USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 834 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: A 78 SER OG : rot 19:sc= 0.563 USER MOD Set 1.2: A 82 TYR OH : rot 161:sc= 1.6 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 12 LYS NZ :NH3+ -140:sc= -0.167 (180deg=-1.55!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.334 K(o=-0.33,f=-1.3) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0185 USER MOD Single : A 29 ASN : amide:sc= -1.69 X(o=-1.7,f=-2.1!) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.126) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 49:sc= 0.106 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.413 K(o=-0.41,f=-1.4) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.862 K(o=-0.86,f=-0.28) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.98! K(o=-2!,f=-0.93) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0972 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0829) USER MOD Single : A 66 GLN : amide:sc= -0.0758 X(o=-0.076,f=-0.46) USER MOD Single : A 68 HIS : no HD1:sc= -0.84 X(o=-0.84,f=-0.99) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.84) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.3! K(o=-2.3!,f=0.011) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0387 K(o=-0.039,f=-1.6!) USER MOD Single : A 85 LYS NZ :NH3+ -145:sc= -2.78 (180deg=-4.13!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -150:sc= -0.164 USER MOD Single : A 92 ASN : amide:sc= -2.07! X(o=-2.1!,f=-2) USER MOD Single : A 100 ASN : amide:sc= -3.26! C(o=-3.3!,f=-10!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -150:sc= -1.59 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 23:sc= 0.827 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.310 7.246 18.464 1.00 0.00 N ATOM 2 CA GLY A 1 -28.019 8.243 17.450 1.00 0.00 C ATOM 3 C GLY A 1 -26.580 8.717 17.498 1.00 0.00 C ATOM 4 O GLY A 1 -25.652 7.912 17.429 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.306 6.955 18.389 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.696 6.419 18.324 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.137 7.649 19.407 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.228 7.826 16.465 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.684 9.096 17.583 1.00 0.00 H new ATOM 8 N SER A 2 -26.395 10.028 17.616 1.00 0.00 N ATOM 9 CA SER A 2 -25.058 10.609 17.669 1.00 0.00 C ATOM 10 C SER A 2 -24.412 10.365 19.029 1.00 0.00 C ATOM 11 O SER A 2 -23.334 9.778 19.121 1.00 0.00 O ATOM 12 CB SER A 2 -25.120 12.111 17.383 1.00 0.00 C ATOM 13 OG SER A 2 -25.710 12.365 16.120 1.00 0.00 O ATOM 0 H SER A 2 -27.153 10.708 17.677 1.00 0.00 H new ATOM 0 HA SER A 2 -24.449 10.126 16.906 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.695 12.610 18.163 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.115 12.531 17.410 1.00 0.00 H new ATOM 0 HG SER A 2 -25.740 13.332 15.961 1.00 0.00 H new ATOM 19 N SER A 3 -25.080 10.820 20.084 1.00 0.00 N ATOM 20 CA SER A 3 -24.571 10.656 21.441 1.00 0.00 C ATOM 21 C SER A 3 -24.433 9.178 21.794 1.00 0.00 C ATOM 22 O SER A 3 -23.400 8.743 22.300 1.00 0.00 O ATOM 23 CB SER A 3 -25.497 11.347 22.443 1.00 0.00 C ATOM 24 OG SER A 3 -25.379 12.757 22.358 1.00 0.00 O ATOM 0 H SER A 3 -25.975 11.305 20.025 1.00 0.00 H new ATOM 0 HA SER A 3 -23.585 11.118 21.491 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.529 11.053 22.252 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.254 11.019 23.454 1.00 0.00 H new ATOM 0 HG SER A 3 -25.982 13.175 23.007 1.00 0.00 H new ATOM 30 N GLY A 4 -25.485 8.411 21.522 1.00 0.00 N ATOM 31 CA GLY A 4 -25.462 6.990 21.818 1.00 0.00 C ATOM 32 C GLY A 4 -24.423 6.245 21.003 1.00 0.00 C ATOM 33 O GLY A 4 -23.930 6.756 19.998 1.00 0.00 O ATOM 0 H GLY A 4 -26.352 8.748 21.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.258 6.846 22.879 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.446 6.565 21.622 1.00 0.00 H new ATOM 37 N SER A 5 -24.089 5.034 21.439 1.00 0.00 N ATOM 38 CA SER A 5 -23.097 4.220 20.746 1.00 0.00 C ATOM 39 C SER A 5 -23.575 3.860 19.342 1.00 0.00 C ATOM 40 O SER A 5 -24.770 3.681 19.108 1.00 0.00 O ATOM 41 CB SER A 5 -22.808 2.945 21.541 1.00 0.00 C ATOM 42 OG SER A 5 -22.481 3.246 22.887 1.00 0.00 O ATOM 0 H SER A 5 -24.490 4.596 22.268 1.00 0.00 H new ATOM 0 HA SER A 5 -22.180 4.803 20.661 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.679 2.290 21.513 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.985 2.402 21.076 1.00 0.00 H new ATOM 0 HG SER A 5 -22.302 2.415 23.374 1.00 0.00 H new ATOM 48 N SER A 6 -22.631 3.756 18.412 1.00 0.00 N ATOM 49 CA SER A 6 -22.954 3.422 17.030 1.00 0.00 C ATOM 50 C SER A 6 -23.756 2.126 16.958 1.00 0.00 C ATOM 51 O SER A 6 -23.570 1.222 17.771 1.00 0.00 O ATOM 52 CB SER A 6 -21.674 3.289 16.203 1.00 0.00 C ATOM 53 OG SER A 6 -21.105 4.560 15.936 1.00 0.00 O ATOM 0 H SER A 6 -21.637 3.898 18.590 1.00 0.00 H new ATOM 0 HA SER A 6 -23.561 4.229 16.619 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.954 2.670 16.738 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.895 2.781 15.264 1.00 0.00 H new ATOM 0 HG SER A 6 -20.287 4.448 15.408 1.00 0.00 H new ATOM 59 N GLY A 7 -24.649 2.044 15.976 1.00 0.00 N ATOM 60 CA GLY A 7 -25.467 0.855 15.815 1.00 0.00 C ATOM 61 C GLY A 7 -26.367 0.932 14.598 1.00 0.00 C ATOM 62 O GLY A 7 -26.227 0.164 13.646 1.00 0.00 O ATOM 0 H GLY A 7 -24.821 2.779 15.290 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.820 -0.018 15.730 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.078 0.714 16.707 1.00 0.00 H new ATOM 66 N PRO A 8 -27.319 1.877 14.619 1.00 0.00 N ATOM 67 CA PRO A 8 -28.265 2.073 13.517 1.00 0.00 C ATOM 68 C PRO A 8 -27.593 2.639 12.270 1.00 0.00 C ATOM 69 O PRO A 8 -28.227 2.787 11.225 1.00 0.00 O ATOM 70 CB PRO A 8 -29.269 3.078 14.086 1.00 0.00 C ATOM 71 CG PRO A 8 -28.513 3.817 15.135 1.00 0.00 C ATOM 72 CD PRO A 8 -27.544 2.828 15.721 1.00 0.00 C ATOM 0 HA PRO A 8 -28.716 1.134 13.195 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -29.635 3.753 13.312 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -30.139 2.574 14.506 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -27.988 4.672 14.709 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -29.185 4.205 15.900 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -26.617 3.310 16.032 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -27.957 2.334 16.600 1.00 0.00 H new ATOM 80 N ARG A 9 -26.307 2.953 12.387 1.00 0.00 N ATOM 81 CA ARG A 9 -25.551 3.503 11.269 1.00 0.00 C ATOM 82 C ARG A 9 -24.222 2.773 11.100 1.00 0.00 C ATOM 83 O ARG A 9 -23.555 2.439 12.080 1.00 0.00 O ATOM 84 CB ARG A 9 -25.300 4.997 11.481 1.00 0.00 C ATOM 85 CG ARG A 9 -24.398 5.301 12.666 1.00 0.00 C ATOM 86 CD ARG A 9 -22.934 5.337 12.257 1.00 0.00 C ATOM 87 NE ARG A 9 -22.536 6.651 11.761 1.00 0.00 N ATOM 88 CZ ARG A 9 -21.272 7.052 11.673 1.00 0.00 C ATOM 89 NH1 ARG A 9 -20.289 6.244 12.046 1.00 0.00 N ATOM 90 NH2 ARG A 9 -20.990 8.264 11.211 1.00 0.00 N ATOM 0 H ARG A 9 -25.767 2.836 13.245 1.00 0.00 H new ATOM 0 HA ARG A 9 -26.140 3.365 10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -24.853 5.413 10.578 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -26.256 5.501 11.624 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -24.679 6.260 13.102 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -24.543 4.545 13.438 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -22.312 5.069 13.111 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -22.755 4.589 11.485 1.00 0.00 H new ATOM 0 HE ARG A 9 -23.268 7.297 11.466 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -20.502 5.312 12.402 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.320 6.554 11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -21.744 8.888 10.923 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.020 8.571 11.144 1.00 0.00 H new ATOM 104 N THR A 10 -23.842 2.526 9.850 1.00 0.00 N ATOM 105 CA THR A 10 -22.595 1.834 9.552 1.00 0.00 C ATOM 106 C THR A 10 -22.200 2.017 8.091 1.00 0.00 C ATOM 107 O THR A 10 -22.982 2.521 7.284 1.00 0.00 O ATOM 108 CB THR A 10 -22.700 0.329 9.859 1.00 0.00 C ATOM 109 OG1 THR A 10 -21.641 -0.380 9.207 1.00 0.00 O ATOM 110 CG2 THR A 10 -24.043 -0.224 9.404 1.00 0.00 C ATOM 0 H THR A 10 -24.381 2.796 9.027 1.00 0.00 H new ATOM 0 HA THR A 10 -21.829 2.275 10.190 1.00 0.00 H new ATOM 0 HB THR A 10 -22.616 0.195 10.937 1.00 0.00 H new ATOM 0 HG1 THR A 10 -21.715 -1.336 9.409 1.00 0.00 H new ATOM 0 HG21 THR A 10 -24.094 -1.289 9.631 1.00 0.00 H new ATOM 0 HG22 THR A 10 -24.846 0.297 9.925 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.152 -0.077 8.329 1.00 0.00 H new ATOM 118 N VAL A 11 -20.983 1.602 7.755 1.00 0.00 N ATOM 119 CA VAL A 11 -20.485 1.718 6.390 1.00 0.00 C ATOM 120 C VAL A 11 -20.245 0.345 5.774 1.00 0.00 C ATOM 121 O VAL A 11 -20.273 -0.673 6.467 1.00 0.00 O ATOM 122 CB VAL A 11 -19.176 2.528 6.337 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.398 3.938 6.862 1.00 0.00 C ATOM 124 CG2 VAL A 11 -18.081 1.823 7.124 1.00 0.00 C ATOM 0 H VAL A 11 -20.323 1.182 8.410 1.00 0.00 H new ATOM 0 HA VAL A 11 -21.251 2.241 5.817 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.856 2.600 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.462 4.495 6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.149 4.440 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.743 3.892 7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.163 2.409 7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.390 1.718 8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.904 0.836 6.697 1.00 0.00 H new ATOM 134 N LYS A 12 -20.008 0.322 4.467 1.00 0.00 N ATOM 135 CA LYS A 12 -19.761 -0.927 3.755 1.00 0.00 C ATOM 136 C LYS A 12 -18.370 -1.467 4.070 1.00 0.00 C ATOM 137 O LYS A 12 -17.365 -0.805 3.813 1.00 0.00 O ATOM 138 CB LYS A 12 -19.908 -0.715 2.246 1.00 0.00 C ATOM 139 CG LYS A 12 -21.345 -0.783 1.760 1.00 0.00 C ATOM 140 CD LYS A 12 -21.436 -0.570 0.258 1.00 0.00 C ATOM 141 CE LYS A 12 -21.137 -1.851 -0.506 1.00 0.00 C ATOM 142 NZ LYS A 12 -19.682 -2.004 -0.783 1.00 0.00 N ATOM 0 H LYS A 12 -19.982 1.155 3.878 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.499 -1.658 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.489 0.256 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.320 -1.469 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.772 -1.752 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.940 -0.027 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.434 -0.216 -0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.734 0.207 -0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.489 -2.707 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.688 -1.850 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.549 -2.382 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.215 -1.078 -0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.264 -2.660 -0.092 1.00 0.00 H new ATOM 156 N GLU A 13 -18.320 -2.673 4.627 1.00 0.00 N ATOM 157 CA GLU A 13 -17.051 -3.301 4.976 1.00 0.00 C ATOM 158 C GLU A 13 -16.294 -3.732 3.722 1.00 0.00 C ATOM 159 O GLU A 13 -16.688 -4.680 3.041 1.00 0.00 O ATOM 160 CB GLU A 13 -17.287 -4.509 5.883 1.00 0.00 C ATOM 161 CG GLU A 13 -18.142 -5.591 5.246 1.00 0.00 C ATOM 162 CD GLU A 13 -18.758 -6.527 6.268 1.00 0.00 C ATOM 163 OE1 GLU A 13 -19.288 -6.029 7.283 1.00 0.00 O ATOM 164 OE2 GLU A 13 -18.708 -7.756 6.054 1.00 0.00 O ATOM 0 H GLU A 13 -19.143 -3.234 4.846 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.447 -2.568 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.324 -4.936 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.766 -4.174 6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.935 -5.125 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.532 -6.169 4.551 1.00 0.00 H new ATOM 171 N LEU A 14 -15.208 -3.029 3.424 1.00 0.00 N ATOM 172 CA LEU A 14 -14.395 -3.337 2.252 1.00 0.00 C ATOM 173 C LEU A 14 -13.169 -4.157 2.641 1.00 0.00 C ATOM 174 O LEU A 14 -12.526 -3.891 3.657 1.00 0.00 O ATOM 175 CB LEU A 14 -13.960 -2.047 1.555 1.00 0.00 C ATOM 176 CG LEU A 14 -15.080 -1.076 1.180 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.512 0.300 0.869 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.873 -1.608 -0.004 1.00 0.00 C ATOM 0 H LEU A 14 -14.869 -2.242 3.977 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.001 -3.927 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.257 -1.526 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.418 -2.313 0.647 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.755 -0.984 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.324 0.977 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.990 0.685 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.815 0.226 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.666 -0.904 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.210 -1.731 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.312 -2.571 0.256 1.00 0.00 H new ATOM 190 N THR A 15 -12.847 -5.156 1.824 1.00 0.00 N ATOM 191 CA THR A 15 -11.698 -6.014 2.080 1.00 0.00 C ATOM 192 C THR A 15 -10.484 -5.562 1.277 1.00 0.00 C ATOM 193 O THR A 15 -10.315 -5.946 0.120 1.00 0.00 O ATOM 194 CB THR A 15 -12.007 -7.484 1.739 1.00 0.00 C ATOM 195 OG1 THR A 15 -13.189 -7.908 2.427 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.841 -8.384 2.120 1.00 0.00 C ATOM 0 H THR A 15 -13.367 -5.390 0.979 1.00 0.00 H new ATOM 0 HA THR A 15 -11.476 -5.935 3.144 1.00 0.00 H new ATOM 0 HB THR A 15 -12.167 -7.559 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.380 -8.843 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.082 -9.417 1.870 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.950 -8.077 1.573 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.654 -8.304 3.191 1.00 0.00 H new ATOM 204 N VAL A 16 -9.640 -4.744 1.898 1.00 0.00 N ATOM 205 CA VAL A 16 -8.439 -4.241 1.241 1.00 0.00 C ATOM 206 C VAL A 16 -7.251 -5.164 1.486 1.00 0.00 C ATOM 207 O VAL A 16 -7.032 -5.627 2.606 1.00 0.00 O ATOM 208 CB VAL A 16 -8.084 -2.824 1.729 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.797 -2.342 1.077 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.228 -1.862 1.447 1.00 0.00 C ATOM 0 H VAL A 16 -9.766 -4.415 2.855 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.654 -4.206 0.173 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.926 -2.858 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.562 -1.339 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.983 -3.019 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.923 -2.322 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.960 -0.865 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.420 -1.829 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.125 -2.201 1.966 1.00 0.00 H new ATOM 220 N SER A 17 -6.485 -5.427 0.432 1.00 0.00 N ATOM 221 CA SER A 17 -5.320 -6.298 0.532 1.00 0.00 C ATOM 222 C SER A 17 -4.252 -5.895 -0.481 1.00 0.00 C ATOM 223 O SER A 17 -4.526 -5.783 -1.676 1.00 0.00 O ATOM 224 CB SER A 17 -5.726 -7.756 0.309 1.00 0.00 C ATOM 225 OG SER A 17 -4.647 -8.633 0.583 1.00 0.00 O ATOM 0 H SER A 17 -6.650 -5.049 -0.501 1.00 0.00 H new ATOM 0 HA SER A 17 -4.904 -6.193 1.534 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.572 -8.003 0.950 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.056 -7.891 -0.721 1.00 0.00 H new ATOM 0 HG SER A 17 -4.932 -9.559 0.435 1.00 0.00 H new ATOM 231 N ALA A 18 -3.035 -5.678 0.006 1.00 0.00 N ATOM 232 CA ALA A 18 -1.925 -5.290 -0.855 1.00 0.00 C ATOM 233 C ALA A 18 -1.428 -6.474 -1.678 1.00 0.00 C ATOM 234 O ALA A 18 -0.995 -6.312 -2.818 1.00 0.00 O ATOM 235 CB ALA A 18 -0.791 -4.708 -0.025 1.00 0.00 C ATOM 0 H ALA A 18 -2.793 -5.764 0.993 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.283 -4.527 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.031 -4.423 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.148 -3.830 0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.443 -5.454 0.689 1.00 0.00 H new ATOM 241 N GLY A 19 -1.494 -7.665 -1.091 1.00 0.00 N ATOM 242 CA GLY A 19 -1.046 -8.859 -1.785 1.00 0.00 C ATOM 243 C GLY A 19 -0.292 -9.809 -0.876 1.00 0.00 C ATOM 244 O GLY A 19 -0.829 -10.835 -0.456 1.00 0.00 O ATOM 0 H GLY A 19 -1.849 -7.825 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.908 -9.374 -2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.404 -8.572 -2.618 1.00 0.00 H new ATOM 248 N ASP A 20 0.955 -9.470 -0.571 1.00 0.00 N ATOM 249 CA ASP A 20 1.785 -10.301 0.294 1.00 0.00 C ATOM 250 C ASP A 20 3.120 -9.622 0.581 1.00 0.00 C ATOM 251 O ASP A 20 3.553 -8.742 -0.161 1.00 0.00 O ATOM 252 CB ASP A 20 2.021 -11.667 -0.351 1.00 0.00 C ATOM 253 CG ASP A 20 2.677 -12.650 0.600 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.316 -12.650 1.795 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.552 -13.418 0.148 1.00 0.00 O ATOM 0 H ASP A 20 1.414 -8.625 -0.910 1.00 0.00 H new ATOM 0 HA ASP A 20 1.259 -10.440 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.069 -12.075 -0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.649 -11.545 -1.234 1.00 0.00 H new ATOM 260 N ASN A 21 3.768 -10.037 1.665 1.00 0.00 N ATOM 261 CA ASN A 21 5.054 -9.468 2.052 1.00 0.00 C ATOM 262 C ASN A 21 6.033 -9.491 0.882 1.00 0.00 C ATOM 263 O ASN A 21 6.115 -10.475 0.145 1.00 0.00 O ATOM 264 CB ASN A 21 5.640 -10.238 3.237 1.00 0.00 C ATOM 265 CG ASN A 21 6.105 -11.629 2.851 1.00 0.00 C ATOM 266 OD1 ASN A 21 7.166 -11.796 2.248 1.00 0.00 O ATOM 267 ND2 ASN A 21 5.311 -12.635 3.196 1.00 0.00 N ATOM 0 H ASN A 21 3.424 -10.765 2.291 1.00 0.00 H new ATOM 0 HA ASN A 21 4.891 -8.431 2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.480 -9.679 3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.890 -10.314 4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.571 -13.593 2.962 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.441 -12.450 3.695 1.00 0.00 H new ATOM 274 N LEU A 22 6.775 -8.402 0.717 1.00 0.00 N ATOM 275 CA LEU A 22 7.750 -8.297 -0.363 1.00 0.00 C ATOM 276 C LEU A 22 9.159 -8.110 0.192 1.00 0.00 C ATOM 277 O LEU A 22 9.356 -7.420 1.193 1.00 0.00 O ATOM 278 CB LEU A 22 7.395 -7.130 -1.285 1.00 0.00 C ATOM 279 CG LEU A 22 5.980 -7.140 -1.866 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.581 -8.550 -2.274 1.00 0.00 C ATOM 281 CD2 LEU A 22 4.987 -6.572 -0.863 1.00 0.00 C ATOM 0 H LEU A 22 6.720 -7.579 1.317 1.00 0.00 H new ATOM 0 HA LEU A 22 7.724 -9.225 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.532 -6.201 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.106 -7.117 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 22 5.968 -6.509 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.572 -8.538 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.275 -8.921 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.610 -9.203 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.986 -6.587 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.001 -7.176 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.262 -5.546 -0.620 1.00 0.00 H new ATOM 293 N ILE A 23 10.135 -8.727 -0.466 1.00 0.00 N ATOM 294 CA ILE A 23 11.525 -8.626 -0.040 1.00 0.00 C ATOM 295 C ILE A 23 12.442 -8.335 -1.223 1.00 0.00 C ATOM 296 O ILE A 23 12.488 -9.098 -2.188 1.00 0.00 O ATOM 297 CB ILE A 23 11.996 -9.918 0.654 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.151 -10.190 1.900 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.470 -9.815 1.019 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.324 -11.587 2.454 1.00 0.00 C ATOM 0 H ILE A 23 9.989 -9.302 -1.296 1.00 0.00 H new ATOM 0 HA ILE A 23 11.579 -7.801 0.670 1.00 0.00 H new ATOM 0 HB ILE A 23 11.870 -10.752 -0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.413 -9.467 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.100 -10.031 1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.789 -10.735 1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.059 -9.662 0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.619 -8.974 1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.695 -11.709 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.034 -12.317 1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.367 -11.743 2.728 1.00 0.00 H new ATOM 312 N ILE A 24 13.171 -7.227 -1.140 1.00 0.00 N ATOM 313 CA ILE A 24 14.090 -6.836 -2.202 1.00 0.00 C ATOM 314 C ILE A 24 15.534 -6.851 -1.713 1.00 0.00 C ATOM 315 O ILE A 24 15.794 -6.920 -0.511 1.00 0.00 O ATOM 316 CB ILE A 24 13.758 -5.434 -2.746 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.135 -4.571 -1.647 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.821 -5.537 -3.941 1.00 0.00 C ATOM 319 CD1 ILE A 24 12.768 -3.178 -2.107 1.00 0.00 C ATOM 0 H ILE A 24 13.143 -6.584 -0.348 1.00 0.00 H new ATOM 0 HA ILE A 24 13.973 -7.565 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 24 14.683 -4.960 -3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.241 -5.067 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.834 -4.497 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.596 -4.538 -4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.299 -6.119 -4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.896 -6.028 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.332 -2.623 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.663 -2.663 -2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.045 -3.242 -2.920 1.00 0.00 H new ATOM 331 N THR A 25 16.472 -6.783 -2.653 1.00 0.00 N ATOM 332 CA THR A 25 17.891 -6.788 -2.319 1.00 0.00 C ATOM 333 C THR A 25 18.648 -5.735 -3.120 1.00 0.00 C ATOM 334 O THR A 25 18.396 -5.547 -4.311 1.00 0.00 O ATOM 335 CB THR A 25 18.524 -8.168 -2.577 1.00 0.00 C ATOM 336 OG1 THR A 25 17.796 -9.181 -1.875 1.00 0.00 O ATOM 337 CG2 THR A 25 19.980 -8.186 -2.136 1.00 0.00 C ATOM 0 H THR A 25 16.274 -6.724 -3.652 1.00 0.00 H new ATOM 0 HA THR A 25 17.967 -6.555 -1.257 1.00 0.00 H new ATOM 0 HB THR A 25 18.482 -8.367 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.204 -10.055 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.406 -9.171 -2.328 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.538 -7.434 -2.694 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.040 -7.966 -1.070 1.00 0.00 H new ATOM 345 N LEU A 26 19.577 -5.052 -2.461 1.00 0.00 N ATOM 346 CA LEU A 26 20.372 -4.017 -3.113 1.00 0.00 C ATOM 347 C LEU A 26 21.117 -4.582 -4.319 1.00 0.00 C ATOM 348 O LEU A 26 21.396 -5.778 -4.402 1.00 0.00 O ATOM 349 CB LEU A 26 21.368 -3.411 -2.123 1.00 0.00 C ATOM 350 CG LEU A 26 20.783 -2.454 -1.084 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.874 -1.937 -0.160 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.068 -1.298 -1.767 1.00 0.00 C ATOM 0 H LEU A 26 19.799 -5.196 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 26 19.694 -3.237 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.868 -4.225 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.133 -2.879 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 26 20.056 -3.001 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.439 -1.257 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.341 -2.776 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.625 -1.407 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.658 -0.627 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.774 -0.752 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.259 -1.685 -2.386 1.00 0.00 H new ATOM 364 N PRO A 27 21.449 -3.702 -5.275 1.00 0.00 N ATOM 365 CA PRO A 27 21.121 -2.276 -5.187 1.00 0.00 C ATOM 366 C PRO A 27 19.625 -2.015 -5.329 1.00 0.00 C ATOM 367 O PRO A 27 19.112 -1.010 -4.839 1.00 0.00 O ATOM 368 CB PRO A 27 21.885 -1.664 -6.364 1.00 0.00 C ATOM 369 CG PRO A 27 22.038 -2.780 -7.339 1.00 0.00 C ATOM 370 CD PRO A 27 22.169 -4.032 -6.517 1.00 0.00 C ATOM 0 HA PRO A 27 21.392 -1.854 -4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.337 -0.829 -6.801 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.854 -1.278 -6.049 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.176 -2.838 -8.004 1.00 0.00 H new ATOM 0 HG3 PRO A 27 22.916 -2.632 -7.967 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.727 -4.892 -7.021 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.213 -4.278 -6.323 1.00 0.00 H new ATOM 378 N ASP A 28 18.932 -2.927 -6.002 1.00 0.00 N ATOM 379 CA ASP A 28 17.494 -2.796 -6.207 1.00 0.00 C ATOM 380 C ASP A 28 16.806 -2.310 -4.935 1.00 0.00 C ATOM 381 O ASP A 28 16.579 -3.085 -4.007 1.00 0.00 O ATOM 382 CB ASP A 28 16.896 -4.133 -6.647 1.00 0.00 C ATOM 383 CG ASP A 28 16.894 -4.299 -8.154 1.00 0.00 C ATOM 384 OD1 ASP A 28 16.067 -3.644 -8.822 1.00 0.00 O ATOM 385 OD2 ASP A 28 17.720 -5.083 -8.665 1.00 0.00 O ATOM 0 H ASP A 28 19.342 -3.765 -6.415 1.00 0.00 H new ATOM 0 HA ASP A 28 17.329 -2.058 -6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.463 -4.947 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.875 -4.211 -6.275 1.00 0.00 H new ATOM 390 N ASN A 29 16.478 -1.023 -4.900 1.00 0.00 N ATOM 391 CA ASN A 29 15.817 -0.434 -3.741 1.00 0.00 C ATOM 392 C ASN A 29 14.464 0.156 -4.128 1.00 0.00 C ATOM 393 O ASN A 29 13.962 1.067 -3.471 1.00 0.00 O ATOM 394 CB ASN A 29 16.700 0.651 -3.122 1.00 0.00 C ATOM 395 CG ASN A 29 17.569 1.347 -4.151 1.00 0.00 C ATOM 396 OD1 ASN A 29 18.796 1.347 -4.046 1.00 0.00 O ATOM 397 ND2 ASN A 29 16.935 1.945 -5.153 1.00 0.00 N ATOM 0 H ASN A 29 16.659 -0.368 -5.661 1.00 0.00 H new ATOM 0 HA ASN A 29 15.653 -1.223 -3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.070 1.388 -2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.335 0.206 -2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.467 2.430 -5.876 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.916 1.919 -5.200 1.00 0.00 H new ATOM 404 N GLU A 30 13.878 -0.372 -5.199 1.00 0.00 N ATOM 405 CA GLU A 30 12.583 0.102 -5.672 1.00 0.00 C ATOM 406 C GLU A 30 11.570 -1.038 -5.717 1.00 0.00 C ATOM 407 O GLU A 30 11.885 -2.148 -6.145 1.00 0.00 O ATOM 408 CB GLU A 30 12.722 0.730 -7.061 1.00 0.00 C ATOM 409 CG GLU A 30 13.801 1.797 -7.141 1.00 0.00 C ATOM 410 CD GLU A 30 13.892 2.432 -8.515 1.00 0.00 C ATOM 411 OE1 GLU A 30 13.689 1.713 -9.516 1.00 0.00 O ATOM 412 OE2 GLU A 30 14.168 3.648 -8.589 1.00 0.00 O ATOM 0 H GLU A 30 14.280 -1.127 -5.754 1.00 0.00 H new ATOM 0 HA GLU A 30 12.223 0.857 -4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.944 -0.054 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.767 1.169 -7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.598 2.570 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.764 1.355 -6.885 1.00 0.00 H new ATOM 419 N VAL A 31 10.350 -0.755 -5.270 1.00 0.00 N ATOM 420 CA VAL A 31 9.289 -1.755 -5.258 1.00 0.00 C ATOM 421 C VAL A 31 7.939 -1.127 -5.584 1.00 0.00 C ATOM 422 O VAL A 31 7.651 -0.003 -5.174 1.00 0.00 O ATOM 423 CB VAL A 31 9.198 -2.461 -3.893 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.230 -1.444 -2.762 1.00 0.00 C ATOM 425 CG2 VAL A 31 7.941 -3.314 -3.817 1.00 0.00 C ATOM 0 H VAL A 31 10.072 0.159 -4.912 1.00 0.00 H new ATOM 0 HA VAL A 31 9.539 -2.491 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 31 10.062 -3.117 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.165 -1.962 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.162 -0.880 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.387 -0.761 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.893 -3.806 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.063 -2.681 -3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.965 -4.068 -4.604 1.00 0.00 H new ATOM 435 N GLU A 32 7.114 -1.861 -6.325 1.00 0.00 N ATOM 436 CA GLU A 32 5.793 -1.375 -6.706 1.00 0.00 C ATOM 437 C GLU A 32 4.696 -2.209 -6.051 1.00 0.00 C ATOM 438 O GLU A 32 4.500 -3.376 -6.392 1.00 0.00 O ATOM 439 CB GLU A 32 5.633 -1.406 -8.227 1.00 0.00 C ATOM 440 CG GLU A 32 4.213 -1.136 -8.696 1.00 0.00 C ATOM 441 CD GLU A 32 4.159 -0.584 -10.107 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.174 -0.012 -10.558 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.104 -0.723 -10.759 1.00 0.00 O ATOM 0 H GLU A 32 7.337 -2.793 -6.673 1.00 0.00 H new ATOM 0 HA GLU A 32 5.699 -0.346 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.299 -0.665 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.950 -2.381 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.637 -2.060 -8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.738 -0.430 -8.015 1.00 0.00 H new ATOM 450 N LEU A 33 3.984 -1.603 -5.107 1.00 0.00 N ATOM 451 CA LEU A 33 2.906 -2.289 -4.403 1.00 0.00 C ATOM 452 C LEU A 33 1.552 -1.954 -5.020 1.00 0.00 C ATOM 453 O LEU A 33 1.403 -0.944 -5.708 1.00 0.00 O ATOM 454 CB LEU A 33 2.913 -1.905 -2.922 1.00 0.00 C ATOM 455 CG LEU A 33 4.283 -1.870 -2.244 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.298 -0.841 -1.124 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.650 -3.247 -1.711 1.00 0.00 C ATOM 0 H LEU A 33 4.134 -0.638 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 33 3.071 -3.363 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.454 -0.921 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.280 -2.609 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 33 5.027 -1.580 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.281 -0.830 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.081 0.146 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.543 -1.100 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.628 -3.203 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.904 -3.566 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.682 -3.960 -2.535 1.00 0.00 H new ATOM 469 N LYS A 34 0.566 -2.808 -4.769 1.00 0.00 N ATOM 470 CA LYS A 34 -0.778 -2.602 -5.296 1.00 0.00 C ATOM 471 C LYS A 34 -1.833 -3.035 -4.282 1.00 0.00 C ATOM 472 O LYS A 34 -1.743 -4.116 -3.702 1.00 0.00 O ATOM 473 CB LYS A 34 -0.961 -3.381 -6.601 1.00 0.00 C ATOM 474 CG LYS A 34 -2.106 -2.871 -7.458 1.00 0.00 C ATOM 475 CD LYS A 34 -2.530 -3.900 -8.493 1.00 0.00 C ATOM 476 CE LYS A 34 -3.400 -3.278 -9.574 1.00 0.00 C ATOM 477 NZ LYS A 34 -2.611 -2.410 -10.491 1.00 0.00 N ATOM 0 H LYS A 34 0.672 -3.650 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.904 -1.538 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.037 -3.331 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.134 -4.431 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.955 -2.623 -6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.804 -1.952 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.645 -4.346 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.077 -4.706 -8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.885 -4.067 -10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.192 -2.690 -9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.181 -2.184 -11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.353 -1.530 -10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.747 -2.909 -10.783 1.00 0.00 H new ATOM 491 N ALA A 35 -2.832 -2.183 -4.074 1.00 0.00 N ATOM 492 CA ALA A 35 -3.905 -2.479 -3.133 1.00 0.00 C ATOM 493 C ALA A 35 -5.080 -3.150 -3.835 1.00 0.00 C ATOM 494 O ALA A 35 -5.386 -2.844 -4.988 1.00 0.00 O ATOM 495 CB ALA A 35 -4.361 -1.206 -2.436 1.00 0.00 C ATOM 0 H ALA A 35 -2.920 -1.282 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.519 -3.171 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.163 -1.442 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.523 -0.768 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.725 -0.495 -3.178 1.00 0.00 H new ATOM 501 N PHE A 36 -5.736 -4.068 -3.133 1.00 0.00 N ATOM 502 CA PHE A 36 -6.878 -4.785 -3.689 1.00 0.00 C ATOM 503 C PHE A 36 -8.078 -4.710 -2.750 1.00 0.00 C ATOM 504 O PHE A 36 -8.080 -5.315 -1.677 1.00 0.00 O ATOM 505 CB PHE A 36 -6.511 -6.247 -3.951 1.00 0.00 C ATOM 506 CG PHE A 36 -5.606 -6.436 -5.134 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.111 -6.391 -6.424 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.250 -6.658 -4.957 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.280 -6.563 -7.515 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.414 -6.831 -6.045 1.00 0.00 C ATOM 511 CZ PHE A 36 -3.930 -6.785 -7.325 1.00 0.00 C ATOM 0 H PHE A 36 -5.496 -4.333 -2.178 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.148 -4.311 -4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.027 -6.656 -3.064 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.425 -6.820 -4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.166 -6.220 -6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.841 -6.696 -3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.686 -6.524 -8.515 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.358 -7.002 -5.894 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.279 -6.922 -8.176 1.00 0.00 H new ATOM 521 N VAL A 37 -9.098 -3.963 -3.160 1.00 0.00 N ATOM 522 CA VAL A 37 -10.304 -3.808 -2.356 1.00 0.00 C ATOM 523 C VAL A 37 -11.526 -4.352 -3.089 1.00 0.00 C ATOM 524 O VAL A 37 -11.835 -3.928 -4.201 1.00 0.00 O ATOM 525 CB VAL A 37 -10.552 -2.332 -1.994 1.00 0.00 C ATOM 526 CG1 VAL A 37 -10.707 -1.492 -3.253 1.00 0.00 C ATOM 527 CG2 VAL A 37 -11.777 -2.201 -1.102 1.00 0.00 C ATOM 0 H VAL A 37 -9.113 -3.456 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.149 -4.378 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.688 -1.961 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.882 -0.452 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.798 -1.561 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.552 -1.860 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.937 -1.151 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.651 -2.589 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.622 -2.769 -0.185 1.00 0.00 H new ATOM 537 N ALA A 38 -12.217 -5.295 -2.456 1.00 0.00 N ATOM 538 CA ALA A 38 -13.407 -5.896 -3.046 1.00 0.00 C ATOM 539 C ALA A 38 -14.648 -5.584 -2.217 1.00 0.00 C ATOM 540 O ALA A 38 -14.594 -5.472 -0.992 1.00 0.00 O ATOM 541 CB ALA A 38 -13.226 -7.400 -3.183 1.00 0.00 C ATOM 0 H ALA A 38 -11.973 -5.659 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.547 -5.466 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.122 -7.836 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.369 -7.606 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.057 -7.837 -2.199 1.00 0.00 H new ATOM 547 N PRO A 39 -15.794 -5.438 -2.898 1.00 0.00 N ATOM 548 CA PRO A 39 -15.870 -5.569 -4.356 1.00 0.00 C ATOM 549 C PRO A 39 -15.181 -4.416 -5.078 1.00 0.00 C ATOM 550 O PRO A 39 -14.948 -3.357 -4.496 1.00 0.00 O ATOM 551 CB PRO A 39 -17.375 -5.551 -4.636 1.00 0.00 C ATOM 552 CG PRO A 39 -17.966 -4.810 -3.486 1.00 0.00 C ATOM 553 CD PRO A 39 -17.104 -5.135 -2.298 1.00 0.00 C ATOM 0 HA PRO A 39 -15.367 -6.468 -4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.596 -5.056 -5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.777 -6.562 -4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.978 -3.737 -3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.998 -5.115 -3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.044 -4.296 -1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.495 -5.984 -1.738 1.00 0.00 H new ATOM 561 N ALA A 40 -14.858 -4.628 -6.349 1.00 0.00 N ATOM 562 CA ALA A 40 -14.197 -3.606 -7.151 1.00 0.00 C ATOM 563 C ALA A 40 -15.165 -2.486 -7.517 1.00 0.00 C ATOM 564 O ALA A 40 -16.329 -2.720 -7.844 1.00 0.00 O ATOM 565 CB ALA A 40 -13.602 -4.223 -8.408 1.00 0.00 C ATOM 0 H ALA A 40 -15.043 -5.499 -6.846 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.392 -3.176 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.112 -3.448 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.872 -4.983 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.395 -4.681 -8.999 1.00 0.00 H new ATOM 571 N PRO A 41 -14.675 -1.238 -7.461 1.00 0.00 N ATOM 572 CA PRO A 41 -15.481 -0.056 -7.784 1.00 0.00 C ATOM 573 C PRO A 41 -15.809 0.034 -9.270 1.00 0.00 C ATOM 574 O PRO A 41 -15.107 -0.515 -10.120 1.00 0.00 O ATOM 575 CB PRO A 41 -14.584 1.110 -7.362 1.00 0.00 C ATOM 576 CG PRO A 41 -13.198 0.571 -7.444 1.00 0.00 C ATOM 577 CD PRO A 41 -13.298 -0.885 -7.080 1.00 0.00 C ATOM 0 HA PRO A 41 -16.448 -0.072 -7.281 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.714 1.968 -8.021 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.819 1.445 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.790 0.695 -8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.533 1.099 -6.761 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.565 -1.485 -7.620 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.121 -1.046 -6.017 1.00 0.00 H new ATOM 585 N PRO A 42 -16.901 0.742 -9.594 1.00 0.00 N ATOM 586 CA PRO A 42 -17.346 0.921 -10.980 1.00 0.00 C ATOM 587 C PRO A 42 -16.407 1.819 -11.779 1.00 0.00 C ATOM 588 O PRO A 42 -15.315 2.156 -11.321 1.00 0.00 O ATOM 589 CB PRO A 42 -18.718 1.583 -10.829 1.00 0.00 C ATOM 590 CG PRO A 42 -18.663 2.273 -9.510 1.00 0.00 C ATOM 591 CD PRO A 42 -17.785 1.423 -8.633 1.00 0.00 C ATOM 0 HA PRO A 42 -17.370 -0.022 -11.525 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.908 2.289 -11.637 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.519 0.844 -10.856 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.255 3.279 -9.613 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.660 2.376 -9.082 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.219 2.028 -7.925 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.369 0.711 -8.049 1.00 0.00 H new ATOM 599 N VAL A 43 -16.839 2.203 -12.975 1.00 0.00 N ATOM 600 CA VAL A 43 -16.037 3.063 -13.838 1.00 0.00 C ATOM 601 C VAL A 43 -16.058 4.506 -13.347 1.00 0.00 C ATOM 602 O VAL A 43 -15.060 5.219 -13.443 1.00 0.00 O ATOM 603 CB VAL A 43 -16.537 3.020 -15.294 1.00 0.00 C ATOM 604 CG1 VAL A 43 -17.986 3.476 -15.375 1.00 0.00 C ATOM 605 CG2 VAL A 43 -15.650 3.874 -16.187 1.00 0.00 C ATOM 0 H VAL A 43 -17.740 1.932 -13.369 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.015 2.685 -13.802 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.485 1.990 -15.647 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.322 3.439 -16.411 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.609 2.819 -14.768 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.067 4.498 -15.004 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.018 3.832 -17.212 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.668 4.906 -15.837 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.628 3.497 -16.153 1.00 0.00 H new ATOM 615 N GLU A 44 -17.203 4.930 -12.820 1.00 0.00 N ATOM 616 CA GLU A 44 -17.353 6.289 -12.315 1.00 0.00 C ATOM 617 C GLU A 44 -16.763 6.417 -10.913 1.00 0.00 C ATOM 618 O GLU A 44 -15.686 6.985 -10.729 1.00 0.00 O ATOM 619 CB GLU A 44 -18.830 6.690 -12.296 1.00 0.00 C ATOM 620 CG GLU A 44 -19.399 6.982 -13.675 1.00 0.00 C ATOM 621 CD GLU A 44 -20.674 7.800 -13.618 1.00 0.00 C ATOM 622 OE1 GLU A 44 -21.752 7.203 -13.415 1.00 0.00 O ATOM 623 OE2 GLU A 44 -20.595 9.036 -13.776 1.00 0.00 O ATOM 0 H GLU A 44 -18.039 4.352 -12.732 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.810 6.959 -12.982 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.409 5.890 -11.835 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.950 7.573 -11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.655 7.517 -14.265 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.598 6.041 -14.189 1.00 0.00 H new ATOM 630 N THR A 45 -17.476 5.884 -9.926 1.00 0.00 N ATOM 631 CA THR A 45 -17.025 5.939 -8.541 1.00 0.00 C ATOM 632 C THR A 45 -15.700 5.207 -8.365 1.00 0.00 C ATOM 633 O THR A 45 -15.525 4.090 -8.853 1.00 0.00 O ATOM 634 CB THR A 45 -18.067 5.327 -7.586 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.361 5.879 -7.854 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.690 5.585 -6.136 1.00 0.00 C ATOM 0 H THR A 45 -18.369 5.409 -10.060 1.00 0.00 H new ATOM 0 HA THR A 45 -16.891 6.992 -8.294 1.00 0.00 H new ATOM 0 HB THR A 45 -18.091 4.250 -7.752 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.018 5.484 -7.244 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.441 5.143 -5.481 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.718 5.138 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.640 6.659 -5.959 1.00 0.00 H new ATOM 644 N THR A 46 -14.766 5.843 -7.664 1.00 0.00 N ATOM 645 CA THR A 46 -13.456 5.252 -7.424 1.00 0.00 C ATOM 646 C THR A 46 -12.945 5.596 -6.029 1.00 0.00 C ATOM 647 O THR A 46 -12.743 6.765 -5.702 1.00 0.00 O ATOM 648 CB THR A 46 -12.426 5.727 -8.466 1.00 0.00 C ATOM 649 OG1 THR A 46 -12.506 7.148 -8.622 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.663 5.050 -9.808 1.00 0.00 C ATOM 0 H THR A 46 -14.893 6.768 -7.253 1.00 0.00 H new ATOM 0 HA THR A 46 -13.576 4.172 -7.509 1.00 0.00 H new ATOM 0 HB THR A 46 -11.432 5.457 -8.111 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.502 7.575 -7.740 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.924 5.401 -10.528 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.572 3.970 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.663 5.293 -10.167 1.00 0.00 H new ATOM 658 N TYR A 47 -12.738 4.570 -5.211 1.00 0.00 N ATOM 659 CA TYR A 47 -12.252 4.764 -3.850 1.00 0.00 C ATOM 660 C TYR A 47 -10.972 5.594 -3.841 1.00 0.00 C ATOM 661 O TYR A 47 -10.473 5.995 -4.892 1.00 0.00 O ATOM 662 CB TYR A 47 -12.002 3.413 -3.178 1.00 0.00 C ATOM 663 CG TYR A 47 -13.163 2.453 -3.298 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.472 2.891 -3.141 1.00 0.00 C ATOM 665 CD2 TYR A 47 -12.951 1.106 -3.570 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.536 2.016 -3.249 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.010 0.225 -3.682 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.300 0.685 -3.520 1.00 0.00 C ATOM 669 OH TYR A 47 -16.357 -0.189 -3.631 1.00 0.00 O ATOM 0 H TYR A 47 -12.899 3.596 -5.467 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.017 5.304 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.116 2.956 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.784 3.576 -2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.661 3.933 -2.931 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.942 0.742 -3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.547 2.373 -3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -13.828 -0.818 -3.895 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.019 -1.088 -3.825 1.00 0.00 H new ATOM 679 N ASN A 48 -10.445 5.845 -2.647 1.00 0.00 N ATOM 680 CA ASN A 48 -9.223 6.627 -2.500 1.00 0.00 C ATOM 681 C ASN A 48 -8.118 5.794 -1.857 1.00 0.00 C ATOM 682 O ASN A 48 -8.367 5.027 -0.927 1.00 0.00 O ATOM 683 CB ASN A 48 -9.490 7.877 -1.659 1.00 0.00 C ATOM 684 CG ASN A 48 -8.222 8.446 -1.051 1.00 0.00 C ATOM 685 OD1 ASN A 48 -7.213 8.613 -1.736 1.00 0.00 O ATOM 686 ND2 ASN A 48 -8.270 8.747 0.242 1.00 0.00 N ATOM 0 H ASN A 48 -10.845 5.518 -1.767 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.894 6.930 -3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.964 8.636 -2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.194 7.633 -0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.448 9.134 0.706 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.129 8.592 0.770 1.00 0.00 H new ATOM 693 N TYR A 49 -6.898 5.950 -2.359 1.00 0.00 N ATOM 694 CA TYR A 49 -5.756 5.211 -1.835 1.00 0.00 C ATOM 695 C TYR A 49 -4.759 6.152 -1.165 1.00 0.00 C ATOM 696 O TYR A 49 -4.117 6.967 -1.827 1.00 0.00 O ATOM 697 CB TYR A 49 -5.066 4.434 -2.957 1.00 0.00 C ATOM 698 CG TYR A 49 -6.017 3.618 -3.802 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.340 2.312 -3.455 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.593 4.152 -4.948 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.208 1.561 -4.224 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.464 3.410 -5.723 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.768 2.115 -5.357 1.00 0.00 C ATOM 704 OH TYR A 49 -8.633 1.372 -6.126 1.00 0.00 O ATOM 0 H TYR A 49 -6.675 6.582 -3.128 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.123 4.508 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.533 5.136 -3.599 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.319 3.770 -2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.905 1.876 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.356 5.165 -5.238 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.447 0.547 -3.940 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.904 3.841 -6.610 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.939 1.909 -6.886 1.00 0.00 H new ATOM 714 N GLU A 50 -4.636 6.032 0.153 1.00 0.00 N ATOM 715 CA GLU A 50 -3.718 6.872 0.913 1.00 0.00 C ATOM 716 C GLU A 50 -2.736 6.020 1.713 1.00 0.00 C ATOM 717 O GLU A 50 -3.095 5.436 2.735 1.00 0.00 O ATOM 718 CB GLU A 50 -4.495 7.793 1.856 1.00 0.00 C ATOM 719 CG GLU A 50 -3.606 8.637 2.754 1.00 0.00 C ATOM 720 CD GLU A 50 -4.302 9.886 3.258 1.00 0.00 C ATOM 721 OE1 GLU A 50 -4.580 10.783 2.434 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.569 9.967 4.475 1.00 0.00 O ATOM 0 H GLU A 50 -5.160 5.362 0.716 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.154 7.480 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.130 8.453 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.155 7.189 2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.282 8.038 3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.708 8.922 2.205 1.00 0.00 H new ATOM 729 N TRP A 51 -1.497 5.955 1.238 1.00 0.00 N ATOM 730 CA TRP A 51 -0.463 5.174 1.908 1.00 0.00 C ATOM 731 C TRP A 51 0.258 6.012 2.958 1.00 0.00 C ATOM 732 O TRP A 51 0.395 7.225 2.810 1.00 0.00 O ATOM 733 CB TRP A 51 0.542 4.639 0.887 1.00 0.00 C ATOM 734 CG TRP A 51 -0.065 3.694 -0.105 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.774 4.025 -1.225 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.019 2.263 -0.066 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.171 2.886 -1.884 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.719 1.792 -1.194 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.548 1.334 0.811 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.867 0.435 -1.464 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.400 -0.013 0.541 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.302 -0.452 -0.589 1.00 0.00 C ATOM 0 H TRP A 51 -1.184 6.433 0.393 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.944 4.334 2.409 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.988 5.478 0.353 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.350 4.131 1.414 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.991 5.033 -1.545 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.714 2.859 -2.747 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.092 1.663 1.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.409 0.094 -2.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.833 -0.740 1.213 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.399 -1.512 -0.773 1.00 0.00 H new ATOM 753 N ASN A 52 0.717 5.356 4.019 1.00 0.00 N ATOM 754 CA ASN A 52 1.423 6.042 5.095 1.00 0.00 C ATOM 755 C ASN A 52 2.393 5.097 5.798 1.00 0.00 C ATOM 756 O ASN A 52 2.090 3.922 6.008 1.00 0.00 O ATOM 757 CB ASN A 52 0.427 6.613 6.106 1.00 0.00 C ATOM 758 CG ASN A 52 -0.142 7.948 5.666 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.500 8.988 5.815 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.353 7.925 5.122 1.00 0.00 N ATOM 0 H ASN A 52 0.613 4.351 4.157 1.00 0.00 H new ATOM 0 HA ASN A 52 1.994 6.861 4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.388 5.903 6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.920 6.732 7.071 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.788 8.793 4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.849 7.040 5.018 1.00 0.00 H new ATOM 767 N LEU A 53 3.560 5.618 6.160 1.00 0.00 N ATOM 768 CA LEU A 53 4.575 4.822 6.841 1.00 0.00 C ATOM 769 C LEU A 53 4.358 4.838 8.351 1.00 0.00 C ATOM 770 O LEU A 53 4.208 5.901 8.955 1.00 0.00 O ATOM 771 CB LEU A 53 5.973 5.350 6.509 1.00 0.00 C ATOM 772 CG LEU A 53 7.138 4.419 6.845 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.760 2.971 6.577 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.375 4.805 6.047 1.00 0.00 C ATOM 0 H LEU A 53 3.827 6.588 5.993 1.00 0.00 H new ATOM 0 HA LEU A 53 4.489 3.793 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.011 5.577 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.120 6.290 7.040 1.00 0.00 H new ATOM 0 HG LEU A 53 7.366 4.522 7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.602 2.324 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.902 2.699 7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.504 2.851 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.195 4.132 6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.158 4.731 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.659 5.829 6.289 1.00 0.00 H new ATOM 786 N ILE A 54 4.346 3.654 8.954 1.00 0.00 N ATOM 787 CA ILE A 54 4.151 3.533 10.393 1.00 0.00 C ATOM 788 C ILE A 54 5.324 2.813 11.048 1.00 0.00 C ATOM 789 O ILE A 54 5.803 3.219 12.107 1.00 0.00 O ATOM 790 CB ILE A 54 2.850 2.777 10.724 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.745 1.505 9.879 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.643 3.674 10.492 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.366 0.884 9.891 1.00 0.00 C ATOM 0 H ILE A 54 4.469 2.765 8.468 1.00 0.00 H new ATOM 0 HA ILE A 54 4.083 4.547 10.788 1.00 0.00 H new ATOM 0 HB ILE A 54 2.870 2.492 11.776 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.021 1.738 8.851 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.467 0.775 10.245 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.731 3.126 10.730 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.715 4.554 11.132 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.617 3.986 9.448 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.365 -0.013 9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.095 0.619 10.913 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.642 1.597 9.497 1.00 0.00 H new ATOM 805 N SER A 55 5.785 1.742 10.410 1.00 0.00 N ATOM 806 CA SER A 55 6.902 0.963 10.932 1.00 0.00 C ATOM 807 C SER A 55 8.142 1.142 10.062 1.00 0.00 C ATOM 808 O SER A 55 8.222 0.608 8.955 1.00 0.00 O ATOM 809 CB SER A 55 6.528 -0.519 11.006 1.00 0.00 C ATOM 810 OG SER A 55 7.576 -1.282 11.577 1.00 0.00 O ATOM 0 H SER A 55 5.402 1.394 9.531 1.00 0.00 H new ATOM 0 HA SER A 55 7.127 1.324 11.935 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.622 -0.639 11.599 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.306 -0.892 10.006 1.00 0.00 H new ATOM 0 HG SER A 55 7.311 -2.225 11.614 1.00 0.00 H new ATOM 816 N HIS A 56 9.110 1.899 10.570 1.00 0.00 N ATOM 817 CA HIS A 56 10.348 2.150 9.841 1.00 0.00 C ATOM 818 C HIS A 56 11.476 2.523 10.798 1.00 0.00 C ATOM 819 O HIS A 56 11.259 3.137 11.843 1.00 0.00 O ATOM 820 CB HIS A 56 10.143 3.264 8.815 1.00 0.00 C ATOM 821 CG HIS A 56 9.744 4.573 9.424 1.00 0.00 C ATOM 822 ND1 HIS A 56 10.611 5.637 9.559 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.561 4.987 9.935 1.00 0.00 C ATOM 824 CE1 HIS A 56 9.979 6.648 10.127 1.00 0.00 C ATOM 825 NE2 HIS A 56 8.733 6.280 10.366 1.00 0.00 N ATOM 0 H HIS A 56 9.061 2.349 11.484 1.00 0.00 H new ATOM 0 HA HIS A 56 10.626 1.234 9.320 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.065 3.401 8.251 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.377 2.955 8.104 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.651 4.408 9.993 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.408 7.612 10.357 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.016 6.861 10.800 1.00 0.00 H new ATOM 834 N PRO A 57 12.710 2.145 10.435 1.00 0.00 N ATOM 835 CA PRO A 57 13.897 2.429 11.247 1.00 0.00 C ATOM 836 C PRO A 57 14.249 3.913 11.259 1.00 0.00 C ATOM 837 O PRO A 57 14.123 4.600 10.245 1.00 0.00 O ATOM 838 CB PRO A 57 15.001 1.623 10.558 1.00 0.00 C ATOM 839 CG PRO A 57 14.544 1.485 9.147 1.00 0.00 C ATOM 840 CD PRO A 57 13.043 1.410 9.203 1.00 0.00 C ATOM 0 HA PRO A 57 13.748 2.164 12.294 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.961 2.137 10.615 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.133 0.649 11.029 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.870 2.334 8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.963 0.590 8.687 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.585 1.867 8.326 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.694 0.378 9.244 1.00 0.00 H new ATOM 848 N THR A 58 14.693 4.402 12.413 1.00 0.00 N ATOM 849 CA THR A 58 15.063 5.804 12.557 1.00 0.00 C ATOM 850 C THR A 58 16.160 6.187 11.570 1.00 0.00 C ATOM 851 O THR A 58 16.284 7.350 11.187 1.00 0.00 O ATOM 852 CB THR A 58 15.544 6.114 13.987 1.00 0.00 C ATOM 853 OG1 THR A 58 15.318 7.495 14.291 1.00 0.00 O ATOM 854 CG2 THR A 58 17.022 5.790 14.143 1.00 0.00 C ATOM 0 H THR A 58 14.805 3.847 13.262 1.00 0.00 H new ATOM 0 HA THR A 58 14.168 6.390 12.347 1.00 0.00 H new ATOM 0 HB THR A 58 14.977 5.492 14.680 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.625 7.684 15.202 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.339 6.017 15.161 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.186 4.732 13.939 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.602 6.389 13.440 1.00 0.00 H new ATOM 862 N ASP A 59 16.952 5.202 11.162 1.00 0.00 N ATOM 863 CA ASP A 59 18.039 5.436 10.218 1.00 0.00 C ATOM 864 C ASP A 59 17.494 5.851 8.855 1.00 0.00 C ATOM 865 O ASP A 59 18.123 6.624 8.132 1.00 0.00 O ATOM 866 CB ASP A 59 18.899 4.180 10.076 1.00 0.00 C ATOM 867 CG ASP A 59 19.642 4.133 8.755 1.00 0.00 C ATOM 868 OD1 ASP A 59 19.019 3.765 7.736 1.00 0.00 O ATOM 869 OD2 ASP A 59 20.845 4.465 8.739 1.00 0.00 O ATOM 0 H ASP A 59 16.862 4.234 11.470 1.00 0.00 H new ATOM 0 HA ASP A 59 18.656 6.247 10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.617 4.140 10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.265 3.297 10.165 1.00 0.00 H new ATOM 874 N TYR A 60 16.321 5.332 8.509 1.00 0.00 N ATOM 875 CA TYR A 60 15.693 5.646 7.231 1.00 0.00 C ATOM 876 C TYR A 60 15.554 7.154 7.048 1.00 0.00 C ATOM 877 O TYR A 60 15.365 7.892 8.014 1.00 0.00 O ATOM 878 CB TYR A 60 14.318 4.981 7.138 1.00 0.00 C ATOM 879 CG TYR A 60 13.626 5.204 5.813 1.00 0.00 C ATOM 880 CD1 TYR A 60 14.263 4.902 4.615 1.00 0.00 C ATOM 881 CD2 TYR A 60 12.336 5.718 5.757 1.00 0.00 C ATOM 882 CE1 TYR A 60 13.635 5.104 3.401 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.700 5.922 4.548 1.00 0.00 C ATOM 884 CZ TYR A 60 12.354 5.614 3.373 1.00 0.00 C ATOM 885 OH TYR A 60 11.724 5.818 2.166 1.00 0.00 O ATOM 0 H TYR A 60 15.786 4.692 9.096 1.00 0.00 H new ATOM 0 HA TYR A 60 16.331 5.259 6.437 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.430 3.910 7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.684 5.363 7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.266 4.503 4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.822 5.962 6.675 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.144 4.864 2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.696 6.320 4.523 1.00 0.00 H new ATOM 0 HH TYR A 60 10.827 6.181 2.322 1.00 0.00 H new ATOM 895 N GLN A 61 15.650 7.603 5.801 1.00 0.00 N ATOM 896 CA GLN A 61 15.536 9.023 5.490 1.00 0.00 C ATOM 897 C GLN A 61 14.576 9.250 4.326 1.00 0.00 C ATOM 898 O GLN A 61 13.890 10.269 4.264 1.00 0.00 O ATOM 899 CB GLN A 61 16.910 9.605 5.153 1.00 0.00 C ATOM 900 CG GLN A 61 17.897 9.539 6.307 1.00 0.00 C ATOM 901 CD GLN A 61 19.257 10.103 5.944 1.00 0.00 C ATOM 902 OE1 GLN A 61 19.455 10.618 4.844 1.00 0.00 O ATOM 903 NE2 GLN A 61 20.204 10.008 6.871 1.00 0.00 N ATOM 0 H GLN A 61 15.806 7.005 4.990 1.00 0.00 H new ATOM 0 HA GLN A 61 15.140 9.531 6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.324 9.067 4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.790 10.644 4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.494 10.090 7.157 1.00 0.00 H new ATOM 0 HG3 GLN A 61 18.011 8.502 6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.996 9.573 7.770 1.00 0.00 H new ATOM 0 HE22 GLN A 61 21.139 10.370 6.684 1.00 0.00 H new ATOM 912 N GLY A 62 14.533 8.292 3.405 1.00 0.00 N ATOM 913 CA GLY A 62 13.655 8.407 2.256 1.00 0.00 C ATOM 914 C GLY A 62 12.287 8.948 2.623 1.00 0.00 C ATOM 915 O GLY A 62 11.907 8.947 3.793 1.00 0.00 O ATOM 0 H GLY A 62 15.091 7.438 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.115 9.062 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.542 7.428 1.790 1.00 0.00 H new ATOM 919 N GLU A 63 11.547 9.412 1.621 1.00 0.00 N ATOM 920 CA GLU A 63 10.215 9.961 1.847 1.00 0.00 C ATOM 921 C GLU A 63 9.212 9.379 0.855 1.00 0.00 C ATOM 922 O GLU A 63 9.460 9.352 -0.351 1.00 0.00 O ATOM 923 CB GLU A 63 10.241 11.486 1.727 1.00 0.00 C ATOM 924 CG GLU A 63 10.805 11.984 0.408 1.00 0.00 C ATOM 925 CD GLU A 63 12.310 12.167 0.449 1.00 0.00 C ATOM 926 OE1 GLU A 63 12.771 13.144 1.077 1.00 0.00 O ATOM 927 OE2 GLU A 63 13.026 11.336 -0.147 1.00 0.00 O ATOM 0 H GLU A 63 11.847 9.419 0.646 1.00 0.00 H new ATOM 0 HA GLU A 63 9.903 9.688 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.227 11.869 1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.835 11.896 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.550 11.277 -0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.334 12.933 0.151 1.00 0.00 H new ATOM 934 N ILE A 64 8.080 8.914 1.372 1.00 0.00 N ATOM 935 CA ILE A 64 7.039 8.333 0.532 1.00 0.00 C ATOM 936 C ILE A 64 5.981 9.370 0.172 1.00 0.00 C ATOM 937 O ILE A 64 5.749 10.322 0.918 1.00 0.00 O ATOM 938 CB ILE A 64 6.357 7.139 1.226 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.398 6.268 1.931 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.569 6.319 0.216 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.811 5.362 2.991 1.00 0.00 C ATOM 0 H ILE A 64 7.860 8.928 2.368 1.00 0.00 H new ATOM 0 HA ILE A 64 7.526 7.984 -0.378 1.00 0.00 H new ATOM 0 HB ILE A 64 5.663 7.521 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.913 5.659 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.148 6.912 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.093 5.479 0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.805 6.945 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.243 5.944 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.607 4.774 3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.321 5.966 3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.082 4.693 2.534 1.00 0.00 H new ATOM 953 N LYS A 65 5.339 9.178 -0.975 1.00 0.00 N ATOM 954 CA LYS A 65 4.302 10.095 -1.435 1.00 0.00 C ATOM 955 C LYS A 65 2.916 9.579 -1.061 1.00 0.00 C ATOM 956 O LYS A 65 1.921 9.930 -1.696 1.00 0.00 O ATOM 957 CB LYS A 65 4.395 10.285 -2.950 1.00 0.00 C ATOM 958 CG LYS A 65 5.708 10.898 -3.407 1.00 0.00 C ATOM 959 CD LYS A 65 5.590 11.496 -4.798 1.00 0.00 C ATOM 960 CE LYS A 65 6.768 12.404 -5.117 1.00 0.00 C ATOM 961 NZ LYS A 65 6.685 13.698 -4.384 1.00 0.00 N ATOM 0 H LYS A 65 5.518 8.395 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 65 4.458 11.056 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.266 9.319 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.573 10.921 -3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.014 11.671 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.487 10.136 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.536 10.695 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.662 12.062 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.698 11.898 -4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.799 12.595 -6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.394 14.358 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.735 14.104 -4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.868 13.537 -3.373 1.00 0.00 H new ATOM 975 N GLN A 66 2.858 8.745 -0.027 1.00 0.00 N ATOM 976 CA GLN A 66 1.593 8.183 0.431 1.00 0.00 C ATOM 977 C GLN A 66 0.808 7.589 -0.734 1.00 0.00 C ATOM 978 O GLN A 66 -0.421 7.550 -0.712 1.00 0.00 O ATOM 979 CB GLN A 66 0.757 9.256 1.130 1.00 0.00 C ATOM 980 CG GLN A 66 1.338 9.710 2.459 1.00 0.00 C ATOM 981 CD GLN A 66 2.283 10.887 2.311 1.00 0.00 C ATOM 982 OE1 GLN A 66 1.981 11.856 1.613 1.00 0.00 O ATOM 983 NE2 GLN A 66 3.434 10.809 2.968 1.00 0.00 N ATOM 0 H GLN A 66 3.672 8.444 0.509 1.00 0.00 H new ATOM 0 HA GLN A 66 1.814 7.386 1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.663 10.119 0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.249 8.870 1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.525 9.984 3.132 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.869 8.878 2.922 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.643 9.987 3.535 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.109 11.571 2.906 1.00 0.00 H new ATOM 992 N GLY A 67 1.528 7.127 -1.752 1.00 0.00 N ATOM 993 CA GLY A 67 0.883 6.541 -2.912 1.00 0.00 C ATOM 994 C GLY A 67 -0.449 7.193 -3.225 1.00 0.00 C ATOM 995 O GLY A 67 -1.507 6.623 -2.955 1.00 0.00 O ATOM 0 H GLY A 67 2.547 7.148 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.541 6.634 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.731 5.475 -2.740 1.00 0.00 H new ATOM 999 N HIS A 68 -0.400 8.393 -3.796 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.612 9.124 -4.145 1.00 0.00 C ATOM 1001 C HIS A 68 -2.505 8.292 -5.060 1.00 0.00 C ATOM 1002 O HIS A 68 -3.671 8.622 -5.276 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.258 10.447 -4.824 1.00 0.00 C ATOM 1004 CG HIS A 68 -0.257 11.262 -4.063 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -0.461 11.687 -2.768 1.00 0.00 N ATOM 1006 CD2 HIS A 68 0.962 11.728 -4.423 1.00 0.00 C ATOM 1007 CE1 HIS A 68 0.588 12.380 -2.364 1.00 0.00 C ATOM 1008 NE2 HIS A 68 1.466 12.420 -3.349 1.00 0.00 N ATOM 0 H HIS A 68 0.467 8.879 -4.027 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.158 9.331 -3.225 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.865 10.241 -5.820 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.167 11.033 -4.955 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.448 11.583 -5.377 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.707 12.837 -1.393 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.371 12.889 -3.318 1.00 0.00 H new ATOM 1017 N LYS A 69 -1.948 7.211 -5.597 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.692 6.330 -6.490 1.00 0.00 C ATOM 1019 C LYS A 69 -2.908 4.963 -5.849 1.00 0.00 C ATOM 1020 O LYS A 69 -2.559 4.750 -4.688 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.950 6.171 -7.819 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.052 7.389 -8.721 1.00 0.00 C ATOM 1023 CD LYS A 69 -1.251 8.558 -8.173 1.00 0.00 C ATOM 1024 CE LYS A 69 -1.251 9.734 -9.137 1.00 0.00 C ATOM 1025 NZ LYS A 69 -2.567 10.431 -9.164 1.00 0.00 N ATOM 0 H LYS A 69 -0.984 6.924 -5.429 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.666 6.782 -6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.899 5.966 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.348 5.304 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.692 7.136 -9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.097 7.680 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.669 8.870 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.225 8.241 -7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.472 10.440 -8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.006 9.382 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.525 11.226 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.307 9.764 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.789 10.790 -8.214 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.483 4.040 -6.613 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.743 2.693 -6.119 1.00 0.00 C ATOM 1041 C GLN A 70 -2.443 1.914 -5.953 1.00 0.00 C ATOM 1042 O GLN A 70 -2.401 0.895 -5.261 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.679 1.949 -7.074 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.995 0.529 -6.632 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.797 -0.238 -7.664 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -6.443 0.353 -8.530 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.760 -1.563 -7.578 1.00 0.00 N ATOM 0 H GLN A 70 -3.778 4.200 -7.576 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.222 2.777 -5.143 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.610 2.508 -7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.226 1.920 -8.065 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.064 -0.001 -6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.551 0.559 -5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.211 -2.011 -6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.280 -2.132 -8.246 1.00 0.00 H new ATOM 1056 N THR A 71 -1.382 2.398 -6.591 1.00 0.00 N ATOM 1057 CA THR A 71 -0.081 1.747 -6.515 1.00 0.00 C ATOM 1058 C THR A 71 0.965 2.676 -5.911 1.00 0.00 C ATOM 1059 O THR A 71 0.952 3.884 -6.154 1.00 0.00 O ATOM 1060 CB THR A 71 0.399 1.286 -7.904 1.00 0.00 C ATOM 1061 OG1 THR A 71 -0.063 2.196 -8.908 1.00 0.00 O ATOM 1062 CG2 THR A 71 -0.103 -0.116 -8.213 1.00 0.00 C ATOM 0 H THR A 71 -1.399 3.240 -7.167 1.00 0.00 H new ATOM 0 HA THR A 71 -0.202 0.875 -5.873 1.00 0.00 H new ATOM 0 HB THR A 71 1.489 1.271 -7.901 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.248 1.897 -9.788 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.249 -0.419 -9.199 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.275 -0.811 -7.463 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.193 -0.124 -8.199 1.00 0.00 H new ATOM 1070 N LEU A 72 1.871 2.108 -5.122 1.00 0.00 N ATOM 1071 CA LEU A 72 2.926 2.887 -4.484 1.00 0.00 C ATOM 1072 C LEU A 72 4.304 2.375 -4.892 1.00 0.00 C ATOM 1073 O LEU A 72 4.588 1.182 -4.794 1.00 0.00 O ATOM 1074 CB LEU A 72 2.779 2.830 -2.962 1.00 0.00 C ATOM 1075 CG LEU A 72 3.894 3.495 -2.155 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.762 5.010 -2.209 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.872 3.008 -0.713 1.00 0.00 C ATOM 0 H LEU A 72 1.896 1.111 -4.909 1.00 0.00 H new ATOM 0 HA LEU A 72 2.830 3.921 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.833 3.298 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.715 1.784 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 72 4.851 3.218 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.564 5.466 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.828 5.344 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.799 5.306 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.673 3.492 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.912 3.255 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.016 1.928 -0.692 1.00 0.00 H new ATOM 1089 N ASN A 73 5.157 3.286 -5.348 1.00 0.00 N ATOM 1090 CA ASN A 73 6.506 2.927 -5.769 1.00 0.00 C ATOM 1091 C ASN A 73 7.548 3.542 -4.840 1.00 0.00 C ATOM 1092 O ASN A 73 7.570 4.756 -4.630 1.00 0.00 O ATOM 1093 CB ASN A 73 6.753 3.388 -7.207 1.00 0.00 C ATOM 1094 CG ASN A 73 6.407 2.318 -8.225 1.00 0.00 C ATOM 1095 OD1 ASN A 73 7.244 1.923 -9.037 1.00 0.00 O ATOM 1096 ND2 ASN A 73 5.167 1.844 -8.186 1.00 0.00 N ATOM 0 H ASN A 73 4.938 4.278 -5.435 1.00 0.00 H new ATOM 0 HA ASN A 73 6.598 1.842 -5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.160 4.281 -7.406 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.800 3.669 -7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.876 1.123 -8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.506 2.201 -7.496 1.00 0.00 H new ATOM 1103 N LEU A 74 8.411 2.698 -4.286 1.00 0.00 N ATOM 1104 CA LEU A 74 9.457 3.157 -3.379 1.00 0.00 C ATOM 1105 C LEU A 74 10.770 3.368 -4.126 1.00 0.00 C ATOM 1106 O LEU A 74 11.043 2.700 -5.123 1.00 0.00 O ATOM 1107 CB LEU A 74 9.657 2.149 -2.247 1.00 0.00 C ATOM 1108 CG LEU A 74 8.810 2.371 -0.993 1.00 0.00 C ATOM 1109 CD1 LEU A 74 9.082 3.746 -0.402 1.00 0.00 C ATOM 1110 CD2 LEU A 74 7.331 2.209 -1.312 1.00 0.00 C ATOM 0 H LEU A 74 8.407 1.691 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 74 9.144 4.111 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.444 1.152 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.708 2.161 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 74 9.086 1.619 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.471 3.886 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.136 3.825 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.835 4.513 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.744 2.371 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.040 2.938 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.148 1.203 -1.688 1.00 0.00 H new ATOM 1122 N SER A 75 11.581 4.300 -3.634 1.00 0.00 N ATOM 1123 CA SER A 75 12.866 4.600 -4.255 1.00 0.00 C ATOM 1124 C SER A 75 13.893 5.014 -3.206 1.00 0.00 C ATOM 1125 O SER A 75 13.536 5.468 -2.119 1.00 0.00 O ATOM 1126 CB SER A 75 12.706 5.711 -5.295 1.00 0.00 C ATOM 1127 OG SER A 75 12.744 6.990 -4.686 1.00 0.00 O ATOM 0 H SER A 75 11.371 4.860 -2.808 1.00 0.00 H new ATOM 0 HA SER A 75 13.222 3.697 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.500 5.635 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.761 5.585 -5.824 1.00 0.00 H new ATOM 0 HG SER A 75 12.641 7.682 -5.372 1.00 0.00 H new ATOM 1133 N GLN A 76 15.169 4.854 -3.541 1.00 0.00 N ATOM 1134 CA GLN A 76 16.249 5.210 -2.628 1.00 0.00 C ATOM 1135 C GLN A 76 16.094 4.488 -1.293 1.00 0.00 C ATOM 1136 O GLN A 76 16.554 4.969 -0.257 1.00 0.00 O ATOM 1137 CB GLN A 76 16.276 6.723 -2.402 1.00 0.00 C ATOM 1138 CG GLN A 76 16.893 7.499 -3.554 1.00 0.00 C ATOM 1139 CD GLN A 76 17.199 8.938 -3.191 1.00 0.00 C ATOM 1140 OE1 GLN A 76 17.189 9.310 -2.017 1.00 0.00 O ATOM 1141 NE2 GLN A 76 17.474 9.758 -4.198 1.00 0.00 N ATOM 0 H GLN A 76 15.480 4.480 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 76 17.191 4.900 -3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.257 7.076 -2.241 1.00 0.00 H new ATOM 0 HB3 GLN A 76 16.835 6.936 -1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.812 7.005 -3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.213 7.480 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 76 17.471 9.408 -5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 76 17.688 10.738 -4.014 1.00 0.00 H new ATOM 1150 N LEU A 77 15.442 3.330 -1.325 1.00 0.00 N ATOM 1151 CA LEU A 77 15.226 2.541 -0.118 1.00 0.00 C ATOM 1152 C LEU A 77 16.549 2.031 0.444 1.00 0.00 C ATOM 1153 O LEU A 77 17.565 2.015 -0.251 1.00 0.00 O ATOM 1154 CB LEU A 77 14.297 1.362 -0.415 1.00 0.00 C ATOM 1155 CG LEU A 77 12.804 1.685 -0.484 1.00 0.00 C ATOM 1156 CD1 LEU A 77 12.011 0.458 -0.906 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.309 2.207 0.857 1.00 0.00 C ATOM 0 H LEU A 77 15.054 2.918 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 77 14.760 3.185 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.597 0.919 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.449 0.603 0.352 1.00 0.00 H new ATOM 0 HG LEU A 77 12.655 2.463 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.951 0.707 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.347 0.128 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.166 -0.342 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.245 2.432 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.472 1.451 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.855 3.113 1.119 1.00 0.00 H new ATOM 1169 N SER A 78 16.529 1.612 1.705 1.00 0.00 N ATOM 1170 CA SER A 78 17.727 1.102 2.361 1.00 0.00 C ATOM 1171 C SER A 78 17.407 -0.139 3.189 1.00 0.00 C ATOM 1172 O SER A 78 16.266 -0.348 3.599 1.00 0.00 O ATOM 1173 CB SER A 78 18.343 2.181 3.254 1.00 0.00 C ATOM 1174 OG SER A 78 17.381 2.712 4.149 1.00 0.00 O ATOM 0 H SER A 78 15.696 1.616 2.293 1.00 0.00 H new ATOM 0 HA SER A 78 18.445 0.826 1.589 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.175 1.760 3.818 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.750 2.981 2.635 1.00 0.00 H new ATOM 0 HG SER A 78 16.623 2.095 4.218 1.00 0.00 H new ATOM 1180 N VAL A 79 18.425 -0.959 3.431 1.00 0.00 N ATOM 1181 CA VAL A 79 18.254 -2.179 4.210 1.00 0.00 C ATOM 1182 C VAL A 79 17.512 -1.900 5.513 1.00 0.00 C ATOM 1183 O VAL A 79 18.056 -1.287 6.430 1.00 0.00 O ATOM 1184 CB VAL A 79 19.611 -2.832 4.535 1.00 0.00 C ATOM 1185 CG1 VAL A 79 20.645 -1.771 4.880 1.00 0.00 C ATOM 1186 CG2 VAL A 79 19.462 -3.832 5.672 1.00 0.00 C ATOM 0 H VAL A 79 19.376 -0.800 3.099 1.00 0.00 H new ATOM 0 HA VAL A 79 17.666 -2.864 3.600 1.00 0.00 H new ATOM 0 HB VAL A 79 19.957 -3.369 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 79 21.597 -2.251 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 79 20.771 -1.097 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 79 20.309 -1.204 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 79 20.430 -4.284 5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.094 -3.320 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 79 18.755 -4.610 5.382 1.00 0.00 H new ATOM 1196 N GLY A 80 16.265 -2.355 5.586 1.00 0.00 N ATOM 1197 CA GLY A 80 15.468 -2.145 6.781 1.00 0.00 C ATOM 1198 C GLY A 80 14.027 -2.581 6.600 1.00 0.00 C ATOM 1199 O GLY A 80 13.639 -3.037 5.524 1.00 0.00 O ATOM 0 H GLY A 80 15.793 -2.865 4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.910 -2.697 7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.494 -1.089 7.051 1.00 0.00 H new ATOM 1203 N LEU A 81 13.233 -2.443 7.656 1.00 0.00 N ATOM 1204 CA LEU A 81 11.826 -2.827 7.610 1.00 0.00 C ATOM 1205 C LEU A 81 10.936 -1.609 7.383 1.00 0.00 C ATOM 1206 O LEU A 81 11.113 -0.571 8.022 1.00 0.00 O ATOM 1207 CB LEU A 81 11.427 -3.531 8.908 1.00 0.00 C ATOM 1208 CG LEU A 81 9.979 -4.016 8.991 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.721 -5.103 7.960 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.665 -4.521 10.392 1.00 0.00 C ATOM 0 H LEU A 81 13.539 -2.068 8.554 1.00 0.00 H new ATOM 0 HA LEU A 81 11.689 -3.514 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.085 -4.388 9.050 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.609 -2.849 9.738 1.00 0.00 H new ATOM 0 HG LEU A 81 9.321 -3.175 8.774 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.686 -5.436 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.905 -4.708 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.387 -5.946 8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.631 -4.862 10.432 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.330 -5.349 10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.809 -3.714 11.110 1.00 0.00 H new ATOM 1222 N TYR A 82 9.979 -1.744 6.473 1.00 0.00 N ATOM 1223 CA TYR A 82 9.060 -0.655 6.162 1.00 0.00 C ATOM 1224 C TYR A 82 7.646 -1.181 5.941 1.00 0.00 C ATOM 1225 O TYR A 82 7.389 -1.932 5.000 1.00 0.00 O ATOM 1226 CB TYR A 82 9.535 0.101 4.919 1.00 0.00 C ATOM 1227 CG TYR A 82 10.995 0.491 4.969 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.413 1.604 5.689 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.956 -0.253 4.296 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.745 1.965 5.736 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.291 0.100 4.339 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.681 1.209 5.060 1.00 0.00 C ATOM 1233 OH TYR A 82 15.009 1.565 5.106 1.00 0.00 O ATOM 0 H TYR A 82 9.819 -2.597 5.937 1.00 0.00 H new ATOM 0 HA TYR A 82 9.045 0.028 7.012 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.363 -0.519 4.039 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.931 1.000 4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.683 2.197 6.221 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.654 -1.122 3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.053 2.834 6.299 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.026 -0.490 3.811 1.00 0.00 H new ATOM 0 HH TYR A 82 15.562 0.797 4.851 1.00 0.00 H new ATOM 1243 N VAL A 83 6.729 -0.781 6.817 1.00 0.00 N ATOM 1244 CA VAL A 83 5.339 -1.209 6.719 1.00 0.00 C ATOM 1245 C VAL A 83 4.444 -0.069 6.248 1.00 0.00 C ATOM 1246 O VAL A 83 4.174 0.872 6.995 1.00 0.00 O ATOM 1247 CB VAL A 83 4.816 -1.733 8.070 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.415 -2.303 7.915 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.765 -2.776 8.640 1.00 0.00 C ATOM 0 H VAL A 83 6.924 -0.161 7.603 1.00 0.00 H new ATOM 0 HA VAL A 83 5.308 -2.017 5.988 1.00 0.00 H new ATOM 0 HB VAL A 83 4.767 -0.899 8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.062 -2.668 8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.743 -1.524 7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.434 -3.126 7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.380 -3.135 9.594 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.848 -3.611 7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.748 -2.330 8.790 1.00 0.00 H new ATOM 1259 N PHE A 84 3.987 -0.158 5.003 1.00 0.00 N ATOM 1260 CA PHE A 84 3.122 0.867 4.431 1.00 0.00 C ATOM 1261 C PHE A 84 1.653 0.478 4.568 1.00 0.00 C ATOM 1262 O PHE A 84 1.238 -0.592 4.122 1.00 0.00 O ATOM 1263 CB PHE A 84 3.467 1.091 2.957 1.00 0.00 C ATOM 1264 CG PHE A 84 4.937 0.998 2.665 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.814 1.957 3.144 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.442 -0.049 1.911 1.00 0.00 C ATOM 1267 CE1 PHE A 84 7.168 1.874 2.876 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.795 -0.138 1.639 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.659 0.825 2.124 1.00 0.00 C ATOM 0 H PHE A 84 4.201 -0.929 4.371 1.00 0.00 H new ATOM 0 HA PHE A 84 3.287 1.794 4.980 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.937 0.355 2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.106 2.073 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.436 2.779 3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.771 -0.805 1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.841 2.629 3.255 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.175 -0.958 1.049 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.716 0.757 1.915 1.00 0.00 H new ATOM 1279 N LYS A 85 0.870 1.354 5.188 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.553 1.105 5.384 1.00 0.00 C ATOM 1281 C LYS A 85 -1.390 1.942 4.422 1.00 0.00 C ATOM 1282 O LYS A 85 -1.314 3.171 4.426 1.00 0.00 O ATOM 1283 CB LYS A 85 -0.952 1.417 6.828 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.448 1.595 7.021 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.780 2.024 8.441 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.472 3.496 8.664 1.00 0.00 C ATOM 1287 NZ LYS A 85 -1.059 3.710 9.083 1.00 0.00 N ATOM 0 H LYS A 85 1.197 2.244 5.564 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.743 0.051 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.604 0.611 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.442 2.325 7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.820 2.340 6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.959 0.659 6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.835 1.837 8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.210 1.421 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.667 4.051 7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.141 3.896 9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.013 4.502 9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.697 2.847 9.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.479 3.931 8.248 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.189 1.270 3.601 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.042 1.952 2.635 1.00 0.00 C ATOM 1303 C VAL A 86 -4.479 2.041 3.137 1.00 0.00 C ATOM 1304 O VAL A 86 -5.207 1.048 3.149 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.030 1.237 1.271 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.300 -0.249 1.445 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.048 1.866 0.331 1.00 0.00 C ATOM 0 H VAL A 86 -2.264 0.253 3.585 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.640 2.958 2.513 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.041 1.353 0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.288 -0.738 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.530 -0.687 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.276 -0.390 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.026 1.349 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.044 1.783 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.804 2.918 0.181 1.00 0.00 H new ATOM 1317 N THR A 87 -4.882 3.238 3.553 1.00 0.00 N ATOM 1318 CA THR A 87 -6.232 3.457 4.057 1.00 0.00 C ATOM 1319 C THR A 87 -7.159 3.947 2.951 1.00 0.00 C ATOM 1320 O THR A 87 -7.006 5.059 2.446 1.00 0.00 O ATOM 1321 CB THR A 87 -6.242 4.478 5.211 1.00 0.00 C ATOM 1322 OG1 THR A 87 -5.064 4.324 6.011 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.478 4.301 6.079 1.00 0.00 C ATOM 0 H THR A 87 -4.292 4.070 3.551 1.00 0.00 H new ATOM 0 HA THR A 87 -6.591 2.497 4.428 1.00 0.00 H new ATOM 0 HB THR A 87 -6.260 5.480 4.781 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.077 4.977 6.741 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.463 5.033 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.372 4.448 5.473 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.486 3.296 6.500 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.123 3.111 2.579 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.077 3.461 1.534 1.00 0.00 C ATOM 1333 C VAL A 88 -10.509 3.403 2.055 1.00 0.00 C ATOM 1334 O VAL A 88 -11.058 2.324 2.274 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.947 2.523 0.319 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.020 2.835 -0.714 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.559 2.635 -0.293 1.00 0.00 C ATOM 0 H VAL A 88 -8.264 2.186 2.986 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.847 4.480 1.224 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.089 1.497 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.912 2.162 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.005 2.700 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.912 3.866 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.484 1.966 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.386 3.661 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.811 2.358 0.450 1.00 0.00 H new ATOM 1347 N SER A 89 -11.109 4.573 2.250 1.00 0.00 N ATOM 1348 CA SER A 89 -12.477 4.657 2.749 1.00 0.00 C ATOM 1349 C SER A 89 -13.306 5.616 1.901 1.00 0.00 C ATOM 1350 O SER A 89 -12.791 6.603 1.377 1.00 0.00 O ATOM 1351 CB SER A 89 -12.483 5.113 4.209 1.00 0.00 C ATOM 1352 OG SER A 89 -12.203 6.499 4.312 1.00 0.00 O ATOM 0 H SER A 89 -10.670 5.476 2.070 1.00 0.00 H new ATOM 0 HA SER A 89 -12.923 3.664 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.455 4.901 4.655 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.742 4.546 4.773 1.00 0.00 H new ATOM 0 HG SER A 89 -12.214 6.766 5.255 1.00 0.00 H new ATOM 1358 N SER A 90 -14.595 5.318 1.771 1.00 0.00 N ATOM 1359 CA SER A 90 -15.497 6.150 0.984 1.00 0.00 C ATOM 1360 C SER A 90 -16.575 6.770 1.868 1.00 0.00 C ATOM 1361 O SER A 90 -16.560 6.609 3.088 1.00 0.00 O ATOM 1362 CB SER A 90 -16.146 5.326 -0.129 1.00 0.00 C ATOM 1363 OG SER A 90 -15.354 5.341 -1.304 1.00 0.00 O ATOM 0 H SER A 90 -15.038 4.506 2.201 1.00 0.00 H new ATOM 0 HA SER A 90 -14.912 6.953 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.283 4.298 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.137 5.724 -0.350 1.00 0.00 H new ATOM 0 HG SER A 90 -15.933 5.253 -2.090 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.509 7.479 1.242 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.594 8.124 1.972 1.00 0.00 C ATOM 1371 C GLU A 91 -19.329 7.119 2.854 1.00 0.00 C ATOM 1372 O GLU A 91 -19.537 7.356 4.043 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.577 8.777 0.997 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.164 7.809 -0.015 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.952 8.511 -1.105 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -20.446 9.516 -1.648 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -22.073 8.056 -1.414 1.00 0.00 O ATOM 0 H GLU A 91 -17.536 7.621 0.232 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.161 8.894 2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.389 9.233 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.068 9.581 0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.359 7.231 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.814 7.101 0.499 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.721 5.996 2.262 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.434 4.954 2.993 1.00 0.00 C ATOM 1386 C ASN A 92 -19.666 3.637 2.950 1.00 0.00 C ATOM 1387 O ASN A 92 -20.260 2.563 2.863 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.835 4.760 2.408 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.836 4.781 0.892 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -21.157 3.981 0.248 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -22.602 5.699 0.314 1.00 0.00 N ATOM 0 H ASN A 92 -19.557 5.784 1.278 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.522 5.269 4.033 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.243 3.811 2.756 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.493 5.545 2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.644 5.761 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -23.148 6.342 0.887 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.341 3.728 3.013 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.492 2.544 2.985 1.00 0.00 C ATOM 1400 C ALA A 93 -16.161 2.806 3.682 1.00 0.00 C ATOM 1401 O ALA A 93 -15.776 3.957 3.894 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.259 2.096 1.550 1.00 0.00 C ATOM 0 H ALA A 93 -17.833 4.610 3.084 1.00 0.00 H new ATOM 0 HA ALA A 93 -18.004 1.747 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.623 1.211 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.215 1.859 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.772 2.897 0.994 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.462 1.733 4.036 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.174 1.848 4.711 1.00 0.00 C ATOM 1410 C PHE A 94 -13.364 0.564 4.558 1.00 0.00 C ATOM 1411 O PHE A 94 -13.851 -0.529 4.845 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.378 2.161 6.195 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.195 1.810 7.050 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.905 2.010 6.587 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -13.373 1.278 8.317 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.813 1.688 7.371 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -12.285 0.954 9.106 1.00 0.00 C ATOM 1418 CZ PHE A 94 -11.004 1.158 8.632 1.00 0.00 C ATOM 0 H PHE A 94 -15.765 0.774 3.867 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.620 2.664 4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.595 3.223 6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.251 1.617 6.556 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.750 2.423 5.601 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.372 1.115 8.692 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.812 1.851 6.998 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.437 0.542 10.093 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.153 0.904 9.246 1.00 0.00 H new ATOM 1428 N GLY A 95 -12.123 0.706 4.102 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.264 -0.450 3.917 1.00 0.00 C ATOM 1430 C GLY A 95 -9.796 -0.077 3.859 1.00 0.00 C ATOM 1431 O GLY A 95 -9.404 0.811 3.103 1.00 0.00 O ATOM 0 H GLY A 95 -11.697 1.600 3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.425 -1.153 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.542 -0.962 2.996 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.982 -0.757 4.660 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.549 -0.490 4.698 1.00 0.00 C ATOM 1437 C GLU A 96 -6.762 -1.776 4.929 1.00 0.00 C ATOM 1438 O GLU A 96 -7.288 -2.752 5.464 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.225 0.524 5.797 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.572 0.039 7.194 1.00 0.00 C ATOM 1441 CD GLU A 96 -6.647 0.605 8.254 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -5.420 0.409 8.138 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -7.153 1.245 9.201 1.00 0.00 O ATOM 0 H GLU A 96 -9.290 -1.497 5.291 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.257 -0.074 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.162 0.762 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.767 1.449 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.600 0.318 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.524 -1.050 7.219 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.496 -1.770 4.522 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.656 -2.942 4.693 1.00 0.00 C ATOM 1452 C GLY A 97 -3.260 -2.590 5.168 1.00 0.00 C ATOM 1453 O GLY A 97 -2.987 -1.442 5.520 1.00 0.00 O ATOM 0 H GLY A 97 -5.037 -0.975 4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.121 -3.617 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.590 -3.479 3.747 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.374 -3.580 5.180 1.00 0.00 N ATOM 1458 CA PHE A 98 -0.999 -3.370 5.618 1.00 0.00 C ATOM 1459 C PHE A 98 -0.039 -4.273 4.848 1.00 0.00 C ATOM 1460 O PHE A 98 -0.275 -5.473 4.708 1.00 0.00 O ATOM 1461 CB PHE A 98 -0.873 -3.636 7.119 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.656 -2.674 7.966 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -3.042 -2.704 7.971 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -1.007 -1.739 8.757 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.765 -1.819 8.748 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.725 -0.852 9.537 1.00 0.00 C ATOM 1467 CZ PHE A 98 -3.106 -0.893 9.533 1.00 0.00 C ATOM 0 H PHE A 98 -2.583 -4.536 4.891 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.735 -2.332 5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.210 -4.651 7.330 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.178 -3.584 7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.563 -3.427 7.361 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.072 -1.703 8.764 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.844 -1.851 8.741 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.207 -0.128 10.149 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.669 -0.202 10.143 1.00 0.00 H new ATOM 1477 N VAL A 99 1.045 -3.686 4.350 1.00 0.00 N ATOM 1478 CA VAL A 99 2.041 -4.436 3.594 1.00 0.00 C ATOM 1479 C VAL A 99 3.452 -4.105 4.067 1.00 0.00 C ATOM 1480 O VAL A 99 3.839 -2.938 4.131 1.00 0.00 O ATOM 1481 CB VAL A 99 1.936 -4.147 2.085 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.507 -2.774 1.763 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.645 -5.229 1.285 1.00 0.00 C ATOM 0 H VAL A 99 1.256 -2.694 4.457 1.00 0.00 H new ATOM 0 HA VAL A 99 1.841 -5.493 3.768 1.00 0.00 H new ATOM 0 HB VAL A 99 0.883 -4.151 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.424 -2.587 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.951 -2.012 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.556 -2.738 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.561 -5.009 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.697 -5.259 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.186 -6.195 1.493 1.00 0.00 H new ATOM 1493 N ASN A 100 4.219 -5.140 4.396 1.00 0.00 N ATOM 1494 CA ASN A 100 5.588 -4.959 4.863 1.00 0.00 C ATOM 1495 C ASN A 100 6.586 -5.227 3.740 1.00 0.00 C ATOM 1496 O ASN A 100 6.409 -6.151 2.945 1.00 0.00 O ATOM 1497 CB ASN A 100 5.873 -5.887 6.045 1.00 0.00 C ATOM 1498 CG ASN A 100 4.786 -5.828 7.101 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.727 -5.238 6.886 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.044 -6.440 8.251 1.00 0.00 N ATOM 0 H ASN A 100 3.915 -6.112 4.348 1.00 0.00 H new ATOM 0 HA ASN A 100 5.701 -3.924 5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.970 -6.911 5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.828 -5.615 6.495 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.351 -6.433 8.999 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.935 -6.917 8.386 1.00 0.00 H new ATOM 1507 N VAL A 101 7.635 -4.414 3.681 1.00 0.00 N ATOM 1508 CA VAL A 101 8.662 -4.564 2.657 1.00 0.00 C ATOM 1509 C VAL A 101 10.059 -4.489 3.264 1.00 0.00 C ATOM 1510 O VAL A 101 10.497 -3.430 3.714 1.00 0.00 O ATOM 1511 CB VAL A 101 8.530 -3.483 1.567 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.727 -3.522 0.628 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.231 -3.661 0.796 1.00 0.00 C ATOM 0 H VAL A 101 7.796 -3.644 4.330 1.00 0.00 H new ATOM 0 HA VAL A 101 8.517 -5.545 2.205 1.00 0.00 H new ATOM 0 HB VAL A 101 8.509 -2.506 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.616 -2.752 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.640 -3.342 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.783 -4.500 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.154 -2.889 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.220 -4.643 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.387 -3.578 1.481 1.00 0.00 H new ATOM 1523 N THR A 102 10.755 -5.622 3.274 1.00 0.00 N ATOM 1524 CA THR A 102 12.102 -5.686 3.827 1.00 0.00 C ATOM 1525 C THR A 102 13.152 -5.489 2.739 1.00 0.00 C ATOM 1526 O THR A 102 12.979 -5.939 1.606 1.00 0.00 O ATOM 1527 CB THR A 102 12.356 -7.031 4.533 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.442 -7.193 5.623 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.786 -7.111 5.047 1.00 0.00 C ATOM 0 H THR A 102 10.408 -6.507 2.905 1.00 0.00 H new ATOM 0 HA THR A 102 12.183 -4.881 4.557 1.00 0.00 H new ATOM 0 HB THR A 102 12.202 -7.831 3.809 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.609 -8.051 6.065 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.942 -8.070 5.542 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.479 -7.017 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.963 -6.303 5.757 1.00 0.00 H new ATOM 1537 N VAL A 103 14.243 -4.815 3.091 1.00 0.00 N ATOM 1538 CA VAL A 103 15.322 -4.560 2.145 1.00 0.00 C ATOM 1539 C VAL A 103 16.615 -5.233 2.593 1.00 0.00 C ATOM 1540 O VAL A 103 17.106 -4.988 3.695 1.00 0.00 O ATOM 1541 CB VAL A 103 15.575 -3.051 1.974 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.738 -2.808 1.025 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.316 -2.354 1.479 1.00 0.00 C ATOM 0 H VAL A 103 14.402 -4.436 4.025 1.00 0.00 H new ATOM 0 HA VAL A 103 15.009 -4.978 1.188 1.00 0.00 H new ATOM 0 HB VAL A 103 15.838 -2.631 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.901 -1.736 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.638 -3.274 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.509 -3.240 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.512 -1.288 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.021 -2.775 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.512 -2.499 2.201 1.00 0.00 H new ATOM 1553 N LYS A 104 17.163 -6.082 1.730 1.00 0.00 N ATOM 1554 CA LYS A 104 18.401 -6.790 2.034 1.00 0.00 C ATOM 1555 C LYS A 104 19.615 -5.977 1.597 1.00 0.00 C ATOM 1556 O LYS A 104 19.598 -5.295 0.572 1.00 0.00 O ATOM 1557 CB LYS A 104 18.414 -8.157 1.345 1.00 0.00 C ATOM 1558 CG LYS A 104 17.218 -9.026 1.694 1.00 0.00 C ATOM 1559 CD LYS A 104 17.466 -9.835 2.956 1.00 0.00 C ATOM 1560 CE LYS A 104 16.195 -10.513 3.442 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.489 -11.659 4.346 1.00 0.00 N ATOM 0 H LYS A 104 16.769 -6.297 0.814 1.00 0.00 H new ATOM 0 HA LYS A 104 18.452 -6.934 3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.443 -8.010 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.328 -8.684 1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.338 -8.398 1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.003 -9.700 0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.230 -10.588 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.853 -9.182 3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.574 -9.787 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.620 -10.864 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.597 -12.095 4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.061 -12.364 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.015 -11.320 5.176 1.00 0.00 H new ATOM 1575 N PRO A 105 20.694 -6.050 2.390 1.00 0.00 N ATOM 1576 CA PRO A 105 21.937 -5.328 2.103 1.00 0.00 C ATOM 1577 C PRO A 105 22.669 -5.893 0.890 1.00 0.00 C ATOM 1578 O PRO A 105 22.679 -7.103 0.668 1.00 0.00 O ATOM 1579 CB PRO A 105 22.768 -5.535 3.372 1.00 0.00 C ATOM 1580 CG PRO A 105 22.249 -6.800 3.963 1.00 0.00 C ATOM 1581 CD PRO A 105 20.784 -6.844 3.627 1.00 0.00 C ATOM 0 HA PRO A 105 21.754 -4.281 1.862 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.830 -5.613 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.652 -4.699 4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.770 -7.665 3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.403 -6.818 5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.437 -7.866 3.475 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.176 -6.416 4.424 1.00 0.00 H new ATOM 1589 N ALA A 106 23.280 -5.008 0.109 1.00 0.00 N ATOM 1590 CA ALA A 106 24.016 -5.419 -1.080 1.00 0.00 C ATOM 1591 C ALA A 106 25.073 -6.463 -0.738 1.00 0.00 C ATOM 1592 O ALA A 106 26.107 -6.144 -0.150 1.00 0.00 O ATOM 1593 CB ALA A 106 24.660 -4.211 -1.746 1.00 0.00 C ATOM 0 H ALA A 106 23.280 -4.002 0.278 1.00 0.00 H new ATOM 0 HA ALA A 106 23.309 -5.871 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.206 -4.533 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.887 -3.499 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.349 -3.735 -1.048 1.00 0.00 H new ATOM 1599 N ARG A 107 24.807 -7.711 -1.109 1.00 0.00 N ATOM 1600 CA ARG A 107 25.735 -8.803 -0.839 1.00 0.00 C ATOM 1601 C ARG A 107 26.296 -9.373 -2.138 1.00 0.00 C ATOM 1602 O ARG A 107 27.326 -10.046 -2.138 1.00 0.00 O ATOM 1603 CB ARG A 107 25.038 -9.908 -0.043 1.00 0.00 C ATOM 1604 CG ARG A 107 23.865 -10.539 -0.776 1.00 0.00 C ATOM 1605 CD ARG A 107 23.539 -11.918 -0.223 1.00 0.00 C ATOM 1606 NE ARG A 107 24.284 -12.971 -0.907 1.00 0.00 N ATOM 1607 CZ ARG A 107 24.007 -13.386 -2.138 1.00 0.00 C ATOM 1608 NH1 ARG A 107 23.008 -12.839 -2.817 1.00 0.00 N ATOM 1609 NH2 ARG A 107 24.730 -14.350 -2.693 1.00 0.00 N ATOM 0 H ARG A 107 23.957 -7.991 -1.597 1.00 0.00 H new ATOM 0 HA ARG A 107 26.562 -8.407 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 107 25.765 -10.684 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 107 24.686 -9.496 0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 107 22.990 -9.894 -0.688 1.00 0.00 H new ATOM 0 HG3 ARG A 107 24.098 -10.617 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 107 23.768 -11.945 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 107 22.470 -12.106 -0.324 1.00 0.00 H new ATOM 0 HE ARG A 107 25.060 -13.412 -0.413 1.00 0.00 H new ATOM 0 HH11 ARG A 107 22.450 -12.097 -2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.798 -13.160 -3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 107 25.500 -14.773 -2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 107 24.516 -14.668 -3.638 1.00 0.00 H new ATOM 1623 N SER A 108 25.611 -9.099 -3.243 1.00 0.00 N ATOM 1624 CA SER A 108 26.038 -9.588 -4.549 1.00 0.00 C ATOM 1625 C SER A 108 26.396 -8.428 -5.473 1.00 0.00 C ATOM 1626 O SER A 108 25.563 -7.570 -5.762 1.00 0.00 O ATOM 1627 CB SER A 108 24.937 -10.440 -5.184 1.00 0.00 C ATOM 1628 OG SER A 108 24.613 -11.549 -4.363 1.00 0.00 O ATOM 0 H SER A 108 24.758 -8.541 -3.260 1.00 0.00 H new ATOM 0 HA SER A 108 26.926 -10.203 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A 108 24.048 -9.830 -5.344 1.00 0.00 H new ATOM 0 HB3 SER A 108 25.264 -10.791 -6.163 1.00 0.00 H new ATOM 0 HG SER A 108 24.311 -12.294 -4.924 1.00 0.00 H new ATOM 1634 N GLY A 109 27.643 -8.409 -5.934 1.00 0.00 N ATOM 1635 CA GLY A 109 28.091 -7.351 -6.820 1.00 0.00 C ATOM 1636 C GLY A 109 29.350 -6.670 -6.321 1.00 0.00 C ATOM 1637 O GLY A 109 29.388 -6.116 -5.222 1.00 0.00 O ATOM 0 H GLY A 109 28.351 -9.108 -5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 109 28.274 -7.765 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 109 27.299 -6.610 -6.926 1.00 0.00 H new ATOM 1641 N PRO A 110 30.412 -6.709 -7.139 1.00 0.00 N ATOM 1642 CA PRO A 110 31.699 -6.096 -6.794 1.00 0.00 C ATOM 1643 C PRO A 110 31.633 -4.573 -6.790 1.00 0.00 C ATOM 1644 O PRO A 110 31.579 -3.942 -7.846 1.00 0.00 O ATOM 1645 CB PRO A 110 32.634 -6.589 -7.902 1.00 0.00 C ATOM 1646 CG PRO A 110 31.736 -6.875 -9.056 1.00 0.00 C ATOM 1647 CD PRO A 110 30.439 -7.352 -8.463 1.00 0.00 C ATOM 0 HA PRO A 110 32.025 -6.368 -5.790 1.00 0.00 H new ATOM 0 HB2 PRO A 110 33.378 -5.834 -8.157 1.00 0.00 H new ATOM 0 HB3 PRO A 110 33.178 -7.482 -7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 110 31.583 -5.982 -9.662 1.00 0.00 H new ATOM 0 HG3 PRO A 110 32.169 -7.633 -9.709 1.00 0.00 H new ATOM 0 HD2 PRO A 110 29.585 -7.054 -9.072 1.00 0.00 H new ATOM 0 HD3 PRO A 110 30.410 -8.439 -8.383 1.00 0.00 H new ATOM 1655 N SER A 111 31.639 -3.988 -5.597 1.00 0.00 N ATOM 1656 CA SER A 111 31.577 -2.538 -5.456 1.00 0.00 C ATOM 1657 C SER A 111 30.667 -1.927 -6.517 1.00 0.00 C ATOM 1658 O SER A 111 30.979 -0.886 -7.094 1.00 0.00 O ATOM 1659 CB SER A 111 32.979 -1.934 -5.561 1.00 0.00 C ATOM 1660 OG SER A 111 33.642 -1.962 -4.309 1.00 0.00 O ATOM 0 H SER A 111 31.686 -4.496 -4.714 1.00 0.00 H new ATOM 0 HA SER A 111 31.164 -2.311 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 111 33.562 -2.487 -6.297 1.00 0.00 H new ATOM 0 HB3 SER A 111 32.910 -0.906 -5.916 1.00 0.00 H new ATOM 0 HG SER A 111 34.536 -1.572 -4.404 1.00 0.00 H new ATOM 1666 N SER A 112 29.539 -2.584 -6.769 1.00 0.00 N ATOM 1667 CA SER A 112 28.584 -2.110 -7.764 1.00 0.00 C ATOM 1668 C SER A 112 27.411 -1.399 -7.095 1.00 0.00 C ATOM 1669 O SER A 112 26.379 -2.008 -6.817 1.00 0.00 O ATOM 1670 CB SER A 112 28.072 -3.278 -8.609 1.00 0.00 C ATOM 1671 OG SER A 112 29.147 -4.042 -9.126 1.00 0.00 O ATOM 0 H SER A 112 29.264 -3.446 -6.298 1.00 0.00 H new ATOM 0 HA SER A 112 29.096 -1.399 -8.413 1.00 0.00 H new ATOM 0 HB2 SER A 112 27.428 -3.915 -8.003 1.00 0.00 H new ATOM 0 HB3 SER A 112 27.464 -2.898 -9.430 1.00 0.00 H new ATOM 0 HG SER A 112 29.943 -3.905 -8.570 1.00 0.00 H new ATOM 1677 N GLY A 113 27.579 -0.105 -6.839 1.00 0.00 N ATOM 1678 CA GLY A 113 26.528 0.668 -6.204 1.00 0.00 C ATOM 1679 C GLY A 113 27.002 1.368 -4.946 1.00 0.00 C ATOM 1680 O GLY A 113 26.327 2.261 -4.433 1.00 0.00 O ATOM 0 H GLY A 113 28.424 0.421 -7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 113 26.151 1.409 -6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 113 25.695 0.009 -5.958 1.00 0.00 H new TER 1684 GLY A 113