 H new ATOM 0 HD2 PRO B 4 -5.411 -4.722 9.899 1.00 1.43 H new ATOM 0 HD3 PRO B 4 -5.892 -4.575 11.578 1.00 1.43 H new ATOM 1560 N LEU B 5 -3.208 -1.620 9.109 1.00 0.87 N ATOM 1561 CA LEU B 5 -2.385 -0.838 8.179 1.00 0.79 C ATOM 1562 C LEU B 5 -2.961 0.568 7.920 1.00 0.65 C ATOM 1563 O LEU B 5 -2.173 1.495 7.727 1.00 0.74 O ATOM 1564 CB LEU B 5 -2.139 -1.651 6.894 1.00 0.88 C ATOM 1565 CG LEU B 5 -1.151 -1.016 5.893 1.00 0.96 C ATOM 1566 CD1 LEU B 5 0.228 -0.737 6.505 1.00 1.61 C ATOM 1567 CD2 LEU B 5 -0.996 -1.956 4.686 1.00 1.64 C ATOM 0 H LEU B 5 -3.654 -2.440 8.697 1.00 0.87 H new ATOM 0 HA LEU B 5 -1.415 -0.652 8.640 1.00 0.79 H new ATOM 0 HB2 LEU B 5 -1.766 -2.636 7.173 1.00 0.88 H new ATOM 0 HB3 LEU B 5 -3.094 -1.802 6.391 1.00 0.88 H new ATOM 0 HG LEU B 5 -1.563 -0.053 5.592 1.00 0.96 H new ATOM 0 HD11 LEU B 5 0.877 -0.291 5.751 1.00 1.61 H new ATOM 0 HD12 LEU B 5 0.121 -0.050 7.345 1.00 1.61 H new ATOM 0 HD13 LEU B 5 0.667 -1.672 6.854 1.00 1.61 H new ATOM 0 HD21 LEU B 5 -0.300 -1.518 3.971 1.00 1.64 H new ATOM 0 HD22 LEU B 5 -0.613 -2.920 5.022 1.00 1.64 H new ATOM 0 HD23 LEU B 5 -1.965 -2.098 4.208 1.00 1.64 H new ATOM 1579 N GLU B 6 -4.288 0.748 8.002 1.00 0.64 N ATOM 1580 CA GLU B 6 -4.911 2.080 7.961 1.00 0.65 C ATOM 1581 C GLU B 6 -4.291 2.972 9.042 1.00 0.74 C ATOM 1582 O GLU B 6 -3.851 4.093 8.785 1.00 0.90 O ATOM 1583 CB GLU B 6 -6.453 1.963 8.069 1.00 0.79 C ATOM 1584 CG GLU B 6 -7.145 2.361 9.392 1.00 1.73 C ATOM 1585 CD GLU B 6 -7.209 3.881 9.593 1.00 2.49 C ATOM 1586 OE1 GLU B 6 -7.849 4.521 8.735 1.00 2.80 O ATOM 1587 OE2 GLU B 6 -6.607 4.403 10.565 1.00 3.99 O ATOM 0 H GLU B 6 -4.955 -0.018 8.098 1.00 0.64 H new ATOM 0 HA GLU B 6 -4.712 2.557 7.001 1.00 0.65 H new ATOM 0 HB2 GLU B 6 -6.885 2.573 7.276 1.00 0.79 H new ATOM 0 HB3 GLU B 6 -6.720 0.928 7.857 1.00 0.79 H new ATOM 0 HG2 GLU B 6 -8.156 1.954 9.405 1.00 1.73 H new ATOM 0 HG3 GLU B 6 -6.609 1.910 10.227 1.00 1.73 H new ATOM 1594 N LYS B 7 -4.129 2.430 10.250 1.00 0.78 N ATOM 1595 CA LYS B 7 -3.749 3.222 11.408 1.00 0.92 C ATOM 1596 C LYS B 7 -2.309 3.761 11.289 1.00 0.93 C ATOM 1597 O LYS B 7 -1.944 4.734 11.961 1.00 1.08 O ATOM 1598 CB LYS B 7 -4.057 2.366 12.647 1.00 1.07 C ATOM 1599 CG LYS B 7 -3.687 2.996 13.978 1.00 2.46 C ATOM 1600 CD LYS B 7 -2.240 2.605 14.289 1.00 4.18 C ATOM 1601 CE LYS B 7 -1.583 3.737 15.051 1.00 5.72 C ATOM 1602 NZ LYS B 7 -2.106 3.914 16.428 1.00 6.91 N ATOM 0 H LYS B 7 -4.258 1.437 10.447 1.00 0.78 H new ATOM 0 HA LYS B 7 -4.327 4.143 11.491 1.00 0.92 H new ATOM 0 HB2 LYS B 7 -5.123 2.138 12.655 1.00 1.07 H new ATOM 0 HB3 LYS B 7 -3.529 1.417 12.553 1.00 1.07 H new ATOM 0 HG2 LYS B 7 -3.789 4.080 13.930 1.00 2.46 H new ATOM 0 HG3 LYS B 7 -4.355 2.648 14.765 1.00 2.46 H new ATOM 0 HD2 LYS B 7 -2.215 1.688 14.878 1.00 4.18 H new ATOM 0 HD3 LYS B 7 -1.696 2.405 13.366 1.00 4.18 H new ATOM 0 HE2 LYS B 7 -0.510 3.554 15.101 1.00 5.72 H new ATOM 0 HE3 LYS B 7 -1.723 4.665 14.497 1.00 5.72 H new ATOM 0 HZ1 LYS B 7 -1.611 4.705 16.888 1.00 6.91 H new ATOM 0 HZ2 LYS B 7 -3.125 4.119 16.389 1.00 6.91 H new ATOM 0 HZ3 LYS B 7 -1.949 3.043 16.974 1.00 6.91 H new ATOM 1616 N ALA B 8 -1.473 3.149 10.444 1.00 0.84 N ATOM 1617 CA ALA B 8 -0.158 3.690 10.100 1.00 0.83 C ATOM 1618 C ALA B 8 -0.292 5.048 9.394 1.00 0.76 C ATOM 1619 O ALA B 8 0.323 6.020 9.839 1.00 0.75 O ATOM 1620 CB ALA B 8 0.608 2.672 9.244 1.00 0.95 C ATOM 0 H ALA B 8 -1.690 2.266 9.981 1.00 0.84 H new ATOM 0 HA ALA B 8 0.411 3.864 11.013 1.00 0.83 H new ATOM 0 HB1 ALA B 8 1.588 3.076 8.988 1.00 0.95 H new ATOM 0 HB2 ALA B 8 0.733 1.746 9.805 1.00 0.95 H new ATOM 0 HB3 ALA B 8 0.049 2.471 8.330 1.00 0.95 H new ATOM 1626 N LEU B 9 -1.163 5.141 8.381 1.00 0.78 N ATOM 1627 CA LEU B 9 -1.497 6.394 7.699 1.00 0.80 C ATOM 1628 C LEU B 9 -2.218 7.374 8.634 1.00 0.73 C ATOM 1629 O LEU B 9 -1.940 8.575 8.550 1.00 0.80 O ATOM 1630 CB LEU B 9 -2.365 6.133 6.448 1.00 0.86 C ATOM 1631 CG LEU B 9 -1.722 5.423 5.238 1.00 0.76 C ATOM 1632 CD1 LEU B 9 -0.435 6.122 4.769 1.00 0.78 C ATOM 1633 CD2 LEU B 9 -1.468 3.927 5.478 1.00 0.79 C ATOM 0 H LEU B 9 -1.662 4.334 8.008 1.00 0.78 H new ATOM 0 HA LEU B 9 -0.555 6.846 7.388 1.00 0.80 H new ATOM 0 HB2 LEU B 9 -3.226 5.541 6.760 1.00 0.86 H new ATOM 0 HB3 LEU B 9 -2.747 7.094 6.103 1.00 0.86 H new ATOM 0 HG LEU B 9 -2.459 5.497 4.438 1.00 0.76 H new ATOM 0 HD11 LEU B 9 -0.020 5.586 3.916 1.00 0.78 H new ATOM 0 HD12 LEU B 9 -0.663 7.147 4.477 1.00 0.78 H new ATOM 0 HD13 LEU B 9 0.292 6.130 5.581 1.00 0.78 H new ATOM 0 HD21 LEU B 9 -1.015 3.488 4.589 1.00 0.79 H new ATOM 0 HD22 LEU B 9 -0.795 3.804 6.327 1.00 0.79 H new ATOM 0 HD23 LEU B 9 -2.413 3.427 5.688 1.00 0.79 H new ATOM 1645 N THR B 10 -3.070 6.894 9.559 1.00 0.71 N ATOM 1646 CA THR B 10 -3.733 7.787 10.529 1.00 0.69 C ATOM 1647 C THR B 10 -2.714 8.454 11.437 1.00 0.70 C ATOM 1648 O THR B 10 -2.764 9.670 11.613 1.00 0.72 O ATOM 1649 CB THR B 10 -4.850 7.065 11.282 1.00 0.74 C ATOM 1650 OG1 THR B 10 -5.873 6.917 10.337 1.00 1.15 O ATOM 1651 CG2 THR B 10 -5.417 7.884 12.438 1.00 1.29 C ATOM 0 H THR B 10 -3.313 5.908 9.655 1.00 0.71 H new ATOM 0 HA THR B 10 -4.224 8.592 9.983 1.00 0.69 H new ATOM 0 HB THR B 10 -4.468 6.135 11.704 1.00 0.74 H new ATOM 0 HG1 THR B 10 -6.413 6.130 10.560 1.00 1.15 H new ATOM 0 HG21 THR B 10 -6.206 7.317 12.933 1.00 1.29 H new ATOM 0 HG22 THR B 10 -4.624 8.102 13.153 1.00 1.29 H new ATOM 0 HG23 THR B 10 -5.827 8.819 12.055 1.00 1.29 H new ATOM 1659 N THR B 11 -1.718 7.700 11.925 1.00 0.70 N ATOM 1660 CA THR B 11 -0.560 8.264 12.650 1.00 0.70 C ATOM 1661 C THR B 11 0.098 9.335 11.795 1.00 0.74 C ATOM 1662 O THR B 11 0.158 10.466 12.254 1.00 0.84 O ATOM 1663 CB THR B 11 0.453 7.191 13.070 1.00 0.82 C ATOM 1664 OG1 THR B 11 -0.208 6.056 13.585 1.00 0.86 O ATOM 1665 CG2 THR B 11 1.373 7.692 14.184 1.00 0.88 C ATOM 0 H THR B 11 -1.688 6.685 11.831 1.00 0.70 H new ATOM 0 HA THR B 11 -0.927 8.710 13.574 1.00 0.70 H new ATOM 0 HB THR B 11 1.028 6.948 12.176 1.00 0.82 H new ATOM 0 HG1 THR B 11 -0.673 5.591 12.859 1.00 0.86 H new ATOM 0 HG21 THR B 11 2.077 6.906 14.456 1.00 0.88 H new ATOM 0 HG22 THR B 11 1.923 8.567 13.836 1.00 0.88 H new ATOM 0 HG23 THR B 11 0.776 7.961 15.055 1.00 0.88 H new ATOM 1673 N MET B 12 0.456 9.025 10.543 1.00 0.76 N ATOM 1674 CA MET B 12 1.101 9.974 9.622 1.00 0.86 C ATOM 1675 C MET B 12 0.288 11.261 9.407 1.00 0.91 C ATOM 1676 O MET B 12 0.843 12.345 9.541 1.00 1.01 O ATOM 1677 CB MET B 12 1.401 9.288 8.277 1.00 0.94 C ATOM 1678 CG MET B 12 2.460 8.187 8.374 1.00 0.91 C ATOM 1679 SD MET B 12 2.654 7.189 6.876 1.00 1.07 S ATOM 1680 CE MET B 12 4.339 6.589 7.149 1.00 0.73 C ATOM 0 H MET B 12 0.306 8.102 10.136 1.00 0.76 H new ATOM 0 HA MET B 12 2.036 10.281 10.091 1.00 0.86 H new ATOM 0 HB2 MET B 12 0.479 8.860 7.883 1.00 0.94 H new ATOM 0 HB3 MET B 12 1.735 10.040 7.562 1.00 0.94 H new ATOM 0 HG2 MET B 12 3.419 8.645 8.616 1.00 0.91 H new ATOM 0 HG3 MET B 12 2.204 7.527 9.203 1.00 0.91 H new ATOM 0 HE1 MET B 12 4.636 5.949 6.318 1.00 0.73 H new ATOM 0 HE2 MET B 12 5.021 7.437 7.216 1.00 0.73 H new ATOM 0 HE3 MET B 12 4.376 6.019 8.077 1.00 0.73 H new ATOM 1690 N VAL B 13 -1.021 11.197 9.130 1.00 0.90 N ATOM 1691 CA VAL B 13 -1.818 12.432 8.945 1.00 0.99 C ATOM 1692 C VAL B 13 -1.988 13.210 10.262 1.00 0.95 C ATOM 1693 O VAL B 13 -1.931 14.443 10.246 1.00 1.02 O ATOM 1694 CB VAL B 13 -3.176 12.211 8.237 1.00 1.06 C ATOM 1695 CG1 VAL B 13 -2.977 11.638 6.824 1.00 1.13 C ATOM 1696 CG2 VAL B 13 -4.136 11.321 9.035 1.00 0.97 C ATOM 0 H VAL B 13 -1.547 10.329 9.030 1.00 0.90 H new ATOM 0 HA VAL B 13 -1.231 13.046 8.263 1.00 0.99 H new ATOM 0 HB VAL B 13 -3.639 13.195 8.165 1.00 1.06 H new ATOM 0 HG11 VAL B 13 -3.948 11.493 6.350 1.00 1.13 H new ATOM 0 HG12 VAL B 13 -2.383 12.333 6.230 1.00 1.13 H new ATOM 0 HG13 VAL B 13 -2.458 10.681 6.889 1.00 1.13 H new ATOM 0 HG21 VAL B 13 -5.069 11.206 8.483 1.00 0.97 H new ATOM 0 HG22 VAL B 13 -3.682 10.342 9.188 1.00 0.97 H new ATOM 0 HG23 VAL B 13 -4.340 11.781 10.002 1.00 0.97 H new ATOM 1706 N THR B 14 -2.116 12.524 11.415 1.00 0.87 N ATOM 1707 CA THR B 14 -2.187 13.197 12.726 1.00 0.87 C ATOM 1708 C THR B 14 -0.894 13.875 13.100 1.00 0.82 C ATOM 1709 O THR B 14 -0.972 14.900 13.780 1.00 1.02 O ATOM 1710 CB THR B 14 -2.567 12.302 13.904 1.00 0.96 C ATOM 1711 OG1 THR B 14 -1.632 11.288 14.152 1.00 2.34 O ATOM 1712 CG2 THR B 14 -3.973 11.760 13.787 1.00 1.81 C ATOM 0 H THR B 14 -2.172 11.507 11.465 1.00 0.87 H new ATOM 0 HA THR B 14 -2.988 13.919 12.567 1.00 0.87 H new ATOM 0 HB THR B 14 -2.548 12.950 14.781 1.00 0.96 H new ATOM 0 HG1 THR B 14 -1.088 11.142 13.350 1.00 2.34 H new ATOM 0 HG21 THR B 14 -4.193 11.130 14.649 1.00 1.81 H new ATOM 0 HG22 THR B 14 -4.681 12.588 13.753 1.00 1.81 H new ATOM 0 HG23 THR B 14 -4.061 11.170 12.875 1.00 1.81 H new ATOM 1720 N THR B 15 0.266 13.312 12.749 1.00 0.73 N ATOM 1721 CA THR B 15 1.536 13.931 13.091 1.00 0.79 C ATOM 1722 C THR B 15 1.793 15.078 12.132 1.00 0.91 C ATOM 1723 O THR B 15 1.817 16.216 12.580 1.00 1.20 O ATOM 1724 CB THR B 15 2.701 12.929 13.098 1.00 0.81 C ATOM 1725 OG1 THR B 15 2.624 12.072 11.991 1.00 1.53 O ATOM 1726 CG2 THR B 15 2.678 12.063 14.355 1.00 1.11 C ATOM 0 H THR B 15 0.345 12.436 12.233 1.00 0.73 H new ATOM 0 HA THR B 15 1.472 14.311 14.111 1.00 0.79 H new ATOM 0 HB THR B 15 3.620 13.513 13.065 1.00 0.81 H new ATOM 0 HG1 THR B 15 3.511 11.982 11.585 1.00 1.53 H new ATOM 0 HG21 THR B 15 3.514 11.364 14.331 1.00 1.11 H new ATOM 0 HG22 THR B 15 2.762 12.699 15.236 1.00 1.11 H new ATOM 0 HG23 THR B 15 1.742 11.507 14.397 1.00 1.11 H new ATOM 1734 N PHE B 16 1.852 14.792 10.830 1.00 0.78 N ATOM 1735 CA PHE B 16 2.172 15.717 9.738 1.00 0.73 C ATOM 1736 C PHE B 16 1.313 16.992 9.732 1.00 0.71 C ATOM 1737 O PHE B 16 1.825 18.092 9.510 1.00 0.75 O ATOM 1738 CB PHE B 16 2.016 14.925 8.428 1.00 0.69 C ATOM 1739 CG PHE B 16 2.518 15.607 7.171 1.00 0.63 C ATOM 1740 CD1 PHE B 16 1.822 16.698 6.619 1.00 2.04 C ATOM 1741 CD2 PHE B 16 3.678 15.125 6.533 1.00 2.02 C ATOM 1742 CE1 PHE B 16 2.311 17.331 5.467 1.00 1.92 C ATOM 1743 CE2 PHE B 16 4.133 15.724 5.351 1.00 2.20 C ATOM 1744 CZ PHE B 16 3.449 16.829 4.815 1.00 0.81 C ATOM 0 H PHE B 16 1.666 13.849 10.487 1.00 0.78 H new ATOM 0 HA PHE B 16 3.190 16.084 9.866 1.00 0.73 H new ATOM 0 HB2 PHE B 16 2.542 13.976 8.536 1.00 0.69 H new ATOM 0 HB3 PHE B 16 0.960 14.691 8.293 1.00 0.69 H new ATOM 0 HD1 PHE B 16 0.911 17.048 7.082 1.00 2.04 H new ATOM 0 HD2 PHE B 16 4.218 14.291 6.956 1.00 2.02 H new ATOM 0 HE1 PHE B 16 1.811 18.207 5.080 1.00 1.92 H new ATOM 0 HE2 PHE B 16 5.009 15.337 4.852 1.00 2.20 H new ATOM 0 HZ PHE B 16 3.798 17.291 3.903 1.00 0.81 H new ATOM 1754 N HIS B 17 0.002 16.897 9.990 1.00 0.73 N ATOM 1755 CA HIS B 17 -0.883 18.070 10.019 1.00 0.77 C ATOM 1756 C HIS B 17 -0.481 19.084 11.116 1.00 0.87 C ATOM 1757 O HIS B 17 -0.655 20.289 10.944 1.00 1.04 O ATOM 1758 CB HIS B 17 -2.345 17.630 10.168 1.00 0.85 C ATOM 1759 CG HIS B 17 -3.334 18.768 10.026 1.00 1.28 C ATOM 1760 ND1 HIS B 17 -3.515 19.825 10.898 1.00 2.31 N ATOM 1761 CD2 HIS B 17 -4.184 18.978 8.975 1.00 1.33 C ATOM 1762 CE1 HIS B 17 -4.459 20.631 10.395 1.00 2.59 C ATOM 1763 NE2 HIS B 17 -4.885 20.163 9.218 1.00 1.94 N ATOM 0 H HIS B 17 -0.472 16.015 10.183 1.00 0.73 H new ATOM 0 HA HIS B 17 -0.773 18.590 9.067 1.00 0.77 H new ATOM 0 HB2 HIS B 17 -2.566 16.871 9.418 1.00 0.85 H new ATOM 0 HB3 HIS B 17 -2.478 17.163 11.144 1.00 0.85 H new ATOM 0 HD2 HIS B 17 -4.294 18.341 8.110 1.00 1.33 H new ATOM 0 HE1 HIS B 17 -4.823 21.529 10.872 1.00 2.59 H new ATOM 0 HE2 HIS B 17 -5.587 20.589 8.613 1.00 1.94 H new ATOM 1772 N LYS B 18 0.108 18.639 12.233 1.00 0.90 N ATOM 1773 CA LYS B 18 0.597 19.545 13.294 1.00 1.02 C ATOM 1774 C LYS B 18 1.819 20.390 12.873 1.00 0.85 C ATOM 1775 O LYS B 18 2.229 21.261 13.632 1.00 0.95 O ATOM 1776 CB LYS B 18 0.910 18.747 14.574 1.00 1.29 C ATOM 1777 CG LYS B 18 -0.306 18.047 15.188 1.00 2.17 C ATOM 1778 CD LYS B 18 0.085 17.415 16.531 1.00 2.95 C ATOM 1779 CE LYS B 18 -1.046 16.565 17.124 1.00 4.64 C ATOM 1780 NZ LYS B 18 -1.115 15.229 16.485 1.00 5.84 N ATOM 0 H LYS B 18 0.261 17.650 12.431 1.00 0.90 H new ATOM 0 HA LYS B 18 -0.209 20.253 13.487 1.00 1.02 H new ATOM 0 HB2 LYS B 18 1.670 17.999 14.346 1.00 1.29 H new ATOM 0 HB3 LYS B 18 1.339 19.422 15.314 1.00 1.29 H new ATOM 0 HG2 LYS B 18 -1.115 18.763 15.334 1.00 2.17 H new ATOM 0 HG3 LYS B 18 -0.678 17.280 14.509 1.00 2.17 H new ATOM 0 HD2 LYS B 18 0.970 16.794 16.394 1.00 2.95 H new ATOM 0 HD3 LYS B 18 0.354 18.202 17.236 1.00 2.95 H new ATOM 0 HE2 LYS B 18 -0.891 16.449 18.197 1.00 4.64 H new ATOM 0 HE3 LYS B 18 -1.997 17.081 16.994 1.00 4.64 H new ATOM 0 HZ1 LYS B 18 -2.085 14.860 16.556 1.00 5.84 H new ATOM 0 HZ2 LYS B 18 -0.848 15.309 15.483 1.00 5.84 H new ATOM 0 HZ3 LYS B 18 -0.461 14.580 16.967 1.00 5.84 H new ATOM 1794 N TYR B 19 2.402 20.130 11.697 1.00 0.75 N ATOM 1795 CA TYR B 19 3.623 20.765 11.182 1.00 0.67 C ATOM 1796 C TYR B 19 3.386 21.398 9.790 1.00 0.84 C ATOM 1797 O TYR B 19 4.326 21.707 9.064 1.00 1.77 O ATOM 1798 CB TYR B 19 4.751 19.722 11.160 1.00 0.64 C ATOM 1799 CG TYR B 19 5.159 19.125 12.505 1.00 0.68 C ATOM 1800 CD1 TYR B 19 4.317 18.205 13.153 1.00 2.12 C ATOM 1801 CD2 TYR B 19 6.433 19.380 13.052 1.00 1.65 C ATOM 1802 CE1 TYR B 19 4.730 17.527 14.313 1.00 2.25 C ATOM 1803 CE2 TYR B 19 6.858 18.713 14.217 1.00 1.60 C ATOM 1804 CZ TYR B 19 6.009 17.783 14.855 1.00 0.90 C ATOM 1805 OH TYR B 19 6.432 17.103 15.956 1.00 1.07 O ATOM 0 H TYR B 19 2.020 19.441 11.049 1.00 0.75 H new ATOM 0 HA TYR B 19 3.915 21.584 11.839 1.00 0.67 H new ATOM 0 HB2 TYR B 19 4.448 18.906 10.504 1.00 0.64 H new ATOM 0 HB3 TYR B 19 5.631 20.182 10.711 1.00 0.64 H new ATOM 0 HD1 TYR B 19 3.333 18.015 12.751 1.00 2.12 H new ATOM 0 HD2 TYR B 19 7.088 20.093 12.574 1.00 1.65 H new ATOM 0 HE1 TYR B 19 4.072 16.814 14.788 1.00 2.25 H new ATOM 0 HE2 TYR B 19 7.838 18.914 14.624 1.00 1.60 H new ATOM 0 HH TYR B 19 7.335 17.399 16.197 1.00 1.07 H new ATOM 1815 N SER B 20 2.120 21.576 9.394 1.00 1.07 N ATOM 1816 CA SER B 20 1.725 22.087 8.071 1.00 0.99 C ATOM 1817 C SER B 20 0.406 22.866 8.188 1.00 1.09 C ATOM 1818 O SER B 20 0.364 24.088 8.022 1.00 1.64 O ATOM 1819 CB SER B 20 1.608 20.905 7.091 1.00 1.05 C ATOM 1820 OG SER B 20 0.789 19.854 7.590 1.00 1.32 O ATOM 0 H SER B 20 1.323 21.365 9.995 1.00 1.07 H new ATOM 0 HA SER B 20 2.479 22.775 7.688 1.00 0.99 H new ATOM 0 HB2 SER B 20 1.198 21.262 6.146 1.00 1.05 H new ATOM 0 HB3 SER B 20 2.603 20.515 6.879 1.00 1.05 H new ATOM 0 HG SER B 20 1.293 19.330 8.247 1.00 1.32 H new ATOM 1826 N GLY B 21 -0.652 22.188 8.652 1.00 1.19 N ATOM 1827 CA GLY B 21 -1.959 22.741 9.026 1.00 1.49 C ATOM 1828 C GLY B 21 -1.948 23.558 10.327 1.00 1.63 C ATOM 1829 O GLY B 21 -2.942 23.599 11.046 1.00 2.16 O ATOM 0 H GLY B 21 -0.615 21.177 8.784 1.00 1.19 H new ATOM 0 HA2 GLY B 21 -2.318 23.375 8.215 1.00 1.49 H new ATOM 0 HA3 GLY B 21 -2.671 21.922 9.130 1.00 1.49 H new ATOM 1832 N ARG B 22 -0.823 24.226 10.590 1.00 1.62 N ATOM 1833 CA ARG B 22 -0.717 25.451 11.386 1.00 2.08 C ATOM 1834 C ARG B 22 -1.002 26.692 10.526 1.00 2.42 C ATOM 1835 O ARG B 22 -1.639 27.621 11.006 1.00 3.08 O ATOM 1836 CB ARG B 22 0.729 25.574 11.886 1.00 2.11 C ATOM 1837 CG ARG B 22 1.064 24.714 13.113 1.00 2.49 C ATOM 1838 CD ARG B 22 2.487 24.143 13.073 1.00 2.24 C ATOM 1839 NE ARG B 22 3.508 25.079 12.585 1.00 2.13 N ATOM 1840 CZ ARG B 22 4.746 24.742 12.263 1.00 2.79 C ATOM 1841 NH1 ARG B 22 5.329 23.658 12.736 1.00 3.72 N ATOM 1842 NH2 ARG B 22 5.392 25.508 11.423 1.00 3.63 N ATOM 0 H ARG B 22 0.081 23.913 10.237 1.00 1.62 H new ATOM 0 HA ARG B 22 -1.436 25.397 12.203 1.00 2.08 H new ATOM 0 HB2 ARG B 22 1.403 25.301 11.074 1.00 2.11 H new ATOM 0 HB3 ARG B 22 0.927 26.618 12.127 1.00 2.11 H new ATOM 0 HG2 ARG B 22 0.945 25.315 14.015 1.00 2.49 H new ATOM 0 HG3 ARG B 22 0.350 23.893 13.180 1.00 2.49 H new ATOM 0 HD2 ARG B 22 2.762 23.817 14.076 1.00 2.24 H new ATOM 0 HD3 ARG B 22 2.491 23.257 12.437 1.00 2.24 H new ATOM 0 HE ARG B 22 3.244 26.059 12.487 1.00 2.13 H new ATOM 0 HH11 ARG B 22 4.823 23.044 13.375 1.00 3.72 H new ATOM 0 HH12 ARG B 22 6.286 23.433 12.463 1.00 3.72 H new ATOM 0 HH21 ARG B 22 4.940 26.337 11.037 1.00 3.63 H new ATOM 0 HH22 ARG B 22 6.348 25.277 11.154 1.00 3.63 H new ATOM 1856 N GLU B 23 -0.497 26.706 9.287 1.00 2.15 N ATOM 1857 CA GLU B 23 -0.252 27.942 8.527 1.00 2.47 C ATOM 1858 C GLU B 23 -0.808 27.934 7.087 1.00 2.42 C ATOM 1859 O GLU B 23 -0.993 29.017 6.534 1.00 3.49 O ATOM 1860 CB GLU B 23 1.271 28.206 8.526 1.00 2.81 C ATOM 1861 CG GLU B 23 1.772 28.809 9.856 1.00 3.62 C ATOM 1862 CD GLU B 23 3.160 28.308 10.270 1.00 4.21 C ATOM 1863 OE1 GLU B 23 3.214 27.210 10.873 1.00 5.10 O ATOM 1864 OE2 GLU B 23 4.157 29.025 10.043 1.00 4.63 O ATOM 0 H GLU B 23 -0.245 25.858 8.779 1.00 2.15 H new ATOM 0 HA GLU B 23 -0.798 28.744 9.023 1.00 2.47 H new ATOM 0 HB2 GLU B 23 1.798 27.271 8.335 1.00 2.81 H new ATOM 0 HB3 GLU B 23 1.518 28.884 7.709 1.00 2.81 H new ATOM 0 HG2 GLU B 23 1.798 29.895 9.766 1.00 3.62 H new ATOM 0 HG3 GLU B 23 1.058 28.572 10.645 1.00 3.62 H new ATOM 1871 N GLY B 24 -1.113 26.780 6.468 1.00 2.47 N ATOM 1872 CA GLY B 24 -1.720 26.772 5.126 1.00 2.55 C ATOM 1873 C GLY B 24 -1.823 25.415 4.434 1.00 2.03 C ATOM 1874 O GLY B 24 -2.837 24.729 4.546 1.00 2.81 O ATOM 0 H GLY B 24 -0.952 25.855 6.868 1.00 2.47 H new ATOM 0 HA2 GLY B 24 -2.722 27.193 5.202 1.00 2.55 H new ATOM 0 HA3 GLY B 24 -1.142 27.439 4.486 1.00 2.55 H new ATOM 1877 N SER B 25 -0.811 25.064 3.647 1.00 1.65 N ATOM 1878 CA SER B 25 -0.764 23.905 2.752 1.00 1.66 C ATOM 1879 C SER B 25 -0.651 22.573 3.523 1.00 1.68 C ATOM 1880 O SER B 25 0.423 22.028 3.757 1.00 2.12 O ATOM 1881 CB SER B 25 0.381 24.123 1.737 1.00 2.13 C ATOM 1882 OG SER B 25 1.481 24.829 2.306 1.00 3.52 O ATOM 0 H SER B 25 0.050 25.610 3.612 1.00 1.65 H new ATOM 0 HA SER B 25 -1.704 23.822 2.207 1.00 1.66 H new ATOM 0 HB2 SER B 25 0.724 23.157 1.367 1.00 2.13 H new ATOM 0 HB3 SER B 25 0.002 24.677 0.878 1.00 2.13 H new ATOM 0 HG SER B 25 2.307 24.573 1.846 1.00 3.52 H new ATOM 1888 N LYS B 26 -1.784 21.996 3.940 1.00 1.41 N ATOM 1889 CA LYS B 26 -1.829 20.971 4.991 1.00 1.30 C ATOM 1890 C LYS B 26 -1.430 19.543 4.533 1.00 1.19 C ATOM 1891 O LYS B 26 -1.751 18.544 5.177 1.00 1.22 O ATOM 1892 CB LYS B 26 -3.144 21.108 5.788 1.00 1.35 C ATOM 1893 CG LYS B 26 -4.481 21.079 5.020 1.00 2.16 C ATOM 1894 CD LYS B 26 -4.930 22.399 4.359 1.00 2.83 C ATOM 1895 CE LYS B 26 -6.393 22.315 3.902 1.00 2.63 C ATOM 1896 NZ LYS B 26 -6.788 23.391 2.956 1.00 3.60 N ATOM 0 H LYS B 26 -2.700 22.228 3.556 1.00 1.41 H new ATOM 0 HA LYS B 26 -1.022 21.162 5.698 1.00 1.30 H new ATOM 0 HB2 LYS B 26 -3.169 20.306 6.525 1.00 1.35 H new ATOM 0 HB3 LYS B 26 -3.100 22.047 6.340 1.00 1.35 H new ATOM 0 HG2 LYS B 26 -4.411 20.317 4.244 1.00 2.16 H new ATOM 0 HG3 LYS B 26 -5.263 20.761 5.710 1.00 2.16 H new ATOM 0 HD2 LYS B 26 -4.812 23.222 5.064 1.00 2.83 H new ATOM 0 HD3 LYS B 26 -4.290 22.618 3.504 1.00 2.83 H new ATOM 0 HE2 LYS B 26 -6.561 21.348 3.428 1.00 2.63 H new ATOM 0 HE3 LYS B 26 -7.041 22.358 4.778 1.00 2.63 H new ATOM 0 HZ1 LYS B 26 -7.543 23.044 2.331 1.00 3.60 H new ATOM 0 HZ2 LYS B 26 -7.133 24.214 3.490 1.00 3.60 H new ATOM 0 HZ3 LYS B 26 -5.965 23.670 2.384 1.00 3.60 H new ATOM 1910 N LEU B 27 -0.671 19.452 3.430 1.00 1.35 N ATOM 1911 CA LEU B 27 -0.077 18.239 2.840 1.00 1.41 C ATOM 1912 C LEU B 27 1.421 18.383 2.485 1.00 1.35 C ATOM 1913 O LEU B 27 2.022 17.411 2.021 1.00 1.37 O ATOM 1914 CB LEU B 27 -0.878 17.860 1.581 1.00 1.67 C ATOM 1915 CG LEU B 27 -2.266 17.253 1.856 1.00 2.05 C ATOM 1916 CD1 LEU B 27 -2.957 17.056 0.502 1.00 2.16 C ATOM 1917 CD2 LEU B 27 -2.172 15.902 2.579 1.00 3.13 C ATOM 0 H LEU B 27 -0.439 20.283 2.887 1.00 1.35 H new ATOM 0 HA LEU B 27 -0.130 17.456 3.596 1.00 1.41 H new ATOM 0 HB2 LEU B 27 -1.002 18.751 0.965 1.00 1.67 H new ATOM 0 HB3 LEU B 27 -0.295 17.148 0.997 1.00 1.67 H new ATOM 0 HG LEU B 27 -2.827 17.926 2.504 1.00 2.05 H new ATOM 0 HD11 LEU B 27 -3.946 16.626 0.658 1.00 2.16 H new ATOM 0 HD12 LEU B 27 -3.054 18.018 -0.000 1.00 2.16 H new ATOM 0 HD13 LEU B 27 -2.362 16.383 -0.116 1.00 2.16 H new ATOM 0 HD21 LEU B 27 -3.175 15.511 2.752 1.00 3.13 H new ATOM 0 HD22 LEU B 27 -1.610 15.199 1.965 1.00 3.13 H new ATOM 0 HD23 LEU B 27 -1.665 16.035 3.534 1.00 3.13 H new ATOM 1929 N THR B 28 2.011 19.560 2.719 1.00 1.33 N ATOM 1930 CA THR B 28 3.427 19.896 2.499 1.00 1.28 C ATOM 1931 C THR B 28 4.000 20.634 3.711 1.00 1.21 C ATOM 1932 O THR B 28 3.249 21.103 4.564 1.00 1.25 O ATOM 1933 CB THR B 28 3.574 20.762 1.242 1.00 1.25 C ATOM 1934 OG1 THR B 28 2.525 21.689 1.179 1.00 1.20 O ATOM 1935 CG2 THR B 28 3.550 19.979 -0.065 1.00 1.63 C ATOM 0 H THR B 28 1.485 20.352 3.089 1.00 1.33 H new ATOM 0 HA THR B 28 3.984 18.969 2.361 1.00 1.28 H new ATOM 0 HB THR B 28 4.551 21.236 1.336 1.00 1.25 H new ATOM 0 HG1 THR B 28 2.879 22.593 1.313 1.00 1.20 H new ATOM 0 HG21 THR B 28 3.660 20.667 -0.903 1.00 1.63 H new ATOM 0 HG22 THR B 28 4.371 19.262 -0.075 1.00 1.63 H new ATOM 0 HG23 THR B 28 2.602 19.447 -0.153 1.00 1.63 H new ATOM 1943 N LEU B 29 5.331 20.733 3.802 1.00 1.17 N ATOM 1944 CA LEU B 29 6.068 21.465 4.850 1.00 1.12 C ATOM 1945 C LEU B 29 7.516 21.753 4.425 1.00 1.17 C ATOM 1946 O LEU B 29 8.004 21.181 3.450 1.00 1.25 O ATOM 1947 CB LEU B 29 5.968 20.753 6.222 1.00 1.02 C ATOM 1948 CG LEU B 29 6.840 19.500 6.443 1.00 0.93 C ATOM 1949 CD1 LEU B 29 6.508 18.873 7.804 1.00 0.93 C ATOM 1950 CD2 LEU B 29 6.635 18.425 5.375 1.00 0.92 C ATOM 0 H LEU B 29 5.952 20.290 3.124 1.00 1.17 H new ATOM 0 HA LEU B 29 5.590 22.436 4.978 1.00 1.12 H new ATOM 0 HB2 LEU B 29 6.220 21.478 6.996 1.00 1.02 H new ATOM 0 HB3 LEU B 29 4.927 20.469 6.378 1.00 1.02 H new ATOM 0 HG LEU B 29 7.875 19.838 6.392 1.00 0.93 H new ATOM 0 HD11 LEU B 29 7.126 17.988 7.957 1.00 0.93 H new ATOM 0 HD12 LEU B 29 6.706 19.596 8.596 1.00 0.93 H new ATOM 0 HD13 LEU B 29 5.456 18.590 7.827 1.00 0.93 H new ATOM 0 HD21 LEU B 29 7.278 17.571 5.590 1.00 0.92 H new ATOM 0 HD22 LEU B 29 5.593 18.104 5.377 1.00 0.92 H new ATOM 0 HD23 LEU B 29 6.888 18.832 4.396 1.00 0.92 H new ATOM 1962 N SER B 30 8.222 22.662 5.099 1.00 1.14 N ATOM 1963 CA SER B 30 9.558 23.068 4.630 1.00 1.13 C ATOM 1964 C SER B 30 10.622 21.968 4.797 1.00 1.14 C ATOM 1965 O SER B 30 10.557 21.147 5.720 1.00 1.15 O ATOM 1966 CB SER B 30 10.036 24.375 5.282 1.00 1.23 C ATOM 1967 OG SER B 30 10.382 24.209 6.652 1.00 1.83 O ATOM 0 H SER B 30 7.906 23.124 5.951 1.00 1.14 H new ATOM 0 HA SER B 30 9.438 23.243 3.561 1.00 1.13 H new ATOM 0 HB2 SER B 30 10.900 24.754 4.736 1.00 1.23 H new ATOM 0 HB3 SER B 30 9.251 25.127 5.198 1.00 1.23 H new ATOM 0 HG SER B 30 10.681 25.067 7.020 1.00 1.83 H new ATOM 1973 N ARG B 31 11.682 22.002 3.974 1.00 1.18 N ATOM 1974 CA ARG B 31 12.821 21.075 4.108 1.00 1.21 C ATOM 1975 C ARG B 31 13.424 21.054 5.532 1.00 1.12 C ATOM 1976 O ARG B 31 14.053 20.071 5.928 1.00 1.23 O ATOM 1977 CB ARG B 31 13.948 21.419 3.123 1.00 1.49 C ATOM 1978 CG ARG B 31 13.627 21.889 1.694 1.00 1.45 C ATOM 1979 CD ARG B 31 12.735 20.980 0.850 1.00 1.19 C ATOM 1980 NE ARG B 31 13.339 19.677 0.524 1.00 1.62 N ATOM 1981 CZ ARG B 31 13.836 19.286 -0.647 1.00 2.10 C ATOM 1982 NH1 ARG B 31 14.133 20.118 -1.625 1.00 2.99 N ATOM 1983 NH2 ARG B 31 14.030 18.001 -0.873 1.00 2.67 N ATOM 0 H ARG B 31 11.775 22.665 3.204 1.00 1.18 H new ATOM 0 HA ARG B 31 12.409 20.091 3.887 1.00 1.21 H new ATOM 0 HB2 ARG B 31 14.554 22.197 3.588 1.00 1.49 H new ATOM 0 HB3 ARG B 31 14.578 20.534 3.035 1.00 1.49 H new ATOM 0 HG2 ARG B 31 13.150 22.867 1.758 1.00 1.45 H new ATOM 0 HG3 ARG B 31 14.569 22.027 1.163 1.00 1.45 H new ATOM 0 HD2 ARG B 31 11.799 20.811 1.383 1.00 1.19 H new ATOM 0 HD3 ARG B 31 12.485 21.495 -0.078 1.00 1.19 H new ATOM 0 HE ARG B 31 13.381 18.996 1.282 1.00 1.62 H new ATOM 0 HH11 ARG B 31 13.984 21.120 -1.505 1.00 2.99 H new ATOM 0 HH12 ARG B 31 14.512 19.760 -2.502 1.00 2.99 H new ATOM 0 HH21 ARG B 31 13.799 17.316 -0.153 1.00 2.67 H new ATOM 0 HH22 ARG B 31 14.410 17.692 -1.768 1.00 2.67 H new ATOM 1997 N LYS B 32 13.276 22.150 6.293 1.00 1.06 N ATOM 1998 CA LYS B 32 13.673 22.240 7.706 1.00 1.09 C ATOM 1999 C LYS B 32 12.661 21.554 8.640 1.00 1.01 C ATOM 2000 O LYS B 32 13.063 20.680 9.401 1.00 1.13 O ATOM 2001 CB LYS B 32 13.880 23.715 8.101 1.00 1.26 C ATOM 2002 CG LYS B 32 14.931 24.469 7.270 1.00 1.57 C ATOM 2003 CD LYS B 32 16.348 23.883 7.372 1.00 3.00 C ATOM 2004 CE LYS B 32 17.243 24.735 6.471 1.00 3.95 C ATOM 2005 NZ LYS B 32 18.612 24.191 6.314 1.00 5.38 N ATOM 0 H LYS B 32 12.869 23.015 5.936 1.00 1.06 H new ATOM 0 HA LYS B 32 14.616 21.705 7.822 1.00 1.09 H new ATOM 0 HB2 LYS B 32 12.927 24.236 8.013 1.00 1.26 H new ATOM 0 HB3 LYS B 32 14.170 23.757 9.151 1.00 1.26 H new ATOM 0 HG2 LYS B 32 14.622 24.466 6.225 1.00 1.57 H new ATOM 0 HG3 LYS B 32 14.956 25.510 7.593 1.00 1.57 H new ATOM 0 HD2 LYS B 32 16.703 23.906 8.402 1.00 3.00 H new ATOM 0 HD3 LYS B 32 16.359 22.840 7.054 1.00 3.00 H new ATOM 0 HE2 LYS B 32 16.780 24.820 5.488 1.00 3.95 H new ATOM 0 HE3 LYS B 32 17.306 25.742 6.883 1.00 3.95 H new ATOM 0 HZ1 LYS B 32 18.908 24.277 5.321 1.00 5.38 H new ATOM 0 HZ2 LYS B 32 19.269 24.724 6.919 1.00 5.38 H new ATOM 0 HZ3 LYS B 32 18.621 23.189 6.592 1.00 5.38 H new ATOM 2019 N GLU B 33 11.380 21.915 8.554 1.00 0.91 N ATOM 2020 CA GLU B 33 10.294 21.389 9.386 1.00 0.79 C ATOM 2021 C GLU B 33 10.227 19.851 9.372 1.00 0.77 C ATOM 2022 O GLU B 33 10.129 19.228 10.426 1.00 0.78 O ATOM 2023 CB GLU B 33 8.992 21.995 8.845 1.00 0.90 C ATOM 2024 CG GLU B 33 7.794 21.787 9.767 1.00 1.18 C ATOM 2025 CD GLU B 33 7.731 22.823 10.880 1.00 1.56 C ATOM 2026 OE1 GLU B 33 7.607 24.027 10.573 1.00 2.31 O ATOM 2027 OE2 GLU B 33 7.680 22.427 12.059 1.00 2.46 O ATOM 0 H GLU B 33 11.057 22.607 7.878 1.00 0.91 H new ATOM 0 HA GLU B 33 10.463 21.664 10.427 1.00 0.79 H new ATOM 0 HB2 GLU B 33 9.137 23.064 8.686 1.00 0.90 H new ATOM 0 HB3 GLU B 33 8.772 21.555 7.872 1.00 0.90 H new ATOM 0 HG2 GLU B 33 6.876 21.831 9.181 1.00 1.18 H new ATOM 0 HG3 GLU B 33 7.845 20.790 10.205 1.00 1.18 H new ATOM 2034 N LEU B 34 10.347 19.229 8.190 1.00 0.76 N ATOM 2035 CA LEU B 34 10.287 17.769 8.064 1.00 0.68 C ATOM 2036 C LEU B 34 11.424 17.065 8.820 1.00 0.69 C ATOM 2037 O LEU B 34 11.203 16.087 9.532 1.00 0.68 O ATOM 2038 CB LEU B 34 10.302 17.406 6.571 1.00 0.71 C ATOM 2039 CG LEU B 34 10.306 15.878 6.318 1.00 0.78 C ATOM 2040 CD1 LEU B 34 9.280 15.496 5.258 1.00 1.55 C ATOM 2041 CD2 LEU B 34 11.694 15.376 5.888 1.00 2.01 C ATOM 0 H LEU B 34 10.487 19.718 7.306 1.00 0.76 H new ATOM 0 HA LEU B 34 9.363 17.417 8.524 1.00 0.68 H new ATOM 0 HB2 LEU B 34 9.430 17.846 6.087 1.00 0.71 H new ATOM 0 HB3 LEU B 34 11.182 17.848 6.104 1.00 0.71 H new ATOM 0 HG LEU B 34 10.042 15.402 7.262 1.00 0.78 H new ATOM 0 HD11 LEU B 34 9.304 14.418 5.100 1.00 1.55 H new ATOM 0 HD12 LEU B 34 8.285 15.792 5.591 1.00 1.55 H new ATOM 0 HD13 LEU B 34 9.516 16.005 4.323 1.00 1.55 H new ATOM 0 HD21 LEU B 34 11.656 14.300 5.720 1.00 2.01 H new ATOM 0 HD22 LEU B 34 11.993 15.877 4.967 1.00 2.01 H new ATOM 0 HD23 LEU B 34 12.419 15.595 6.672 1.00 2.01 H new ATOM 2053 N LYS B 35 12.661 17.548 8.671 1.00 0.82 N ATOM 2054 CA LYS B 35 13.819 16.923 9.317 1.00 0.99 C ATOM 2055 C LYS B 35 13.751 17.001 10.857 1.00 1.03 C ATOM 2056 O LYS B 35 14.334 16.149 11.524 1.00 1.09 O ATOM 2057 CB LYS B 35 15.106 17.489 8.680 1.00 1.30 C ATOM 2058 CG LYS B 35 15.777 18.647 9.440 1.00 1.02 C ATOM 2059 CD LYS B 35 16.547 19.569 8.488 1.00 1.48 C ATOM 2060 CE LYS B 35 17.678 18.883 7.719 1.00 2.50 C ATOM 2061 NZ LYS B 35 18.898 18.726 8.538 1.00 3.02 N ATOM 0 H LYS B 35 12.886 18.369 8.109 1.00 0.82 H new ATOM 0 HA LYS B 35 13.819 15.849 9.133 1.00 0.99 H new ATOM 0 HB2 LYS B 35 15.827 16.678 8.582 1.00 1.30 H new ATOM 0 HB3 LYS B 35 14.870 17.830 7.672 1.00 1.30 H new ATOM 0 HG2 LYS B 35 15.019 19.222 9.972 1.00 1.02 H new ATOM 0 HG3 LYS B 35 16.458 18.245 10.190 1.00 1.02 H new ATOM 0 HD2 LYS B 35 15.846 19.999 7.772 1.00 1.48 H new ATOM 0 HD3 LYS B 35 16.964 20.397 9.062 1.00 1.48 H new ATOM 0 HE2 LYS B 35 17.342 17.903 7.380 1.00 2.50 H new ATOM 0 HE3 LYS B 35 17.914 19.465 6.828 1.00 2.50 H new ATOM 0 HZ1 LYS B 35 19.734 18.953 7.962 1.00 3.02 H new ATOM 0 HZ2 LYS B 35 18.854 19.370 9.353 1.00 3.02 H new ATOM 0 HZ3 LYS B 35 18.966 17.745 8.875 1.00 3.02 H new ATOM 2075 N GLU B 36 13.032 17.996 11.391 1.00 1.03 N ATOM 2076 CA GLU B 36 12.686 18.130 12.809 1.00 1.06 C ATOM 2077 C GLU B 36 11.509 17.207 13.197 1.00 0.83 C ATOM 2078 O GLU B 36 11.658 16.393 14.110 1.00 0.94 O ATOM 2079 CB GLU B 36 12.395 19.620 13.073 1.00 1.26 C ATOM 2080 CG GLU B 36 12.009 19.981 14.514 1.00 1.23 C ATOM 2081 CD GLU B 36 13.170 19.932 15.504 1.00 2.20 C ATOM 2082 OE1 GLU B 36 13.934 18.940 15.504 1.00 3.45 O ATOM 2083 OE2 GLU B 36 13.178 20.743 16.455 1.00 2.84 O ATOM 0 H GLU B 36 12.662 18.759 10.824 1.00 1.03 H new ATOM 0 HA GLU B 36 13.514 17.808 13.441 1.00 1.06 H new ATOM 0 HB2 GLU B 36 13.278 20.197 12.798 1.00 1.26 H new ATOM 0 HB3 GLU B 36 11.589 19.936 12.411 1.00 1.26 H new ATOM 0 HG2 GLU B 36 11.580 20.983 14.523 1.00 1.23 H new ATOM 0 HG3 GLU B 36 11.229 19.298 14.851 1.00 1.23 H new ATOM 2090 N LEU B 37 10.384 17.265 12.464 1.00 0.66 N ATOM 2091 CA LEU B 37 9.210 16.379 12.585 1.00 0.60 C ATOM 2092 C LEU B 37 9.623 14.921 12.790 1.00 0.62 C ATOM 2093 O LEU B 37 9.228 14.325 13.790 1.00 0.71 O ATOM 2094 CB LEU B 37 8.329 16.564 11.324 1.00 0.65 C ATOM 2095 CG LEU B 37 7.246 15.493 11.072 1.00 0.70 C ATOM 2096 CD1 LEU B 37 6.068 15.584 12.035 1.00 1.19 C ATOM 2097 CD2 LEU B 37 6.699 15.601 9.642 1.00 1.09 C ATOM 0 H LEU B 37 10.261 17.966 11.734 1.00 0.66 H new ATOM 0 HA LEU B 37 8.633 16.650 13.469 1.00 0.60 H new ATOM 0 HB2 LEU B 37 7.838 17.535 11.391 1.00 0.65 H new ATOM 0 HB3 LEU B 37 8.984 16.597 10.453 1.00 0.65 H new ATOM 0 HG LEU B 37 7.743 14.536 11.231 1.00 0.70 H new ATOM 0 HD11 LEU B 37 5.345 14.802 11.801 1.00 1.19 H new ATOM 0 HD12 LEU B 37 6.423 15.455 13.057 1.00 1.19 H new ATOM 0 HD13 LEU B 37 5.592 16.560 11.936 1.00 1.19 H new ATOM 0 HD21 LEU B 37 5.937 14.837 9.485 1.00 1.09 H new ATOM 0 HD22 LEU B 37 6.260 16.588 9.494 1.00 1.09 H new ATOM 0 HD23 LEU B 37 7.511 15.455 8.930 1.00 1.09 H new ATOM 2109 N ILE B 38 10.448 14.362 11.904 1.00 0.69 N ATOM 2110 CA ILE B 38 10.846 12.941 11.944 1.00 0.97 C ATOM 2111 C ILE B 38 11.529 12.568 13.275 1.00 1.24 C ATOM 2112 O ILE B 38 11.208 11.536 13.859 1.00 1.68 O ATOM 2113 CB ILE B 38 11.689 12.617 10.685 1.00 0.99 C ATOM 2114 CG1 ILE B 38 10.759 12.679 9.447 1.00 1.27 C ATOM 2115 CG2 ILE B 38 12.379 11.240 10.794 1.00 1.45 C ATOM 2116 CD1 ILE B 38 11.464 12.483 8.104 1.00 1.46 C ATOM 0 H ILE B 38 10.865 14.880 11.131 1.00 0.69 H new ATOM 0 HA ILE B 38 9.959 12.308 11.915 1.00 0.97 H new ATOM 0 HB ILE B 38 12.487 13.353 10.589 1.00 0.99 H new ATOM 0 HG12 ILE B 38 9.988 11.916 9.551 1.00 1.27 H new ATOM 0 HG13 ILE B 38 10.253 13.644 9.438 1.00 1.27 H new ATOM 0 HG21 ILE B 38 12.960 11.052 9.891 1.00 1.45 H new ATOM 0 HG22 ILE B 38 13.041 11.232 11.660 1.00 1.45 H new ATOM 0 HG23 ILE B 38 11.624 10.463 10.908 1.00 1.45 H new ATOM 0 HD11 ILE B 38 10.733 12.543 7.297 1.00 1.46 H new ATOM 0 HD12 ILE B 38 12.216 13.261 7.971 1.00 1.46 H new ATOM 0 HD13 ILE B 38 11.946 11.506 8.085 1.00 1.46 H new ATOM 2128 N LYS B 39 12.392 13.429 13.830 1.00 1.18 N ATOM 2129 CA LYS B 39 13.040 13.219 15.131 1.00 1.44 C ATOM 2130 C LYS B 39 12.090 13.354 16.346 1.00 1.58 C ATOM 2131 O LYS B 39 12.417 12.887 17.438 1.00 1.99 O ATOM 2132 CB LYS B 39 14.208 14.219 15.219 1.00 1.55 C ATOM 2133 CG LYS B 39 15.479 13.779 14.470 1.00 1.51 C ATOM 2134 CD LYS B 39 16.253 12.668 15.203 1.00 1.89 C ATOM 2135 CE LYS B 39 17.558 12.378 14.454 1.00 2.19 C ATOM 2136 NZ LYS B 39 18.428 11.405 15.154 1.00 2.82 N ATOM 0 H LYS B 39 12.663 14.304 13.381 1.00 1.18 H new ATOM 0 HA LYS B 39 13.388 12.187 15.183 1.00 1.44 H new ATOM 0 HB2 LYS B 39 13.880 15.179 14.820 1.00 1.55 H new ATOM 0 HB3 LYS B 39 14.456 14.378 16.268 1.00 1.55 H new ATOM 0 HG2 LYS B 39 15.205 13.428 13.475 1.00 1.51 H new ATOM 0 HG3 LYS B 39 16.132 14.641 14.335 1.00 1.51 H new ATOM 0 HD2 LYS B 39 16.469 12.974 16.227 1.00 1.89 H new ATOM 0 HD3 LYS B 39 15.646 11.765 15.262 1.00 1.89 H new ATOM 0 HE2 LYS B 39 17.322 11.996 13.461 1.00 2.19 H new ATOM 0 HE3 LYS B 39 18.105 13.311 14.315 1.00 2.19 H new ATOM 0 HZ1 LYS B 39 18.910 10.804 14.455 1.00 2.82 H new ATOM 0 HZ2 LYS B 39 19.136 11.916 15.718 1.00 2.82 H new ATOM 0 HZ3 LYS B 39 17.849 10.810 15.781 1.00 2.82 H new ATOM 2150 N LYS B 40 10.918 13.982 16.179 1.00 1.32 N ATOM 2151 CA LYS B 40 9.832 14.058 17.175 1.00 1.44 C ATOM 2152 C LYS B 40 8.784 12.939 17.007 1.00 1.53 C ATOM 2153 O LYS B 40 8.206 12.485 17.996 1.00 1.86 O ATOM 2154 CB LYS B 40 9.154 15.442 17.063 1.00 1.30 C ATOM 2155 CG LYS B 40 9.791 16.568 17.885 1.00 1.63 C ATOM 2156 CD LYS B 40 11.217 16.947 17.473 1.00 1.70 C ATOM 2157 CE LYS B 40 11.608 18.239 18.191 1.00 1.82 C ATOM 2158 NZ LYS B 40 13.044 18.553 18.027 1.00 2.56 N ATOM 0 H LYS B 40 10.688 14.471 15.314 1.00 1.32 H new ATOM 0 HA LYS B 40 10.273 13.921 18.162 1.00 1.44 H new ATOM 0 HB2 LYS B 40 9.152 15.740 16.015 1.00 1.30 H new ATOM 0 HB3 LYS B 40 8.112 15.341 17.368 1.00 1.30 H new ATOM 0 HG2 LYS B 40 9.160 17.454 17.809 1.00 1.63 H new ATOM 0 HG3 LYS B 40 9.799 16.271 18.934 1.00 1.63 H new ATOM 0 HD2 LYS B 40 11.910 16.147 17.731 1.00 1.70 H new ATOM 0 HD3 LYS B 40 11.275 17.083 16.393 1.00 1.70 H new ATOM 0 HE2 LYS B 40 11.010 19.064 17.803 1.00 1.82 H new ATOM 0 HE3 LYS B 40 11.376 18.148 19.252 1.00 1.82 H new ATOM 0 HZ1 LYS B 40 13.171 19.584 17.984 1.00 2.56 H new ATOM 0 HZ2 LYS B 40 13.577 18.172 18.835 1.00 2.56 H new ATOM 0 HZ3 LYS B 40 13.395 18.124 17.147 1.00 2.56 H new ATOM 2172 N GLU B 41 8.550 12.491 15.774 1.00 1.36 N ATOM 2173 CA GLU B 41 7.749 11.318 15.420 1.00 1.54 C ATOM 2174 C GLU B 41 8.400 9.999 15.865 1.00 1.44 C ATOM 2175 O GLU B 41 7.699 9.069 16.274 1.00 1.69 O ATOM 2176 CB GLU B 41 7.595 11.285 13.895 1.00 1.82 C ATOM 2177 CG GLU B 41 6.630 12.336 13.343 1.00 1.94 C ATOM 2178 CD GLU B 41 6.409 12.115 11.852 1.00 3.63 C ATOM 2179 OE1 GLU B 41 7.423 12.061 11.125 1.00 4.63 O ATOM 2180 OE2 GLU B 41 5.231 11.991 11.439 1.00 4.67 O ATOM 0 H GLU B 41 8.933 12.960 14.953 1.00 1.36 H new ATOM 0 HA GLU B 41 6.790 11.405 15.931 1.00 1.54 H new ATOM 0 HB2 GLU B 41 8.574 11.430 13.438 1.00 1.82 H new ATOM 0 HB3 GLU B 41 7.248 10.296 13.597 1.00 1.82 H new ATOM 0 HG2 GLU B 41 5.678 12.280 13.871 1.00 1.94 H new ATOM 0 HG3 GLU B 41 7.031 13.335 13.515 1.00 1.94 H new ATOM 2187 N LEU B 42 9.736 9.915 15.767 1.00 1.32 N ATOM 2188 CA LEU B 42 10.497 8.693 15.988 1.00 1.49 C ATOM 2189 C LEU B 42 11.880 8.987 16.588 1.00 1.48 C ATOM 2190 O LEU B 42 12.905 9.026 15.900 1.00 2.20 O ATOM 2191 CB LEU B 42 10.561 7.928 14.648 1.00 1.83 C ATOM 2192 CG LEU B 42 10.589 6.417 14.878 1.00 1.89 C ATOM 2193 CD1 LEU B 42 10.459 5.675 13.538 1.00 2.06 C ATOM 2194 CD2 LEU B 42 11.834 5.918 15.634 1.00 2.40 C ATOM 0 H LEU B 42 10.321 10.715 15.527 1.00 1.32 H new ATOM 0 HA LEU B 42 10.003 8.063 16.728 1.00 1.49 H new ATOM 0 HB2 LEU B 42 9.699 8.190 14.035 1.00 1.83 H new ATOM 0 HB3 LEU B 42 11.450 8.231 14.095 1.00 1.83 H new ATOM 0 HG LEU B 42 9.736 6.197 15.520 1.00 1.89 H new ATOM 0 HD11 LEU B 42 10.480 4.600 13.714 1.00 2.06 H new ATOM 0 HD12 LEU B 42 9.517 5.946 13.062 1.00 2.06 H new ATOM 0 HD13 LEU B 42 11.288 5.952 12.887 1.00 2.06 H new ATOM 0 HD21 LEU B 42 11.776 4.836 15.756 1.00 2.40 H new ATOM 0 HD22 LEU B 42 12.730 6.172 15.067 1.00 2.40 H new ATOM 0 HD23 LEU B 42 11.878 6.392 16.615 1.00 2.40 H new ATOM 2206 N CYS B 43 11.942 9.141 17.911 1.00 1.57 N ATOM 2207 CA CYS B 43 13.228 9.200 18.604 1.00 1.62 C ATOM 2208 C CYS B 43 13.735 7.789 18.958 1.00 2.65 C ATOM 2209 O CYS B 43 13.109 7.045 19.715 1.00 4.14 O ATOM 2210 CB CYS B 43 13.188 10.186 19.779 1.00 2.00 C ATOM 2211 SG CYS B 43 12.105 9.633 21.122 1.00 3.56 S ATOM 0 H CYS B 43 11.127 9.226 18.518 1.00 1.57 H new ATOM 0 HA CYS B 43 13.978 9.608 17.926 1.00 1.62 H new ATOM 0 HB2 CYS B 43 14.198 10.324 20.166 1.00 2.00 H new ATOM 0 HB3 CYS B 43 12.848 11.158 19.421 1.00 2.00 H new ATOM 0 HG CYS B 43 12.096 8.334 21.165 1.00 3.56 H new ATOM 2217 N LEU B 44 14.881 7.434 18.379 1.00 2.41 N ATOM 2218 CA LEU B 44 15.767 6.372 18.823 1.00 3.44 C ATOM 2219 C LEU B 44 16.508 6.877 20.081 1.00 4.65 C ATOM 2220 O LEU B 44 15.909 6.974 21.149 1.00 6.47 O ATOM 2221 CB LEU B 44 16.671 6.024 17.616 1.00 3.50 C ATOM 2222 CG LEU B 44 15.903 5.576 16.346 1.00 3.10 C ATOM 2223 CD1 LEU B 44 16.872 5.190 15.218 1.00 3.75 C ATOM 2224 CD2 LEU B 44 14.852 4.478 16.580 1.00 4.44 C ATOM 0 H LEU B 44 15.230 7.907 17.545 1.00 2.41 H new ATOM 0 HA LEU B 44 15.266 5.452 19.123 1.00 3.44 H new ATOM 0 HB2 LEU B 44 17.278 6.895 17.370 1.00 3.50 H new ATOM 0 HB3 LEU B 44 17.357 5.230 17.909 1.00 3.50 H new ATOM 0 HG LEU B 44 15.330 6.451 16.039 1.00 3.10 H new ATOM 0 HD11 LEU B 44 16.304 4.880 14.341 1.00 3.75 H new ATOM 0 HD12 LEU B 44 17.494 6.048 14.963 1.00 3.75 H new ATOM 0 HD13 LEU B 44 17.506 4.367 15.549 1.00 3.75 H new ATOM 0 HD21 LEU B 44 14.368 4.231 15.635 1.00 4.44 H new ATOM 0 HD22 LEU B 44 15.338 3.589 16.982 1.00 4.44 H new ATOM 0 HD23 LEU B 44 14.105 4.835 17.289 1.00 4.44 H new ATOM 2236 N GLY B 45 17.770 7.258 19.923 1.00 3.94 N ATOM 2237 CA GLY B 45 18.549 8.129 20.806 1.00 4.65 C ATOM 2238 C GLY B 45 19.684 8.734 19.991 1.00 3.30 C ATOM 2239 O GLY B 45 19.706 9.928 19.713 1.00 3.78 O ATOM 0 H GLY B 45 18.317 6.947 19.120 1.00 3.94 H new ATOM 0 HA2 GLY B 45 17.917 8.914 21.220 1.00 4.65 H new ATOM 0 HA3 GLY B 45 18.945 7.561 21.648 1.00 4.65 H new ATOM 2242 N GLU B 46 20.528 7.833 19.500 1.00 2.42 N ATOM 2243 CA GLU B 46 21.758 8.045 18.729 1.00 2.17 C ATOM 2244 C GLU B 46 21.915 7.042 17.560 1.00 2.18 C ATOM 2245 O GLU B 46 22.610 7.346 16.592 1.00 3.45 O ATOM 2246 CB GLU B 46 22.959 7.940 19.691 1.00 3.30 C ATOM 2247 CG GLU B 46 23.215 6.537 20.273 1.00 4.40 C ATOM 2248 CD GLU B 46 22.015 5.991 21.044 1.00 4.82 C ATOM 2249 OE1 GLU B 46 21.834 6.390 22.207 1.00 5.70 O ATOM 2250 OE2 GLU B 46 21.171 5.330 20.389 1.00 4.91 O ATOM 0 H GLU B 46 20.355 6.838 19.643 1.00 2.42 H new ATOM 0 HA GLU B 46 21.710 9.035 18.275 1.00 2.17 H new ATOM 0 HB2 GLU B 46 23.856 8.266 19.164 1.00 3.30 H new ATOM 0 HB3 GLU B 46 22.804 8.635 20.516 1.00 3.30 H new ATOM 0 HG2 GLU B 46 23.463 5.852 19.463 1.00 4.40 H new ATOM 0 HG3 GLU B 46 24.080 6.575 20.935 1.00 4.40 H new ATOM 2257 N MET B 47 21.274 5.862 17.643 1.00 1.78 N ATOM 2258 CA MET B 47 21.437 4.693 16.750 1.00 2.07 C ATOM 2259 C MET B 47 21.597 5.001 15.254 1.00 1.70 C ATOM 2260 O MET B 47 22.379 4.346 14.565 1.00 2.17 O ATOM 2261 CB MET B 47 20.248 3.740 16.916 1.00 2.85 C ATOM 2262 CG MET B 47 20.057 3.193 18.338 1.00 3.67 C ATOM 2263 SD MET B 47 18.931 1.778 18.480 1.00 4.42 S ATOM 2264 CE MET B 47 17.612 2.296 17.357 1.00 3.54 C ATOM 0 H MET B 47 20.588 5.685 18.377 1.00 1.78 H new ATOM 0 HA MET B 47 22.380 4.248 17.067 1.00 2.07 H new ATOM 0 HB2 MET B 47 19.338 4.260 16.616 1.00 2.85 H new ATOM 0 HB3 MET B 47 20.375 2.900 16.232 1.00 2.85 H new ATOM 0 HG2 MET B 47 21.031 2.902 18.731 1.00 3.67 H new ATOM 0 HG3 MET B 47 19.685 3.998 18.972 1.00 3.67 H new ATOM 0 HE1 MET B 47 16.796 1.575 17.397 1.00 3.54 H new ATOM 0 HE2 MET B 47 17.244 3.278 17.656 1.00 3.54 H new ATOM 0 HE3 MET B 47 18.000 2.348 16.340 1.00 3.54 H new ATOM 2274 N LYS B 48 20.838 5.961 14.711 1.00 1.78 N ATOM 2275 CA LYS B 48 20.985 6.449 13.352 1.00 2.21 C ATOM 2276 C LYS B 48 21.140 7.969 13.271 1.00 2.70 C ATOM 2277 O LYS B 48 20.222 8.710 13.608 1.00 3.40 O ATOM 2278 CB LYS B 48 19.770 5.992 12.544 1.00 2.59 C ATOM 2279 CG LYS B 48 19.801 4.489 12.281 1.00 2.69 C ATOM 2280 CD LYS B 48 20.964 3.975 11.417 1.00 3.21 C ATOM 2281 CE LYS B 48 21.056 4.697 10.064 1.00 4.65 C ATOM 2282 NZ LYS B 48 22.017 4.025 9.159 1.00 5.97 N ATOM 0 H LYS B 48 20.089 6.425 15.225 1.00 1.78 H new ATOM 0 HA LYS B 48 21.905 6.034 12.941 1.00 2.21 H new ATOM 0 HB2 LYS B 48 18.857 6.249 13.082 1.00 2.59 H new ATOM 0 HB3 LYS B 48 19.742 6.527 11.595 1.00 2.59 H new ATOM 0 HG2 LYS B 48 19.834 3.974 13.241 1.00 2.69 H new ATOM 0 HG3 LYS B 48 18.865 4.206 11.799 1.00 2.69 H new ATOM 0 HD2 LYS B 48 21.900 4.106 11.959 1.00 3.21 H new ATOM 0 HD3 LYS B 48 20.841 2.905 11.247 1.00 3.21 H new ATOM 0 HE2 LYS B 48 20.072 4.725 9.597 1.00 4.65 H new ATOM 0 HE3 LYS B 48 21.363 5.731 10.221 1.00 4.65 H new ATOM 0 HZ1 LYS B 48 22.276 4.671 8.386 1.00 5.97 H new ATOM 0 HZ2 LYS B 48 22.871 3.762 9.692 1.00 5.97 H new ATOM 0 HZ3 LYS B 48 21.580 3.169 8.762 1.00 5.97 H new ATOM 2296 N GLU B 49 22.275 8.353 12.692 1.00 2.73 N ATOM 2297 CA GLU B 49 22.630 9.681 12.170 1.00 3.22 C ATOM 2298 C GLU B 49 23.555 9.464 10.950 1.00 2.45 C ATOM 2299 O GLU B 49 23.341 9.987 9.857 1.00 3.17 O ATOM 2300 CB GLU B 49 23.361 10.544 13.228 1.00 4.31 C ATOM 2301 CG GLU B 49 22.764 10.644 14.645 1.00 5.21 C ATOM 2302 CD GLU B 49 21.430 11.390 14.758 1.00 6.69 C ATOM 2303 OE1 GLU B 49 20.757 11.651 13.737 1.00 7.14 O ATOM 2304 OE2 GLU B 49 20.972 11.617 15.902 1.00 7.88 O ATOM 0 H GLU B 49 23.039 7.690 12.562 1.00 2.73 H new ATOM 0 HA GLU B 49 21.720 10.215 11.896 1.00 3.22 H new ATOM 0 HB2 GLU B 49 24.376 10.159 13.324 1.00 4.31 H new ATOM 0 HB3 GLU B 49 23.440 11.556 12.831 1.00 4.31 H new ATOM 0 HG2 GLU B 49 22.628 9.635 15.033 1.00 5.21 H new ATOM 0 HG3 GLU B 49 23.490 11.138 15.290 1.00 5.21 H new ATOM 2311 N SER B 50 24.564 8.594 11.092 1.00 2.06 N ATOM 2312 CA SER B 50 25.484 8.227 10.017 1.00 2.03 C ATOM 2313 C SER B 50 24.795 7.566 8.803 1.00 2.05 C ATOM 2314 O SER B 50 23.969 6.653 8.922 1.00 3.29 O ATOM 2315 CB SER B 50 26.615 7.349 10.575 1.00 2.71 C ATOM 2316 OG SER B 50 26.127 6.344 11.455 1.00 4.06 O ATOM 0 H SER B 50 24.764 8.120 11.973 1.00 2.06 H new ATOM 0 HA SER B 50 25.905 9.155 9.630 1.00 2.03 H new ATOM 0 HB2 SER B 50 27.150 6.879 9.749 1.00 2.71 H new ATOM 0 HB3 SER B 50 27.333 7.976 11.104 1.00 2.71 H new ATOM 0 HG SER B 50 26.877 5.807 11.786 1.00 4.06 H new ATOM 2322 N SER B 51 25.146 8.076 7.616 1.00 1.60 N ATOM 2323 CA SER B 51 24.637 7.653 6.299 1.00 1.75 C ATOM 2324 C SER B 51 23.141 7.939 6.084 1.00 1.67 C ATOM 2325 O SER B 51 22.613 7.562 5.045 1.00 2.20 O ATOM 2326 CB SER B 51 24.994 6.189 5.997 1.00 2.23 C ATOM 2327 OG SER B 51 26.400 6.003 6.078 1.00 2.99 O ATOM 0 H SER B 51 25.826 8.832 7.541 1.00 1.60 H new ATOM 0 HA SER B 51 25.153 8.279 5.571 1.00 1.75 H new ATOM 0 HB2 SER B 51 24.491 5.530 6.705 1.00 2.23 H new ATOM 0 HB3 SER B 51 24.640 5.918 5.002 1.00 2.23 H new ATOM 0 HG SER B 51 26.618 5.067 5.886 1.00 2.99 H new ATOM 2333 N ILE B 52 22.477 8.638 7.015 1.00 1.41 N ATOM 2334 CA ILE B 52 21.196 9.317 6.747 1.00 1.55 C ATOM 2335 C ILE B 52 21.307 10.844 6.758 1.00 1.30 C ATOM 2336 O ILE B 52 20.469 11.511 6.158 1.00 1.51 O ATOM 2337 CB ILE B 52 20.048 8.779 7.633 1.00 1.92 C ATOM 2338 CG1 ILE B 52 20.146 9.017 9.158 1.00 2.08 C ATOM 2339 CG2 ILE B 52 19.892 7.267 7.370 1.00 2.53 C ATOM 2340 CD1 ILE B 52 19.909 10.470 9.604 1.00 2.05 C ATOM 0 H ILE B 52 22.809 8.750 7.973 1.00 1.41 H new ATOM 0 HA ILE B 52 20.928 9.063 5.722 1.00 1.55 H new ATOM 0 HB ILE B 52 19.181 9.368 7.334 1.00 1.92 H new ATOM 0 HG12 ILE B 52 19.420 8.376 9.658 1.00 2.08 H new ATOM 0 HG13 ILE B 52 21.134 8.705 9.497 1.00 2.08 H new ATOM 0 HG21 ILE B 52 19.086 6.872 7.988 1.00 2.53 H new ATOM 0 HG22 ILE B 52 19.657 7.103 6.318 1.00 2.53 H new ATOM 0 HG23 ILE B 52 20.823 6.757 7.618 1.00 2.53 H new ATOM 0 HD11 ILE B 52 19.998 10.537 10.688 1.00 2.05 H new ATOM 0 HD12 ILE B 52 20.650 11.119 9.138 1.00 2.05 H new ATOM 0 HD13 ILE B 52 18.910 10.785 9.302 1.00 2.05 H new ATOM 2352 N ASP B 53 22.355 11.407 7.370 1.00 1.06 N ATOM 2353 CA ASP B 53 22.576 12.849 7.328 1.00 1.07 C ATOM 2354 C ASP B 53 22.854 13.370 5.907 1.00 1.02 C ATOM 2355 O ASP B 53 22.507 14.508 5.639 1.00 1.08 O ATOM 2356 CB ASP B 53 23.652 13.282 8.331 1.00 1.33 C ATOM 2357 CG ASP B 53 23.682 14.812 8.496 1.00 1.90 C ATOM 2358 OD1 ASP B 53 22.603 15.439 8.651 1.00 2.66 O ATOM 2359 OD2 ASP B 53 24.776 15.419 8.430 1.00 2.66 O ATOM 0 H ASP B 53 23.057 10.886 7.896 1.00 1.06 H new ATOM 0 HA ASP B 53 21.642 13.318 7.636 1.00 1.07 H new ATOM 0 HB2 ASP B 53 23.461 12.814 9.297 1.00 1.33 H new ATOM 0 HB3 ASP B 53 24.628 12.932 7.994 1.00 1.33 H new ATOM 2364 N ASP B 54 23.369 12.573 4.960 1.00 1.05 N ATOM 2365 CA ASP B 54 23.438 12.972 3.538 1.00 1.13 C ATOM 2366 C ASP B 54 22.049 13.280 2.950 1.00 1.08 C ATOM 2367 O ASP B 54 21.864 14.254 2.211 1.00 1.19 O ATOM 2368 CB ASP B 54 24.106 11.877 2.698 1.00 1.34 C ATOM 2369 CG ASP B 54 24.158 12.315 1.225 1.00 1.60 C ATOM 2370 OD1 ASP B 54 25.081 13.093 0.891 1.00 2.37 O ATOM 2371 OD2 ASP B 54 23.246 11.928 0.457 1.00 2.39 O ATOM 0 H ASP B 54 23.746 11.644 5.149 1.00 1.05 H new ATOM 0 HA ASP B 54 24.035 13.883 3.501 1.00 1.13 H new ATOM 0 HB2 ASP B 54 25.114 11.686 3.067 1.00 1.34 H new ATOM 0 HB3 ASP B 54 23.550 10.944 2.791 1.00 1.34 H new ATOM 2376 N LEU B 55 21.045 12.489 3.339 1.00 0.99 N ATOM 2377 CA LEU B 55 19.654 12.697 2.952 1.00 1.01 C ATOM 2378 C LEU B 55 19.174 14.035 3.519 1.00 1.04 C ATOM 2379 O LEU B 55 18.529 14.813 2.818 1.00 1.07 O ATOM 2380 CB LEU B 55 18.784 11.513 3.434 1.00 0.96 C ATOM 2381 CG LEU B 55 19.353 10.112 3.145 1.00 0.95 C ATOM 2382 CD1 LEU B 55 18.468 9.051 3.814 1.00 0.91 C ATOM 2383 CD2 LEU B 55 19.474 9.863 1.632 1.00 1.13 C ATOM 0 H LEU B 55 21.181 11.676 3.940 1.00 0.99 H new ATOM 0 HA LEU B 55 19.565 12.736 1.866 1.00 1.01 H new ATOM 0 HB2 LEU B 55 18.633 11.610 4.509 1.00 0.96 H new ATOM 0 HB3 LEU B 55 17.803 11.591 2.966 1.00 0.96 H new ATOM 0 HG LEU B 55 20.358 10.046 3.562 1.00 0.95 H new ATOM 0 HD11 LEU B 55 18.871 8.059 3.609 1.00 0.91 H new ATOM 0 HD12 LEU B 55 18.449 9.220 4.891 1.00 0.91 H new ATOM 0 HD13 LEU B 55 17.455 9.120 3.418 1.00 0.91 H new ATOM 0 HD21 LEU B 55 19.879 8.866 1.459 1.00 1.13 H new ATOM 0 HD22 LEU B 55 18.490 9.940 1.171 1.00 1.13 H new ATOM 0 HD23 LEU B 55 20.140 10.606 1.193 1.00 1.13 H new ATOM 2395 N MET B 56 19.582 14.363 4.749 1.00 1.13 N ATOM 2396 CA MET B 56 19.346 15.671 5.364 1.00 1.27 C ATOM 2397 C MET B 56 20.130 16.803 4.687 1.00 1.38 C ATOM 2398 O MET B 56 19.519 17.835 4.423 1.00 1.56 O ATOM 2399 CB MET B 56 19.629 15.623 6.864 1.00 1.29 C ATOM 2400 CG MET B 56 18.491 14.943 7.620 1.00 1.33 C ATOM 2401 SD MET B 56 18.306 15.539 9.313 1.00 2.01 S ATOM 2402 CE MET B 56 17.031 14.358 9.798 1.00 1.59 C ATOM 0 H MET B 56 20.092 13.718 5.353 1.00 1.13 H new ATOM 0 HA MET B 56 18.291 15.901 5.215 1.00 1.27 H new ATOM 0 HB2 MET B 56 20.560 15.086 7.044 1.00 1.29 H new ATOM 0 HB3 MET B 56 19.767 16.636 7.243 1.00 1.29 H new ATOM 0 HG2 MET B 56 17.558 15.105 7.081 1.00 1.33 H new ATOM 0 HG3 MET B 56 18.667 13.867 7.638 1.00 1.33 H new ATOM 0 HE1 MET B 56 16.696 14.579 10.811 1.00 1.59 H new ATOM 0 HE2 MET B 56 16.187 14.432 9.113 1.00 1.59 H new ATOM 0 HE3 MET B 56 17.439 13.348 9.763 1.00 1.59 H new ATOM 2412 N LYS B 57 21.403 16.636 4.305 1.00 1.33 N ATOM 2413 CA LYS B 57 22.123 17.581 3.428 1.00 1.45 C ATOM 2414 C LYS B 57 21.370 17.787 2.122 1.00 1.32 C ATOM 2415 O LYS B 57 21.377 18.878 1.572 1.00 1.38 O ATOM 2416 CB LYS B 57 23.550 17.095 3.106 1.00 1.67 C ATOM 2417 CG LYS B 57 24.650 17.673 4.007 1.00 1.49 C ATOM 2418 CD LYS B 57 24.508 17.238 5.465 1.00 2.63 C ATOM 2419 CE LYS B 57 23.717 18.234 6.318 1.00 3.12 C ATOM 2420 NZ LYS B 57 23.620 17.760 7.714 1.00 4.56 N ATOM 0 H LYS B 57 21.969 15.839 4.595 1.00 1.33 H new ATOM 0 HA LYS B 57 22.188 18.523 3.972 1.00 1.45 H new ATOM 0 HB2 LYS B 57 23.573 16.008 3.181 1.00 1.67 H new ATOM 0 HB3 LYS B 57 23.779 17.348 2.071 1.00 1.67 H new ATOM 0 HG2 LYS B 57 25.624 17.359 3.632 1.00 1.49 H new ATOM 0 HG3 LYS B 57 24.624 18.761 3.953 1.00 1.49 H new ATOM 0 HD2 LYS B 57 24.015 16.267 5.501 1.00 2.63 H new ATOM 0 HD3 LYS B 57 25.500 17.108 5.897 1.00 2.63 H new ATOM 0 HE2 LYS B 57 24.203 19.209 6.292 1.00 3.12 H new ATOM 0 HE3 LYS B 57 22.718 18.364 5.902 1.00 3.12 H new ATOM 0 HZ1 LYS B 57 23.616 18.576 8.358 1.00 4.56 H new ATOM 0 HZ2 LYS B 57 22.741 17.218 7.836 1.00 4.56 H new ATOM 0 HZ3 LYS B 57 24.435 17.151 7.931 1.00 4.56 H new ATOM 2434 N SER B 58 20.695 16.757 1.630 1.00 1.20 N ATOM 2435 CA SER B 58 19.813 16.811 0.459 1.00 1.15 C ATOM 2436 C SER B 58 18.437 17.478 0.684 1.00 1.10 C ATOM 2437 O SER B 58 17.784 17.826 -0.298 1.00 1.24 O ATOM 2438 CB SER B 58 19.744 15.437 -0.214 1.00 1.27 C ATOM 2439 OG SER B 58 21.031 15.145 -0.757 1.00 2.19 O ATOM 0 H SER B 58 20.744 15.827 2.045 1.00 1.20 H new ATOM 0 HA SER B 58 20.276 17.507 -0.240 1.00 1.15 H new ATOM 0 HB2 SER B 58 19.453 14.674 0.508 1.00 1.27 H new ATOM 0 HB3 SER B 58 18.990 15.436 -1.001 1.00 1.27 H new ATOM 0 HG SER B 58 21.608 14.781 -0.053 1.00 2.19 H new ATOM 2445 N LEU B 59 18.034 17.764 1.932 1.00 1.11 N ATOM 2446 CA LEU B 59 16.897 18.645 2.254 1.00 1.17 C ATOM 2447 C LEU B 59 17.397 20.083 2.454 1.00 1.21 C ATOM 2448 O LEU B 59 16.901 21.045 1.864 1.00 1.42 O ATOM 2449 CB LEU B 59 16.216 18.121 3.541 1.00 1.20 C ATOM 2450 CG LEU B 59 15.638 16.694 3.488 1.00 1.18 C ATOM 2451 CD1 LEU B 59 14.844 16.456 4.779 1.00 1.25 C ATOM 2452 CD2 LEU B 59 14.766 16.444 2.252 1.00 1.26 C ATOM 0 H LEU B 59 18.495 17.385 2.759 1.00 1.11 H new ATOM 0 HA LEU B 59 16.175 18.645 1.437 1.00 1.17 H new ATOM 0 HB2 LEU B 59 16.943 18.163 4.352 1.00 1.20 H new ATOM 0 HB3 LEU B 59 15.409 18.805 3.801 1.00 1.20 H new ATOM 0 HG LEU B 59 16.464 15.988 3.407 1.00 1.18 H new ATOM 0 HD11 LEU B 59 14.423 15.451 4.767 1.00 1.25 H new ATOM 0 HD12 LEU B 59 15.506 16.562 5.638 1.00 1.25 H new ATOM 0 HD13 LEU B 59 14.038 17.186 4.850 1.00 1.25 H new ATOM 0 HD21 LEU B 59 14.389 15.421 2.273 1.00 1.26 H new ATOM 0 HD22 LEU B 59 13.927 17.140 2.252 1.00 1.26 H new ATOM 0 HD23 LEU B 59 15.361 16.593 1.351 1.00 1.26 H new ATOM 2464 N ASP B 60 18.439 20.202 3.273 1.00 1.12 N ATOM 2465 CA ASP B 60 19.212 21.414 3.536 1.00 1.27 C ATOM 2466 C ASP B 60 19.770 22.062 2.245 1.00 1.27 C ATOM 2467 O ASP B 60 19.946 23.276 2.203 1.00 1.45 O ATOM 2468 CB ASP B 60 20.360 21.044 4.493 1.00 1.47 C ATOM 2469 CG ASP B 60 19.952 20.752 5.949 1.00 1.95 C ATOM 2470 OD1 ASP B 60 19.131 21.525 6.503 1.00 2.41 O ATOM 2471 OD2 ASP B 60 20.473 19.779 6.548 1.00 3.37 O ATOM 0 H ASP B 60 18.788 19.405 3.804 1.00 1.12 H new ATOM 0 HA ASP B 60 18.553 22.158 3.984 1.00 1.27 H new ATOM 0 HB2 ASP B 60 20.870 20.167 4.096 1.00 1.47 H new ATOM 0 HB3 ASP B 60 21.083 21.860 4.495 1.00 1.47 H new ATOM 2476 N LYS B 61 19.973 21.266 1.186 1.00 1.23 N ATOM 2477 CA LYS B 61 20.498 21.622 -0.147 1.00 1.40 C ATOM 2478 C LYS B 61 19.869 22.881 -0.757 1.00 1.53 C ATOM 2479 O LYS B 61 20.526 23.603 -1.501 1.00 1.82 O ATOM 2480 CB LYS B 61 20.222 20.426 -1.090 1.00 1.36 C ATOM 2481 CG LYS B 61 21.139 20.295 -2.322 1.00 1.92 C ATOM 2482 CD LYS B 61 22.584 19.853 -2.020 1.00 2.32 C ATOM 2483 CE LYS B 61 22.724 18.481 -1.330 1.00 3.33 C ATOM 2484 NZ LYS B 61 22.322 17.332 -2.183 1.00 4.31 N ATOM 0 H LYS B 61 19.757 20.271 1.241 1.00 1.23 H new ATOM 0 HA LYS B 61 21.560 21.839 -0.030 1.00 1.40 H new ATOM 0 HB2 LYS B 61 20.300 19.508 -0.508 1.00 1.36 H new ATOM 0 HB3 LYS B 61 19.191 20.497 -1.438 1.00 1.36 H new ATOM 0 HG2 LYS B 61 20.694 19.578 -3.012 1.00 1.92 H new ATOM 0 HG3 LYS B 61 21.170 21.256 -2.836 1.00 1.92 H new ATOM 0 HD2 LYS B 61 23.142 19.829 -2.956 1.00 2.32 H new ATOM 0 HD3 LYS B 61 23.053 20.608 -1.389 1.00 2.32 H new ATOM 0 HE2 LYS B 61 23.760 18.345 -1.020 1.00 3.33 H new ATOM 0 HE3 LYS B 61 22.118 18.478 -0.424 1.00 3.33 H new ATOM 0 HZ1 LYS B 61 21.862 16.608 -1.595 1.00 4.31 H new ATOM 0 HZ2 LYS B 61 21.658 17.658 -2.914 1.00 4.31 H new ATOM 0 HZ3 LYS B 61 23.165 16.925 -2.637 1.00 4.31 H new ATOM 2498 N ASN B 62 18.590 23.105 -0.451 1.00 1.43 N ATOM 2499 CA ASN B 62 17.778 24.203 -0.982 1.00 1.70 C ATOM 2500 C ASN B 62 16.903 24.867 0.082 1.00 1.76 C ATOM 2501 O ASN B 62 16.699 26.073 0.023 1.00 2.58 O ATOM 2502 CB ASN B 62 16.913 23.652 -2.117 1.00 1.83 C ATOM 2503 CG ASN B 62 17.761 23.357 -3.343 1.00 2.05 C ATOM 2504 OD1 ASN B 62 18.155 22.230 -3.602 1.00 2.14 O ATOM 2505 ND2 ASN B 62 18.099 24.394 -4.080 1.00 2.72 N ATOM 0 H ASN B 62 18.073 22.508 0.194 1.00 1.43 H new ATOM 0 HA ASN B 62 18.450 24.980 -1.346 1.00 1.70 H new ATOM 0 HB2 ASN B 62 16.410 22.742 -1.789 1.00 1.83 H new ATOM 0 HB3 ASN B 62 16.135 24.372 -2.371 1.00 1.83 H new ATOM 0 HD21 ASN B 62 18.705 24.268 -4.891 1.00 2.72 H new ATOM 0 HD22 ASN B 62 17.755 25.324 -3.840 1.00 2.72 H new ATOM 2512 N SER B 63 16.418 24.104 1.066 1.00 1.32 N ATOM 2513 CA SER B 63 15.990 24.564 2.397 1.00 1.37 C ATOM 2514 C SER B 63 14.633 25.275 2.465 1.00 1.34 C ATOM 2515 O SER B 63 13.764 24.845 3.222 1.00 1.42 O ATOM 2516 CB SER B 63 17.053 25.469 3.057 1.00 1.75 C ATOM 2517 OG SER B 63 18.145 24.711 3.558 1.00 2.22 O ATOM 0 H SER B 63 16.306 23.096 0.953 1.00 1.32 H new ATOM 0 HA SER B 63 15.871 23.630 2.945 1.00 1.37 H new ATOM 0 HB2 SER B 63 17.416 26.195 2.330 1.00 1.75 H new ATOM 0 HB3 SER B 63 16.597 26.033 3.870 1.00 1.75 H new ATOM 0 HG SER B 63 18.624 24.294 2.811 1.00 2.22 H new ATOM 2523 N ASP B 64 14.452 26.349 1.703 1.00 1.46 N ATOM 2524 CA ASP B 64 13.329 27.291 1.816 1.00 1.60 C ATOM 2525 C ASP B 64 12.300 26.936 0.741 1.00 1.60 C ATOM 2526 O ASP B 64 11.982 27.668 -0.195 1.00 2.60 O ATOM 2527 CB ASP B 64 13.845 28.742 1.775 1.00 1.93 C ATOM 2528 CG ASP B 64 12.825 29.752 2.330 1.00 2.98 C ATOM 2529 OD1 ASP B 64 12.086 29.361 3.267 1.00 3.41 O ATOM 2530 OD2 ASP B 64 12.837 30.909 1.852 1.00 4.37 O ATOM 0 H ASP B 64 15.104 26.602 0.961 1.00 1.46 H new ATOM 0 HA ASP B 64 12.821 27.209 2.777 1.00 1.60 H new ATOM 0 HB2 ASP B 64 14.768 28.811 2.350 1.00 1.93 H new ATOM 0 HB3 ASP B 64 14.090 29.007 0.746 1.00 1.93 H new ATOM 2535 N GLN B 65 11.917 25.669 0.822 1.00 0.99 N ATOM 2536 CA GLN B 65 11.168 24.937 -0.177 1.00 1.09 C ATOM 2537 C GLN B 65 10.270 23.921 0.522 1.00 1.04 C ATOM 2538 O GLN B 65 10.670 23.342 1.536 1.00 1.11 O ATOM 2539 CB GLN B 65 12.155 24.144 -1.036 1.00 1.38 C ATOM 2540 CG GLN B 65 12.811 24.898 -2.195 1.00 1.71 C ATOM 2541 CD GLN B 65 13.600 23.933 -3.089 1.00 2.44 C ATOM 2542 OE1 GLN B 65 13.948 22.821 -2.707 1.00 3.01 O ATOM 2543 NE2 GLN B 65 13.911 24.307 -4.311 1.00 3.52 N ATOM 0 H GLN B 65 12.136 25.096 1.637 1.00 0.99 H new ATOM 0 HA GLN B 65 10.581 25.631 -0.778 1.00 1.09 H new ATOM 0 HB2 GLN B 65 12.944 23.764 -0.387 1.00 1.38 H new ATOM 0 HB3 GLN B 65 11.633 23.278 -1.444 1.00 1.38 H new ATOM 0 HG2 GLN B 65 12.047 25.406 -2.784 1.00 1.71 H new ATOM 0 HG3 GLN B 65 13.477 25.668 -1.805 1.00 1.71 H new ATOM 0 HE21 GLN B 65 13.631 25.228 -4.649 1.00 3.52 H new ATOM 0 HE22 GLN B 65 14.432 23.676 -4.920 1.00 3.52 H new ATOM 2552 N GLU B 66 9.110 23.640 -0.068 1.00 1.05 N ATOM 2553 CA GLU B 66 8.218 22.604 0.429 1.00 1.08 C ATOM 2554 C GLU B 66 8.616 21.205 -0.057 1.00 1.14 C ATOM 2555 O GLU B 66 9.097 21.012 -1.173 1.00 1.18 O ATOM 2556 CB GLU B 66 6.759 22.899 0.043 1.00 1.13 C ATOM 2557 CG GLU B 66 6.121 23.979 0.930 1.00 1.33 C ATOM 2558 CD GLU B 66 4.638 24.159 0.608 1.00 1.77 C ATOM 2559 OE1 GLU B 66 4.316 24.488 -0.549 1.00 2.00 O ATOM 2560 OE2 GLU B 66 3.808 23.953 1.521 1.00 2.89 O ATOM 0 H GLU B 66 8.767 24.123 -0.899 1.00 1.05 H new ATOM 0 HA GLU B 66 8.309 22.614 1.515 1.00 1.08 H new ATOM 0 HB2 GLU B 66 6.720 23.219 -0.998 1.00 1.13 H new ATOM 0 HB3 GLU B 66 6.175 21.982 0.116 1.00 1.13 H new ATOM 0 HG2 GLU B 66 6.237 23.706 1.979 1.00 1.33 H new ATOM 0 HG3 GLU B 66 6.644 24.925 0.787 1.00 1.33 H new ATOM 2567 N ILE B 67 8.377 20.229 0.816 1.00 1.28 N ATOM 2568 CA ILE B 67 8.270 18.796 0.518 1.00 1.22 C ATOM 2569 C ILE B 67 6.908 18.274 0.968 1.00 1.27 C ATOM 2570 O ILE B 67 6.343 18.745 1.953 1.00 1.44 O ATOM 2571 CB ILE B 67 9.399 17.955 1.160 1.00 1.40 C ATOM 2572 CG1 ILE B 67 9.941 18.521 2.497 1.00 1.66 C ATOM 2573 CG2 ILE B 67 10.492 17.735 0.107 1.00 2.63 C ATOM 2574 CD1 ILE B 67 11.199 17.808 2.989 1.00 1.71 C ATOM 0 H ILE B 67 8.245 20.425 1.808 1.00 1.28 H new ATOM 0 HA ILE B 67 8.376 18.688 -0.561 1.00 1.22 H new ATOM 0 HB ILE B 67 8.981 16.994 1.460 1.00 1.40 H new ATOM 0 HG12 ILE B 67 10.158 19.582 2.373 1.00 1.66 H new ATOM 0 HG13 ILE B 67 9.165 18.441 3.258 1.00 1.66 H new ATOM 0 HG21 ILE B 67 11.299 17.143 0.539 1.00 2.63 H new ATOM 0 HG22 ILE B 67 10.072 17.206 -0.748 1.00 2.63 H new ATOM 0 HG23 ILE B 67 10.883 18.699 -0.219 1.00 2.63 H new ATOM 0 HD11 ILE B 67 11.526 18.253 3.929 1.00 1.71 H new ATOM 0 HD12 ILE B 67 10.981 16.751 3.144 1.00 1.71 H new ATOM 0 HD13 ILE B 67 11.989 17.910 2.245 1.00 1.71 H new ATOM 2586 N ASP B 68 6.393 17.306 0.215 1.00 1.17 N ATOM 2587 CA ASP B 68 5.055 16.751 0.355 1.00 1.11 C ATOM 2588 C ASP B 68 5.049 15.427 1.122 1.00 0.97 C ATOM 2589 O ASP B 68 6.086 14.842 1.440 1.00 1.19 O ATOM 2590 CB ASP B 68 4.434 16.606 -1.054 1.00 1.20 C ATOM 2591 CG ASP B 68 5.007 15.470 -1.913 1.00 1.72 C ATOM 2592 OD1 ASP B 68 6.162 15.039 -1.672 1.00 2.90 O ATOM 2593 OD2 ASP B 68 4.262 14.974 -2.785 1.00 1.88 O ATOM 0 H ASP B 68 6.921 16.870 -0.541 1.00 1.17 H new ATOM 0 HA ASP B 68 4.449 17.432 0.952 1.00 1.11 H new ATOM 0 HB2 ASP B 68 3.361 16.450 -0.945 1.00 1.20 H new ATOM 0 HB3 ASP B 68 4.567 17.546 -1.590 1.00 1.20 H new ATOM 2598 N PHE B 69 3.839 14.919 1.362 1.00 0.79 N ATOM 2599 CA PHE B 69 3.583 13.627 2.003 1.00 0.69 C ATOM 2600 C PHE B 69 4.302 12.453 1.300 1.00 0.61 C ATOM 2601 O PHE B 69 4.588 11.438 1.926 1.00 0.60 O ATOM 2602 CB PHE B 69 2.060 13.413 2.056 1.00 0.81 C ATOM 2603 CG PHE B 69 1.546 12.691 3.291 1.00 1.26 C ATOM 2604 CD1 PHE B 69 1.653 11.295 3.411 1.00 2.73 C ATOM 2605 CD2 PHE B 69 0.916 13.429 4.313 1.00 2.27 C ATOM 2606 CE1 PHE B 69 1.097 10.633 4.521 1.00 3.67 C ATOM 2607 CE2 PHE B 69 0.370 12.768 5.425 1.00 2.97 C ATOM 2608 CZ PHE B 69 0.440 11.369 5.519 1.00 3.34 C ATOM 0 H PHE B 69 2.982 15.411 1.108 1.00 0.79 H new ATOM 0 HA PHE B 69 3.994 13.646 3.012 1.00 0.69 H new ATOM 0 HB2 PHE B 69 1.571 14.385 1.994 1.00 0.81 H new ATOM 0 HB3 PHE B 69 1.759 12.848 1.174 1.00 0.81 H new ATOM 0 HD1 PHE B 69 2.164 10.728 2.648 1.00 2.73 H new ATOM 0 HD2 PHE B 69 0.853 14.505 4.241 1.00 2.27 H new ATOM 0 HE1 PHE B 69 1.176 9.559 4.605 1.00 3.67 H new ATOM 0 HE2 PHE B 69 -0.105 13.337 6.210 1.00 2.97 H new ATOM 0 HZ PHE B 69 -0.011 10.860 6.358 1.00 3.34 H new ATOM 2618 N LYS B 70 4.628 12.556 0.005 1.00 0.63 N ATOM 2619 CA LYS B 70 5.290 11.509 -0.779 1.00 0.62 C ATOM 2620 C LYS B 70 6.794 11.491 -0.545 1.00 0.57 C ATOM 2621 O LYS B 70 7.369 10.425 -0.301 1.00 0.59 O ATOM 2622 CB LYS B 70 4.984 11.815 -2.241 1.00 0.74 C ATOM 2623 CG LYS B 70 5.720 10.962 -3.283 1.00 1.45 C ATOM 2624 CD LYS B 70 6.813 11.772 -4.002 1.00 2.95 C ATOM 2625 CE LYS B 70 8.090 10.952 -4.100 1.00 4.46 C ATOM 2626 NZ LYS B 70 9.193 11.752 -4.692 1.00 5.81 N ATOM 0 H LYS B 70 4.432 13.395 -0.541 1.00 0.63 H new ATOM 0 HA LYS B 70 4.924 10.525 -0.485 1.00 0.62 H new ATOM 0 HB2 LYS B 70 3.912 11.697 -2.398 1.00 0.74 H new ATOM 0 HB3 LYS B 70 5.220 12.863 -2.428 1.00 0.74 H new ATOM 0 HG2 LYS B 70 6.168 10.096 -2.796 1.00 1.45 H new ATOM 0 HG3 LYS B 70 5.006 10.582 -4.014 1.00 1.45 H new ATOM 0 HD2 LYS B 70 6.473 12.051 -4.999 1.00 2.95 H new ATOM 0 HD3 LYS B 70 7.006 12.698 -3.460 1.00 2.95 H new ATOM 0 HE2 LYS B 70 8.380 10.604 -3.108 1.00 4.46 H new ATOM 0 HE3 LYS B 70 7.911 10.066 -4.709 1.00 4.46 H new ATOM 0 HZ1 LYS B 70 10.038 11.155 -4.795 1.00 5.81 H new ATOM 0 HZ2 LYS B 70 8.903 12.105 -5.626 1.00 5.81 H new ATOM 0 HZ3 LYS B 70 9.411 12.556 -4.070 1.00 5.81 H new ATOM 2640 N GLU B 71 7.421 12.663 -0.630 1.00 0.56 N ATOM 2641 CA GLU B 71 8.811 12.860 -0.240 1.00 0.54 C ATOM 2642 C GLU B 71 8.988 12.384 1.202 1.00 0.53 C ATOM 2643 O GLU B 71 9.864 11.579 1.497 1.00 0.66 O ATOM 2644 CB GLU B 71 9.162 14.344 -0.383 1.00 0.63 C ATOM 2645 CG GLU B 71 9.267 14.734 -1.860 1.00 0.80 C ATOM 2646 CD GLU B 71 10.634 14.362 -2.428 1.00 1.65 C ATOM 2647 OE1 GLU B 71 11.631 15.044 -2.101 1.00 2.09 O ATOM 2648 OE2 GLU B 71 10.656 13.349 -3.172 1.00 3.08 O ATOM 0 H GLU B 71 6.971 13.510 -0.976 1.00 0.56 H new ATOM 0 HA GLU B 71 9.481 12.286 -0.880 1.00 0.54 H new ATOM 0 HB2 GLU B 71 8.401 14.952 0.106 1.00 0.63 H new ATOM 0 HB3 GLU B 71 10.106 14.550 0.121 1.00 0.63 H new ATOM 0 HG2 GLU B 71 8.484 14.232 -2.429 1.00 0.80 H new ATOM 0 HG3 GLU B 71 9.103 15.806 -1.969 1.00 0.80 H new ATOM 2655 N TYR B 72 8.054 12.777 2.065 1.00 0.51 N ATOM 2656 CA TYR B 72 7.996 12.383 3.477 1.00 0.49 C ATOM 2657 C TYR B 72 7.904 10.860 3.667 1.00 0.48 C ATOM 2658 O TYR B 72 8.706 10.277 4.396 1.00 0.49 O ATOM 2659 CB TYR B 72 6.821 13.136 4.115 1.00 0.52 C ATOM 2660 CG TYR B 72 6.251 12.588 5.415 1.00 0.53 C ATOM 2661 CD1 TYR B 72 6.839 12.883 6.658 1.00 1.98 C ATOM 2662 CD2 TYR B 72 5.076 11.807 5.378 1.00 2.11 C ATOM 2663 CE1 TYR B 72 6.253 12.420 7.855 1.00 1.87 C ATOM 2664 CE2 TYR B 72 4.497 11.328 6.564 1.00 2.29 C ATOM 2665 CZ TYR B 72 5.076 11.638 7.813 1.00 0.81 C ATOM 2666 OH TYR B 72 4.502 11.176 8.959 1.00 1.06 O ATOM 0 H TYR B 72 7.291 13.398 1.796 1.00 0.51 H new ATOM 0 HA TYR B 72 8.925 12.656 3.977 1.00 0.49 H new ATOM 0 HB2 TYR B 72 7.139 14.163 4.295 1.00 0.52 H new ATOM 0 HB3 TYR B 72 6.013 13.176 3.385 1.00 0.52 H new ATOM 0 HD1 TYR B 72 7.746 13.468 6.697 1.00 1.98 H new ATOM 0 HD2 TYR B 72 4.618 11.576 4.428 1.00 2.11 H new ATOM 0 HE1 TYR B 72 6.705 12.663 8.805 1.00 1.87 H new ATOM 0 HE2 TYR B 72 3.605 10.720 6.520 1.00 2.29 H new ATOM 0 HH TYR B 72 5.010 11.499 9.732 1.00 1.06 H new ATOM 2676 N SER B 73 6.986 10.189 2.963 1.00 0.51 N ATOM 2677 CA SER B 73 6.804 8.743 3.067 1.00 0.55 C ATOM 2678 C SER B 73 7.989 7.951 2.490 1.00 0.55 C ATOM 2679 O SER B 73 8.391 6.957 3.106 1.00 0.57 O ATOM 2680 CB SER B 73 5.471 8.327 2.427 1.00 0.65 C ATOM 2681 OG SER B 73 5.452 8.500 1.030 1.00 1.35 O ATOM 0 H SER B 73 6.349 10.637 2.305 1.00 0.51 H new ATOM 0 HA SER B 73 6.770 8.493 4.127 1.00 0.55 H new ATOM 0 HB2 SER B 73 5.274 7.281 2.660 1.00 0.65 H new ATOM 0 HB3 SER B 73 4.664 8.910 2.870 1.00 0.65 H new ATOM 0 HG SER B 73 4.545 8.344 0.693 1.00 1.35 H new ATOM 2687 N VAL B 74 8.607 8.385 1.377 1.00 0.55 N ATOM 2688 CA VAL B 74 9.816 7.730 0.831 1.00 0.58 C ATOM 2689 C VAL B 74 11.080 8.016 1.638 1.00 0.57 C ATOM 2690 O VAL B 74 11.971 7.169 1.630 1.00 0.63 O ATOM 2691 CB VAL B 74 10.117 8.014 -0.652 1.00 0.65 C ATOM 2692 CG1 VAL B 74 8.961 7.574 -1.541 1.00 0.71 C ATOM 2693 CG2 VAL B 74 10.563 9.439 -1.001 1.00 0.64 C ATOM 0 H VAL B 74 8.290 9.189 0.835 1.00 0.55 H new ATOM 0 HA VAL B 74 9.549 6.677 0.916 1.00 0.58 H new ATOM 0 HB VAL B 74 11.000 7.407 -0.854 1.00 0.65 H new ATOM 0 HG11 VAL B 74 9.202 7.787 -2.583 1.00 0.71 H new ATOM 0 HG12 VAL B 74 8.795 6.504 -1.418 1.00 0.71 H new ATOM 0 HG13 VAL B 74 8.058 8.116 -1.259 1.00 0.71 H new ATOM 0 HG21 VAL B 74 10.744 9.511 -2.073 1.00 0.64 H new ATOM 0 HG22 VAL B 74 9.782 10.145 -0.716 1.00 0.64 H new ATOM 0 HG23 VAL B 74 11.480 9.676 -0.462 1.00 0.64 H new ATOM 2703 N PHE B 75 11.169 9.167 2.312 1.00 0.55 N ATOM 2704 CA PHE B 75 12.274 9.532 3.198 1.00 0.55 C ATOM 2705 C PHE B 75 12.176 8.764 4.521 1.00 0.53 C ATOM 2706 O PHE B 75 13.175 8.198 4.951 1.00 0.55 O ATOM 2707 CB PHE B 75 12.268 11.055 3.394 1.00 0.61 C ATOM 2708 CG PHE B 75 13.533 11.667 3.968 1.00 0.63 C ATOM 2709 CD1 PHE B 75 13.715 11.764 5.360 1.00 1.46 C ATOM 2710 CD2 PHE B 75 14.487 12.230 3.105 1.00 1.98 C ATOM 2711 CE1 PHE B 75 14.830 12.444 5.886 1.00 1.43 C ATOM 2712 CE2 PHE B 75 15.595 12.917 3.626 1.00 2.06 C ATOM 2713 CZ PHE B 75 15.772 13.029 5.015 1.00 0.80 C ATOM 0 H PHE B 75 10.452 9.890 2.253 1.00 0.55 H new ATOM 0 HA PHE B 75 13.228 9.252 2.752 1.00 0.55 H new ATOM 0 HB2 PHE B 75 12.069 11.523 2.430 1.00 0.61 H new ATOM 0 HB3 PHE B 75 11.436 11.312 4.050 1.00 0.61 H new ATOM 0 HD1 PHE B 75 12.996 11.314 6.028 1.00 1.46 H new ATOM 0 HD2 PHE B 75 14.368 12.134 2.036 1.00 1.98 H new ATOM 0 HE1 PHE B 75 14.964 12.517 6.955 1.00 1.43 H new ATOM 0 HE2 PHE B 75 16.315 13.362 2.955 1.00 2.06 H new ATOM 0 HZ PHE B 75 16.624 13.560 5.413 1.00 0.80 H new ATOM 2723 N LEU B 76 10.977 8.619 5.105 1.00 0.54 N ATOM 2724 CA LEU B 76 10.733 7.730 6.247 1.00 0.54 C ATOM 2725 C LEU B 76 11.029 6.273 5.900 1.00 0.56 C ATOM 2726 O LEU B 76 11.745 5.602 6.638 1.00 0.58 O ATOM 2727 CB LEU B 76 9.269 7.850 6.690 1.00 0.56 C ATOM 2728 CG LEU B 76 8.957 9.108 7.518 1.00 0.58 C ATOM 2729 CD1 LEU B 76 7.433 9.203 7.618 1.00 1.20 C ATOM 2730 CD2 LEU B 76 9.582 9.013 8.919 1.00 0.98 C ATOM 0 H LEU B 76 10.144 9.120 4.794 1.00 0.54 H new ATOM 0 HA LEU B 76 11.401 8.034 7.053 1.00 0.54 H new ATOM 0 HB2 LEU B 76 8.633 7.845 5.805 1.00 0.56 H new ATOM 0 HB3 LEU B 76 9.006 6.969 7.276 1.00 0.56 H new ATOM 0 HG LEU B 76 9.376 9.995 7.042 1.00 0.58 H new ATOM 0 HD11 LEU B 76 7.161 10.084 8.199 1.00 1.20 H new ATOM 0 HD12 LEU B 76 7.007 9.282 6.618 1.00 1.20 H new ATOM 0 HD13 LEU B 76 7.044 8.311 8.108 1.00 1.20 H new ATOM 0 HD21 LEU B 76 9.347 9.915 9.484 1.00 0.98 H new ATOM 0 HD22 LEU B 76 9.179 8.144 9.439 1.00 0.98 H new ATOM 0 HD23 LEU B 76 10.664 8.913 8.829 1.00 0.98 H new ATOM 2742 N THR B 77 10.538 5.807 4.743 1.00 0.56 N ATOM 2743 CA THR B 77 10.830 4.472 4.197 1.00 0.59 C ATOM 2744 C THR B 77 12.333 4.266 4.063 1.00 0.63 C ATOM 2745 O THR B 77 12.862 3.256 4.513 1.00 0.67 O ATOM 2746 CB THR B 77 10.121 4.304 2.852 1.00 0.64 C ATOM 2747 OG1 THR B 77 8.745 4.256 3.103 1.00 0.65 O ATOM 2748 CG2 THR B 77 10.516 3.038 2.097 1.00 0.81 C ATOM 0 H THR B 77 9.916 6.356 4.149 1.00 0.56 H new ATOM 0 HA THR B 77 10.457 3.711 4.882 1.00 0.59 H new ATOM 0 HB THR B 77 10.412 5.145 2.223 1.00 0.64 H new ATOM 0 HG1 THR B 77 8.395 5.168 3.181 1.00 0.65 H new ATOM 0 HG21 THR B 77 9.971 2.992 1.154 1.00 0.81 H new ATOM 0 HG22 THR B 77 11.587 3.053 1.896 1.00 0.81 H new ATOM 0 HG23 THR B 77 10.272 2.164 2.700 1.00 0.81 H new ATOM 2756 N MET B 78 13.034 5.246 3.499 1.00 0.64 N ATOM 2757 CA MET B 78 14.492 5.225 3.350 1.00 0.70 C ATOM 2758 C MET B 78 15.228 5.201 4.696 1.00 0.72 C ATOM 2759 O MET B 78 16.180 4.444 4.845 1.00 0.80 O ATOM 2760 CB MET B 78 14.882 6.429 2.482 1.00 0.68 C ATOM 2761 CG MET B 78 16.325 6.429 1.999 1.00 0.87 C ATOM 2762 SD MET B 78 16.511 7.201 0.365 1.00 1.09 S ATOM 2763 CE MET B 78 15.874 8.872 0.694 1.00 1.11 C ATOM 0 H MET B 78 12.601 6.091 3.126 1.00 0.64 H new ATOM 0 HA MET B 78 14.800 4.300 2.862 1.00 0.70 H new ATOM 0 HB2 MET B 78 14.223 6.461 1.614 1.00 0.68 H new ATOM 0 HB3 MET B 78 14.704 7.342 3.051 1.00 0.68 H new ATOM 0 HG2 MET B 78 16.946 6.959 2.721 1.00 0.87 H new ATOM 0 HG3 MET B 78 16.691 5.403 1.956 1.00 0.87 H new ATOM 0 HE1 MET B 78 16.480 9.604 0.160 1.00 1.11 H new ATOM 0 HE2 MET B 78 14.840 8.940 0.356 1.00 1.11 H new ATOM 0 HE3 MET B 78 15.920 9.075 1.764 1.00 1.11 H new ATOM 2773 N LEU B 79 14.769 5.977 5.683 1.00 0.69 N ATOM 2774 CA LEU B 79 15.327 6.000 7.041 1.00 0.75 C ATOM 2775 C LEU B 79 15.155 4.645 7.729 1.00 0.72 C ATOM 2776 O LEU B 79 16.130 4.081 8.215 1.00 0.73 O ATOM 2777 CB LEU B 79 14.674 7.127 7.876 1.00 0.84 C ATOM 2778 CG LEU B 79 15.600 7.814 8.908 1.00 0.99 C ATOM 2779 CD1 LEU B 79 16.495 6.863 9.718 1.00 1.72 C ATOM 2780 CD2 LEU B 79 16.455 8.868 8.195 1.00 1.74 C ATOM 0 H LEU B 79 13.986 6.618 5.560 1.00 0.69 H new ATOM 0 HA LEU B 79 16.395 6.202 6.965 1.00 0.75 H new ATOM 0 HB2 LEU B 79 14.293 7.887 7.194 1.00 0.84 H new ATOM 0 HB3 LEU B 79 13.815 6.713 8.404 1.00 0.84 H new ATOM 0 HG LEU B 79 14.940 8.271 9.645 1.00 0.99 H new ATOM 0 HD11 LEU B 79 17.105 7.441 10.412 1.00 1.72 H new ATOM 0 HD12 LEU B 79 15.872 6.165 10.277 1.00 1.72 H new ATOM 0 HD13 LEU B 79 17.144 6.308 9.040 1.00 1.72 H new ATOM 0 HD21 LEU B 79 17.109 9.355 8.918 1.00 1.74 H new ATOM 0 HD22 LEU B 79 17.059 8.387 7.425 1.00 1.74 H new ATOM 0 HD23 LEU B 79 15.806 9.612 7.734 1.00 1.74 H new ATOM 2792 N CYS B 80 13.934 4.101 7.739 1.00 0.73 N ATOM 2793 CA CYS B 80 13.645 2.792 8.319 1.00 0.76 C ATOM 2794 C CYS B 80 14.477 1.688 7.654 1.00 0.80 C ATOM 2795 O CYS B 80 15.091 0.873 8.340 1.00 0.88 O ATOM 2796 CB CYS B 80 12.131 2.538 8.242 1.00 0.79 C ATOM 2797 SG CYS B 80 11.692 1.215 9.407 1.00 1.07 S ATOM 0 H CYS B 80 13.115 4.562 7.342 1.00 0.73 H new ATOM 0 HA CYS B 80 13.937 2.779 9.369 1.00 0.76 H new ATOM 0 HB2 CYS B 80 11.584 3.449 8.484 1.00 0.79 H new ATOM 0 HB3 CYS B 80 11.848 2.256 7.228 1.00 0.79 H new ATOM 0 HG CYS B 80 12.521 1.226 10.409 1.00 1.07 H new ATOM 2803 N MET B 81 14.584 1.699 6.324 1.00 0.82 N ATOM 2804 CA MET B 81 15.389 0.733 5.572 1.00 0.89 C ATOM 2805 C MET B 81 16.888 0.884 5.853 1.00 0.91 C ATOM 2806 O MET B 81 17.607 -0.110 5.816 1.00 1.07 O ATOM 2807 CB MET B 81 15.044 0.837 4.084 1.00 0.98 C ATOM 2808 CG MET B 81 15.615 -0.345 3.290 1.00 1.64 C ATOM 2809 SD MET B 81 14.788 -0.610 1.701 1.00 2.32 S ATOM 2810 CE MET B 81 13.340 -1.531 2.288 1.00 3.73 C ATOM 0 H MET B 81 14.111 2.383 5.734 1.00 0.82 H new ATOM 0 HA MET B 81 15.141 -0.274 5.908 1.00 0.89 H new ATOM 0 HB2 MET B 81 13.961 0.869 3.962 1.00 0.98 H new ATOM 0 HB3 MET B 81 15.438 1.771 3.683 1.00 0.98 H new ATOM 0 HG2 MET B 81 16.677 -0.176 3.115 1.00 1.64 H new ATOM 0 HG3 MET B 81 15.531 -1.251 3.890 1.00 1.64 H new ATOM 0 HE1 MET B 81 12.889 -2.070 1.455 1.00 3.73 H new ATOM 0 HE2 MET B 81 13.647 -2.241 3.055 1.00 3.73 H new ATOM 0 HE3 MET B 81 12.612 -0.836 2.707 1.00 3.73 H new ATOM 2820 N ALA B 82 17.339 2.088 6.223 1.00 0.88 N ATOM 2821 CA ALA B 82 18.705 2.340 6.678 1.00 0.99 C ATOM 2822 C ALA B 82 19.040 1.751 8.069 1.00 1.08 C ATOM 2823 O ALA B 82 20.172 1.938 8.536 1.00 1.34 O ATOM 2824 CB ALA B 82 19.012 3.842 6.577 1.00 1.00 C ATOM 0 H ALA B 82 16.755 2.924 6.214 1.00 0.88 H new ATOM 0 HA ALA B 82 19.370 1.795 6.008 1.00 0.99 H new ATOM 0 HB1 ALA B 82 20.031 4.029 6.917 1.00 1.00 H new ATOM 0 HB2 ALA B 82 18.910 4.165 5.541 1.00 1.00 H new ATOM 0 HB3 ALA B 82 18.314 4.399 7.202 1.00 1.00 H new ATOM 2830 N TYR B 83 18.097 1.063 8.732 1.00 1.03 N ATOM 2831 CA TYR B 83 18.330 0.271 9.950 1.00 1.16 C ATOM 2832 C TYR B 83 17.636 -1.115 9.986 1.00 1.12 C ATOM 2833 O TYR B 83 17.784 -1.845 10.968 1.00 1.51 O ATOM 2834 CB TYR B 83 18.024 1.130 11.189 1.00 1.50 C ATOM 2835 CG TYR B 83 16.608 1.654 11.377 1.00 1.60 C ATOM 2836 CD1 TYR B 83 15.586 0.797 11.833 1.00 2.70 C ATOM 2837 CD2 TYR B 83 16.330 3.029 11.211 1.00 1.91 C ATOM 2838 CE1 TYR B 83 14.304 1.304 12.119 1.00 2.90 C ATOM 2839 CE2 TYR B 83 15.071 3.551 11.555 1.00 2.03 C ATOM 2840 CZ TYR B 83 14.047 2.689 11.999 1.00 2.04 C ATOM 2841 OH TYR B 83 12.813 3.198 12.264 1.00 2.30 O ATOM 0 H TYR B 83 17.124 1.042 8.427 1.00 1.03 H new ATOM 0 HA TYR B 83 19.387 0.005 9.949 1.00 1.16 H new ATOM 0 HB2 TYR B 83 18.280 0.543 12.071 1.00 1.50 H new ATOM 0 HB3 TYR B 83 18.696 1.988 11.171 1.00 1.50 H new ATOM 0 HD1 TYR B 83 15.788 -0.256 11.964 1.00 2.70 H new ATOM 0 HD2 TYR B 83 17.092 3.685 10.816 1.00 1.91 H new ATOM 0 HE1 TYR B 83 13.516 0.634 12.430 1.00 2.90 H new ATOM 0 HE2 TYR B 83 14.888 4.613 11.479 1.00 2.03 H new ATOM 0 HH TYR B 83 12.171 2.857 11.607 1.00 2.30 H new ATOM 2851 N ASN B 84 16.936 -1.526 8.922 1.00 1.05 N ATOM 2852 CA ASN B 84 16.181 -2.789 8.827 1.00 1.31 C ATOM 2853 C ASN B 84 17.032 -4.043 8.533 1.00 1.27 C ATOM 2854 O ASN B 84 16.617 -4.912 7.770 1.00 1.64 O ATOM 2855 CB ASN B 84 15.023 -2.611 7.820 1.00 1.73 C ATOM 2856 CG ASN B 84 13.823 -1.838 8.347 1.00 2.28 C ATOM 2857 OD1 ASN B 84 13.630 -1.635 9.536 1.00 2.96 O ATOM 2858 ND2 ASN B 84 12.933 -1.436 7.457 1.00 2.95 N ATOM 0 H ASN B 84 16.875 -0.970 8.069 1.00 1.05 H new ATOM 0 HA ASN B 84 15.780 -2.993 9.820 1.00 1.31 H new ATOM 0 HB2 ASN B 84 15.406 -2.100 6.937 1.00 1.73 H new ATOM 0 HB3 ASN B 84 14.688 -3.597 7.498 1.00 1.73 H new ATOM 0 HD21 ASN B 84 12.086 -0.957 7.763 1.00 2.95 H new ATOM 0 HD22 ASN B 84 13.093 -1.605 6.464 1.00 2.95 H new ATOM 2865 N ASP B 85 18.203 -4.193 9.160 1.00 1.51 N ATOM 2866 CA ASP B 85 19.067 -5.373 8.959 1.00 1.77 C ATOM 2867 C ASP B 85 18.510 -6.662 9.604 1.00 1.94 C ATOM 2868 O ASP B 85 18.867 -7.769 9.204 1.00 2.32 O ATOM 2869 CB ASP B 85 20.495 -5.069 9.462 1.00 2.45 C ATOM 2870 CG ASP B 85 21.564 -5.214 8.371 1.00 3.79 C ATOM 2871 OD1 ASP B 85 21.654 -6.281 7.718 1.00 4.83 O ATOM 2872 OD2 ASP B 85 22.345 -4.253 8.191 1.00 4.80 O ATOM 0 H ASP B 85 18.581 -3.510 9.816 1.00 1.51 H new ATOM 0 HA ASP B 85 19.093 -5.570 7.887 1.00 1.77 H new ATOM 0 HB2 ASP B 85 20.525 -4.054 9.859 1.00 2.45 H new ATOM 0 HB3 ASP B 85 20.733 -5.741 10.287 1.00 2.45 H new ATOM 2877 N PHE B 86 17.574 -6.525 10.557 1.00 2.09 N ATOM 2878 CA PHE B 86 16.952 -7.608 11.335 1.00 2.65 C ATOM 2879 C PHE B 86 16.124 -8.618 10.512 1.00 2.75 C ATOM 2880 O PHE B 86 15.540 -9.542 11.076 1.00 3.21 O ATOM 2881 CB PHE B 86 16.077 -6.969 12.429 1.00 3.04 C ATOM 2882 CG PHE B 86 16.816 -5.992 13.322 1.00 3.52 C ATOM 2883 CD1 PHE B 86 17.630 -6.474 14.363 1.00 4.20 C ATOM 2884 CD2 PHE B 86 16.720 -4.606 13.093 1.00 4.31 C ATOM 2885 CE1 PHE B 86 18.342 -5.575 15.176 1.00 4.96 C ATOM 2886 CE2 PHE B 86 17.439 -3.709 13.900 1.00 5.25 C ATOM 2887 CZ PHE B 86 18.248 -4.192 14.941 1.00 5.32 C ATOM 0 H PHE B 86 17.212 -5.608 10.819 1.00 2.09 H new ATOM 0 HA PHE B 86 17.765 -8.200 11.754 1.00 2.65 H new ATOM 0 HB2 PHE B 86 15.243 -6.452 11.955 1.00 3.04 H new ATOM 0 HB3 PHE B 86 15.652 -7.760 13.047 1.00 3.04 H new ATOM 0 HD1 PHE B 86 17.708 -7.537 14.538 1.00 4.20 H new ATOM 0 HD2 PHE B 86 16.093 -4.233 12.297 1.00 4.31 H new ATOM 0 HE1 PHE B 86 18.960 -5.946 15.980 1.00 4.96 H new ATOM 0 HE2 PHE B 86 17.369 -2.646 13.720 1.00 5.25 H new ATOM 0 HZ PHE B 86 18.799 -3.501 15.562 1.00 5.32 H new ATOM 2897 N PHE B 87 16.054 -8.434 9.191 1.00 2.59 N ATOM 2898 CA PHE B 87 15.316 -9.271 8.242 1.00 2.92 C ATOM 2899 C PHE B 87 16.206 -9.749 7.078 1.00 2.88 C ATOM 2900 O PHE B 87 15.698 -10.359 6.137 1.00 3.32 O ATOM 2901 CB PHE B 87 14.095 -8.474 7.741 1.00 2.98 C ATOM 2902 CG PHE B 87 13.454 -7.583 8.794 1.00 3.03 C ATOM 2903 CD1 PHE B 87 12.748 -8.141 9.878 1.00 4.17 C ATOM 2904 CD2 PHE B 87 13.670 -6.193 8.752 1.00 3.10 C ATOM 2905 CE1 PHE B 87 12.260 -7.311 10.904 1.00 4.87 C ATOM 2906 CE2 PHE B 87 13.192 -5.367 9.782 1.00 3.72 C ATOM 2907 CZ PHE B 87 12.486 -5.924 10.857 1.00 4.45 C ATOM 0 H PHE B 87 16.534 -7.660 8.732 1.00 2.59 H new ATOM 0 HA PHE B 87 14.979 -10.177 8.745 1.00 2.92 H new ATOM 0 HB2 PHE B 87 14.401 -7.856 6.897 1.00 2.98 H new ATOM 0 HB3 PHE B 87 13.346 -9.174 7.370 1.00 2.98 H new ATOM 0 HD1 PHE B 87 12.581 -9.207 9.921 1.00 4.17 H new ATOM 0 HD2 PHE B 87 14.207 -5.759 7.922 1.00 3.10 H new ATOM 0 HE1 PHE B 87 11.711 -7.740 11.729 1.00 4.87 H new ATOM 0 HE2 PHE B 87 13.368 -4.302 9.746 1.00 3.72 H new ATOM 0 HZ PHE B 87 12.116 -5.289 11.648 1.00 4.45 H new ATOM 2917 N LEU B 88 17.508 -9.433 7.108 1.00 2.49 N ATOM 2918 CA LEU B 88 18.510 -9.794 6.102 1.00 2.55 C ATOM 2919 C LEU B 88 19.282 -11.046 6.562 1.00 3.09 C ATOM 2920 O LEU B 88 18.936 -11.665 7.564 1.00 3.46 O ATOM 2921 CB LEU B 88 19.434 -8.563 5.880 1.00 2.08 C ATOM 2922 CG LEU B 88 18.908 -7.461 4.939 1.00 2.37 C ATOM 2923 CD1 LEU B 88 18.925 -7.930 3.476 1.00 2.96 C ATOM 2924 CD2 LEU B 88 17.504 -6.962 5.304 1.00 3.07 C ATOM 0 H LEU B 88 17.908 -8.891 7.874 1.00 2.49 H new ATOM 0 HA LEU B 88 18.045 -10.049 5.150 1.00 2.55 H new ATOM 0 HB2 LEU B 88 19.638 -8.112 6.851 1.00 2.08 H new ATOM 0 HB3 LEU B 88 20.386 -8.919 5.487 1.00 2.08 H new ATOM 0 HG LEU B 88 19.590 -6.620 5.065 1.00 2.37 H new ATOM 0 HD11 LEU B 88 18.549 -7.133 2.834 1.00 2.96 H new ATOM 0 HD12 LEU B 88 19.946 -8.179 3.186 1.00 2.96 H new ATOM 0 HD13 LEU B 88 18.292 -8.811 3.369 1.00 2.96 H new ATOM 0 HD21 LEU B 88 17.198 -6.188 4.600 1.00 3.07 H new ATOM 0 HD22 LEU B 88 16.799 -7.792 5.259 1.00 3.07 H new ATOM 0 HD23 LEU B 88 17.515 -6.550 6.313 1.00 3.07 H new ATOM 2936 N GLU B 89 20.332 -11.403 5.826 1.00 3.39 N ATOM 2937 CA GLU B 89 21.289 -12.477 6.151 1.00 3.99 C ATOM 2938 C GLU B 89 22.703 -11.914 6.372 1.00 3.80 C ATOM 2939 O GLU B 89 23.716 -12.558 6.129 1.00 4.44 O ATOM 2940 CB GLU B 89 21.249 -13.481 5.006 1.00 4.57 C ATOM 2941 CG GLU B 89 21.643 -14.901 5.446 1.00 5.91 C ATOM 2942 CD GLU B 89 21.453 -15.927 4.331 1.00 6.97 C ATOM 2943 OE1 GLU B 89 20.811 -15.571 3.314 1.00 7.11 O ATOM 2944 OE2 GLU B 89 21.910 -17.073 4.531 1.00 8.13 O ATOM 0 H GLU B 89 20.556 -10.936 4.947 1.00 3.39 H new ATOM 0 HA GLU B 89 21.014 -12.968 7.085 1.00 3.99 H new ATOM 0 HB2 GLU B 89 20.245 -13.502 4.582 1.00 4.57 H new ATOM 0 HB3 GLU B 89 21.922 -13.150 4.215 1.00 4.57 H new ATOM 0 HG2 GLU B 89 22.685 -14.904 5.766 1.00 5.91 H new ATOM 0 HG3 GLU B 89 21.044 -15.191 6.309 1.00 5.91 H new ATOM 2951 N ASP B 90 22.734 -10.631 6.721 1.00 3.45 N ATOM 2952 CA ASP B 90 23.886 -9.772 7.041 1.00 3.96 C ATOM 2953 C ASP B 90 24.804 -9.451 5.843 1.00 4.21 C ATOM 2954 O ASP B 90 25.491 -8.434 5.852 1.00 5.39 O ATOM 2955 CB ASP B 90 24.698 -10.340 8.217 1.00 5.29 C ATOM 2956 CG ASP B 90 25.707 -9.314 8.755 1.00 6.57 C ATOM 2957 OD1 ASP B 90 25.281 -8.154 8.979 1.00 7.10 O ATOM 2958 OD2 ASP B 90 26.885 -9.679 8.930 1.00 7.49 O ATOM 0 H ASP B 90 21.863 -10.105 6.797 1.00 3.45 H new ATOM 0 HA ASP B 90 23.450 -8.817 7.335 1.00 3.96 H new ATOM 0 HB2 ASP B 90 24.021 -10.639 9.017 1.00 5.29 H new ATOM 0 HB3 ASP B 90 25.227 -11.237 7.895 1.00 5.29 H new ATOM 2963 N ASN B 91 24.762 -10.249 4.779 1.00 3.77 N ATOM 2964 CA ASN B 91 25.562 -10.059 3.565 1.00 4.53 C ATOM 2965 C ASN B 91 25.217 -8.768 2.785 1.00 4.61 C ATOM 2966 O ASN B 91 26.040 -8.321 1.987 1.00 5.36 O ATOM 2967 CB ASN B 91 25.428 -11.315 2.685 1.00 5.20 C ATOM 2968 CG ASN B 91 26.256 -12.487 3.213 1.00 6.17 C ATOM 2969 OD1 ASN B 91 27.280 -12.840 2.645 1.00 7.27 O ATOM 2970 ND2 ASN B 91 25.861 -13.118 4.303 1.00 6.44 N ATOM 0 H ASN B 91 24.156 -11.068 4.733 1.00 3.77 H new ATOM 0 HA ASN B 91 26.601 -9.924 3.866 1.00 4.53 H new ATOM 0 HB2 ASN B 91 24.380 -11.609 2.633 1.00 5.20 H new ATOM 0 HB3 ASN B 91 25.744 -11.079 1.669 1.00 5.20 H new ATOM 0 HD21 ASN B 91 26.409 -13.897 4.668 1.00 6.44 H new ATOM 0 HD22 ASN B 91 25.008 -12.827 4.780 1.00 6.44 H new ATOM 2977 N LYS B 92 24.038 -8.175 3.061 1.00 4.49 N ATOM 2978 CA LYS B 92 23.491 -6.876 2.597 1.00 5.43 C ATOM 2979 C LYS B 92 22.803 -7.001 1.232 1.00 5.98 C ATOM 2980 O LYS B 92 21.879 -7.839 1.174 1.00 6.15 O ATOM 2981 CB LYS B 92 24.519 -5.719 2.674 1.00 6.53 C ATOM 2982 CG LYS B 92 25.149 -5.493 4.058 1.00 7.33 C ATOM 2983 CD LYS B 92 24.156 -4.982 5.118 1.00 7.73 C ATOM 2984 CE LYS B 92 24.763 -5.015 6.529 1.00 8.84 C ATOM 2985 NZ LYS B 92 24.421 -6.273 7.226 1.00 8.43 N ATOM 2986 OXT LYS B 92 23.145 -6.236 0.312 1.00 6.85 O ATOM 0 H LYS B 92 23.373 -8.640 3.679 1.00 4.49 H new ATOM 0 HA LYS B 92 22.710 -6.595 3.303 1.00 5.43 H new ATOM 0 HB2 LYS B 92 25.317 -5.915 1.957 1.00 6.53 H new ATOM 0 HB3 LYS B 92 24.028 -4.797 2.361 1.00 6.53 H new ATOM 0 HG2 LYS B 92 25.586 -6.429 4.405 1.00 7.33 H new ATOM 0 HG3 LYS B 92 25.965 -4.776 3.963 1.00 7.33 H new ATOM 0 HD2 LYS B 92 23.857 -3.963 4.875 1.00 7.73 H new ATOM 0 HD3 LYS B 92 23.254 -5.593 5.096 1.00 7.73 H new ATOM 0 HE2 LYS B 92 25.846 -4.914 6.465 1.00 8.84 H new ATOM 0 HE3 LYS B 92 24.397 -4.165 7.105 1.00 8.84 H new ATOM 0 HZ1 LYS B 92 24.756 -6.227 8.210 1.00 8.43 H new ATOM 0 HZ2 LYS B 92 23.390 -6.405 7.217 1.00 8.43 H new ATOM 0 HZ3 LYS B 92 24.877 -7.073 6.742 1.00 8.43 H new TER 3000 LYS B 92