USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1200 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 111 GLN : amide:sc= 0.537 K(o=1.3,f=-6.5!) USER MOD Set 1.2: A 114 LYS NZ :NH3+ 168:sc= 0.748 (180deg=0) USER MOD Set 2.1: A 46 MET CE :methyl -174:sc= -1.66 (180deg=-1.75) USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.103! (180deg=-0.427!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.565 X(o=-0.57,f=-0.091) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.0407 F(o=-0.66,f=-0.041) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 7 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.028) USER MOD Single : A 8 HIS : no HE2:sc= 0.624 K(o=0.62,f=-4.1!) USER MOD Single : A 9 SER OG : rot 32:sc= 0.524 USER MOD Single : A 10 HIS : no HD1:sc= -0.191 K(o=-0.19,f=-2.1) USER MOD Single : A 11 MET CE :methyl -161:sc= -0.179 (180deg=-0.677) USER MOD Single : A 14 HIS : no HE2:sc= -0.219 K(o=-0.22,f=-2.6!) USER MOD Single : A 18 THR OG1 : rot 1:sc= 0.554 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -2.1! C(o=-4.4!,f=-2.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.0959 X(o=0.096,f=-0.041) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.15) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0315 (180deg=-0.205) USER MOD Single : A 44 SER OG : rot 87:sc= 0.793 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl -160:sc= -0.146 (180deg=-0.688) USER MOD Single : A 61 LYS NZ :NH3+ -105:sc= -2.11! (180deg=-4.61!) USER MOD Single : A 62 GLN : amide:sc= 0.0415 X(o=0.042,f=0) USER MOD Single : A 68 MET CE :methyl -167:sc= -0.0233 (180deg=-0.247) USER MOD Single : A 70 TYR OH : rot 39:sc= 0.144 USER MOD Single : A 74 THR OG1 : rot -78:sc= 0.707 USER MOD Single : A 76 LYS NZ :NH3+ -172:sc= 0.0456 (180deg=-0.0507) USER MOD Single : A 84 ASN : amide:sc= -0.701 K(o=-0.7,f=-2.2) USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= 1.29 (180deg=-0.339) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= 0.949 (180deg=0.34) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0224 USER MOD Single : A 93 LYS NZ :NH3+ -175:sc=-0.00444 (180deg=-0.0676) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.24 F(o=-1.4,f=-0.24) USER MOD Single : A 99 THR OG1 : rot -26:sc= 0.888 USER MOD Single : A 100 SER OG : rot -36:sc= 0.369 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 72:sc= 0.0399 USER MOD Single : A 110 THR OG1 : rot 68:sc= 1.36 USER MOD Single : A 112 TYR OH : rot 109:sc= 0.464 USER MOD Single : A 113 MET CE :methyl -166:sc= -3.37! (180deg=-3.59) USER MOD Single : A 115 TYR OH : rot 161:sc= 0.736 USER MOD Single : A 117 TYR OH : rot 150:sc= -0.169 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -73:sc= -0.435 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -96:sc= 0.555 USER MOD Single : A 128 ASN : amide:sc= 0.628 K(o=0.63,f=-0.061) USER MOD Single : A 130 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 133 GLN : amide:sc= 0.36 X(o=0.36,f=-0.0067) USER MOD Single : A 138 SER OG : rot 73:sc= 0.596 USER MOD Single : A 139 ASN :FLIP amide:sc= -1.82 F(o=-3.4!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.750 -7.246 -17.856 1.00 31.34 N ATOM 2 CA MET A 1 29.301 -7.297 -16.437 1.00 70.14 C ATOM 3 C MET A 1 28.533 -8.596 -16.149 1.00 2.11 C ATOM 4 O MET A 1 27.448 -8.821 -16.693 1.00 44.01 O ATOM 5 CB MET A 1 28.408 -6.087 -16.116 1.00 53.13 C ATOM 6 CG MET A 1 29.074 -4.738 -16.371 1.00 72.32 C ATOM 7 SD MET A 1 29.567 -4.533 -18.094 1.00 22.32 S ATOM 8 CE MET A 1 30.251 -2.877 -18.058 1.00 55.10 C ATOM 0 H1 MET A 1 29.889 -6.255 -18.141 1.00 31.34 H new ATOM 0 H2 MET A 1 30.646 -7.764 -17.955 1.00 31.34 H new ATOM 0 H3 MET A 1 29.028 -7.683 -18.464 1.00 31.34 H new ATOM 0 HA MET A 1 30.188 -7.269 -15.804 1.00 70.14 H new ATOM 0 HB2 MET A 1 27.499 -6.151 -16.714 1.00 53.13 H new ATOM 0 HB3 MET A 1 28.105 -6.139 -15.070 1.00 53.13 H new ATOM 0 HG2 MET A 1 28.387 -3.938 -16.094 1.00 72.32 H new ATOM 0 HG3 MET A 1 29.951 -4.641 -15.731 1.00 72.32 H new ATOM 0 HE1 MET A 1 30.600 -2.606 -19.054 1.00 55.10 H new ATOM 0 HE2 MET A 1 29.483 -2.173 -17.738 1.00 55.10 H new ATOM 0 HE3 MET A 1 31.087 -2.844 -17.359 1.00 55.10 H new ATOM 20 N GLY A 2 29.097 -9.449 -15.295 1.00 61.02 N ATOM 21 CA GLY A 2 28.458 -10.721 -14.970 1.00 21.12 C ATOM 22 C GLY A 2 28.804 -11.233 -13.577 1.00 25.25 C ATOM 23 O GLY A 2 29.712 -12.049 -13.411 1.00 33.30 O ATOM 0 H GLY A 2 29.985 -9.284 -14.821 1.00 61.02 H new ATOM 0 HA2 GLY A 2 27.377 -10.607 -15.049 1.00 21.12 H new ATOM 0 HA3 GLY A 2 28.754 -11.467 -15.707 1.00 21.12 H new ATOM 27 N HIS A 3 28.076 -10.759 -12.567 1.00 22.33 N ATOM 28 CA HIS A 3 28.281 -11.206 -11.182 1.00 21.55 C ATOM 29 C HIS A 3 27.360 -12.384 -10.826 1.00 53.44 C ATOM 30 O HIS A 3 27.531 -13.030 -9.790 1.00 71.34 O ATOM 31 CB HIS A 3 28.030 -10.051 -10.202 1.00 62.34 C ATOM 32 CG HIS A 3 28.995 -8.910 -10.337 1.00 64.52 C ATOM 33 ND1 HIS A 3 30.187 -8.850 -9.652 1.00 15.31 N ATOM 34 CD2 HIS A 3 28.934 -7.770 -11.070 1.00 43.32 C ATOM 35 CE1 HIS A 3 30.812 -7.732 -9.950 1.00 62.13 C ATOM 36 NE2 HIS A 3 30.079 -7.058 -10.808 1.00 2.21 N ATOM 0 H HIS A 3 27.337 -10.065 -12.678 1.00 22.33 H new ATOM 0 HA HIS A 3 29.316 -11.539 -11.099 1.00 21.55 H new ATOM 0 HB2 HIS A 3 27.018 -9.676 -10.352 1.00 62.34 H new ATOM 0 HB3 HIS A 3 28.080 -10.436 -9.183 1.00 62.34 H new ATOM 0 HD2 HIS A 3 28.135 -7.477 -11.735 1.00 43.32 H new ATOM 0 HE1 HIS A 3 31.768 -7.420 -9.556 1.00 62.13 H new ATOM 0 HE2 HIS A 3 30.321 -6.154 -11.213 1.00 2.21 H new ATOM 45 N HIS A 4 26.380 -12.653 -11.686 1.00 52.24 N ATOM 46 CA HIS A 4 25.384 -13.705 -11.437 1.00 72.32 C ATOM 47 C HIS A 4 25.709 -14.990 -12.215 1.00 14.40 C ATOM 48 O HIS A 4 25.970 -14.947 -13.419 1.00 72.34 O ATOM 49 CB HIS A 4 23.980 -13.219 -11.843 1.00 71.10 C ATOM 50 CG HIS A 4 23.496 -12.007 -11.101 1.00 65.12 C ATOM 51 ND1 HIS A 4 22.164 -11.781 -10.823 1.00 23.53 N ATOM 52 CD2 HIS A 4 24.163 -10.940 -10.605 1.00 50.04 C ATOM 53 CE1 HIS A 4 22.035 -10.633 -10.190 1.00 62.01 C ATOM 54 NE2 HIS A 4 23.232 -10.105 -10.045 1.00 31.51 N ATOM 0 H HIS A 4 26.250 -12.157 -12.568 1.00 52.24 H new ATOM 0 HA HIS A 4 25.410 -13.927 -10.370 1.00 72.32 H new ATOM 0 HB2 HIS A 4 23.982 -12.998 -12.910 1.00 71.10 H new ATOM 0 HB3 HIS A 4 23.270 -14.031 -11.687 1.00 71.10 H new ATOM 0 HD2 HIS A 4 25.230 -10.777 -10.643 1.00 50.04 H new ATOM 0 HE1 HIS A 4 21.107 -10.199 -9.849 1.00 62.01 H new ATOM 0 HE2 HIS A 4 23.434 -9.216 -9.588 1.00 31.51 H new ATOM 63 N HIS A 5 25.712 -16.128 -11.521 1.00 44.55 N ATOM 64 CA HIS A 5 25.777 -17.439 -12.185 1.00 31.11 C ATOM 65 C HIS A 5 24.577 -17.618 -13.136 1.00 33.34 C ATOM 66 O HIS A 5 23.422 -17.545 -12.711 1.00 24.22 O ATOM 67 CB HIS A 5 25.817 -18.570 -11.141 1.00 41.13 C ATOM 68 CG HIS A 5 24.705 -18.508 -10.130 1.00 22.34 C ATOM 69 ND1 HIS A 5 24.554 -17.735 -9.028 1.00 21.21 N flip ATOM 70 CD2 HIS A 5 23.580 -19.304 -10.186 1.00 44.41 C flip ATOM 71 CE1 HIS A 5 23.355 -18.074 -8.453 1.00 33.21 C flip ATOM 72 NE2 HIS A 5 22.789 -19.020 -9.171 1.00 14.05 N flip ATOM 0 H HIS A 5 25.670 -16.174 -10.503 1.00 44.55 H new ATOM 0 HA HIS A 5 26.693 -17.486 -12.774 1.00 31.11 H new ATOM 0 HB2 HIS A 5 25.772 -19.529 -11.657 1.00 41.13 H new ATOM 0 HB3 HIS A 5 26.773 -18.534 -10.618 1.00 41.13 H new ATOM 0 HD2 HIS A 5 23.378 -20.046 -10.945 1.00 44.41 H new ATOM 0 HE1 HIS A 5 22.943 -17.635 -7.556 1.00 33.21 H new ATOM 0 HE2 HIS A 5 21.890 -19.459 -8.975 1.00 14.05 H new ATOM 81 N HIS A 6 24.855 -17.861 -14.415 1.00 32.34 N ATOM 82 CA HIS A 6 23.815 -17.851 -15.456 1.00 20.34 C ATOM 83 C HIS A 6 22.817 -19.015 -15.311 1.00 71.13 C ATOM 84 O HIS A 6 21.720 -18.976 -15.870 1.00 33.23 O ATOM 85 CB HIS A 6 24.466 -17.875 -16.847 1.00 24.43 C ATOM 86 CG HIS A 6 23.510 -17.586 -17.964 1.00 71.32 C ATOM 87 ND1 HIS A 6 22.864 -16.375 -18.107 1.00 33.42 N ATOM 88 CD2 HIS A 6 23.086 -18.353 -18.997 1.00 20.54 C ATOM 89 CE1 HIS A 6 22.092 -16.410 -19.171 1.00 24.05 C ATOM 90 NE2 HIS A 6 22.206 -17.596 -19.730 1.00 3.33 N ATOM 0 H HIS A 6 25.792 -18.068 -14.762 1.00 32.34 H new ATOM 0 HA HIS A 6 23.244 -16.931 -15.333 1.00 20.34 H new ATOM 0 HB2 HIS A 6 25.274 -17.143 -16.873 1.00 24.43 H new ATOM 0 HB3 HIS A 6 24.917 -18.854 -17.011 1.00 24.43 H new ATOM 0 HD2 HIS A 6 23.384 -19.370 -19.205 1.00 20.54 H new ATOM 0 HE1 HIS A 6 21.470 -15.602 -19.526 1.00 24.05 H new ATOM 0 HE2 HIS A 6 21.719 -17.903 -20.572 1.00 3.33 H new ATOM 99 N HIS A 7 23.198 -20.046 -14.561 1.00 42.12 N ATOM 100 CA HIS A 7 22.317 -21.201 -14.334 1.00 20.23 C ATOM 101 C HIS A 7 21.155 -20.836 -13.392 1.00 3.23 C ATOM 102 O HIS A 7 21.359 -20.603 -12.199 1.00 24.22 O ATOM 103 CB HIS A 7 23.115 -22.376 -13.757 1.00 14.42 C ATOM 104 CG HIS A 7 24.164 -22.918 -14.683 1.00 62.34 C ATOM 105 ND1 HIS A 7 24.370 -24.264 -14.878 1.00 23.14 N ATOM 106 CD2 HIS A 7 25.075 -22.288 -15.464 1.00 52.34 C ATOM 107 CE1 HIS A 7 25.354 -24.440 -15.733 1.00 15.51 C ATOM 108 NE2 HIS A 7 25.802 -23.260 -16.108 1.00 12.45 N ATOM 0 H HIS A 7 24.105 -20.111 -14.100 1.00 42.12 H new ATOM 0 HA HIS A 7 21.896 -21.496 -15.295 1.00 20.23 H new ATOM 0 HB2 HIS A 7 23.593 -22.057 -12.831 1.00 14.42 H new ATOM 0 HB3 HIS A 7 22.424 -23.178 -13.499 1.00 14.42 H new ATOM 0 HD2 HIS A 7 25.205 -21.220 -15.562 1.00 52.34 H new ATOM 0 HE1 HIS A 7 25.732 -25.394 -16.071 1.00 15.51 H new ATOM 0 HE2 HIS A 7 26.563 -23.095 -16.767 1.00 12.45 H new ATOM 117 N HIS A 8 19.937 -20.792 -13.935 1.00 15.02 N ATOM 118 CA HIS A 8 18.755 -20.384 -13.158 1.00 63.10 C ATOM 119 C HIS A 8 17.967 -21.583 -12.594 1.00 14.20 C ATOM 120 O HIS A 8 17.024 -22.075 -13.215 1.00 62.54 O ATOM 121 CB HIS A 8 17.834 -19.488 -14.005 1.00 74.20 C ATOM 122 CG HIS A 8 17.600 -19.978 -15.408 1.00 31.33 C ATOM 123 ND1 HIS A 8 17.175 -21.255 -15.710 1.00 11.35 N ATOM 124 CD2 HIS A 8 17.745 -19.348 -16.598 1.00 64.04 C ATOM 125 CE1 HIS A 8 17.071 -21.387 -17.017 1.00 75.34 C ATOM 126 NE2 HIS A 8 17.410 -20.248 -17.579 1.00 22.43 N ATOM 0 H HIS A 8 19.739 -21.032 -14.906 1.00 15.02 H new ATOM 0 HA HIS A 8 19.123 -19.817 -12.303 1.00 63.10 H new ATOM 0 HB2 HIS A 8 16.872 -19.398 -13.500 1.00 74.20 H new ATOM 0 HB3 HIS A 8 18.264 -18.488 -14.051 1.00 74.20 H new ATOM 0 HD1 HIS A 8 16.972 -21.985 -15.027 1.00 11.35 H new ATOM 0 HD2 HIS A 8 18.065 -18.327 -16.747 1.00 64.04 H new ATOM 0 HE1 HIS A 8 16.760 -22.280 -17.538 1.00 75.34 H new ATOM 135 N SER A 9 18.358 -22.046 -11.411 1.00 60.14 N ATOM 136 CA SER A 9 17.631 -23.120 -10.717 1.00 31.55 C ATOM 137 C SER A 9 16.495 -22.545 -9.856 1.00 52.03 C ATOM 138 O SER A 9 16.734 -21.964 -8.796 1.00 62.04 O ATOM 139 CB SER A 9 18.591 -23.941 -9.843 1.00 64.31 C ATOM 140 OG SER A 9 19.266 -23.116 -8.905 1.00 12.54 O ATOM 0 H SER A 9 19.174 -21.698 -10.907 1.00 60.14 H new ATOM 0 HA SER A 9 17.195 -23.774 -11.472 1.00 31.55 H new ATOM 0 HB2 SER A 9 18.034 -24.715 -9.315 1.00 64.31 H new ATOM 0 HB3 SER A 9 19.320 -24.448 -10.476 1.00 64.31 H new ATOM 0 HG SER A 9 18.684 -22.371 -8.647 1.00 12.54 H new ATOM 146 N HIS A 10 15.256 -22.700 -10.319 1.00 31.10 N ATOM 147 CA HIS A 10 14.097 -22.144 -9.614 1.00 3.32 C ATOM 148 C HIS A 10 13.682 -23.014 -8.414 1.00 31.42 C ATOM 149 O HIS A 10 12.851 -23.916 -8.544 1.00 34.32 O ATOM 150 CB HIS A 10 12.908 -21.974 -10.575 1.00 52.31 C ATOM 151 CG HIS A 10 11.662 -21.480 -9.899 1.00 23.03 C ATOM 152 ND1 HIS A 10 10.654 -22.316 -9.468 1.00 72.33 N ATOM 153 CD2 HIS A 10 11.269 -20.228 -9.562 1.00 30.42 C ATOM 154 CE1 HIS A 10 9.705 -21.605 -8.899 1.00 12.55 C ATOM 155 NE2 HIS A 10 10.052 -20.337 -8.940 1.00 32.01 N ATOM 0 H HIS A 10 15.027 -23.204 -11.176 1.00 31.10 H new ATOM 0 HA HIS A 10 14.392 -21.167 -9.232 1.00 3.32 H new ATOM 0 HB2 HIS A 10 13.185 -21.276 -11.365 1.00 52.31 H new ATOM 0 HB3 HIS A 10 12.698 -22.930 -11.054 1.00 52.31 H new ATOM 0 HD2 HIS A 10 11.813 -19.314 -9.749 1.00 30.42 H new ATOM 0 HE1 HIS A 10 8.794 -21.996 -8.470 1.00 12.55 H new ATOM 0 HE2 HIS A 10 9.504 -19.560 -8.569 1.00 32.01 H new ATOM 164 N MET A 11 14.281 -22.748 -7.258 1.00 21.23 N ATOM 165 CA MET A 11 13.862 -23.380 -6.001 1.00 52.22 C ATOM 166 C MET A 11 12.523 -22.784 -5.520 1.00 40.13 C ATOM 167 O MET A 11 12.136 -21.697 -5.954 1.00 4.15 O ATOM 168 CB MET A 11 14.947 -23.191 -4.924 1.00 53.32 C ATOM 169 CG MET A 11 15.221 -21.735 -4.562 1.00 71.04 C ATOM 170 SD MET A 11 16.458 -21.560 -3.258 1.00 14.35 S ATOM 171 CE MET A 11 15.663 -22.417 -1.897 1.00 34.33 C ATOM 0 H MET A 11 15.061 -22.098 -7.160 1.00 21.23 H new ATOM 0 HA MET A 11 13.724 -24.447 -6.177 1.00 52.22 H new ATOM 0 HB2 MET A 11 14.647 -23.727 -4.024 1.00 53.32 H new ATOM 0 HB3 MET A 11 15.873 -23.647 -5.273 1.00 53.32 H new ATOM 0 HG2 MET A 11 15.558 -21.202 -5.451 1.00 71.04 H new ATOM 0 HG3 MET A 11 14.292 -21.264 -4.241 1.00 71.04 H new ATOM 0 HE1 MET A 11 16.125 -22.114 -0.957 1.00 34.33 H new ATOM 0 HE2 MET A 11 14.603 -22.165 -1.878 1.00 34.33 H new ATOM 0 HE3 MET A 11 15.778 -23.493 -2.028 1.00 34.33 H new ATOM 181 N PRO A 12 11.786 -23.486 -4.630 1.00 73.31 N ATOM 182 CA PRO A 12 10.507 -22.980 -4.087 1.00 1.03 C ATOM 183 C PRO A 12 10.636 -21.593 -3.425 1.00 40.45 C ATOM 184 O PRO A 12 10.933 -21.480 -2.233 1.00 42.33 O ATOM 185 CB PRO A 12 10.112 -24.048 -3.052 1.00 31.23 C ATOM 186 CG PRO A 12 10.813 -25.285 -3.502 1.00 60.22 C ATOM 187 CD PRO A 12 12.115 -24.824 -4.101 1.00 64.52 C ATOM 0 HA PRO A 12 9.766 -22.833 -4.873 1.00 1.03 H new ATOM 0 HB2 PRO A 12 10.422 -23.760 -2.047 1.00 31.23 H new ATOM 0 HB3 PRO A 12 9.032 -24.192 -3.024 1.00 31.23 H new ATOM 0 HG2 PRO A 12 10.986 -25.963 -2.666 1.00 60.22 H new ATOM 0 HG3 PRO A 12 10.216 -25.828 -4.235 1.00 60.22 H new ATOM 0 HD2 PRO A 12 12.908 -24.778 -3.355 1.00 64.52 H new ATOM 0 HD3 PRO A 12 12.457 -25.496 -4.888 1.00 64.52 H new ATOM 195 N ASP A 13 10.442 -20.541 -4.218 1.00 72.44 N ATOM 196 CA ASP A 13 10.512 -19.162 -3.724 1.00 72.22 C ATOM 197 C ASP A 13 9.138 -18.673 -3.229 1.00 71.12 C ATOM 198 O ASP A 13 9.029 -18.096 -2.144 1.00 32.34 O ATOM 199 CB ASP A 13 11.070 -18.234 -4.820 1.00 61.42 C ATOM 200 CG ASP A 13 10.217 -18.202 -6.081 1.00 2.25 C ATOM 201 OD1 ASP A 13 9.634 -19.243 -6.451 1.00 35.24 O ATOM 202 OD2 ASP A 13 10.117 -17.127 -6.707 1.00 43.30 O ATOM 0 H ASP A 13 10.233 -20.616 -5.214 1.00 72.44 H new ATOM 0 HA ASP A 13 11.190 -19.138 -2.871 1.00 72.22 H new ATOM 0 HB2 ASP A 13 11.153 -17.223 -4.421 1.00 61.42 H new ATOM 0 HB3 ASP A 13 12.078 -18.558 -5.081 1.00 61.42 H new ATOM 207 N HIS A 14 8.097 -18.918 -4.028 1.00 45.30 N ATOM 208 CA HIS A 14 6.715 -18.579 -3.650 1.00 73.21 C ATOM 209 C HIS A 14 6.136 -19.581 -2.638 1.00 65.14 C ATOM 210 O HIS A 14 6.679 -20.665 -2.440 1.00 11.13 O ATOM 211 CB HIS A 14 5.809 -18.551 -4.892 1.00 0.05 C ATOM 212 CG HIS A 14 5.882 -17.284 -5.683 1.00 15.45 C ATOM 213 ND1 HIS A 14 4.780 -16.493 -5.921 1.00 62.41 N ATOM 214 CD2 HIS A 14 6.919 -16.672 -6.297 1.00 72.11 C ATOM 215 CE1 HIS A 14 5.134 -15.453 -6.645 1.00 65.44 C ATOM 216 NE2 HIS A 14 6.426 -15.534 -6.887 1.00 10.20 N ATOM 0 H HIS A 14 8.182 -19.352 -4.947 1.00 45.30 H new ATOM 0 HA HIS A 14 6.746 -17.593 -3.186 1.00 73.21 H new ATOM 0 HB2 HIS A 14 6.076 -19.385 -5.540 1.00 0.05 H new ATOM 0 HB3 HIS A 14 4.777 -18.710 -4.578 1.00 0.05 H new ATOM 0 HD1 HIS A 14 3.835 -16.684 -5.587 1.00 62.41 H new ATOM 0 HD2 HIS A 14 7.943 -17.014 -6.319 1.00 72.11 H new ATOM 0 HE1 HIS A 14 4.476 -14.666 -6.984 1.00 65.44 H new ATOM 225 N GLY A 15 5.027 -19.200 -2.009 1.00 21.03 N ATOM 226 CA GLY A 15 4.288 -20.116 -1.141 1.00 2.13 C ATOM 227 C GLY A 15 2.965 -20.550 -1.772 1.00 53.54 C ATOM 228 O GLY A 15 2.395 -21.583 -1.419 1.00 2.42 O ATOM 0 H GLY A 15 4.621 -18.267 -2.083 1.00 21.03 H new ATOM 0 HA2 GLY A 15 4.899 -20.995 -0.936 1.00 2.13 H new ATOM 0 HA3 GLY A 15 4.093 -19.633 -0.184 1.00 2.13 H new ATOM 232 N ASP A 16 2.491 -19.743 -2.717 1.00 62.31 N ATOM 233 CA ASP A 16 1.250 -20.009 -3.452 1.00 12.15 C ATOM 234 C ASP A 16 1.433 -21.131 -4.494 1.00 3.32 C ATOM 235 O ASP A 16 1.567 -20.882 -5.693 1.00 63.32 O ATOM 236 CB ASP A 16 0.759 -18.705 -4.112 1.00 61.23 C ATOM 237 CG ASP A 16 1.884 -17.925 -4.792 1.00 73.23 C ATOM 238 OD1 ASP A 16 2.768 -17.399 -4.077 1.00 24.43 O ATOM 239 OD2 ASP A 16 1.898 -17.835 -6.037 1.00 65.44 O ATOM 0 H ASP A 16 2.957 -18.880 -2.999 1.00 62.31 H new ATOM 0 HA ASP A 16 0.495 -20.359 -2.748 1.00 12.15 H new ATOM 0 HB2 ASP A 16 -0.009 -18.943 -4.848 1.00 61.23 H new ATOM 0 HB3 ASP A 16 0.291 -18.074 -3.356 1.00 61.23 H new ATOM 244 N TRP A 17 1.452 -22.376 -4.026 1.00 71.24 N ATOM 245 CA TRP A 17 1.663 -23.526 -4.913 1.00 44.22 C ATOM 246 C TRP A 17 0.335 -24.157 -5.360 1.00 51.51 C ATOM 247 O TRP A 17 -0.085 -24.002 -6.510 1.00 42.20 O ATOM 248 CB TRP A 17 2.531 -24.590 -4.222 1.00 31.45 C ATOM 249 CG TRP A 17 3.825 -24.058 -3.682 1.00 11.23 C ATOM 250 CD1 TRP A 17 4.705 -23.224 -4.313 1.00 43.31 C ATOM 251 CD2 TRP A 17 4.391 -24.341 -2.398 1.00 51.44 C ATOM 252 NE1 TRP A 17 5.773 -22.961 -3.492 1.00 63.51 N ATOM 253 CE2 TRP A 17 5.605 -23.638 -2.312 1.00 72.03 C ATOM 254 CE3 TRP A 17 3.984 -25.120 -1.309 1.00 72.44 C ATOM 255 CZ2 TRP A 17 6.416 -23.690 -1.183 1.00 44.41 C ATOM 256 CZ3 TRP A 17 4.790 -25.170 -0.189 1.00 21.14 C ATOM 257 CH2 TRP A 17 5.994 -24.458 -0.131 1.00 2.33 C ATOM 0 H TRP A 17 1.325 -22.618 -3.043 1.00 71.24 H new ATOM 0 HA TRP A 17 2.178 -23.155 -5.799 1.00 44.22 H new ATOM 0 HB2 TRP A 17 1.963 -25.035 -3.405 1.00 31.45 H new ATOM 0 HB3 TRP A 17 2.745 -25.388 -4.933 1.00 31.45 H new ATOM 0 HD1 TRP A 17 4.579 -22.830 -5.311 1.00 43.31 H new ATOM 0 HE1 TRP A 17 6.564 -22.359 -3.723 1.00 63.51 H new ATOM 0 HE3 TRP A 17 3.056 -25.672 -1.344 1.00 72.44 H new ATOM 0 HZ2 TRP A 17 7.346 -23.143 -1.138 1.00 44.41 H new ATOM 0 HZ3 TRP A 17 4.486 -25.769 0.657 1.00 21.14 H new ATOM 0 HH2 TRP A 17 6.601 -24.516 0.760 1.00 2.33 H new ATOM 268 N THR A 18 -0.329 -24.846 -4.437 1.00 24.41 N ATOM 269 CA THR A 18 -1.535 -25.629 -4.753 1.00 60.24 C ATOM 270 C THR A 18 -2.825 -24.863 -4.425 1.00 23.21 C ATOM 271 O THR A 18 -2.791 -23.686 -4.062 1.00 14.15 O ATOM 272 CB THR A 18 -1.539 -26.964 -3.964 1.00 64.31 C ATOM 273 OG1 THR A 18 -1.502 -26.709 -2.547 1.00 63.15 O ATOM 274 CG2 THR A 18 -0.346 -27.833 -4.351 1.00 11.24 C ATOM 0 H THR A 18 -0.055 -24.882 -3.455 1.00 24.41 H new ATOM 0 HA THR A 18 -1.508 -25.823 -5.825 1.00 60.24 H new ATOM 0 HB THR A 18 -2.457 -27.495 -4.215 1.00 64.31 H new ATOM 0 HG1 THR A 18 -1.496 -25.742 -2.389 1.00 63.15 H new ATOM 0 HG21 THR A 18 -0.374 -28.763 -3.783 1.00 11.24 H new ATOM 0 HG22 THR A 18 -0.390 -28.058 -5.417 1.00 11.24 H new ATOM 0 HG23 THR A 18 0.579 -27.300 -4.130 1.00 11.24 H new ATOM 282 N TYR A 19 -3.969 -25.526 -4.584 1.00 30.31 N ATOM 283 CA TYR A 19 -5.247 -24.968 -4.137 1.00 52.30 C ATOM 284 C TYR A 19 -5.573 -25.462 -2.721 1.00 21.15 C ATOM 285 O TYR A 19 -6.313 -26.429 -2.531 1.00 23.41 O ATOM 286 CB TYR A 19 -6.384 -25.325 -5.111 1.00 14.40 C ATOM 287 CG TYR A 19 -7.747 -24.820 -4.663 1.00 32.44 C ATOM 288 CD1 TYR A 19 -8.051 -23.461 -4.674 1.00 71.12 C ATOM 289 CD2 TYR A 19 -8.722 -25.703 -4.210 1.00 25.23 C ATOM 290 CE1 TYR A 19 -9.281 -23.000 -4.242 1.00 65.51 C ATOM 291 CE2 TYR A 19 -9.954 -25.250 -3.784 1.00 55.14 C ATOM 292 CZ TYR A 19 -10.229 -23.899 -3.799 1.00 42.31 C ATOM 293 OH TYR A 19 -11.450 -23.450 -3.353 1.00 12.43 O ATOM 0 H TYR A 19 -4.039 -26.447 -5.017 1.00 30.31 H new ATOM 0 HA TYR A 19 -5.156 -23.882 -4.119 1.00 52.30 H new ATOM 0 HB2 TYR A 19 -6.156 -24.909 -6.092 1.00 14.40 H new ATOM 0 HB3 TYR A 19 -6.426 -26.408 -5.226 1.00 14.40 H new ATOM 0 HD1 TYR A 19 -7.313 -22.755 -5.026 1.00 71.12 H new ATOM 0 HD2 TYR A 19 -8.511 -26.762 -4.191 1.00 25.23 H new ATOM 0 HE1 TYR A 19 -9.498 -21.942 -4.251 1.00 65.51 H new ATOM 0 HE2 TYR A 19 -10.700 -25.951 -3.440 1.00 55.14 H new ATOM 0 HH TYR A 19 -11.999 -24.214 -3.079 1.00 12.43 H new ATOM 303 N GLU A 20 -4.970 -24.818 -1.732 1.00 25.32 N ATOM 304 CA GLU A 20 -5.213 -25.146 -0.326 1.00 55.14 C ATOM 305 C GLU A 20 -4.913 -23.929 0.554 1.00 35.22 C ATOM 306 O GLU A 20 -5.780 -23.420 1.269 1.00 12.22 O ATOM 307 CB GLU A 20 -4.338 -26.338 0.104 1.00 73.12 C ATOM 308 CG GLU A 20 -4.621 -26.846 1.517 1.00 11.44 C ATOM 309 CD GLU A 20 -6.032 -27.390 1.677 1.00 23.23 C ATOM 310 OE1 GLU A 20 -6.311 -28.492 1.162 1.00 44.32 O ATOM 311 OE2 GLU A 20 -6.869 -26.721 2.320 1.00 44.40 O ATOM 0 H GLU A 20 -4.303 -24.059 -1.875 1.00 25.32 H new ATOM 0 HA GLU A 20 -6.261 -25.422 -0.206 1.00 55.14 H new ATOM 0 HB2 GLU A 20 -4.487 -27.156 -0.601 1.00 73.12 H new ATOM 0 HB3 GLU A 20 -3.290 -26.047 0.038 1.00 73.12 H new ATOM 0 HG2 GLU A 20 -3.905 -27.628 1.767 1.00 11.44 H new ATOM 0 HG3 GLU A 20 -4.467 -26.034 2.228 1.00 11.44 H new ATOM 318 N GLU A 21 -3.675 -23.458 0.478 1.00 14.21 N ATOM 319 CA GLU A 21 -3.246 -22.279 1.223 1.00 34.43 C ATOM 320 C GLU A 21 -3.767 -20.980 0.576 1.00 23.12 C ATOM 321 O GLU A 21 -3.110 -20.376 -0.271 1.00 15.40 O ATOM 322 CB GLU A 21 -1.703 -22.242 1.360 1.00 31.51 C ATOM 323 CG GLU A 21 -0.921 -22.279 0.038 1.00 75.24 C ATOM 324 CD GLU A 21 -0.808 -23.674 -0.571 1.00 64.24 C ATOM 325 OE1 GLU A 21 0.119 -24.417 -0.188 1.00 33.13 O ATOM 326 OE2 GLU A 21 -1.642 -24.029 -1.431 1.00 63.14 O ATOM 0 H GLU A 21 -2.944 -23.878 -0.097 1.00 14.21 H new ATOM 0 HA GLU A 21 -3.678 -22.348 2.221 1.00 34.43 H new ATOM 0 HB2 GLU A 21 -1.425 -21.338 1.901 1.00 31.51 H new ATOM 0 HB3 GLU A 21 -1.389 -23.088 1.971 1.00 31.51 H new ATOM 0 HG2 GLU A 21 -1.407 -21.618 -0.679 1.00 75.24 H new ATOM 0 HG3 GLU A 21 0.081 -21.884 0.208 1.00 75.24 H new ATOM 333 N GLN A 22 -4.966 -20.553 0.973 1.00 2.23 N ATOM 334 CA GLN A 22 -5.530 -19.272 0.499 1.00 13.30 C ATOM 335 C GLN A 22 -4.862 -18.078 1.216 1.00 51.15 C ATOM 336 O GLN A 22 -5.524 -17.117 1.607 1.00 1.21 O ATOM 337 CB GLN A 22 -7.066 -19.236 0.696 1.00 11.24 C ATOM 338 CG GLN A 22 -7.545 -19.217 2.154 1.00 4.24 C ATOM 339 CD GLN A 22 -7.279 -20.514 2.898 1.00 1.50 C ATOM 340 OE1 GLN A 22 -6.126 -20.614 3.529 1.00 11.41 O flip ATOM 341 NE2 GLN A 22 -8.103 -21.418 2.909 1.00 14.11 N flip ATOM 0 H GLN A 22 -5.568 -21.066 1.617 1.00 2.23 H new ATOM 0 HA GLN A 22 -5.322 -19.189 -0.568 1.00 13.30 H new ATOM 0 HB2 GLN A 22 -7.459 -18.353 0.191 1.00 11.24 H new ATOM 0 HB3 GLN A 22 -7.499 -20.105 0.201 1.00 11.24 H new ATOM 0 HG2 GLN A 22 -7.052 -18.399 2.679 1.00 4.24 H new ATOM 0 HG3 GLN A 22 -8.615 -19.009 2.174 1.00 4.24 H new ATOM 0 HE21 GLN A 22 -8.986 -21.309 2.410 1.00 14.11 H new ATOM 0 HE22 GLN A 22 -7.907 -22.281 3.417 1.00 14.11 H new ATOM 350 N PHE A 23 -3.533 -18.145 1.356 1.00 40.34 N ATOM 351 CA PHE A 23 -2.757 -17.156 2.114 1.00 22.54 C ATOM 352 C PHE A 23 -3.356 -16.872 3.495 1.00 43.01 C ATOM 353 O PHE A 23 -3.443 -15.724 3.936 1.00 40.53 O ATOM 354 CB PHE A 23 -2.572 -15.866 1.306 1.00 54.44 C ATOM 355 CG PHE A 23 -1.387 -15.934 0.377 1.00 25.51 C ATOM 356 CD1 PHE A 23 -0.100 -15.832 0.887 1.00 4.52 C ATOM 357 CD2 PHE A 23 -1.549 -16.105 -0.990 1.00 3.53 C ATOM 358 CE1 PHE A 23 0.998 -15.897 0.054 1.00 3.51 C ATOM 359 CE2 PHE A 23 -0.451 -16.169 -1.827 1.00 53.13 C ATOM 360 CZ PHE A 23 0.824 -16.064 -1.303 1.00 51.13 C ATOM 0 H PHE A 23 -2.965 -18.887 0.947 1.00 40.34 H new ATOM 0 HA PHE A 23 -1.773 -17.591 2.289 1.00 22.54 H new ATOM 0 HB2 PHE A 23 -3.474 -15.671 0.726 1.00 54.44 H new ATOM 0 HB3 PHE A 23 -2.446 -15.027 1.990 1.00 54.44 H new ATOM 0 HD1 PHE A 23 0.044 -15.700 1.949 1.00 4.52 H new ATOM 0 HD2 PHE A 23 -2.543 -16.189 -1.404 1.00 3.53 H new ATOM 0 HE1 PHE A 23 1.993 -15.817 0.465 1.00 3.51 H new ATOM 0 HE2 PHE A 23 -0.589 -16.301 -2.890 1.00 53.13 H new ATOM 0 HZ PHE A 23 1.683 -16.113 -1.956 1.00 51.13 H new ATOM 370 N LYS A 24 -3.718 -17.945 4.197 1.00 11.15 N ATOM 371 CA LYS A 24 -4.191 -17.848 5.582 1.00 4.35 C ATOM 372 C LYS A 24 -3.151 -17.119 6.458 1.00 13.44 C ATOM 373 O LYS A 24 -3.479 -16.567 7.507 1.00 71.04 O ATOM 374 CB LYS A 24 -4.458 -19.259 6.135 1.00 72.52 C ATOM 375 CG LYS A 24 -5.085 -19.306 7.535 1.00 24.35 C ATOM 376 CD LYS A 24 -6.614 -19.422 7.505 1.00 52.42 C ATOM 377 CE LYS A 24 -7.308 -18.141 7.050 1.00 60.35 C ATOM 378 NZ LYS A 24 -8.790 -18.268 7.113 1.00 74.31 N ATOM 0 H LYS A 24 -3.693 -18.896 3.830 1.00 11.15 H new ATOM 0 HA LYS A 24 -5.117 -17.274 5.601 1.00 4.35 H new ATOM 0 HB2 LYS A 24 -5.115 -19.785 5.442 1.00 72.52 H new ATOM 0 HB3 LYS A 24 -3.516 -19.807 6.158 1.00 72.52 H new ATOM 0 HG2 LYS A 24 -4.673 -20.153 8.083 1.00 24.35 H new ATOM 0 HG3 LYS A 24 -4.805 -18.406 8.082 1.00 24.35 H new ATOM 0 HD2 LYS A 24 -6.897 -20.237 6.838 1.00 52.42 H new ATOM 0 HD3 LYS A 24 -6.971 -19.686 8.500 1.00 52.42 H new ATOM 0 HE2 LYS A 24 -6.987 -17.310 7.678 1.00 60.35 H new ATOM 0 HE3 LYS A 24 -7.006 -17.905 6.030 1.00 60.35 H new ATOM 0 HZ1 LYS A 24 -9.228 -17.379 6.797 1.00 74.31 H new ATOM 0 HZ2 LYS A 24 -9.098 -19.045 6.495 1.00 74.31 H new ATOM 0 HZ3 LYS A 24 -9.080 -18.468 8.092 1.00 74.31 H new ATOM 392 N GLN A 25 -1.898 -17.112 5.988 1.00 63.31 N ATOM 393 CA GLN A 25 -0.784 -16.441 6.672 1.00 22.33 C ATOM 394 C GLN A 25 -1.122 -14.988 7.041 1.00 63.13 C ATOM 395 O GLN A 25 -0.841 -14.550 8.153 1.00 70.22 O ATOM 396 CB GLN A 25 0.470 -16.466 5.784 1.00 55.31 C ATOM 397 CG GLN A 25 1.698 -15.805 6.415 1.00 62.34 C ATOM 398 CD GLN A 25 2.109 -16.438 7.738 1.00 73.44 C ATOM 399 OE1 GLN A 25 2.894 -17.380 7.774 1.00 23.23 O ATOM 400 NE2 GLN A 25 1.589 -15.922 8.835 1.00 10.13 N ATOM 0 H GLN A 25 -1.626 -17.573 5.120 1.00 63.31 H new ATOM 0 HA GLN A 25 -0.597 -16.986 7.598 1.00 22.33 H new ATOM 0 HB2 GLN A 25 0.711 -17.502 5.544 1.00 55.31 H new ATOM 0 HB3 GLN A 25 0.245 -15.965 4.842 1.00 55.31 H new ATOM 0 HG2 GLN A 25 2.533 -15.864 5.717 1.00 62.34 H new ATOM 0 HG3 GLN A 25 1.491 -14.747 6.575 1.00 62.34 H new ATOM 0 HE21 GLN A 25 0.939 -15.139 8.772 1.00 10.13 H new ATOM 0 HE22 GLN A 25 1.837 -16.306 9.747 1.00 10.13 H new ATOM 409 N LEU A 26 -1.725 -14.247 6.107 1.00 0.31 N ATOM 410 CA LEU A 26 -2.085 -12.842 6.356 1.00 32.22 C ATOM 411 C LEU A 26 -3.000 -12.710 7.582 1.00 71.03 C ATOM 412 O LEU A 26 -2.913 -11.739 8.337 1.00 11.52 O ATOM 413 CB LEU A 26 -2.770 -12.226 5.129 1.00 71.53 C ATOM 414 CG LEU A 26 -1.884 -12.052 3.887 1.00 30.45 C ATOM 415 CD1 LEU A 26 -2.663 -11.369 2.766 1.00 12.22 C ATOM 416 CD2 LEU A 26 -0.621 -11.259 4.227 1.00 11.12 C ATOM 0 H LEU A 26 -1.974 -14.589 5.179 1.00 0.31 H new ATOM 0 HA LEU A 26 -1.160 -12.300 6.554 1.00 32.22 H new ATOM 0 HB2 LEU A 26 -3.622 -12.851 4.860 1.00 71.53 H new ATOM 0 HB3 LEU A 26 -3.166 -11.250 5.409 1.00 71.53 H new ATOM 0 HG LEU A 26 -1.581 -13.041 3.543 1.00 30.45 H new ATOM 0 HD11 LEU A 26 -2.020 -11.254 1.894 1.00 12.22 H new ATOM 0 HD12 LEU A 26 -3.528 -11.977 2.501 1.00 12.22 H new ATOM 0 HD13 LEU A 26 -2.998 -10.388 3.102 1.00 12.22 H new ATOM 0 HD21 LEU A 26 -0.009 -11.148 3.332 1.00 11.12 H new ATOM 0 HD22 LEU A 26 -0.900 -10.273 4.600 1.00 11.12 H new ATOM 0 HD23 LEU A 26 -0.053 -11.789 4.992 1.00 11.12 H new ATOM 428 N TYR A 27 -3.869 -13.698 7.770 1.00 44.33 N ATOM 429 CA TYR A 27 -4.781 -13.734 8.915 1.00 53.13 C ATOM 430 C TYR A 27 -4.042 -14.202 10.179 1.00 23.43 C ATOM 431 O TYR A 27 -4.261 -13.682 11.275 1.00 14.41 O ATOM 432 CB TYR A 27 -5.959 -14.673 8.612 1.00 3.13 C ATOM 433 CG TYR A 27 -6.710 -14.329 7.333 1.00 53.44 C ATOM 434 CD1 TYR A 27 -6.223 -14.716 6.088 1.00 22.13 C ATOM 435 CD2 TYR A 27 -7.903 -13.614 7.372 1.00 20.21 C ATOM 436 CE1 TYR A 27 -6.902 -14.407 4.925 1.00 44.02 C ATOM 437 CE2 TYR A 27 -8.589 -13.302 6.214 1.00 20.14 C ATOM 438 CZ TYR A 27 -8.085 -13.698 4.993 1.00 63.14 C ATOM 439 OH TYR A 27 -8.766 -13.383 3.835 1.00 73.04 O ATOM 0 H TYR A 27 -3.963 -14.494 7.139 1.00 44.33 H new ATOM 0 HA TYR A 27 -5.161 -12.728 9.092 1.00 53.13 H new ATOM 0 HB2 TYR A 27 -5.587 -15.695 8.539 1.00 3.13 H new ATOM 0 HB3 TYR A 27 -6.656 -14.647 9.449 1.00 3.13 H new ATOM 0 HD1 TYR A 27 -5.297 -15.268 6.030 1.00 22.13 H new ATOM 0 HD2 TYR A 27 -8.300 -13.297 8.325 1.00 20.21 H new ATOM 0 HE1 TYR A 27 -6.510 -14.718 3.968 1.00 44.02 H new ATOM 0 HE2 TYR A 27 -9.516 -12.750 6.265 1.00 20.14 H new ATOM 0 HH TYR A 27 -9.579 -12.883 4.059 1.00 73.04 H new ATOM 449 N GLU A 28 -3.145 -15.175 10.005 1.00 61.34 N ATOM 450 CA GLU A 28 -2.403 -15.769 11.123 1.00 3.33 C ATOM 451 C GLU A 28 -1.026 -15.110 11.340 1.00 24.25 C ATOM 452 O GLU A 28 -0.160 -15.694 11.996 1.00 30.12 O ATOM 453 CB GLU A 28 -2.212 -17.275 10.891 1.00 45.33 C ATOM 454 CG GLU A 28 -3.513 -18.053 10.731 1.00 25.25 C ATOM 455 CD GLU A 28 -3.293 -19.561 10.712 1.00 51.33 C ATOM 456 OE1 GLU A 28 -2.781 -20.083 9.698 1.00 13.22 O ATOM 457 OE2 GLU A 28 -3.620 -20.231 11.719 1.00 25.30 O ATOM 0 H GLU A 28 -2.913 -15.572 9.094 1.00 61.34 H new ATOM 0 HA GLU A 28 -2.998 -15.596 12.020 1.00 3.33 H new ATOM 0 HB2 GLU A 28 -1.603 -17.419 9.998 1.00 45.33 H new ATOM 0 HB3 GLU A 28 -1.653 -17.692 11.729 1.00 45.33 H new ATOM 0 HG2 GLU A 28 -4.188 -17.798 11.548 1.00 25.25 H new ATOM 0 HG3 GLU A 28 -4.003 -17.749 9.806 1.00 25.25 H new ATOM 464 N LEU A 29 -0.811 -13.910 10.788 1.00 15.41 N ATOM 465 CA LEU A 29 0.430 -13.161 11.056 1.00 21.43 C ATOM 466 C LEU A 29 0.623 -12.992 12.571 1.00 41.34 C ATOM 467 O LEU A 29 1.665 -13.344 13.125 1.00 15.41 O ATOM 468 CB LEU A 29 0.394 -11.783 10.371 1.00 11.14 C ATOM 469 CG LEU A 29 0.434 -11.802 8.833 1.00 4.41 C ATOM 470 CD1 LEU A 29 0.206 -10.401 8.268 1.00 35.40 C ATOM 471 CD2 LEU A 29 1.760 -12.374 8.333 1.00 3.31 C ATOM 0 H LEU A 29 -1.466 -13.440 10.163 1.00 15.41 H new ATOM 0 HA LEU A 29 1.269 -13.725 10.649 1.00 21.43 H new ATOM 0 HB2 LEU A 29 -0.511 -11.264 10.686 1.00 11.14 H new ATOM 0 HB3 LEU A 29 1.239 -11.196 10.731 1.00 11.14 H new ATOM 0 HG LEU A 29 -0.371 -12.447 8.481 1.00 4.41 H new ATOM 0 HD11 LEU A 29 0.238 -10.438 7.179 1.00 35.40 H new ATOM 0 HD12 LEU A 29 -0.768 -10.033 8.590 1.00 35.40 H new ATOM 0 HD13 LEU A 29 0.985 -9.731 8.632 1.00 35.40 H new ATOM 0 HD21 LEU A 29 1.767 -12.378 7.243 1.00 3.31 H new ATOM 0 HD22 LEU A 29 2.582 -11.759 8.699 1.00 3.31 H new ATOM 0 HD23 LEU A 29 1.878 -13.393 8.700 1.00 3.31 H new ATOM 483 N ASP A 30 -0.396 -12.448 13.226 1.00 32.43 N ATOM 484 CA ASP A 30 -0.462 -12.419 14.689 1.00 3.10 C ATOM 485 C ASP A 30 -1.702 -13.178 15.206 1.00 70.00 C ATOM 486 O ASP A 30 -1.641 -13.893 16.210 1.00 11.24 O ATOM 487 CB ASP A 30 -0.456 -10.965 15.192 1.00 65.13 C ATOM 488 CG ASP A 30 -1.513 -10.078 14.545 1.00 24.51 C ATOM 489 OD1 ASP A 30 -2.261 -10.555 13.661 1.00 73.03 O ATOM 490 OD2 ASP A 30 -1.593 -8.887 14.923 1.00 40.53 O ATOM 0 H ASP A 30 -1.197 -12.016 12.765 1.00 32.43 H new ATOM 0 HA ASP A 30 0.420 -12.925 15.082 1.00 3.10 H new ATOM 0 HB2 ASP A 30 -0.608 -10.965 16.271 1.00 65.13 H new ATOM 0 HB3 ASP A 30 0.528 -10.533 15.009 1.00 65.13 H new ATOM 495 N GLY A 31 -2.815 -13.037 14.486 1.00 43.11 N ATOM 496 CA GLY A 31 -4.091 -13.600 14.922 1.00 65.33 C ATOM 497 C GLY A 31 -5.014 -12.535 15.513 1.00 40.23 C ATOM 498 O GLY A 31 -5.896 -12.834 16.321 1.00 40.32 O ATOM 0 H GLY A 31 -2.858 -12.537 13.598 1.00 43.11 H new ATOM 0 HA2 GLY A 31 -4.584 -14.078 14.076 1.00 65.33 H new ATOM 0 HA3 GLY A 31 -3.910 -14.376 15.666 1.00 65.33 H new ATOM 502 N ASP A 32 -4.812 -11.286 15.092 1.00 40.15 N ATOM 503 CA ASP A 32 -5.540 -10.144 15.648 1.00 13.22 C ATOM 504 C ASP A 32 -7.010 -10.114 15.185 1.00 63.14 C ATOM 505 O ASP A 32 -7.294 -10.233 13.990 1.00 64.31 O ATOM 506 CB ASP A 32 -4.833 -8.854 15.232 1.00 22.13 C ATOM 507 CG ASP A 32 -5.385 -7.631 15.933 1.00 63.13 C ATOM 508 OD1 ASP A 32 -6.331 -7.017 15.410 1.00 43.15 O ATOM 509 OD2 ASP A 32 -4.865 -7.280 17.009 1.00 60.03 O ATOM 0 H ASP A 32 -4.145 -11.038 14.362 1.00 40.15 H new ATOM 0 HA ASP A 32 -5.547 -10.239 16.734 1.00 13.22 H new ATOM 0 HB2 ASP A 32 -3.768 -8.942 15.449 1.00 22.13 H new ATOM 0 HB3 ASP A 32 -4.929 -8.724 14.154 1.00 22.13 H new ATOM 514 N PRO A 33 -7.964 -9.926 16.126 1.00 11.13 N ATOM 515 CA PRO A 33 -9.409 -9.885 15.817 1.00 4.34 C ATOM 516 C PRO A 33 -9.781 -8.816 14.770 1.00 71.11 C ATOM 517 O PRO A 33 -10.760 -8.965 14.039 1.00 13.03 O ATOM 518 CB PRO A 33 -10.066 -9.575 17.176 1.00 74.45 C ATOM 519 CG PRO A 33 -8.963 -9.049 18.033 1.00 53.02 C ATOM 520 CD PRO A 33 -7.717 -9.747 17.568 1.00 32.24 C ATOM 0 HA PRO A 33 -9.744 -10.822 15.372 1.00 4.34 H new ATOM 0 HB2 PRO A 33 -10.865 -8.842 17.069 1.00 74.45 H new ATOM 0 HB3 PRO A 33 -10.511 -10.470 17.612 1.00 74.45 H new ATOM 0 HG2 PRO A 33 -8.868 -7.968 17.929 1.00 53.02 H new ATOM 0 HG3 PRO A 33 -9.155 -9.252 19.087 1.00 53.02 H new ATOM 0 HD2 PRO A 33 -6.825 -9.150 17.755 1.00 32.24 H new ATOM 0 HD3 PRO A 33 -7.574 -10.701 18.076 1.00 32.24 H new ATOM 528 N LYS A 34 -9.000 -7.742 14.693 1.00 5.31 N ATOM 529 CA LYS A 34 -9.234 -6.694 13.694 1.00 44.13 C ATOM 530 C LYS A 34 -8.546 -7.017 12.358 1.00 45.30 C ATOM 531 O LYS A 34 -9.050 -6.665 11.291 1.00 31.41 O ATOM 532 CB LYS A 34 -8.749 -5.331 14.221 1.00 74.52 C ATOM 533 CG LYS A 34 -9.577 -4.762 15.381 1.00 54.33 C ATOM 534 CD LYS A 34 -10.751 -3.895 14.905 1.00 44.25 C ATOM 535 CE LYS A 34 -11.774 -4.680 14.091 1.00 0.14 C ATOM 536 NZ LYS A 34 -12.438 -5.740 14.890 1.00 42.51 N ATOM 0 H LYS A 34 -8.202 -7.571 15.305 1.00 5.31 H new ATOM 0 HA LYS A 34 -10.308 -6.648 13.514 1.00 44.13 H new ATOM 0 HB2 LYS A 34 -7.713 -5.430 14.546 1.00 74.52 H new ATOM 0 HB3 LYS A 34 -8.759 -4.615 13.400 1.00 74.52 H new ATOM 0 HG2 LYS A 34 -9.960 -5.584 15.985 1.00 54.33 H new ATOM 0 HG3 LYS A 34 -8.930 -4.167 16.026 1.00 54.33 H new ATOM 0 HD2 LYS A 34 -11.244 -3.453 15.771 1.00 44.25 H new ATOM 0 HD3 LYS A 34 -10.368 -3.072 14.302 1.00 44.25 H new ATOM 0 HE2 LYS A 34 -12.528 -3.995 13.702 1.00 0.14 H new ATOM 0 HE3 LYS A 34 -11.280 -5.132 13.231 1.00 0.14 H new ATOM 0 HZ1 LYS A 34 -13.183 -6.189 14.320 1.00 42.51 H new ATOM 0 HZ2 LYS A 34 -11.736 -6.455 15.169 1.00 42.51 H new ATOM 0 HZ3 LYS A 34 -12.861 -5.319 15.742 1.00 42.51 H new ATOM 550 N ARG A 35 -7.404 -7.704 12.419 1.00 60.32 N ATOM 551 CA ARG A 35 -6.611 -7.993 11.216 1.00 20.10 C ATOM 552 C ARG A 35 -7.377 -8.850 10.190 1.00 1.43 C ATOM 553 O ARG A 35 -7.405 -8.518 9.003 1.00 22.22 O ATOM 554 CB ARG A 35 -5.281 -8.665 11.592 1.00 44.33 C ATOM 555 CG ARG A 35 -4.357 -8.900 10.396 1.00 72.53 C ATOM 556 CD ARG A 35 -2.929 -9.234 10.826 1.00 20.34 C ATOM 557 NE ARG A 35 -2.300 -8.132 11.560 1.00 32.34 N ATOM 558 CZ ARG A 35 -1.014 -7.899 11.585 1.00 52.35 C ATOM 559 NH1 ARG A 35 -0.188 -8.658 10.942 1.00 13.12 N ATOM 560 NH2 ARG A 35 -0.554 -6.900 12.259 1.00 25.31 N ATOM 0 H ARG A 35 -7.006 -8.071 13.284 1.00 60.32 H new ATOM 0 HA ARG A 35 -6.405 -7.035 10.738 1.00 20.10 H new ATOM 0 HB2 ARG A 35 -4.764 -8.045 12.324 1.00 44.33 H new ATOM 0 HB3 ARG A 35 -5.489 -9.620 12.074 1.00 44.33 H new ATOM 0 HG2 ARG A 35 -4.752 -9.715 9.789 1.00 72.53 H new ATOM 0 HG3 ARG A 35 -4.346 -8.010 9.767 1.00 72.53 H new ATOM 0 HD2 ARG A 35 -2.939 -10.126 11.452 1.00 20.34 H new ATOM 0 HD3 ARG A 35 -2.332 -9.469 9.945 1.00 20.34 H new ATOM 0 HE ARG A 35 -2.907 -7.504 12.087 1.00 32.34 H new ATOM 0 HH11 ARG A 35 -0.537 -9.452 10.405 1.00 13.12 H new ATOM 0 HH12 ARG A 35 0.813 -8.463 10.972 1.00 13.12 H new ATOM 0 HH21 ARG A 35 -1.194 -6.293 12.772 1.00 25.31 H new ATOM 0 HH22 ARG A 35 0.449 -6.717 12.279 1.00 25.31 H new ATOM 574 N LYS A 36 -8.005 -9.943 10.634 1.00 62.23 N ATOM 575 CA LYS A 36 -8.722 -10.832 9.700 1.00 74.33 C ATOM 576 C LYS A 36 -9.945 -10.136 9.069 1.00 54.30 C ATOM 577 O LYS A 36 -10.331 -10.443 7.937 1.00 2.13 O ATOM 578 CB LYS A 36 -9.160 -12.151 10.372 1.00 24.13 C ATOM 579 CG LYS A 36 -10.284 -12.019 11.402 1.00 24.32 C ATOM 580 CD LYS A 36 -9.758 -11.737 12.804 1.00 34.21 C ATOM 581 CE LYS A 36 -8.981 -12.922 13.375 1.00 72.32 C ATOM 582 NZ LYS A 36 -9.837 -14.128 13.540 1.00 45.32 N ATOM 0 H LYS A 36 -8.035 -10.234 11.611 1.00 62.23 H new ATOM 0 HA LYS A 36 -8.012 -11.072 8.908 1.00 74.33 H new ATOM 0 HB2 LYS A 36 -9.481 -12.846 9.596 1.00 24.13 H new ATOM 0 HB3 LYS A 36 -8.293 -12.596 10.860 1.00 24.13 H new ATOM 0 HG2 LYS A 36 -10.956 -11.216 11.101 1.00 24.32 H new ATOM 0 HG3 LYS A 36 -10.871 -12.938 11.415 1.00 24.32 H new ATOM 0 HD2 LYS A 36 -9.113 -10.859 12.779 1.00 34.21 H new ATOM 0 HD3 LYS A 36 -10.593 -11.500 13.463 1.00 34.21 H new ATOM 0 HE2 LYS A 36 -8.146 -13.159 12.715 1.00 72.32 H new ATOM 0 HE3 LYS A 36 -8.556 -12.645 14.340 1.00 72.32 H new ATOM 0 HZ1 LYS A 36 -9.340 -14.829 14.125 1.00 45.32 H new ATOM 0 HZ2 LYS A 36 -10.729 -13.860 14.003 1.00 45.32 H new ATOM 0 HZ3 LYS A 36 -10.042 -14.539 12.607 1.00 45.32 H new ATOM 596 N GLU A 37 -10.550 -9.201 9.802 1.00 41.01 N ATOM 597 CA GLU A 37 -11.709 -8.456 9.296 1.00 45.10 C ATOM 598 C GLU A 37 -11.270 -7.353 8.326 1.00 32.43 C ATOM 599 O GLU A 37 -11.901 -7.134 7.293 1.00 11.24 O ATOM 600 CB GLU A 37 -12.514 -7.861 10.454 1.00 31.41 C ATOM 601 CG GLU A 37 -12.934 -8.896 11.494 1.00 42.13 C ATOM 602 CD GLU A 37 -13.931 -8.357 12.507 1.00 3.51 C ATOM 603 OE1 GLU A 37 -13.768 -7.206 12.964 1.00 33.53 O ATOM 604 OE2 GLU A 37 -14.881 -9.087 12.857 1.00 64.10 O ATOM 0 H GLU A 37 -10.260 -8.940 10.745 1.00 41.01 H new ATOM 0 HA GLU A 37 -12.347 -9.153 8.752 1.00 45.10 H new ATOM 0 HB2 GLU A 37 -11.919 -7.088 10.941 1.00 31.41 H new ATOM 0 HB3 GLU A 37 -13.405 -7.375 10.056 1.00 31.41 H new ATOM 0 HG2 GLU A 37 -13.371 -9.756 10.986 1.00 42.13 H new ATOM 0 HG3 GLU A 37 -12.049 -9.253 12.020 1.00 42.13 H new ATOM 611 N PHE A 38 -10.175 -6.669 8.662 1.00 22.13 N ATOM 612 CA PHE A 38 -9.561 -5.692 7.753 1.00 11.33 C ATOM 613 C PHE A 38 -9.322 -6.323 6.373 1.00 54.01 C ATOM 614 O PHE A 38 -9.616 -5.724 5.339 1.00 72.10 O ATOM 615 CB PHE A 38 -8.231 -5.192 8.340 1.00 4.44 C ATOM 616 CG PHE A 38 -7.484 -4.216 7.453 1.00 34.25 C ATOM 617 CD1 PHE A 38 -6.579 -4.666 6.497 1.00 54.12 C ATOM 618 CD2 PHE A 38 -7.682 -2.849 7.586 1.00 53.43 C ATOM 619 CE1 PHE A 38 -5.893 -3.774 5.694 1.00 61.45 C ATOM 620 CE2 PHE A 38 -6.997 -1.955 6.785 1.00 11.34 C ATOM 621 CZ PHE A 38 -6.102 -2.416 5.839 1.00 2.33 C ATOM 0 H PHE A 38 -9.693 -6.771 9.555 1.00 22.13 H new ATOM 0 HA PHE A 38 -10.240 -4.847 7.638 1.00 11.33 H new ATOM 0 HB2 PHE A 38 -8.428 -4.715 9.300 1.00 4.44 H new ATOM 0 HB3 PHE A 38 -7.589 -6.051 8.537 1.00 4.44 H new ATOM 0 HD1 PHE A 38 -6.410 -5.726 6.381 1.00 54.12 H new ATOM 0 HD2 PHE A 38 -8.379 -2.480 8.324 1.00 53.43 H new ATOM 0 HE1 PHE A 38 -5.195 -4.138 4.955 1.00 61.45 H new ATOM 0 HE2 PHE A 38 -7.162 -0.894 6.899 1.00 11.34 H new ATOM 0 HZ PHE A 38 -5.567 -1.716 5.214 1.00 2.33 H new ATOM 631 N LEU A 39 -8.785 -7.542 6.377 1.00 30.15 N ATOM 632 CA LEU A 39 -8.552 -8.299 5.143 1.00 3.34 C ATOM 633 C LEU A 39 -9.873 -8.675 4.449 1.00 62.15 C ATOM 634 O LEU A 39 -9.963 -8.649 3.221 1.00 10.31 O ATOM 635 CB LEU A 39 -7.737 -9.562 5.449 1.00 4.11 C ATOM 636 CG LEU A 39 -6.353 -9.312 6.070 1.00 1.12 C ATOM 637 CD1 LEU A 39 -5.677 -10.634 6.417 1.00 3.45 C ATOM 638 CD2 LEU A 39 -5.474 -8.484 5.132 1.00 23.13 C ATOM 0 H LEU A 39 -8.501 -8.031 7.226 1.00 30.15 H new ATOM 0 HA LEU A 39 -7.990 -7.661 4.461 1.00 3.34 H new ATOM 0 HB2 LEU A 39 -8.313 -10.192 6.127 1.00 4.11 H new ATOM 0 HB3 LEU A 39 -7.607 -10.124 4.524 1.00 4.11 H new ATOM 0 HG LEU A 39 -6.490 -8.744 6.990 1.00 1.12 H new ATOM 0 HD11 LEU A 39 -4.698 -10.438 6.855 1.00 3.45 H new ATOM 0 HD12 LEU A 39 -6.292 -11.181 7.132 1.00 3.45 H new ATOM 0 HD13 LEU A 39 -5.556 -11.230 5.512 1.00 3.45 H new ATOM 0 HD21 LEU A 39 -4.501 -8.321 5.595 1.00 23.13 H new ATOM 0 HD22 LEU A 39 -5.344 -9.017 4.190 1.00 23.13 H new ATOM 0 HD23 LEU A 39 -5.950 -7.522 4.941 1.00 23.13 H new ATOM 650 N ASP A 40 -10.894 -9.013 5.235 1.00 34.44 N ATOM 651 CA ASP A 40 -12.208 -9.368 4.683 1.00 51.51 C ATOM 652 C ASP A 40 -12.793 -8.195 3.873 1.00 45.04 C ATOM 653 O ASP A 40 -13.184 -8.355 2.711 1.00 21.45 O ATOM 654 CB ASP A 40 -13.161 -9.763 5.819 1.00 61.04 C ATOM 655 CG ASP A 40 -14.464 -10.362 5.313 1.00 61.23 C ATOM 656 OD1 ASP A 40 -15.358 -9.598 4.895 1.00 71.35 O ATOM 657 OD2 ASP A 40 -14.600 -11.603 5.341 1.00 64.52 O ATOM 0 H ASP A 40 -10.841 -9.050 6.253 1.00 34.44 H new ATOM 0 HA ASP A 40 -12.087 -10.217 4.010 1.00 51.51 H new ATOM 0 HB2 ASP A 40 -12.664 -10.482 6.470 1.00 61.04 H new ATOM 0 HB3 ASP A 40 -13.381 -8.884 6.425 1.00 61.04 H new ATOM 662 N ASP A 41 -12.831 -7.015 4.492 1.00 42.20 N ATOM 663 CA ASP A 41 -13.294 -5.801 3.815 1.00 1.34 C ATOM 664 C ASP A 41 -12.333 -5.372 2.694 1.00 13.44 C ATOM 665 O ASP A 41 -12.767 -4.900 1.651 1.00 40.24 O ATOM 666 CB ASP A 41 -13.473 -4.659 4.824 1.00 33.41 C ATOM 667 CG ASP A 41 -14.662 -4.886 5.743 1.00 73.40 C ATOM 668 OD1 ASP A 41 -14.511 -5.583 6.765 1.00 4.43 O ATOM 669 OD2 ASP A 41 -15.761 -4.364 5.443 1.00 4.34 O ATOM 0 H ASP A 41 -12.547 -6.873 5.461 1.00 42.20 H new ATOM 0 HA ASP A 41 -14.257 -6.028 3.359 1.00 1.34 H new ATOM 0 HB2 ASP A 41 -12.567 -4.560 5.422 1.00 33.41 H new ATOM 0 HB3 ASP A 41 -13.605 -3.720 4.287 1.00 33.41 H new ATOM 674 N LEU A 42 -11.028 -5.541 2.916 1.00 13.02 N ATOM 675 CA LEU A 42 -10.017 -5.201 1.902 1.00 53.21 C ATOM 676 C LEU A 42 -10.260 -5.967 0.590 1.00 13.51 C ATOM 677 O LEU A 42 -10.464 -5.363 -0.467 1.00 54.32 O ATOM 678 CB LEU A 42 -8.609 -5.513 2.439 1.00 0.14 C ATOM 679 CG LEU A 42 -7.454 -5.307 1.444 1.00 32.32 C ATOM 680 CD1 LEU A 42 -7.370 -3.851 0.996 1.00 10.25 C ATOM 681 CD2 LEU A 42 -6.131 -5.767 2.054 1.00 24.23 C ATOM 0 H LEU A 42 -10.643 -5.910 3.785 1.00 13.02 H new ATOM 0 HA LEU A 42 -10.097 -4.135 1.690 1.00 53.21 H new ATOM 0 HB2 LEU A 42 -8.427 -4.888 3.313 1.00 0.14 H new ATOM 0 HB3 LEU A 42 -8.591 -6.549 2.779 1.00 0.14 H new ATOM 0 HG LEU A 42 -7.654 -5.916 0.562 1.00 32.32 H new ATOM 0 HD11 LEU A 42 -6.545 -3.734 0.293 1.00 10.25 H new ATOM 0 HD12 LEU A 42 -8.303 -3.565 0.511 1.00 10.25 H new ATOM 0 HD13 LEU A 42 -7.201 -3.213 1.863 1.00 10.25 H new ATOM 0 HD21 LEU A 42 -5.326 -5.613 1.335 1.00 24.23 H new ATOM 0 HD22 LEU A 42 -5.927 -5.191 2.956 1.00 24.23 H new ATOM 0 HD23 LEU A 42 -6.195 -6.825 2.306 1.00 24.23 H new ATOM 693 N PHE A 43 -10.258 -7.297 0.679 1.00 2.42 N ATOM 694 CA PHE A 43 -10.480 -8.163 -0.487 1.00 10.23 C ATOM 695 C PHE A 43 -11.832 -7.868 -1.153 1.00 22.11 C ATOM 696 O PHE A 43 -11.907 -7.663 -2.365 1.00 31.04 O ATOM 697 CB PHE A 43 -10.417 -9.646 -0.075 1.00 1.21 C ATOM 698 CG PHE A 43 -9.030 -10.145 0.276 1.00 31.25 C ATOM 699 CD1 PHE A 43 -8.135 -9.356 0.993 1.00 52.11 C ATOM 700 CD2 PHE A 43 -8.626 -11.419 -0.106 1.00 21.22 C ATOM 701 CE1 PHE A 43 -6.874 -9.825 1.316 1.00 14.31 C ATOM 702 CE2 PHE A 43 -7.366 -11.889 0.215 1.00 70.43 C ATOM 703 CZ PHE A 43 -6.491 -11.094 0.927 1.00 51.02 C ATOM 0 H PHE A 43 -10.104 -7.804 1.551 1.00 2.42 H new ATOM 0 HA PHE A 43 -9.689 -7.955 -1.208 1.00 10.23 H new ATOM 0 HB2 PHE A 43 -11.072 -9.799 0.783 1.00 1.21 H new ATOM 0 HB3 PHE A 43 -10.812 -10.253 -0.890 1.00 1.21 H new ATOM 0 HD1 PHE A 43 -8.429 -8.364 1.302 1.00 52.11 H new ATOM 0 HD2 PHE A 43 -9.305 -12.050 -0.661 1.00 21.22 H new ATOM 0 HE1 PHE A 43 -6.190 -9.200 1.871 1.00 14.31 H new ATOM 0 HE2 PHE A 43 -7.066 -12.880 -0.092 1.00 70.43 H new ATOM 0 HZ PHE A 43 -5.508 -11.463 1.180 1.00 51.02 H new ATOM 713 N SER A 44 -12.895 -7.836 -0.348 1.00 5.12 N ATOM 714 CA SER A 44 -14.253 -7.586 -0.855 1.00 35.11 C ATOM 715 C SER A 44 -14.360 -6.221 -1.551 1.00 44.21 C ATOM 716 O SER A 44 -14.880 -6.117 -2.663 1.00 10.24 O ATOM 717 CB SER A 44 -15.277 -7.657 0.290 1.00 13.44 C ATOM 718 OG SER A 44 -15.285 -8.945 0.896 1.00 50.13 O ATOM 0 H SER A 44 -12.846 -7.980 0.661 1.00 5.12 H new ATOM 0 HA SER A 44 -14.470 -8.362 -1.589 1.00 35.11 H new ATOM 0 HB2 SER A 44 -15.041 -6.901 1.039 1.00 13.44 H new ATOM 0 HB3 SER A 44 -16.271 -7.427 -0.093 1.00 13.44 H new ATOM 0 HG SER A 44 -14.599 -8.982 1.595 1.00 50.13 H new ATOM 724 N PHE A 45 -13.860 -5.182 -0.890 1.00 43.31 N ATOM 725 CA PHE A 45 -13.919 -3.816 -1.418 1.00 62.24 C ATOM 726 C PHE A 45 -13.203 -3.686 -2.773 1.00 14.12 C ATOM 727 O PHE A 45 -13.804 -3.255 -3.764 1.00 74.22 O ATOM 728 CB PHE A 45 -13.308 -2.838 -0.405 1.00 25.30 C ATOM 729 CG PHE A 45 -13.228 -1.420 -0.903 1.00 4.21 C ATOM 730 CD1 PHE A 45 -14.381 -0.670 -1.089 1.00 64.44 C ATOM 731 CD2 PHE A 45 -12.001 -0.841 -1.193 1.00 73.50 C ATOM 732 CE1 PHE A 45 -14.310 0.627 -1.553 1.00 74.42 C ATOM 733 CE2 PHE A 45 -11.927 0.456 -1.656 1.00 12.42 C ATOM 734 CZ PHE A 45 -13.081 1.189 -1.836 1.00 53.45 C ATOM 0 H PHE A 45 -13.405 -5.258 0.020 1.00 43.31 H new ATOM 0 HA PHE A 45 -14.969 -3.572 -1.580 1.00 62.24 H new ATOM 0 HB2 PHE A 45 -13.901 -2.859 0.510 1.00 25.30 H new ATOM 0 HB3 PHE A 45 -12.306 -3.179 -0.144 1.00 25.30 H new ATOM 0 HD1 PHE A 45 -15.344 -1.107 -0.868 1.00 64.44 H new ATOM 0 HD2 PHE A 45 -11.095 -1.412 -1.055 1.00 73.50 H new ATOM 0 HE1 PHE A 45 -15.213 1.202 -1.695 1.00 74.42 H new ATOM 0 HE2 PHE A 45 -10.966 0.897 -1.877 1.00 12.42 H new ATOM 0 HZ PHE A 45 -13.023 2.205 -2.199 1.00 53.45 H new ATOM 744 N MET A 46 -11.920 -4.053 -2.821 1.00 65.01 N ATOM 745 CA MET A 46 -11.151 -3.956 -4.065 1.00 5.02 C ATOM 746 C MET A 46 -11.766 -4.849 -5.160 1.00 4.22 C ATOM 747 O MET A 46 -11.830 -4.461 -6.329 1.00 12.32 O ATOM 748 CB MET A 46 -9.668 -4.301 -3.827 1.00 72.43 C ATOM 749 CG MET A 46 -9.416 -5.719 -3.332 1.00 51.32 C ATOM 750 SD MET A 46 -7.672 -6.035 -2.991 1.00 33.22 S ATOM 751 CE MET A 46 -6.954 -5.796 -4.615 1.00 24.51 C ATOM 0 H MET A 46 -11.397 -4.416 -2.024 1.00 65.01 H new ATOM 0 HA MET A 46 -11.197 -2.924 -4.412 1.00 5.02 H new ATOM 0 HB2 MET A 46 -9.121 -4.153 -4.758 1.00 72.43 H new ATOM 0 HB3 MET A 46 -9.258 -3.599 -3.101 1.00 72.43 H new ATOM 0 HG2 MET A 46 -9.997 -5.892 -2.426 1.00 51.32 H new ATOM 0 HG3 MET A 46 -9.771 -6.429 -4.079 1.00 51.32 H new ATOM 0 HE1 MET A 46 -5.897 -6.061 -4.588 1.00 24.51 H new ATOM 0 HE2 MET A 46 -7.469 -6.430 -5.337 1.00 24.51 H new ATOM 0 HE3 MET A 46 -7.059 -4.752 -4.909 1.00 24.51 H new ATOM 761 N GLN A 47 -12.257 -6.021 -4.762 1.00 74.20 N ATOM 762 CA GLN A 47 -12.919 -6.950 -5.684 1.00 23.31 C ATOM 763 C GLN A 47 -14.121 -6.295 -6.385 1.00 55.40 C ATOM 764 O GLN A 47 -14.195 -6.265 -7.618 1.00 21.15 O ATOM 765 CB GLN A 47 -13.376 -8.201 -4.920 1.00 32.05 C ATOM 766 CG GLN A 47 -14.209 -9.174 -5.748 1.00 34.23 C ATOM 767 CD GLN A 47 -14.648 -10.398 -4.960 1.00 52.42 C ATOM 768 OE1 GLN A 47 -14.830 -10.345 -3.747 1.00 2.43 O ATOM 769 NE2 GLN A 47 -14.837 -11.506 -5.645 1.00 32.52 N ATOM 0 H GLN A 47 -12.209 -6.354 -3.799 1.00 74.20 H new ATOM 0 HA GLN A 47 -12.199 -7.230 -6.453 1.00 23.31 H new ATOM 0 HB2 GLN A 47 -12.497 -8.723 -4.543 1.00 32.05 H new ATOM 0 HB3 GLN A 47 -13.958 -7.890 -4.052 1.00 32.05 H new ATOM 0 HG2 GLN A 47 -15.091 -8.657 -6.128 1.00 34.23 H new ATOM 0 HG3 GLN A 47 -13.630 -9.494 -6.614 1.00 34.23 H new ATOM 0 HE21 GLN A 47 -14.677 -11.516 -6.652 1.00 32.52 H new ATOM 0 HE22 GLN A 47 -15.144 -12.354 -5.169 1.00 32.52 H new ATOM 778 N LYS A 48 -15.046 -5.754 -5.593 1.00 33.00 N ATOM 779 CA LYS A 48 -16.290 -5.177 -6.124 1.00 5.33 C ATOM 780 C LYS A 48 -16.037 -3.953 -7.027 1.00 70.22 C ATOM 781 O LYS A 48 -16.791 -3.708 -7.973 1.00 43.13 O ATOM 782 CB LYS A 48 -17.221 -4.782 -4.967 1.00 23.24 C ATOM 783 CG LYS A 48 -17.646 -5.955 -4.086 1.00 63.33 C ATOM 784 CD LYS A 48 -18.562 -5.505 -2.949 1.00 63.30 C ATOM 785 CE LYS A 48 -18.941 -6.661 -2.027 1.00 30.32 C ATOM 786 NZ LYS A 48 -19.852 -6.225 -0.936 1.00 52.31 N ATOM 0 H LYS A 48 -14.961 -5.701 -4.578 1.00 33.00 H new ATOM 0 HA LYS A 48 -16.761 -5.944 -6.739 1.00 5.33 H new ATOM 0 HB2 LYS A 48 -16.719 -4.038 -4.348 1.00 23.24 H new ATOM 0 HB3 LYS A 48 -18.112 -4.307 -5.377 1.00 23.24 H new ATOM 0 HG2 LYS A 48 -18.160 -6.699 -4.694 1.00 63.33 H new ATOM 0 HG3 LYS A 48 -16.761 -6.438 -3.671 1.00 63.33 H new ATOM 0 HD2 LYS A 48 -18.065 -4.727 -2.369 1.00 63.30 H new ATOM 0 HD3 LYS A 48 -19.467 -5.063 -3.366 1.00 63.30 H new ATOM 0 HE2 LYS A 48 -19.422 -7.447 -2.609 1.00 30.32 H new ATOM 0 HE3 LYS A 48 -18.038 -7.092 -1.595 1.00 30.32 H new ATOM 0 HZ1 LYS A 48 -20.085 -7.039 -0.332 1.00 52.31 H new ATOM 0 HZ2 LYS A 48 -19.384 -5.493 -0.364 1.00 52.31 H new ATOM 0 HZ3 LYS A 48 -20.725 -5.837 -1.347 1.00 52.31 H new ATOM 800 N ARG A 49 -14.979 -3.191 -6.742 1.00 30.43 N ATOM 801 CA ARG A 49 -14.696 -1.955 -7.496 1.00 31.54 C ATOM 802 C ARG A 49 -13.857 -2.211 -8.768 1.00 0.33 C ATOM 803 O ARG A 49 -13.498 -1.270 -9.480 1.00 45.32 O ATOM 804 CB ARG A 49 -13.995 -0.933 -6.589 1.00 24.13 C ATOM 805 CG ARG A 49 -12.577 -1.317 -6.198 1.00 4.35 C ATOM 806 CD ARG A 49 -11.998 -0.373 -5.151 1.00 11.32 C ATOM 807 NE ARG A 49 -12.016 1.032 -5.572 1.00 11.15 N ATOM 808 CZ ARG A 49 -11.167 1.568 -6.417 1.00 50.31 C ATOM 809 NH1 ARG A 49 -10.279 0.842 -7.018 1.00 14.34 N ATOM 810 NH2 ARG A 49 -11.208 2.837 -6.656 1.00 33.31 N ATOM 0 H ARG A 49 -14.307 -3.400 -6.004 1.00 30.43 H new ATOM 0 HA ARG A 49 -15.654 -1.554 -7.826 1.00 31.54 H new ATOM 0 HB2 ARG A 49 -13.971 0.031 -7.097 1.00 24.13 H new ATOM 0 HB3 ARG A 49 -14.587 -0.802 -5.683 1.00 24.13 H new ATOM 0 HG2 ARG A 49 -12.571 -2.336 -5.810 1.00 4.35 H new ATOM 0 HG3 ARG A 49 -11.942 -1.309 -7.084 1.00 4.35 H new ATOM 0 HD2 ARG A 49 -12.563 -0.476 -4.225 1.00 11.32 H new ATOM 0 HD3 ARG A 49 -10.972 -0.668 -4.932 1.00 11.32 H new ATOM 0 HE ARG A 49 -12.739 1.635 -5.180 1.00 11.15 H new ATOM 0 HH11 ARG A 49 -10.233 -0.161 -6.837 1.00 14.34 H new ATOM 0 HH12 ARG A 49 -9.626 1.273 -7.672 1.00 14.34 H new ATOM 0 HH21 ARG A 49 -11.900 3.422 -6.188 1.00 33.31 H new ATOM 0 HH22 ARG A 49 -10.548 3.254 -7.313 1.00 33.31 H new ATOM 824 N GLY A 50 -13.544 -3.477 -9.051 1.00 72.13 N ATOM 825 CA GLY A 50 -12.867 -3.821 -10.305 1.00 33.50 C ATOM 826 C GLY A 50 -11.394 -4.216 -10.160 1.00 43.41 C ATOM 827 O GLY A 50 -10.599 -4.014 -11.082 1.00 74.23 O ATOM 0 H GLY A 50 -13.744 -4.270 -8.441 1.00 72.13 H new ATOM 0 HA2 GLY A 50 -13.404 -4.645 -10.776 1.00 33.50 H new ATOM 0 HA3 GLY A 50 -12.934 -2.969 -10.982 1.00 33.50 H new ATOM 831 N THR A 51 -11.019 -4.771 -9.010 1.00 34.31 N ATOM 832 CA THR A 51 -9.660 -5.311 -8.815 1.00 54.44 C ATOM 833 C THR A 51 -9.639 -6.387 -7.711 1.00 11.50 C ATOM 834 O THR A 51 -9.383 -6.100 -6.544 1.00 24.11 O ATOM 835 CB THR A 51 -8.613 -4.199 -8.505 1.00 43.11 C ATOM 836 OG1 THR A 51 -7.355 -4.783 -8.127 1.00 21.34 O ATOM 837 CG2 THR A 51 -9.099 -3.254 -7.409 1.00 5.24 C ATOM 0 H THR A 51 -11.628 -4.862 -8.197 1.00 34.31 H new ATOM 0 HA THR A 51 -9.375 -5.772 -9.761 1.00 54.44 H new ATOM 0 HB THR A 51 -8.479 -3.616 -9.416 1.00 43.11 H new ATOM 0 HG1 THR A 51 -6.708 -4.072 -7.937 1.00 21.34 H new ATOM 0 HG21 THR A 51 -8.341 -2.493 -7.222 1.00 5.24 H new ATOM 0 HG22 THR A 51 -10.025 -2.774 -7.727 1.00 5.24 H new ATOM 0 HG23 THR A 51 -9.279 -3.819 -6.495 1.00 5.24 H new ATOM 845 N PRO A 52 -9.956 -7.648 -8.071 1.00 50.11 N ATOM 846 CA PRO A 52 -10.008 -8.761 -7.107 1.00 75.50 C ATOM 847 C PRO A 52 -8.619 -9.308 -6.733 1.00 23.23 C ATOM 848 O PRO A 52 -7.641 -9.122 -7.461 1.00 1.04 O ATOM 849 CB PRO A 52 -10.818 -9.818 -7.865 1.00 22.04 C ATOM 850 CG PRO A 52 -10.484 -9.581 -9.300 1.00 54.43 C ATOM 851 CD PRO A 52 -10.293 -8.089 -9.442 1.00 1.12 C ATOM 0 HA PRO A 52 -10.439 -8.456 -6.153 1.00 75.50 H new ATOM 0 HB2 PRO A 52 -10.545 -10.826 -7.554 1.00 22.04 H new ATOM 0 HB3 PRO A 52 -11.887 -9.707 -7.682 1.00 22.04 H new ATOM 0 HG2 PRO A 52 -9.580 -10.119 -9.584 1.00 54.43 H new ATOM 0 HG3 PRO A 52 -11.283 -9.936 -9.950 1.00 54.43 H new ATOM 0 HD2 PRO A 52 -9.496 -7.852 -10.146 1.00 1.12 H new ATOM 0 HD3 PRO A 52 -11.197 -7.602 -9.809 1.00 1.12 H new ATOM 859 N VAL A 53 -8.536 -9.994 -5.595 1.00 51.51 N ATOM 860 CA VAL A 53 -7.278 -10.596 -5.149 1.00 41.42 C ATOM 861 C VAL A 53 -7.143 -12.036 -5.665 1.00 33.41 C ATOM 862 O VAL A 53 -7.679 -12.974 -5.071 1.00 71.22 O ATOM 863 CB VAL A 53 -7.158 -10.598 -3.602 1.00 11.11 C ATOM 864 CG1 VAL A 53 -5.797 -11.139 -3.158 1.00 14.24 C ATOM 865 CG2 VAL A 53 -7.398 -9.200 -3.036 1.00 50.33 C ATOM 0 H VAL A 53 -9.323 -10.148 -4.965 1.00 51.51 H new ATOM 0 HA VAL A 53 -6.475 -9.985 -5.561 1.00 41.42 H new ATOM 0 HB VAL A 53 -7.928 -11.260 -3.207 1.00 11.11 H new ATOM 0 HG11 VAL A 53 -5.739 -11.130 -2.070 1.00 14.24 H new ATOM 0 HG12 VAL A 53 -5.676 -12.160 -3.519 1.00 14.24 H new ATOM 0 HG13 VAL A 53 -5.005 -10.513 -3.569 1.00 14.24 H new ATOM 0 HG21 VAL A 53 -7.309 -9.227 -1.950 1.00 50.33 H new ATOM 0 HG22 VAL A 53 -6.659 -8.510 -3.444 1.00 50.33 H new ATOM 0 HG23 VAL A 53 -8.398 -8.863 -3.310 1.00 50.33 H new ATOM 875 N ASN A 54 -6.460 -12.202 -6.795 1.00 61.42 N ATOM 876 CA ASN A 54 -6.195 -13.537 -7.344 1.00 42.11 C ATOM 877 C ASN A 54 -4.993 -14.180 -6.634 1.00 55.54 C ATOM 878 O ASN A 54 -5.104 -15.240 -6.020 1.00 4.42 O ATOM 879 CB ASN A 54 -5.933 -13.453 -8.853 1.00 52.21 C ATOM 880 CG ASN A 54 -6.997 -12.652 -9.581 1.00 53.22 C ATOM 881 OD1 ASN A 54 -6.826 -11.464 -9.849 1.00 13.51 O ATOM 882 ND2 ASN A 54 -8.114 -13.282 -9.879 1.00 33.01 N ATOM 0 H ASN A 54 -6.080 -11.435 -7.349 1.00 61.42 H new ATOM 0 HA ASN A 54 -7.074 -14.159 -7.176 1.00 42.11 H new ATOM 0 HB2 ASN A 54 -4.958 -12.997 -9.025 1.00 52.21 H new ATOM 0 HB3 ASN A 54 -5.892 -14.460 -9.269 1.00 52.21 H new ATOM 0 HD21 ASN A 54 -8.871 -12.784 -10.347 1.00 33.01 H new ATOM 0 HD22 ASN A 54 -8.222 -14.268 -9.642 1.00 33.01 H new ATOM 889 N ARG A 55 -3.848 -13.509 -6.714 1.00 41.45 N ATOM 890 CA ARG A 55 -2.623 -13.956 -6.039 1.00 31.12 C ATOM 891 C ARG A 55 -1.874 -12.765 -5.422 1.00 55.34 C ATOM 892 O ARG A 55 -2.158 -11.611 -5.745 1.00 55.32 O ATOM 893 CB ARG A 55 -1.720 -14.726 -7.017 1.00 44.22 C ATOM 894 CG ARG A 55 -1.546 -14.048 -8.375 1.00 21.32 C ATOM 895 CD ARG A 55 -0.638 -14.856 -9.299 1.00 50.31 C ATOM 896 NE ARG A 55 -1.055 -16.257 -9.392 1.00 30.22 N ATOM 897 CZ ARG A 55 -1.124 -16.942 -10.503 1.00 53.04 C ATOM 898 NH1 ARG A 55 -0.902 -16.384 -11.647 1.00 72.32 N ATOM 899 NH2 ARG A 55 -1.443 -18.189 -10.466 1.00 3.43 N ATOM 0 H ARG A 55 -3.738 -12.645 -7.244 1.00 41.45 H new ATOM 0 HA ARG A 55 -2.903 -14.631 -5.230 1.00 31.12 H new ATOM 0 HB2 ARG A 55 -0.739 -14.858 -6.561 1.00 44.22 H new ATOM 0 HB3 ARG A 55 -2.136 -15.722 -7.171 1.00 44.22 H new ATOM 0 HG2 ARG A 55 -2.521 -13.919 -8.845 1.00 21.32 H new ATOM 0 HG3 ARG A 55 -1.127 -13.052 -8.233 1.00 21.32 H new ATOM 0 HD2 ARG A 55 -0.643 -14.410 -10.293 1.00 50.31 H new ATOM 0 HD3 ARG A 55 0.388 -14.807 -8.933 1.00 50.31 H new ATOM 0 HE ARG A 55 -1.310 -16.733 -8.527 1.00 30.22 H new ATOM 0 HH11 ARG A 55 -0.668 -15.392 -11.694 1.00 72.32 H new ATOM 0 HH12 ARG A 55 -0.961 -16.935 -12.503 1.00 72.32 H new ATOM 0 HH21 ARG A 55 -1.641 -18.639 -9.572 1.00 3.43 H new ATOM 0 HH22 ARG A 55 -1.498 -18.727 -11.331 1.00 3.43 H new ATOM 913 N ILE A 56 -0.922 -13.054 -4.536 1.00 74.45 N ATOM 914 CA ILE A 56 -0.205 -12.011 -3.783 1.00 32.31 C ATOM 915 C ILE A 56 1.301 -12.006 -4.123 1.00 14.33 C ATOM 916 O ILE A 56 1.924 -13.066 -4.213 1.00 10.23 O ATOM 917 CB ILE A 56 -0.383 -12.228 -2.253 1.00 22.40 C ATOM 918 CG1 ILE A 56 -1.879 -12.306 -1.893 1.00 4.12 C ATOM 919 CG2 ILE A 56 0.304 -11.117 -1.458 1.00 34.10 C ATOM 920 CD1 ILE A 56 -2.144 -12.593 -0.430 1.00 40.13 C ATOM 0 H ILE A 56 -0.624 -14.005 -4.317 1.00 74.45 H new ATOM 0 HA ILE A 56 -0.631 -11.050 -4.070 1.00 32.31 H new ATOM 0 HB ILE A 56 0.089 -13.173 -1.986 1.00 22.40 H new ATOM 0 HG12 ILE A 56 -2.357 -11.363 -2.161 1.00 4.12 H new ATOM 0 HG13 ILE A 56 -2.348 -13.083 -2.496 1.00 4.12 H new ATOM 0 HG21 ILE A 56 0.164 -11.293 -0.391 1.00 34.10 H new ATOM 0 HG22 ILE A 56 1.369 -11.110 -1.688 1.00 34.10 H new ATOM 0 HG23 ILE A 56 -0.131 -10.155 -1.727 1.00 34.10 H new ATOM 0 HD11 ILE A 56 -3.219 -12.633 -0.256 1.00 40.13 H new ATOM 0 HD12 ILE A 56 -1.697 -13.550 -0.160 1.00 40.13 H new ATOM 0 HD13 ILE A 56 -1.706 -11.803 0.181 1.00 40.13 H new ATOM 932 N PRO A 57 1.908 -10.814 -4.326 1.00 54.25 N ATOM 933 CA PRO A 57 3.353 -10.697 -4.605 1.00 4.21 C ATOM 934 C PRO A 57 4.237 -11.219 -3.453 1.00 72.23 C ATOM 935 O PRO A 57 4.089 -10.809 -2.297 1.00 41.32 O ATOM 936 CB PRO A 57 3.562 -9.183 -4.804 1.00 31.35 C ATOM 937 CG PRO A 57 2.398 -8.546 -4.122 1.00 31.15 C ATOM 938 CD PRO A 57 1.247 -9.495 -4.314 1.00 61.21 C ATOM 0 HA PRO A 57 3.642 -11.300 -5.466 1.00 4.21 H new ATOM 0 HB2 PRO A 57 4.505 -8.853 -4.368 1.00 31.35 H new ATOM 0 HB3 PRO A 57 3.591 -8.923 -5.862 1.00 31.35 H new ATOM 0 HG2 PRO A 57 2.603 -8.388 -3.063 1.00 31.15 H new ATOM 0 HG3 PRO A 57 2.177 -7.570 -4.554 1.00 31.15 H new ATOM 0 HD2 PRO A 57 0.518 -9.415 -3.507 1.00 61.21 H new ATOM 0 HD3 PRO A 57 0.714 -9.301 -5.245 1.00 61.21 H new ATOM 946 N ILE A 58 5.156 -12.128 -3.781 1.00 34.43 N ATOM 947 CA ILE A 58 6.078 -12.701 -2.793 1.00 21.12 C ATOM 948 C ILE A 58 7.428 -11.965 -2.799 1.00 61.55 C ATOM 949 O ILE A 58 8.126 -11.926 -3.818 1.00 21.50 O ATOM 950 CB ILE A 58 6.309 -14.215 -3.063 1.00 63.03 C ATOM 951 CG1 ILE A 58 4.979 -14.985 -2.980 1.00 41.20 C ATOM 952 CG2 ILE A 58 7.331 -14.798 -2.087 1.00 73.41 C ATOM 953 CD1 ILE A 58 4.311 -14.923 -1.621 1.00 51.21 C ATOM 0 H ILE A 58 5.284 -12.486 -4.727 1.00 34.43 H new ATOM 0 HA ILE A 58 5.619 -12.580 -1.812 1.00 21.12 H new ATOM 0 HB ILE A 58 6.710 -14.322 -4.071 1.00 63.03 H new ATOM 0 HG12 ILE A 58 4.294 -14.586 -3.728 1.00 41.20 H new ATOM 0 HG13 ILE A 58 5.159 -16.029 -3.237 1.00 41.20 H new ATOM 0 HG21 ILE A 58 7.473 -15.858 -2.299 1.00 73.41 H new ATOM 0 HG22 ILE A 58 8.281 -14.275 -2.199 1.00 73.41 H new ATOM 0 HG23 ILE A 58 6.969 -14.677 -1.066 1.00 73.41 H new ATOM 0 HD11 ILE A 58 3.381 -15.490 -1.647 1.00 51.21 H new ATOM 0 HD12 ILE A 58 4.975 -15.349 -0.869 1.00 51.21 H new ATOM 0 HD13 ILE A 58 4.096 -13.885 -1.368 1.00 51.21 H new ATOM 965 N MET A 59 7.791 -11.387 -1.658 1.00 24.23 N ATOM 966 CA MET A 59 9.046 -10.638 -1.519 1.00 31.20 C ATOM 967 C MET A 59 9.854 -11.157 -0.322 1.00 21.24 C ATOM 968 O MET A 59 9.286 -11.481 0.718 1.00 42.24 O ATOM 969 CB MET A 59 8.746 -9.140 -1.351 1.00 11.55 C ATOM 970 CG MET A 59 9.989 -8.279 -1.163 1.00 21.15 C ATOM 971 SD MET A 59 9.615 -6.519 -1.053 1.00 1.23 S ATOM 972 CE MET A 59 8.926 -6.209 -2.676 1.00 13.24 C ATOM 0 H MET A 59 7.231 -11.421 -0.806 1.00 24.23 H new ATOM 0 HA MET A 59 9.640 -10.781 -2.421 1.00 31.20 H new ATOM 0 HB2 MET A 59 8.201 -8.788 -2.227 1.00 11.55 H new ATOM 0 HB3 MET A 59 8.089 -9.005 -0.492 1.00 11.55 H new ATOM 0 HG2 MET A 59 10.508 -8.592 -0.257 1.00 21.15 H new ATOM 0 HG3 MET A 59 10.671 -8.449 -1.996 1.00 21.15 H new ATOM 0 HE1 MET A 59 8.976 -5.142 -2.895 1.00 13.24 H new ATOM 0 HE2 MET A 59 9.496 -6.760 -3.424 1.00 13.24 H new ATOM 0 HE3 MET A 59 7.886 -6.536 -2.698 1.00 13.24 H new ATOM 982 N ALA A 60 11.178 -11.249 -0.482 1.00 2.10 N ATOM 983 CA ALA A 60 12.062 -11.742 0.584 1.00 0.35 C ATOM 984 C ALA A 60 11.696 -13.179 1.000 1.00 42.23 C ATOM 985 O ALA A 60 11.873 -13.563 2.158 1.00 73.11 O ATOM 986 CB ALA A 60 12.018 -10.799 1.787 1.00 34.11 C ATOM 0 H ALA A 60 11.664 -10.989 -1.340 1.00 2.10 H new ATOM 0 HA ALA A 60 13.080 -11.764 0.195 1.00 0.35 H new ATOM 0 HB1 ALA A 60 12.677 -11.176 2.569 1.00 34.11 H new ATOM 0 HB2 ALA A 60 12.347 -9.805 1.483 1.00 34.11 H new ATOM 0 HB3 ALA A 60 10.998 -10.743 2.168 1.00 34.11 H new ATOM 992 N LYS A 61 11.203 -13.966 0.033 1.00 45.22 N ATOM 993 CA LYS A 61 10.778 -15.358 0.267 1.00 34.53 C ATOM 994 C LYS A 61 9.498 -15.460 1.118 1.00 75.41 C ATOM 995 O LYS A 61 9.087 -16.564 1.490 1.00 54.30 O ATOM 996 CB LYS A 61 11.907 -16.181 0.917 1.00 23.43 C ATOM 997 CG LYS A 61 13.046 -16.537 -0.032 1.00 4.45 C ATOM 998 CD LYS A 61 12.619 -17.544 -1.104 1.00 34.02 C ATOM 999 CE LYS A 61 12.279 -18.924 -0.526 1.00 1.35 C ATOM 1000 NZ LYS A 61 10.962 -18.952 0.175 1.00 25.03 N ATOM 0 H LYS A 61 11.087 -13.658 -0.933 1.00 45.22 H new ATOM 0 HA LYS A 61 10.549 -15.772 -0.715 1.00 34.53 H new ATOM 0 HB2 LYS A 61 12.312 -15.620 1.759 1.00 23.43 H new ATOM 0 HB3 LYS A 61 11.485 -17.101 1.321 1.00 23.43 H new ATOM 0 HG2 LYS A 61 13.411 -15.630 -0.514 1.00 4.45 H new ATOM 0 HG3 LYS A 61 13.877 -16.950 0.540 1.00 4.45 H new ATOM 0 HD2 LYS A 61 11.751 -17.155 -1.636 1.00 34.02 H new ATOM 0 HD3 LYS A 61 13.420 -17.650 -1.836 1.00 34.02 H new ATOM 0 HE2 LYS A 61 12.272 -19.658 -1.332 1.00 1.35 H new ATOM 0 HE3 LYS A 61 13.062 -19.223 0.171 1.00 1.35 H new ATOM 0 HZ1 LYS A 61 11.116 -18.969 1.203 1.00 25.03 H new ATOM 0 HZ2 LYS A 61 10.416 -18.104 -0.079 1.00 25.03 H new ATOM 0 HZ3 LYS A 61 10.435 -19.802 -0.110 1.00 25.03 H new ATOM 1014 N GLN A 62 8.860 -14.327 1.413 1.00 11.31 N ATOM 1015 CA GLN A 62 7.620 -14.322 2.203 1.00 13.43 C ATOM 1016 C GLN A 62 6.503 -13.550 1.488 1.00 30.33 C ATOM 1017 O GLN A 62 6.724 -12.915 0.456 1.00 24.33 O ATOM 1018 CB GLN A 62 7.858 -13.704 3.592 1.00 34.54 C ATOM 1019 CG GLN A 62 8.251 -12.230 3.555 1.00 32.01 C ATOM 1020 CD GLN A 62 8.240 -11.586 4.931 1.00 33.02 C ATOM 1021 OE1 GLN A 62 9.239 -11.601 5.645 1.00 35.15 O ATOM 1022 NE2 GLN A 62 7.114 -11.007 5.312 1.00 73.32 N ATOM 0 H GLN A 62 9.176 -13.403 1.120 1.00 11.31 H new ATOM 0 HA GLN A 62 7.309 -15.360 2.319 1.00 13.43 H new ATOM 0 HB2 GLN A 62 6.951 -13.813 4.187 1.00 34.54 H new ATOM 0 HB3 GLN A 62 8.642 -14.266 4.099 1.00 34.54 H new ATOM 0 HG2 GLN A 62 9.246 -12.134 3.121 1.00 32.01 H new ATOM 0 HG3 GLN A 62 7.565 -11.692 2.901 1.00 32.01 H new ATOM 0 HE21 GLN A 62 6.303 -11.013 4.694 1.00 73.32 H new ATOM 0 HE22 GLN A 62 7.057 -10.554 6.224 1.00 73.32 H new ATOM 1031 N VAL A 63 5.302 -13.616 2.051 1.00 15.44 N ATOM 1032 CA VAL A 63 4.165 -12.852 1.542 1.00 44.35 C ATOM 1033 C VAL A 63 4.227 -11.397 2.029 1.00 53.20 C ATOM 1034 O VAL A 63 4.595 -11.130 3.173 1.00 2.11 O ATOM 1035 CB VAL A 63 2.819 -13.499 1.972 1.00 71.54 C ATOM 1036 CG1 VAL A 63 2.734 -13.649 3.492 1.00 43.04 C ATOM 1037 CG2 VAL A 63 1.632 -12.700 1.438 1.00 62.31 C ATOM 0 H VAL A 63 5.088 -14.193 2.864 1.00 15.44 H new ATOM 0 HA VAL A 63 4.220 -12.862 0.453 1.00 44.35 H new ATOM 0 HB VAL A 63 2.779 -14.497 1.536 1.00 71.54 H new ATOM 0 HG11 VAL A 63 1.781 -14.105 3.760 1.00 43.04 H new ATOM 0 HG12 VAL A 63 3.550 -14.282 3.841 1.00 43.04 H new ATOM 0 HG13 VAL A 63 2.811 -12.667 3.959 1.00 43.04 H new ATOM 0 HG21 VAL A 63 0.703 -13.174 1.753 1.00 62.31 H new ATOM 0 HG22 VAL A 63 1.672 -11.684 1.830 1.00 62.31 H new ATOM 0 HG23 VAL A 63 1.673 -12.671 0.349 1.00 62.31 H new ATOM 1047 N LEU A 64 3.891 -10.464 1.147 1.00 72.23 N ATOM 1048 CA LEU A 64 3.913 -9.039 1.481 1.00 2.30 C ATOM 1049 C LEU A 64 2.770 -8.675 2.451 1.00 50.23 C ATOM 1050 O LEU A 64 1.595 -8.668 2.067 1.00 73.20 O ATOM 1051 CB LEU A 64 3.815 -8.212 0.187 1.00 64.24 C ATOM 1052 CG LEU A 64 4.074 -6.702 0.337 1.00 63.13 C ATOM 1053 CD1 LEU A 64 5.461 -6.450 0.923 1.00 1.44 C ATOM 1054 CD2 LEU A 64 3.920 -5.996 -1.010 1.00 23.03 C ATOM 0 H LEU A 64 3.599 -10.666 0.191 1.00 72.23 H new ATOM 0 HA LEU A 64 4.852 -8.810 1.985 1.00 2.30 H new ATOM 0 HB2 LEU A 64 4.527 -8.614 -0.534 1.00 64.24 H new ATOM 0 HB3 LEU A 64 2.820 -8.351 -0.236 1.00 64.24 H new ATOM 0 HG LEU A 64 3.334 -6.293 1.025 1.00 63.13 H new ATOM 0 HD11 LEU A 64 5.625 -5.377 1.021 1.00 1.44 H new ATOM 0 HD12 LEU A 64 5.532 -6.919 1.904 1.00 1.44 H new ATOM 0 HD13 LEU A 64 6.218 -6.874 0.262 1.00 1.44 H new ATOM 0 HD21 LEU A 64 4.107 -4.929 -0.885 1.00 23.03 H new ATOM 0 HD22 LEU A 64 4.636 -6.409 -1.721 1.00 23.03 H new ATOM 0 HD23 LEU A 64 2.908 -6.146 -1.386 1.00 23.03 H new ATOM 1066 N ASP A 65 3.124 -8.403 3.712 1.00 42.01 N ATOM 1067 CA ASP A 65 2.147 -8.026 4.745 1.00 23.15 C ATOM 1068 C ASP A 65 1.280 -6.825 4.313 1.00 61.11 C ATOM 1069 O ASP A 65 1.617 -5.676 4.589 1.00 24.44 O ATOM 1070 CB ASP A 65 2.868 -7.681 6.056 1.00 74.53 C ATOM 1071 CG ASP A 65 3.676 -8.838 6.615 1.00 64.23 C ATOM 1072 OD1 ASP A 65 4.684 -9.219 5.984 1.00 30.03 O ATOM 1073 OD2 ASP A 65 3.308 -9.358 7.689 1.00 11.12 O ATOM 0 H ASP A 65 4.087 -8.437 4.046 1.00 42.01 H new ATOM 0 HA ASP A 65 1.490 -8.883 4.892 1.00 23.15 H new ATOM 0 HB2 ASP A 65 3.530 -6.832 5.887 1.00 74.53 H new ATOM 0 HB3 ASP A 65 2.132 -7.369 6.797 1.00 74.53 H new ATOM 1078 N LEU A 66 0.166 -7.102 3.634 1.00 20.14 N ATOM 1079 CA LEU A 66 -0.750 -6.046 3.170 1.00 64.45 C ATOM 1080 C LEU A 66 -1.233 -5.148 4.326 1.00 24.35 C ATOM 1081 O LEU A 66 -1.271 -3.924 4.197 1.00 75.23 O ATOM 1082 CB LEU A 66 -1.956 -6.669 2.448 1.00 52.35 C ATOM 1083 CG LEU A 66 -1.622 -7.472 1.177 1.00 1.43 C ATOM 1084 CD1 LEU A 66 -2.889 -8.068 0.569 1.00 32.00 C ATOM 1085 CD2 LEU A 66 -0.893 -6.594 0.157 1.00 34.11 C ATOM 0 H LEU A 66 -0.128 -8.048 3.390 1.00 20.14 H new ATOM 0 HA LEU A 66 -0.195 -5.416 2.475 1.00 64.45 H new ATOM 0 HB2 LEU A 66 -2.476 -7.325 3.146 1.00 52.35 H new ATOM 0 HB3 LEU A 66 -2.650 -5.872 2.182 1.00 52.35 H new ATOM 0 HG LEU A 66 -0.959 -8.291 1.455 1.00 1.43 H new ATOM 0 HD11 LEU A 66 -2.632 -8.631 -0.328 1.00 32.00 H new ATOM 0 HD12 LEU A 66 -3.362 -8.733 1.292 1.00 32.00 H new ATOM 0 HD13 LEU A 66 -3.579 -7.266 0.308 1.00 32.00 H new ATOM 0 HD21 LEU A 66 -0.667 -7.181 -0.733 1.00 34.11 H new ATOM 0 HD22 LEU A 66 -1.527 -5.751 -0.116 1.00 34.11 H new ATOM 0 HD23 LEU A 66 0.035 -6.224 0.593 1.00 34.11 H new ATOM 1097 N PHE A 67 -1.593 -5.765 5.454 1.00 41.23 N ATOM 1098 CA PHE A 67 -2.076 -5.019 6.627 1.00 53.00 C ATOM 1099 C PHE A 67 -1.023 -4.011 7.128 1.00 35.14 C ATOM 1100 O PHE A 67 -1.311 -2.824 7.300 1.00 14.54 O ATOM 1101 CB PHE A 67 -2.444 -6.005 7.752 1.00 20.51 C ATOM 1102 CG PHE A 67 -3.004 -5.353 8.997 1.00 13.22 C ATOM 1103 CD1 PHE A 67 -4.368 -5.135 9.129 1.00 12.24 C ATOM 1104 CD2 PHE A 67 -2.168 -4.960 10.036 1.00 65.12 C ATOM 1105 CE1 PHE A 67 -4.885 -4.542 10.266 1.00 14.41 C ATOM 1106 CE2 PHE A 67 -2.681 -4.366 11.174 1.00 30.24 C ATOM 1107 CZ PHE A 67 -4.041 -4.156 11.290 1.00 72.31 C ATOM 0 H PHE A 67 -1.561 -6.776 5.584 1.00 41.23 H new ATOM 0 HA PHE A 67 -2.960 -4.455 6.331 1.00 53.00 H new ATOM 0 HB2 PHE A 67 -3.175 -6.717 7.369 1.00 20.51 H new ATOM 0 HB3 PHE A 67 -1.556 -6.575 8.024 1.00 20.51 H new ATOM 0 HD1 PHE A 67 -5.035 -5.432 8.333 1.00 12.24 H new ATOM 0 HD2 PHE A 67 -1.103 -5.121 9.953 1.00 65.12 H new ATOM 0 HE1 PHE A 67 -5.949 -4.380 10.354 1.00 14.41 H new ATOM 0 HE2 PHE A 67 -2.018 -4.066 11.972 1.00 30.24 H new ATOM 0 HZ PHE A 67 -4.444 -3.692 12.178 1.00 72.31 H new ATOM 1117 N MET A 68 0.204 -4.486 7.330 1.00 54.54 N ATOM 1118 CA MET A 68 1.285 -3.636 7.841 1.00 25.04 C ATOM 1119 C MET A 68 1.730 -2.612 6.783 1.00 20.53 C ATOM 1120 O MET A 68 1.993 -1.453 7.097 1.00 62.21 O ATOM 1121 CB MET A 68 2.474 -4.499 8.282 1.00 54.30 C ATOM 1122 CG MET A 68 2.097 -5.610 9.255 1.00 21.14 C ATOM 1123 SD MET A 68 1.266 -4.999 10.739 1.00 75.30 S ATOM 1124 CE MET A 68 2.556 -3.991 11.471 1.00 21.41 C ATOM 0 H MET A 68 0.477 -5.452 7.149 1.00 54.54 H new ATOM 0 HA MET A 68 0.908 -3.087 8.704 1.00 25.04 H new ATOM 0 HB2 MET A 68 2.937 -4.942 7.400 1.00 54.30 H new ATOM 0 HB3 MET A 68 3.223 -3.859 8.748 1.00 54.30 H new ATOM 0 HG2 MET A 68 1.446 -6.323 8.749 1.00 21.14 H new ATOM 0 HG3 MET A 68 2.997 -6.151 9.546 1.00 21.14 H new ATOM 0 HE1 MET A 68 2.282 -3.736 12.495 1.00 21.41 H new ATOM 0 HE2 MET A 68 3.494 -4.546 11.474 1.00 21.41 H new ATOM 0 HE3 MET A 68 2.677 -3.077 10.890 1.00 21.41 H new ATOM 1134 N LEU A 69 1.805 -3.056 5.528 1.00 74.52 N ATOM 1135 CA LEU A 69 2.152 -2.180 4.402 1.00 65.54 C ATOM 1136 C LEU A 69 1.221 -0.959 4.351 1.00 71.12 C ATOM 1137 O LEU A 69 1.666 0.176 4.170 1.00 42.11 O ATOM 1138 CB LEU A 69 2.062 -2.968 3.084 1.00 3.41 C ATOM 1139 CG LEU A 69 2.540 -2.222 1.826 1.00 42.22 C ATOM 1140 CD1 LEU A 69 4.024 -1.892 1.931 1.00 75.44 C ATOM 1141 CD2 LEU A 69 2.252 -3.040 0.567 1.00 55.02 C ATOM 0 H LEU A 69 1.629 -4.025 5.262 1.00 74.52 H new ATOM 0 HA LEU A 69 3.173 -1.824 4.541 1.00 65.54 H new ATOM 0 HB2 LEU A 69 2.648 -3.881 3.187 1.00 3.41 H new ATOM 0 HB3 LEU A 69 1.026 -3.270 2.933 1.00 3.41 H new ATOM 0 HG LEU A 69 1.987 -1.286 1.753 1.00 42.22 H new ATOM 0 HD11 LEU A 69 4.344 -1.365 1.032 1.00 75.44 H new ATOM 0 HD12 LEU A 69 4.196 -1.261 2.803 1.00 75.44 H new ATOM 0 HD13 LEU A 69 4.596 -2.815 2.033 1.00 75.44 H new ATOM 0 HD21 LEU A 69 2.599 -2.493 -0.310 1.00 55.02 H new ATOM 0 HD22 LEU A 69 2.772 -3.996 0.627 1.00 55.02 H new ATOM 0 HD23 LEU A 69 1.179 -3.215 0.485 1.00 55.02 H new ATOM 1153 N TYR A 70 -0.076 -1.207 4.523 1.00 32.21 N ATOM 1154 CA TYR A 70 -1.076 -0.138 4.550 1.00 2.35 C ATOM 1155 C TYR A 70 -0.780 0.874 5.672 1.00 71.12 C ATOM 1156 O TYR A 70 -0.744 2.085 5.438 1.00 40.41 O ATOM 1157 CB TYR A 70 -2.479 -0.737 4.729 1.00 62.22 C ATOM 1158 CG TYR A 70 -3.603 0.283 4.656 1.00 14.25 C ATOM 1159 CD1 TYR A 70 -4.036 0.784 3.432 1.00 44.42 C ATOM 1160 CD2 TYR A 70 -4.230 0.744 5.810 1.00 41.41 C ATOM 1161 CE1 TYR A 70 -5.058 1.712 3.362 1.00 21.30 C ATOM 1162 CE2 TYR A 70 -5.252 1.671 5.745 1.00 62.45 C ATOM 1163 CZ TYR A 70 -5.662 2.152 4.519 1.00 2.23 C ATOM 1164 OH TYR A 70 -6.683 3.074 4.451 1.00 25.14 O ATOM 0 H TYR A 70 -0.462 -2.143 4.646 1.00 32.21 H new ATOM 0 HA TYR A 70 -1.032 0.394 3.600 1.00 2.35 H new ATOM 0 HB2 TYR A 70 -2.640 -1.494 3.962 1.00 62.22 H new ATOM 0 HB3 TYR A 70 -2.525 -1.245 5.692 1.00 62.22 H new ATOM 0 HD1 TYR A 70 -3.566 0.442 2.522 1.00 44.42 H new ATOM 0 HD2 TYR A 70 -3.912 0.371 6.772 1.00 41.41 H new ATOM 0 HE1 TYR A 70 -5.382 2.091 2.404 1.00 21.30 H new ATOM 0 HE2 TYR A 70 -5.728 2.018 6.650 1.00 62.45 H new ATOM 0 HH TYR A 70 -7.252 2.876 3.678 1.00 25.14 H new ATOM 1174 N VAL A 71 -0.555 0.365 6.884 1.00 2.33 N ATOM 1175 CA VAL A 71 -0.266 1.218 8.045 1.00 71.23 C ATOM 1176 C VAL A 71 0.997 2.074 7.830 1.00 64.13 C ATOM 1177 O VAL A 71 0.941 3.303 7.897 1.00 73.42 O ATOM 1178 CB VAL A 71 -0.093 0.371 9.332 1.00 70.23 C ATOM 1179 CG1 VAL A 71 0.192 1.263 10.542 1.00 62.50 C ATOM 1180 CG2 VAL A 71 -1.325 -0.503 9.574 1.00 53.33 C ATOM 0 H VAL A 71 -0.567 -0.634 7.091 1.00 2.33 H new ATOM 0 HA VAL A 71 -1.122 1.883 8.161 1.00 71.23 H new ATOM 0 HB VAL A 71 0.766 -0.285 9.192 1.00 70.23 H new ATOM 0 HG11 VAL A 71 0.309 0.644 11.431 1.00 62.50 H new ATOM 0 HG12 VAL A 71 1.108 1.828 10.370 1.00 62.50 H new ATOM 0 HG13 VAL A 71 -0.638 1.954 10.688 1.00 62.50 H new ATOM 0 HG21 VAL A 71 -1.183 -1.089 10.482 1.00 53.33 H new ATOM 0 HG22 VAL A 71 -2.205 0.131 9.685 1.00 53.33 H new ATOM 0 HG23 VAL A 71 -1.467 -1.175 8.727 1.00 53.33 H new ATOM 1190 N LEU A 72 2.123 1.419 7.540 1.00 73.14 N ATOM 1191 CA LEU A 72 3.415 2.107 7.393 1.00 11.10 C ATOM 1192 C LEU A 72 3.383 3.224 6.331 1.00 34.11 C ATOM 1193 O LEU A 72 4.066 4.243 6.477 1.00 51.02 O ATOM 1194 CB LEU A 72 4.529 1.098 7.065 1.00 24.12 C ATOM 1195 CG LEU A 72 5.169 0.394 8.277 1.00 20.40 C ATOM 1196 CD1 LEU A 72 5.804 1.415 9.217 1.00 55.11 C ATOM 1197 CD2 LEU A 72 4.150 -0.463 9.027 1.00 63.41 C ATOM 0 H LEU A 72 2.170 0.410 7.401 1.00 73.14 H new ATOM 0 HA LEU A 72 3.624 2.583 8.351 1.00 11.10 H new ATOM 0 HB2 LEU A 72 4.121 0.337 6.400 1.00 24.12 H new ATOM 0 HB3 LEU A 72 5.313 1.617 6.513 1.00 24.12 H new ATOM 0 HG LEU A 72 5.949 -0.268 7.902 1.00 20.40 H new ATOM 0 HD11 LEU A 72 6.251 0.899 10.067 1.00 55.11 H new ATOM 0 HD12 LEU A 72 6.575 1.970 8.683 1.00 55.11 H new ATOM 0 HD13 LEU A 72 5.040 2.106 9.573 1.00 55.11 H new ATOM 0 HD21 LEU A 72 4.635 -0.945 9.876 1.00 63.41 H new ATOM 0 HD22 LEU A 72 3.336 0.168 9.384 1.00 63.41 H new ATOM 0 HD23 LEU A 72 3.751 -1.224 8.357 1.00 63.41 H new ATOM 1209 N VAL A 73 2.607 3.030 5.266 1.00 10.24 N ATOM 1210 CA VAL A 73 2.484 4.036 4.204 1.00 13.03 C ATOM 1211 C VAL A 73 1.522 5.175 4.598 1.00 52.34 C ATOM 1212 O VAL A 73 1.847 6.355 4.446 1.00 55.22 O ATOM 1213 CB VAL A 73 2.010 3.394 2.874 1.00 3.53 C ATOM 1214 CG1 VAL A 73 1.752 4.458 1.807 1.00 3.42 C ATOM 1215 CG2 VAL A 73 3.033 2.367 2.380 1.00 2.31 C ATOM 0 H VAL A 73 2.053 2.187 5.113 1.00 10.24 H new ATOM 0 HA VAL A 73 3.478 4.460 4.061 1.00 13.03 H new ATOM 0 HB VAL A 73 1.068 2.880 3.065 1.00 3.53 H new ATOM 0 HG11 VAL A 73 1.421 3.977 0.886 1.00 3.42 H new ATOM 0 HG12 VAL A 73 0.980 5.144 2.156 1.00 3.42 H new ATOM 0 HG13 VAL A 73 2.671 5.013 1.617 1.00 3.42 H new ATOM 0 HG21 VAL A 73 2.684 1.926 1.446 1.00 2.31 H new ATOM 0 HG22 VAL A 73 3.991 2.859 2.214 1.00 2.31 H new ATOM 0 HG23 VAL A 73 3.152 1.584 3.128 1.00 2.31 H new ATOM 1225 N THR A 74 0.344 4.822 5.117 1.00 13.33 N ATOM 1226 CA THR A 74 -0.673 5.824 5.477 1.00 12.51 C ATOM 1227 C THR A 74 -0.186 6.778 6.576 1.00 34.10 C ATOM 1228 O THR A 74 -0.406 7.987 6.496 1.00 23.12 O ATOM 1229 CB THR A 74 -1.999 5.171 5.933 1.00 11.54 C ATOM 1230 OG1 THR A 74 -1.760 4.264 7.021 1.00 71.40 O ATOM 1231 CG2 THR A 74 -2.672 4.432 4.779 1.00 14.02 C ATOM 0 H THR A 74 0.068 3.857 5.298 1.00 13.33 H new ATOM 0 HA THR A 74 -0.852 6.396 4.566 1.00 12.51 H new ATOM 0 HB THR A 74 -2.666 5.965 6.269 1.00 11.54 H new ATOM 0 HG1 THR A 74 -1.397 3.423 6.672 1.00 71.40 H new ATOM 0 HG21 THR A 74 -3.602 3.983 5.128 1.00 14.02 H new ATOM 0 HG22 THR A 74 -2.888 5.134 3.974 1.00 14.02 H new ATOM 0 HG23 THR A 74 -2.007 3.651 4.410 1.00 14.02 H new ATOM 1239 N GLU A 75 0.487 6.234 7.593 1.00 52.13 N ATOM 1240 CA GLU A 75 1.001 7.042 8.714 1.00 22.25 C ATOM 1241 C GLU A 75 1.977 8.140 8.245 1.00 44.15 C ATOM 1242 O GLU A 75 2.176 9.145 8.933 1.00 72.44 O ATOM 1243 CB GLU A 75 1.702 6.144 9.743 1.00 63.12 C ATOM 1244 CG GLU A 75 2.936 5.436 9.196 1.00 24.13 C ATOM 1245 CD GLU A 75 3.679 4.638 10.255 1.00 22.42 C ATOM 1246 OE1 GLU A 75 3.276 3.498 10.540 1.00 4.21 O ATOM 1247 OE2 GLU A 75 4.681 5.152 10.800 1.00 53.41 O ATOM 0 H GLU A 75 0.691 5.237 7.668 1.00 52.13 H new ATOM 0 HA GLU A 75 0.141 7.531 9.172 1.00 22.25 H new ATOM 0 HB2 GLU A 75 1.992 6.748 10.603 1.00 63.12 H new ATOM 0 HB3 GLU A 75 0.994 5.397 10.102 1.00 63.12 H new ATOM 0 HG2 GLU A 75 2.637 4.768 8.388 1.00 24.13 H new ATOM 0 HG3 GLU A 75 3.611 6.175 8.765 1.00 24.13 H new ATOM 1254 N LYS A 76 2.594 7.942 7.078 1.00 75.22 N ATOM 1255 CA LYS A 76 3.559 8.912 6.546 1.00 4.20 C ATOM 1256 C LYS A 76 2.860 10.116 5.895 1.00 40.11 C ATOM 1257 O LYS A 76 3.410 11.214 5.864 1.00 72.44 O ATOM 1258 CB LYS A 76 4.488 8.231 5.529 1.00 14.01 C ATOM 1259 CG LYS A 76 5.350 7.121 6.128 1.00 43.55 C ATOM 1260 CD LYS A 76 6.334 7.658 7.167 1.00 30.10 C ATOM 1261 CE LYS A 76 7.139 6.539 7.821 1.00 12.23 C ATOM 1262 NZ LYS A 76 6.273 5.608 8.596 1.00 42.42 N ATOM 0 H LYS A 76 2.445 7.125 6.485 1.00 75.22 H new ATOM 0 HA LYS A 76 4.148 9.284 7.385 1.00 4.20 H new ATOM 0 HB2 LYS A 76 3.885 7.815 4.722 1.00 14.01 H new ATOM 0 HB3 LYS A 76 5.139 8.984 5.085 1.00 14.01 H new ATOM 0 HG2 LYS A 76 4.707 6.372 6.591 1.00 43.55 H new ATOM 0 HG3 LYS A 76 5.901 6.620 5.332 1.00 43.55 H new ATOM 0 HD2 LYS A 76 7.014 8.364 6.691 1.00 30.10 H new ATOM 0 HD3 LYS A 76 5.788 8.208 7.933 1.00 30.10 H new ATOM 0 HE2 LYS A 76 7.675 5.981 7.053 1.00 12.23 H new ATOM 0 HE3 LYS A 76 7.890 6.971 8.483 1.00 12.23 H new ATOM 0 HZ1 LYS A 76 6.869 4.946 9.133 1.00 42.42 H new ATOM 0 HZ2 LYS A 76 5.680 6.152 9.255 1.00 42.42 H new ATOM 0 HZ3 LYS A 76 5.664 5.075 7.943 1.00 42.42 H new ATOM 1276 N GLY A 77 1.631 9.921 5.423 1.00 11.22 N ATOM 1277 CA GLY A 77 0.902 11.004 4.762 1.00 41.35 C ATOM 1278 C GLY A 77 0.098 10.543 3.548 1.00 21.13 C ATOM 1279 O GLY A 77 -0.799 11.251 3.087 1.00 41.34 O ATOM 0 H GLY A 77 1.124 9.038 5.483 1.00 11.22 H new ATOM 0 HA2 GLY A 77 0.227 11.468 5.480 1.00 41.35 H new ATOM 0 HA3 GLY A 77 1.611 11.771 4.449 1.00 41.35 H new ATOM 1283 N GLY A 78 0.428 9.366 3.022 1.00 21.34 N ATOM 1284 CA GLY A 78 -0.288 8.819 1.870 1.00 5.43 C ATOM 1285 C GLY A 78 0.645 8.191 0.843 1.00 65.32 C ATOM 1286 O GLY A 78 1.849 8.456 0.850 1.00 4.50 O ATOM 0 H GLY A 78 1.182 8.775 3.372 1.00 21.34 H new ATOM 0 HA2 GLY A 78 -1.001 8.070 2.213 1.00 5.43 H new ATOM 0 HA3 GLY A 78 -0.864 9.613 1.394 1.00 5.43 H new ATOM 1290 N LEU A 79 0.089 7.370 -0.051 1.00 24.43 N ATOM 1291 CA LEU A 79 0.890 6.669 -1.065 1.00 5.00 C ATOM 1292 C LEU A 79 1.791 7.634 -1.856 1.00 1.32 C ATOM 1293 O LEU A 79 3.003 7.440 -1.938 1.00 52.10 O ATOM 1294 CB LEU A 79 -0.026 5.898 -2.029 1.00 30.35 C ATOM 1295 CG LEU A 79 0.695 5.174 -3.184 1.00 72.14 C ATOM 1296 CD1 LEU A 79 1.741 4.198 -2.652 1.00 64.01 C ATOM 1297 CD2 LEU A 79 -0.306 4.449 -4.080 1.00 10.12 C ATOM 0 H LEU A 79 -0.911 7.173 -0.096 1.00 24.43 H new ATOM 0 HA LEU A 79 1.537 5.967 -0.539 1.00 5.00 H new ATOM 0 HB2 LEU A 79 -0.591 5.162 -1.457 1.00 30.35 H new ATOM 0 HB3 LEU A 79 -0.749 6.595 -2.453 1.00 30.35 H new ATOM 0 HG LEU A 79 1.207 5.928 -3.781 1.00 72.14 H new ATOM 0 HD11 LEU A 79 2.234 3.702 -3.488 1.00 64.01 H new ATOM 0 HD12 LEU A 79 2.481 4.742 -2.066 1.00 64.01 H new ATOM 0 HD13 LEU A 79 1.256 3.452 -2.022 1.00 64.01 H new ATOM 0 HD21 LEU A 79 0.226 3.946 -4.887 1.00 10.12 H new ATOM 0 HD22 LEU A 79 -0.854 3.712 -3.492 1.00 10.12 H new ATOM 0 HD23 LEU A 79 -1.006 5.170 -4.501 1.00 10.12 H new ATOM 1309 N VAL A 80 1.190 8.679 -2.418 1.00 34.15 N ATOM 1310 CA VAL A 80 1.925 9.658 -3.227 1.00 25.54 C ATOM 1311 C VAL A 80 3.061 10.330 -2.436 1.00 22.11 C ATOM 1312 O VAL A 80 4.167 10.498 -2.952 1.00 52.43 O ATOM 1313 CB VAL A 80 0.968 10.735 -3.789 1.00 74.22 C ATOM 1314 CG1 VAL A 80 1.734 11.797 -4.577 1.00 54.14 C ATOM 1315 CG2 VAL A 80 -0.097 10.077 -4.660 1.00 11.42 C ATOM 0 H VAL A 80 0.193 8.874 -2.330 1.00 34.15 H new ATOM 0 HA VAL A 80 2.375 9.109 -4.054 1.00 25.54 H new ATOM 0 HB VAL A 80 0.480 11.236 -2.953 1.00 74.22 H new ATOM 0 HG11 VAL A 80 1.035 12.541 -4.960 1.00 54.14 H new ATOM 0 HG12 VAL A 80 2.459 12.283 -3.924 1.00 54.14 H new ATOM 0 HG13 VAL A 80 2.255 11.326 -5.410 1.00 54.14 H new ATOM 0 HG21 VAL A 80 -0.768 10.841 -5.053 1.00 11.42 H new ATOM 0 HG22 VAL A 80 0.382 9.554 -5.488 1.00 11.42 H new ATOM 0 HG23 VAL A 80 -0.667 9.366 -4.063 1.00 11.42 H new ATOM 1325 N GLU A 81 2.794 10.693 -1.182 1.00 4.05 N ATOM 1326 CA GLU A 81 3.813 11.317 -0.331 1.00 65.34 C ATOM 1327 C GLU A 81 5.040 10.401 -0.199 1.00 51.11 C ATOM 1328 O GLU A 81 6.184 10.830 -0.377 1.00 0.21 O ATOM 1329 CB GLU A 81 3.231 11.640 1.058 1.00 2.22 C ATOM 1330 CG GLU A 81 4.126 12.548 1.909 1.00 1.23 C ATOM 1331 CD GLU A 81 4.744 11.861 3.119 1.00 54.23 C ATOM 1332 OE1 GLU A 81 5.044 10.655 3.047 1.00 54.53 O ATOM 1333 OE2 GLU A 81 4.986 12.554 4.135 1.00 71.31 O ATOM 0 H GLU A 81 1.887 10.568 -0.733 1.00 4.05 H new ATOM 0 HA GLU A 81 4.128 12.250 -0.799 1.00 65.34 H new ATOM 0 HB2 GLU A 81 2.260 12.118 0.932 1.00 2.22 H new ATOM 0 HB3 GLU A 81 3.060 10.707 1.596 1.00 2.22 H new ATOM 0 HG2 GLU A 81 4.926 12.942 1.282 1.00 1.23 H new ATOM 0 HG3 GLU A 81 3.539 13.401 2.250 1.00 1.23 H new ATOM 1340 N VAL A 82 4.782 9.128 0.079 1.00 72.50 N ATOM 1341 CA VAL A 82 5.841 8.122 0.194 1.00 50.15 C ATOM 1342 C VAL A 82 6.596 7.935 -1.140 1.00 50.34 C ATOM 1343 O VAL A 82 7.827 7.825 -1.162 1.00 44.44 O ATOM 1344 CB VAL A 82 5.257 6.763 0.667 1.00 42.11 C ATOM 1345 CG1 VAL A 82 6.349 5.709 0.824 1.00 12.22 C ATOM 1346 CG2 VAL A 82 4.486 6.938 1.977 1.00 53.13 C ATOM 0 H VAL A 82 3.842 8.762 0.231 1.00 72.50 H new ATOM 0 HA VAL A 82 6.552 8.483 0.937 1.00 50.15 H new ATOM 0 HB VAL A 82 4.567 6.413 -0.101 1.00 42.11 H new ATOM 0 HG11 VAL A 82 5.904 4.771 1.156 1.00 12.22 H new ATOM 0 HG12 VAL A 82 6.847 5.556 -0.133 1.00 12.22 H new ATOM 0 HG13 VAL A 82 7.077 6.047 1.562 1.00 12.22 H new ATOM 0 HG21 VAL A 82 4.084 5.976 2.294 1.00 53.13 H new ATOM 0 HG22 VAL A 82 5.157 7.322 2.746 1.00 53.13 H new ATOM 0 HG23 VAL A 82 3.667 7.642 1.826 1.00 53.13 H new ATOM 1356 N ILE A 83 5.855 7.919 -2.250 1.00 25.31 N ATOM 1357 CA ILE A 83 6.458 7.793 -3.586 1.00 64.14 C ATOM 1358 C ILE A 83 7.374 8.992 -3.905 1.00 54.52 C ATOM 1359 O ILE A 83 8.439 8.834 -4.510 1.00 25.05 O ATOM 1360 CB ILE A 83 5.365 7.662 -4.688 1.00 54.55 C ATOM 1361 CG1 ILE A 83 4.483 6.431 -4.427 1.00 21.33 C ATOM 1362 CG2 ILE A 83 5.995 7.574 -6.078 1.00 31.44 C ATOM 1363 CD1 ILE A 83 3.359 6.260 -5.425 1.00 3.31 C ATOM 0 H ILE A 83 4.838 7.991 -2.254 1.00 25.31 H new ATOM 0 HA ILE A 83 7.061 6.885 -3.579 1.00 64.14 H new ATOM 0 HB ILE A 83 4.742 8.556 -4.651 1.00 54.55 H new ATOM 0 HG12 ILE A 83 5.108 5.538 -4.442 1.00 21.33 H new ATOM 0 HG13 ILE A 83 4.059 6.506 -3.426 1.00 21.33 H new ATOM 0 HG21 ILE A 83 5.210 7.483 -6.828 1.00 31.44 H new ATOM 0 HG22 ILE A 83 6.579 8.474 -6.271 1.00 31.44 H new ATOM 0 HG23 ILE A 83 6.647 6.702 -6.128 1.00 31.44 H new ATOM 0 HD11 ILE A 83 2.782 5.370 -5.174 1.00 3.31 H new ATOM 0 HD12 ILE A 83 2.709 7.135 -5.394 1.00 3.31 H new ATOM 0 HD13 ILE A 83 3.775 6.152 -6.427 1.00 3.31 H new ATOM 1375 N ASN A 84 6.962 10.187 -3.487 1.00 52.15 N ATOM 1376 CA ASN A 84 7.759 11.403 -3.702 1.00 73.04 C ATOM 1377 C ASN A 84 9.035 11.404 -2.842 1.00 65.30 C ATOM 1378 O ASN A 84 10.134 11.627 -3.349 1.00 50.42 O ATOM 1379 CB ASN A 84 6.920 12.651 -3.386 1.00 53.03 C ATOM 1380 CG ASN A 84 5.785 12.855 -4.371 1.00 43.34 C ATOM 1381 OD1 ASN A 84 5.890 12.510 -5.542 1.00 35.20 O ATOM 1382 ND2 ASN A 84 4.694 13.432 -3.911 1.00 24.44 N ATOM 0 H ASN A 84 6.081 10.344 -2.997 1.00 52.15 H new ATOM 0 HA ASN A 84 8.057 11.420 -4.750 1.00 73.04 H new ATOM 0 HB2 ASN A 84 6.511 12.564 -2.379 1.00 53.03 H new ATOM 0 HB3 ASN A 84 7.565 13.530 -3.394 1.00 53.03 H new ATOM 0 HD21 ASN A 84 3.906 13.603 -4.535 1.00 24.44 H new ATOM 0 HD22 ASN A 84 4.637 13.708 -2.931 1.00 24.44 H new ATOM 1389 N LYS A 85 8.882 11.119 -1.552 1.00 52.42 N ATOM 1390 CA LYS A 85 9.995 11.205 -0.592 1.00 53.21 C ATOM 1391 C LYS A 85 10.951 9.995 -0.663 1.00 63.51 C ATOM 1392 O LYS A 85 12.007 10.000 -0.031 1.00 11.45 O ATOM 1393 CB LYS A 85 9.425 11.353 0.822 1.00 31.20 C ATOM 1394 CG LYS A 85 8.582 12.613 1.000 1.00 13.43 C ATOM 1395 CD LYS A 85 7.708 12.549 2.240 1.00 65.31 C ATOM 1396 CE LYS A 85 8.497 12.325 3.520 1.00 24.15 C ATOM 1397 NZ LYS A 85 7.586 12.099 4.673 1.00 52.25 N ATOM 0 H LYS A 85 7.997 10.825 -1.139 1.00 52.42 H new ATOM 0 HA LYS A 85 10.591 12.079 -0.856 1.00 53.21 H new ATOM 0 HB2 LYS A 85 8.816 10.480 1.055 1.00 31.20 H new ATOM 0 HB3 LYS A 85 10.246 11.369 1.538 1.00 31.20 H new ATOM 0 HG2 LYS A 85 9.238 13.481 1.065 1.00 13.43 H new ATOM 0 HG3 LYS A 85 7.953 12.754 0.121 1.00 13.43 H new ATOM 0 HD2 LYS A 85 7.144 13.478 2.327 1.00 65.31 H new ATOM 0 HD3 LYS A 85 6.982 11.744 2.123 1.00 65.31 H new ATOM 0 HE2 LYS A 85 9.157 11.466 3.399 1.00 24.15 H new ATOM 0 HE3 LYS A 85 9.131 13.189 3.717 1.00 24.15 H new ATOM 0 HZ1 LYS A 85 8.030 12.459 5.542 1.00 52.25 H new ATOM 0 HZ2 LYS A 85 6.689 12.599 4.510 1.00 52.25 H new ATOM 0 HZ3 LYS A 85 7.401 11.081 4.775 1.00 52.25 H new ATOM 1411 N LYS A 86 10.566 8.954 -1.410 1.00 65.32 N ATOM 1412 CA LYS A 86 11.435 7.780 -1.650 1.00 52.35 C ATOM 1413 C LYS A 86 11.781 7.019 -0.352 1.00 54.41 C ATOM 1414 O LYS A 86 12.614 6.110 -0.363 1.00 54.53 O ATOM 1415 CB LYS A 86 12.750 8.201 -2.342 1.00 62.24 C ATOM 1416 CG LYS A 86 12.574 9.100 -3.565 1.00 41.20 C ATOM 1417 CD LYS A 86 11.688 8.465 -4.635 1.00 23.13 C ATOM 1418 CE LYS A 86 11.588 9.348 -5.875 1.00 74.51 C ATOM 1419 NZ LYS A 86 11.126 10.724 -5.544 1.00 65.03 N ATOM 0 H LYS A 86 9.655 8.894 -1.864 1.00 65.32 H new ATOM 0 HA LYS A 86 10.866 7.112 -2.297 1.00 52.35 H new ATOM 0 HB2 LYS A 86 13.376 8.719 -1.616 1.00 62.24 H new ATOM 0 HB3 LYS A 86 13.288 7.303 -2.644 1.00 62.24 H new ATOM 0 HG2 LYS A 86 12.139 10.050 -3.254 1.00 41.20 H new ATOM 0 HG3 LYS A 86 13.552 9.322 -3.992 1.00 41.20 H new ATOM 0 HD2 LYS A 86 12.092 7.491 -4.912 1.00 23.13 H new ATOM 0 HD3 LYS A 86 10.691 8.293 -4.228 1.00 23.13 H new ATOM 0 HE2 LYS A 86 12.561 9.400 -6.363 1.00 74.51 H new ATOM 0 HE3 LYS A 86 10.898 8.896 -6.588 1.00 74.51 H new ATOM 0 HZ1 LYS A 86 10.813 11.203 -6.412 1.00 65.03 H new ATOM 0 HZ2 LYS A 86 10.334 10.672 -4.873 1.00 65.03 H new ATOM 0 HZ3 LYS A 86 11.908 11.259 -5.116 1.00 65.03 H new ATOM 1433 N LEU A 87 11.123 7.363 0.752 1.00 32.32 N ATOM 1434 CA LEU A 87 11.471 6.812 2.076 1.00 3.31 C ATOM 1435 C LEU A 87 10.941 5.373 2.281 1.00 13.25 C ATOM 1436 O LEU A 87 10.723 4.936 3.414 1.00 75.23 O ATOM 1437 CB LEU A 87 10.959 7.753 3.192 1.00 11.11 C ATOM 1438 CG LEU A 87 9.443 7.732 3.489 1.00 24.21 C ATOM 1439 CD1 LEU A 87 9.083 8.801 4.514 1.00 34.21 C ATOM 1440 CD2 LEU A 87 8.618 7.922 2.223 1.00 72.13 C ATOM 0 H LEU A 87 10.344 8.021 0.765 1.00 32.32 H new ATOM 0 HA LEU A 87 12.558 6.750 2.128 1.00 3.31 H new ATOM 0 HB2 LEU A 87 11.488 7.505 4.112 1.00 11.11 H new ATOM 0 HB3 LEU A 87 11.238 8.773 2.929 1.00 11.11 H new ATOM 0 HG LEU A 87 9.205 6.751 3.899 1.00 24.21 H new ATOM 0 HD11 LEU A 87 8.011 8.771 4.710 1.00 34.21 H new ATOM 0 HD12 LEU A 87 9.627 8.615 5.440 1.00 34.21 H new ATOM 0 HD13 LEU A 87 9.353 9.783 4.126 1.00 34.21 H new ATOM 0 HD21 LEU A 87 7.557 7.901 2.473 1.00 72.13 H new ATOM 0 HD22 LEU A 87 8.865 8.881 1.768 1.00 72.13 H new ATOM 0 HD23 LEU A 87 8.841 7.119 1.520 1.00 72.13 H new ATOM 1452 N TRP A 88 10.790 4.622 1.186 1.00 20.23 N ATOM 1453 CA TRP A 88 10.319 3.229 1.248 1.00 33.04 C ATOM 1454 C TRP A 88 11.240 2.342 2.107 1.00 2.44 C ATOM 1455 O TRP A 88 10.844 1.254 2.529 1.00 64.52 O ATOM 1456 CB TRP A 88 10.195 2.639 -0.164 1.00 11.44 C ATOM 1457 CG TRP A 88 9.093 3.248 -0.985 1.00 21.21 C ATOM 1458 CD1 TRP A 88 9.199 4.275 -1.879 1.00 41.02 C ATOM 1459 CD2 TRP A 88 7.712 2.859 -0.983 1.00 61.43 C ATOM 1460 NE1 TRP A 88 7.974 4.541 -2.438 1.00 31.44 N ATOM 1461 CE2 TRP A 88 7.044 3.687 -1.903 1.00 53.12 C ATOM 1462 CE3 TRP A 88 6.977 1.889 -0.294 1.00 64.35 C ATOM 1463 CZ2 TRP A 88 5.677 3.575 -2.152 1.00 0.21 C ATOM 1464 CZ3 TRP A 88 5.620 1.779 -0.543 1.00 71.31 C ATOM 1465 CH2 TRP A 88 4.984 2.618 -1.464 1.00 64.10 C ATOM 0 H TRP A 88 10.987 4.954 0.242 1.00 20.23 H new ATOM 0 HA TRP A 88 9.338 3.245 1.722 1.00 33.04 H new ATOM 0 HB2 TRP A 88 11.141 2.774 -0.688 1.00 11.44 H new ATOM 0 HB3 TRP A 88 10.025 1.565 -0.085 1.00 11.44 H new ATOM 0 HD1 TRP A 88 10.113 4.801 -2.112 1.00 41.02 H new ATOM 0 HE1 TRP A 88 7.786 5.258 -3.138 1.00 31.44 H new ATOM 0 HE3 TRP A 88 7.460 1.238 0.419 1.00 64.35 H new ATOM 0 HZ2 TRP A 88 5.183 4.221 -2.863 1.00 0.21 H new ATOM 0 HZ3 TRP A 88 5.042 1.033 -0.017 1.00 71.31 H new ATOM 0 HH2 TRP A 88 3.923 2.508 -1.635 1.00 64.10 H new ATOM 1476 N ARG A 89 12.467 2.807 2.356 1.00 0.15 N ATOM 1477 CA ARG A 89 13.399 2.118 3.266 1.00 25.50 C ATOM 1478 C ARG A 89 12.753 1.846 4.636 1.00 61.11 C ATOM 1479 O ARG A 89 12.987 0.808 5.253 1.00 42.34 O ATOM 1480 CB ARG A 89 14.678 2.950 3.464 1.00 12.05 C ATOM 1481 CG ARG A 89 14.422 4.377 3.958 1.00 73.24 C ATOM 1482 CD ARG A 89 15.688 5.029 4.504 1.00 3.02 C ATOM 1483 NE ARG A 89 16.166 4.354 5.712 1.00 74.14 N ATOM 1484 CZ ARG A 89 17.332 4.557 6.261 1.00 42.31 C ATOM 1485 NH1 ARG A 89 18.164 5.411 5.755 1.00 52.23 N ATOM 1486 NH2 ARG A 89 17.659 3.902 7.326 1.00 0.33 N ATOM 0 H ARG A 89 12.843 3.660 1.941 1.00 0.15 H new ATOM 0 HA ARG A 89 13.653 1.163 2.805 1.00 25.50 H new ATOM 0 HB2 ARG A 89 15.324 2.440 4.178 1.00 12.05 H new ATOM 0 HB3 ARG A 89 15.220 2.995 2.519 1.00 12.05 H new ATOM 0 HG2 ARG A 89 14.029 4.979 3.139 1.00 73.24 H new ATOM 0 HG3 ARG A 89 13.659 4.360 4.736 1.00 73.24 H new ATOM 0 HD2 ARG A 89 16.467 5.006 3.742 1.00 3.02 H new ATOM 0 HD3 ARG A 89 15.490 6.078 4.727 1.00 3.02 H new ATOM 0 HE ARG A 89 15.544 3.678 6.155 1.00 74.14 H new ATOM 0 HH11 ARG A 89 17.911 5.935 4.917 1.00 52.23 H new ATOM 0 HH12 ARG A 89 19.072 5.560 6.194 1.00 52.23 H new ATOM 0 HH21 ARG A 89 17.007 3.231 7.732 1.00 0.33 H new ATOM 0 HH22 ARG A 89 18.569 4.056 7.760 1.00 0.33 H new ATOM 1500 N GLU A 90 11.956 2.798 5.113 1.00 73.23 N ATOM 1501 CA GLU A 90 11.254 2.653 6.389 1.00 61.53 C ATOM 1502 C GLU A 90 10.081 1.676 6.270 1.00 74.04 C ATOM 1503 O GLU A 90 9.727 0.993 7.233 1.00 30.10 O ATOM 1504 CB GLU A 90 10.766 4.018 6.890 1.00 41.14 C ATOM 1505 CG GLU A 90 11.897 5.002 7.177 1.00 12.22 C ATOM 1506 CD GLU A 90 12.943 4.431 8.126 1.00 40.31 C ATOM 1507 OE1 GLU A 90 12.728 4.473 9.356 1.00 62.22 O ATOM 1508 OE2 GLU A 90 13.979 3.932 7.646 1.00 13.32 O ATOM 0 H GLU A 90 11.778 3.681 4.635 1.00 73.23 H new ATOM 0 HA GLU A 90 11.958 2.244 7.114 1.00 61.53 H new ATOM 0 HB2 GLU A 90 10.098 4.452 6.146 1.00 41.14 H new ATOM 0 HB3 GLU A 90 10.181 3.875 7.798 1.00 41.14 H new ATOM 0 HG2 GLU A 90 12.377 5.282 6.239 1.00 12.22 H new ATOM 0 HG3 GLU A 90 11.481 5.913 7.607 1.00 12.22 H new ATOM 1515 N ILE A 91 9.481 1.622 5.083 1.00 53.23 N ATOM 1516 CA ILE A 91 8.378 0.701 4.811 1.00 14.22 C ATOM 1517 C ILE A 91 8.874 -0.754 4.829 1.00 15.12 C ATOM 1518 O ILE A 91 8.329 -1.601 5.539 1.00 51.14 O ATOM 1519 CB ILE A 91 7.718 1.006 3.439 1.00 34.43 C ATOM 1520 CG1 ILE A 91 7.350 2.500 3.329 1.00 53.13 C ATOM 1521 CG2 ILE A 91 6.484 0.130 3.233 1.00 0.21 C ATOM 1522 CD1 ILE A 91 6.394 2.987 4.395 1.00 22.41 C ATOM 0 H ILE A 91 9.741 2.208 4.290 1.00 53.23 H new ATOM 0 HA ILE A 91 7.633 0.838 5.595 1.00 14.22 H new ATOM 0 HB ILE A 91 8.438 0.776 2.654 1.00 34.43 H new ATOM 0 HG12 ILE A 91 8.264 3.092 3.380 1.00 53.13 H new ATOM 0 HG13 ILE A 91 6.907 2.682 2.350 1.00 53.13 H new ATOM 0 HG21 ILE A 91 6.034 0.357 2.267 1.00 0.21 H new ATOM 0 HG22 ILE A 91 6.775 -0.920 3.260 1.00 0.21 H new ATOM 0 HG23 ILE A 91 5.761 0.327 4.025 1.00 0.21 H new ATOM 0 HD11 ILE A 91 6.189 4.047 4.243 1.00 22.41 H new ATOM 0 HD12 ILE A 91 5.462 2.425 4.333 1.00 22.41 H new ATOM 0 HD13 ILE A 91 6.841 2.841 5.378 1.00 22.41 H new ATOM 1534 N THR A 92 9.927 -1.032 4.051 1.00 13.42 N ATOM 1535 CA THR A 92 10.556 -2.363 4.034 1.00 74.34 C ATOM 1536 C THR A 92 11.016 -2.769 5.435 1.00 32.22 C ATOM 1537 O THR A 92 10.730 -3.874 5.902 1.00 51.14 O ATOM 1538 CB THR A 92 11.781 -2.416 3.083 1.00 75.05 C ATOM 1539 OG1 THR A 92 12.713 -1.379 3.422 1.00 32.21 O ATOM 1540 CG2 THR A 92 11.361 -2.272 1.624 1.00 24.34 C ATOM 0 H THR A 92 10.363 -0.355 3.425 1.00 13.42 H new ATOM 0 HA THR A 92 9.796 -3.056 3.673 1.00 74.34 H new ATOM 0 HB THR A 92 12.256 -3.389 3.206 1.00 75.05 H new ATOM 0 HG1 THR A 92 13.483 -1.421 2.818 1.00 32.21 H new ATOM 0 HG21 THR A 92 12.243 -2.313 0.986 1.00 24.34 H new ATOM 0 HG22 THR A 92 10.683 -3.083 1.359 1.00 24.34 H new ATOM 0 HG23 THR A 92 10.856 -1.316 1.483 1.00 24.34 H new ATOM 1548 N LYS A 93 11.724 -1.863 6.106 1.00 11.14 N ATOM 1549 CA LYS A 93 12.188 -2.104 7.475 1.00 0.21 C ATOM 1550 C LYS A 93 11.000 -2.386 8.417 1.00 44.32 C ATOM 1551 O LYS A 93 11.092 -3.223 9.318 1.00 3.12 O ATOM 1552 CB LYS A 93 12.995 -0.899 7.991 1.00 52.33 C ATOM 1553 CG LYS A 93 13.945 -1.242 9.136 1.00 44.24 C ATOM 1554 CD LYS A 93 15.065 -2.169 8.663 1.00 11.03 C ATOM 1555 CE LYS A 93 15.943 -2.648 9.810 1.00 44.50 C ATOM 1556 NZ LYS A 93 16.578 -1.523 10.540 1.00 40.34 N ATOM 0 H LYS A 93 11.990 -0.955 5.726 1.00 11.14 H new ATOM 0 HA LYS A 93 12.834 -2.982 7.461 1.00 0.21 H new ATOM 0 HB2 LYS A 93 13.571 -0.479 7.166 1.00 52.33 H new ATOM 0 HB3 LYS A 93 12.303 -0.125 8.324 1.00 52.33 H new ATOM 0 HG2 LYS A 93 14.374 -0.327 9.543 1.00 44.24 H new ATOM 0 HG3 LYS A 93 13.389 -1.720 9.943 1.00 44.24 H new ATOM 0 HD2 LYS A 93 14.630 -3.031 8.157 1.00 11.03 H new ATOM 0 HD3 LYS A 93 15.681 -1.647 7.931 1.00 11.03 H new ATOM 0 HE2 LYS A 93 15.342 -3.236 10.504 1.00 44.50 H new ATOM 0 HE3 LYS A 93 16.717 -3.309 9.421 1.00 44.50 H new ATOM 0 HZ1 LYS A 93 17.231 -1.899 11.257 1.00 40.34 H new ATOM 0 HZ2 LYS A 93 17.105 -0.927 9.870 1.00 40.34 H new ATOM 0 HZ3 LYS A 93 15.844 -0.953 11.006 1.00 40.34 H new ATOM 1570 N GLY A 94 9.882 -1.690 8.189 1.00 74.34 N ATOM 1571 CA GLY A 94 8.666 -1.927 8.965 1.00 34.41 C ATOM 1572 C GLY A 94 8.082 -3.319 8.733 1.00 21.22 C ATOM 1573 O GLY A 94 7.427 -3.888 9.609 1.00 50.22 O ATOM 0 H GLY A 94 9.796 -0.964 7.478 1.00 74.34 H new ATOM 0 HA2 GLY A 94 8.886 -1.802 10.025 1.00 34.41 H new ATOM 0 HA3 GLY A 94 7.920 -1.176 8.703 1.00 34.41 H new ATOM 1577 N LEU A 95 8.322 -3.869 7.544 1.00 50.02 N ATOM 1578 CA LEU A 95 7.893 -5.232 7.212 1.00 34.05 C ATOM 1579 C LEU A 95 9.021 -6.243 7.488 1.00 42.12 C ATOM 1580 O LEU A 95 8.919 -7.419 7.134 1.00 72.23 O ATOM 1581 CB LEU A 95 7.476 -5.295 5.735 1.00 40.21 C ATOM 1582 CG LEU A 95 6.455 -4.234 5.291 1.00 61.42 C ATOM 1583 CD1 LEU A 95 6.098 -4.409 3.820 1.00 51.33 C ATOM 1584 CD2 LEU A 95 5.204 -4.279 6.164 1.00 34.23 C ATOM 0 H LEU A 95 8.814 -3.391 6.789 1.00 50.02 H new ATOM 0 HA LEU A 95 7.042 -5.494 7.840 1.00 34.05 H new ATOM 0 HB2 LEU A 95 8.369 -5.195 5.118 1.00 40.21 H new ATOM 0 HB3 LEU A 95 7.059 -6.282 5.535 1.00 40.21 H new ATOM 0 HG LEU A 95 6.914 -3.253 5.414 1.00 61.42 H new ATOM 0 HD11 LEU A 95 5.375 -3.648 3.528 1.00 51.33 H new ATOM 0 HD12 LEU A 95 6.997 -4.307 3.213 1.00 51.33 H new ATOM 0 HD13 LEU A 95 5.666 -5.398 3.665 1.00 51.33 H new ATOM 0 HD21 LEU A 95 4.499 -3.519 5.829 1.00 34.23 H new ATOM 0 HD22 LEU A 95 4.741 -5.263 6.086 1.00 34.23 H new ATOM 0 HD23 LEU A 95 5.477 -4.088 7.202 1.00 34.23 H new ATOM 1596 N ASN A 96 10.101 -5.758 8.110 1.00 23.41 N ATOM 1597 CA ASN A 96 11.273 -6.582 8.459 1.00 63.22 C ATOM 1598 C ASN A 96 12.014 -7.086 7.196 1.00 24.14 C ATOM 1599 O ASN A 96 12.863 -7.977 7.267 1.00 14.43 O ATOM 1600 CB ASN A 96 10.850 -7.756 9.364 1.00 40.20 C ATOM 1601 CG ASN A 96 12.025 -8.486 9.999 1.00 75.44 C ATOM 1602 OD1 ASN A 96 13.091 -7.771 10.296 1.00 64.25 O flip ATOM 1603 ND2 ASN A 96 11.965 -9.687 10.239 1.00 50.20 N flip ATOM 0 H ASN A 96 10.191 -4.781 8.388 1.00 23.41 H new ATOM 0 HA ASN A 96 11.974 -5.955 9.011 1.00 63.22 H new ATOM 0 HB2 ASN A 96 10.197 -7.380 10.152 1.00 40.20 H new ATOM 0 HB3 ASN A 96 10.266 -8.465 8.777 1.00 40.20 H new ATOM 0 HD21 ASN A 96 11.126 -10.214 9.997 1.00 50.20 H new ATOM 0 HD22 ASN A 96 12.754 -10.159 10.680 1.00 50.20 H new ATOM 1610 N LEU A 97 11.711 -6.479 6.050 1.00 73.30 N ATOM 1611 CA LEU A 97 12.342 -6.844 4.774 1.00 43.34 C ATOM 1612 C LEU A 97 13.756 -6.241 4.660 1.00 40.41 C ATOM 1613 O LEU A 97 14.069 -5.247 5.320 1.00 31.23 O ATOM 1614 CB LEU A 97 11.474 -6.355 3.602 1.00 24.51 C ATOM 1615 CG LEU A 97 10.005 -6.810 3.632 1.00 11.13 C ATOM 1616 CD1 LEU A 97 9.256 -6.316 2.397 1.00 13.54 C ATOM 1617 CD2 LEU A 97 9.902 -8.328 3.757 1.00 75.44 C ATOM 0 H LEU A 97 11.027 -5.726 5.975 1.00 73.30 H new ATOM 0 HA LEU A 97 12.429 -7.930 4.737 1.00 43.34 H new ATOM 0 HB2 LEU A 97 11.499 -5.265 3.584 1.00 24.51 H new ATOM 0 HB3 LEU A 97 11.924 -6.699 2.671 1.00 24.51 H new ATOM 0 HG LEU A 97 9.537 -6.368 4.512 1.00 11.13 H new ATOM 0 HD11 LEU A 97 8.220 -6.651 2.442 1.00 13.54 H new ATOM 0 HD12 LEU A 97 9.284 -5.227 2.366 1.00 13.54 H new ATOM 0 HD13 LEU A 97 9.728 -6.717 1.500 1.00 13.54 H new ATOM 0 HD21 LEU A 97 8.852 -8.621 3.776 1.00 75.44 H new ATOM 0 HD22 LEU A 97 10.395 -8.797 2.906 1.00 75.44 H new ATOM 0 HD23 LEU A 97 10.385 -8.651 4.679 1.00 75.44 H new ATOM 1629 N PRO A 98 14.644 -6.847 3.846 1.00 1.54 N ATOM 1630 CA PRO A 98 15.992 -6.304 3.613 1.00 12.55 C ATOM 1631 C PRO A 98 15.982 -5.065 2.694 1.00 21.31 C ATOM 1632 O PRO A 98 15.281 -5.030 1.683 1.00 45.42 O ATOM 1633 CB PRO A 98 16.734 -7.471 2.949 1.00 73.34 C ATOM 1634 CG PRO A 98 15.667 -8.276 2.281 1.00 72.12 C ATOM 1635 CD PRO A 98 14.418 -8.110 3.112 1.00 1.03 C ATOM 0 HA PRO A 98 16.457 -5.958 4.536 1.00 12.55 H new ATOM 0 HB2 PRO A 98 17.468 -7.113 2.228 1.00 73.34 H new ATOM 0 HB3 PRO A 98 17.275 -8.066 3.686 1.00 73.34 H new ATOM 0 HG2 PRO A 98 15.502 -7.930 1.261 1.00 72.12 H new ATOM 0 HG3 PRO A 98 15.955 -9.326 2.219 1.00 72.12 H new ATOM 0 HD2 PRO A 98 13.527 -8.055 2.487 1.00 1.03 H new ATOM 0 HD3 PRO A 98 14.278 -8.949 3.794 1.00 1.03 H new ATOM 1643 N THR A 99 16.780 -4.057 3.039 1.00 20.41 N ATOM 1644 CA THR A 99 16.829 -2.804 2.265 1.00 53.12 C ATOM 1645 C THR A 99 17.698 -2.947 1.003 1.00 21.35 C ATOM 1646 O THR A 99 17.814 -2.018 0.201 1.00 64.34 O ATOM 1647 CB THR A 99 17.359 -1.624 3.125 1.00 61.41 C ATOM 1648 OG1 THR A 99 17.476 -0.424 2.334 1.00 33.00 O ATOM 1649 CG2 THR A 99 18.713 -1.957 3.752 1.00 21.42 C ATOM 0 H THR A 99 17.403 -4.076 3.846 1.00 20.41 H new ATOM 0 HA THR A 99 15.805 -2.589 1.961 1.00 53.12 H new ATOM 0 HB THR A 99 16.637 -1.456 3.924 1.00 61.41 H new ATOM 0 HG1 THR A 99 17.608 -0.664 1.393 1.00 33.00 H new ATOM 0 HG21 THR A 99 19.056 -1.111 4.347 1.00 21.42 H new ATOM 0 HG22 THR A 99 18.612 -2.834 4.392 1.00 21.42 H new ATOM 0 HG23 THR A 99 19.438 -2.164 2.964 1.00 21.42 H new ATOM 1657 N SER A 100 18.296 -4.124 0.830 1.00 70.55 N ATOM 1658 CA SER A 100 19.182 -4.403 -0.313 1.00 72.13 C ATOM 1659 C SER A 100 18.410 -4.937 -1.537 1.00 75.24 C ATOM 1660 O SER A 100 19.008 -5.258 -2.568 1.00 1.44 O ATOM 1661 CB SER A 100 20.257 -5.421 0.105 1.00 21.05 C ATOM 1662 OG SER A 100 21.286 -5.541 -0.869 1.00 22.31 O ATOM 0 H SER A 100 18.185 -4.911 1.470 1.00 70.55 H new ATOM 0 HA SER A 100 19.646 -3.461 -0.606 1.00 72.13 H new ATOM 0 HB2 SER A 100 20.693 -5.117 1.057 1.00 21.05 H new ATOM 0 HB3 SER A 100 19.792 -6.394 0.263 1.00 21.05 H new ATOM 0 HG SER A 100 20.899 -5.459 -1.766 1.00 22.31 H new ATOM 1668 N ILE A 101 17.081 -5.024 -1.423 1.00 73.32 N ATOM 1669 CA ILE A 101 16.238 -5.550 -2.509 1.00 24.32 C ATOM 1670 C ILE A 101 16.268 -4.642 -3.757 1.00 74.51 C ATOM 1671 O ILE A 101 16.126 -3.421 -3.661 1.00 2.34 O ATOM 1672 CB ILE A 101 14.769 -5.740 -2.041 1.00 41.01 C ATOM 1673 CG1 ILE A 101 14.698 -6.764 -0.897 1.00 44.03 C ATOM 1674 CG2 ILE A 101 13.874 -6.178 -3.206 1.00 70.44 C ATOM 1675 CD1 ILE A 101 13.307 -6.947 -0.322 1.00 11.43 C ATOM 0 H ILE A 101 16.563 -4.738 -0.592 1.00 73.32 H new ATOM 0 HA ILE A 101 16.655 -6.520 -2.781 1.00 24.32 H new ATOM 0 HB ILE A 101 14.404 -4.781 -1.675 1.00 41.01 H new ATOM 0 HG12 ILE A 101 15.060 -7.726 -1.260 1.00 44.03 H new ATOM 0 HG13 ILE A 101 15.372 -6.451 -0.100 1.00 44.03 H new ATOM 0 HG21 ILE A 101 12.851 -6.304 -2.851 1.00 70.44 H new ATOM 0 HG22 ILE A 101 13.896 -5.418 -3.987 1.00 70.44 H new ATOM 0 HG23 ILE A 101 14.237 -7.123 -3.609 1.00 70.44 H new ATOM 0 HD11 ILE A 101 13.339 -7.685 0.480 1.00 11.43 H new ATOM 0 HD12 ILE A 101 12.949 -5.997 0.073 1.00 11.43 H new ATOM 0 HD13 ILE A 101 12.632 -7.292 -1.105 1.00 11.43 H new ATOM 1687 N THR A 102 16.441 -5.265 -4.921 1.00 42.32 N ATOM 1688 CA THR A 102 16.544 -4.556 -6.205 1.00 24.11 C ATOM 1689 C THR A 102 15.321 -3.665 -6.481 1.00 74.05 C ATOM 1690 O THR A 102 14.215 -4.161 -6.704 1.00 14.02 O ATOM 1691 CB THR A 102 16.706 -5.560 -7.372 1.00 2.22 C ATOM 1692 OG1 THR A 102 17.800 -6.451 -7.104 1.00 13.13 O ATOM 1693 CG2 THR A 102 16.951 -4.846 -8.697 1.00 4.32 C ATOM 0 H THR A 102 16.515 -6.279 -5.006 1.00 42.32 H new ATOM 0 HA THR A 102 17.425 -3.917 -6.135 1.00 24.11 H new ATOM 0 HB THR A 102 15.777 -6.124 -7.453 1.00 2.22 H new ATOM 0 HG1 THR A 102 17.895 -7.084 -7.846 1.00 13.13 H new ATOM 0 HG21 THR A 102 17.060 -5.583 -9.493 1.00 4.32 H new ATOM 0 HG22 THR A 102 16.107 -4.193 -8.920 1.00 4.32 H new ATOM 0 HG23 THR A 102 17.862 -4.251 -8.627 1.00 4.32 H new ATOM 1701 N SER A 103 15.538 -2.345 -6.455 1.00 4.53 N ATOM 1702 CA SER A 103 14.480 -1.354 -6.738 1.00 21.35 C ATOM 1703 C SER A 103 13.220 -1.580 -5.883 1.00 71.21 C ATOM 1704 O SER A 103 12.102 -1.313 -6.330 1.00 11.15 O ATOM 1705 CB SER A 103 14.112 -1.370 -8.234 1.00 63.20 C ATOM 1706 OG SER A 103 15.203 -0.945 -9.043 1.00 42.15 O ATOM 0 H SER A 103 16.444 -1.930 -6.239 1.00 4.53 H new ATOM 0 HA SER A 103 14.883 -0.376 -6.474 1.00 21.35 H new ATOM 0 HB2 SER A 103 13.812 -2.377 -8.525 1.00 63.20 H new ATOM 0 HB3 SER A 103 13.255 -0.719 -8.406 1.00 63.20 H new ATOM 0 HG SER A 103 14.939 -0.968 -9.986 1.00 42.15 H new ATOM 1712 N ALA A 104 13.416 -2.034 -4.641 1.00 41.22 N ATOM 1713 CA ALA A 104 12.305 -2.300 -3.708 1.00 32.33 C ATOM 1714 C ALA A 104 11.287 -1.148 -3.659 1.00 52.52 C ATOM 1715 O ALA A 104 10.078 -1.378 -3.630 1.00 63.01 O ATOM 1716 CB ALA A 104 12.852 -2.569 -2.311 1.00 12.30 C ATOM 0 H ALA A 104 14.339 -2.228 -4.252 1.00 41.22 H new ATOM 0 HA ALA A 104 11.779 -3.180 -4.077 1.00 32.33 H new ATOM 0 HB1 ALA A 104 12.025 -2.764 -1.628 1.00 12.30 H new ATOM 0 HB2 ALA A 104 13.512 -3.436 -2.339 1.00 12.30 H new ATOM 0 HB3 ALA A 104 13.410 -1.699 -1.965 1.00 12.30 H new ATOM 1722 N ALA A 105 11.789 0.086 -3.657 1.00 41.24 N ATOM 1723 CA ALA A 105 10.938 1.282 -3.619 1.00 45.34 C ATOM 1724 C ALA A 105 9.923 1.308 -4.774 1.00 60.24 C ATOM 1725 O ALA A 105 8.723 1.492 -4.559 1.00 3.11 O ATOM 1726 CB ALA A 105 11.809 2.534 -3.647 1.00 12.53 C ATOM 0 H ALA A 105 12.789 0.288 -3.681 1.00 41.24 H new ATOM 0 HA ALA A 105 10.366 1.255 -2.692 1.00 45.34 H new ATOM 0 HB1 ALA A 105 11.174 3.420 -3.619 1.00 12.53 H new ATOM 0 HB2 ALA A 105 12.472 2.535 -2.782 1.00 12.53 H new ATOM 0 HB3 ALA A 105 12.404 2.543 -4.560 1.00 12.53 H new ATOM 1732 N PHE A 106 10.407 1.105 -5.998 1.00 72.32 N ATOM 1733 CA PHE A 106 9.545 1.120 -7.185 1.00 60.04 C ATOM 1734 C PHE A 106 8.583 -0.081 -7.185 1.00 32.00 C ATOM 1735 O PHE A 106 7.416 0.037 -7.577 1.00 20.03 O ATOM 1736 CB PHE A 106 10.407 1.120 -8.459 1.00 74.30 C ATOM 1737 CG PHE A 106 9.618 1.303 -9.737 1.00 12.51 C ATOM 1738 CD1 PHE A 106 9.222 2.572 -10.148 1.00 61.01 C ATOM 1739 CD2 PHE A 106 9.268 0.212 -10.522 1.00 31.30 C ATOM 1740 CE1 PHE A 106 8.500 2.744 -11.315 1.00 2.21 C ATOM 1741 CE2 PHE A 106 8.544 0.382 -11.689 1.00 53.30 C ATOM 1742 CZ PHE A 106 8.159 1.649 -12.086 1.00 45.12 C ATOM 0 H PHE A 106 11.392 0.928 -6.197 1.00 72.32 H new ATOM 0 HA PHE A 106 8.944 2.029 -7.163 1.00 60.04 H new ATOM 0 HB2 PHE A 106 11.147 1.917 -8.384 1.00 74.30 H new ATOM 0 HB3 PHE A 106 10.955 0.179 -8.514 1.00 74.30 H new ATOM 0 HD1 PHE A 106 9.481 3.432 -9.549 1.00 61.01 H new ATOM 0 HD2 PHE A 106 9.564 -0.781 -10.218 1.00 31.30 H new ATOM 0 HE1 PHE A 106 8.202 3.735 -11.624 1.00 2.21 H new ATOM 0 HE2 PHE A 106 8.280 -0.476 -12.290 1.00 53.30 H new ATOM 0 HZ PHE A 106 7.593 1.783 -12.996 1.00 45.12 H new ATOM 1752 N THR A 107 9.081 -1.233 -6.737 1.00 70.11 N ATOM 1753 CA THR A 107 8.277 -2.462 -6.664 1.00 12.13 C ATOM 1754 C THR A 107 7.090 -2.306 -5.694 1.00 73.22 C ATOM 1755 O THR A 107 5.942 -2.586 -6.049 1.00 70.13 O ATOM 1756 CB THR A 107 9.143 -3.676 -6.232 1.00 51.45 C ATOM 1757 OG1 THR A 107 10.239 -3.853 -7.149 1.00 24.31 O ATOM 1758 CG2 THR A 107 8.317 -4.958 -6.175 1.00 12.43 C ATOM 0 H THR A 107 10.043 -1.345 -6.416 1.00 70.11 H new ATOM 0 HA THR A 107 7.887 -2.643 -7.666 1.00 12.13 H new ATOM 0 HB THR A 107 9.528 -3.470 -5.233 1.00 51.45 H new ATOM 0 HG1 THR A 107 10.896 -3.139 -7.015 1.00 24.31 H new ATOM 0 HG21 THR A 107 8.954 -5.788 -5.869 1.00 12.43 H new ATOM 0 HG22 THR A 107 7.508 -4.838 -5.455 1.00 12.43 H new ATOM 0 HG23 THR A 107 7.899 -5.165 -7.160 1.00 12.43 H new ATOM 1766 N LEU A 108 7.371 -1.843 -4.473 1.00 41.24 N ATOM 1767 CA LEU A 108 6.320 -1.598 -3.474 1.00 32.44 C ATOM 1768 C LEU A 108 5.321 -0.542 -3.968 1.00 43.41 C ATOM 1769 O LEU A 108 4.111 -0.681 -3.776 1.00 45.13 O ATOM 1770 CB LEU A 108 6.935 -1.144 -2.144 1.00 0.24 C ATOM 1771 CG LEU A 108 7.800 -2.185 -1.418 1.00 45.32 C ATOM 1772 CD1 LEU A 108 8.390 -1.588 -0.141 1.00 0.00 C ATOM 1773 CD2 LEU A 108 6.984 -3.439 -1.109 1.00 51.22 C ATOM 0 H LEU A 108 8.315 -1.630 -4.150 1.00 41.24 H new ATOM 0 HA LEU A 108 5.786 -2.536 -3.320 1.00 32.44 H new ATOM 0 HB2 LEU A 108 7.544 -0.259 -2.330 1.00 0.24 H new ATOM 0 HB3 LEU A 108 6.128 -0.841 -1.477 1.00 0.24 H new ATOM 0 HG LEU A 108 8.623 -2.472 -2.072 1.00 45.32 H new ATOM 0 HD11 LEU A 108 9.001 -2.337 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.008 -0.727 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.583 -1.274 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.614 -4.165 -0.595 1.00 51.22 H new ATOM 0 HD22 LEU A 108 6.139 -3.176 -0.472 1.00 51.22 H new ATOM 0 HD23 LEU A 108 6.616 -3.872 -2.039 1.00 51.22 H new ATOM 1785 N ARG A 109 5.845 0.507 -4.606 1.00 31.15 N ATOM 1786 CA ARG A 109 5.018 1.559 -5.215 1.00 4.24 C ATOM 1787 C ARG A 109 3.925 0.956 -6.113 1.00 2.30 C ATOM 1788 O ARG A 109 2.755 1.344 -6.045 1.00 12.50 O ATOM 1789 CB ARG A 109 5.908 2.493 -6.055 1.00 3.00 C ATOM 1790 CG ARG A 109 5.140 3.560 -6.841 1.00 31.34 C ATOM 1791 CD ARG A 109 5.684 3.738 -8.257 1.00 73.32 C ATOM 1792 NE ARG A 109 5.510 2.527 -9.064 1.00 63.50 N ATOM 1793 CZ ARG A 109 5.054 2.513 -10.290 1.00 44.02 C ATOM 1794 NH1 ARG A 109 4.742 3.615 -10.895 1.00 4.11 N ATOM 1795 NH2 ARG A 109 4.914 1.391 -10.910 1.00 11.23 N ATOM 0 H ARG A 109 6.848 0.654 -4.716 1.00 31.15 H new ATOM 0 HA ARG A 109 4.537 2.120 -4.414 1.00 4.24 H new ATOM 0 HB2 ARG A 109 6.620 2.988 -5.394 1.00 3.00 H new ATOM 0 HB3 ARG A 109 6.488 1.891 -6.754 1.00 3.00 H new ATOM 0 HG2 ARG A 109 4.087 3.284 -6.891 1.00 31.34 H new ATOM 0 HG3 ARG A 109 5.196 4.510 -6.310 1.00 31.34 H new ATOM 0 HD2 ARG A 109 5.175 4.572 -8.740 1.00 73.32 H new ATOM 0 HD3 ARG A 109 6.742 3.994 -8.210 1.00 73.32 H new ATOM 0 HE ARG A 109 5.762 1.634 -8.641 1.00 63.50 H new ATOM 0 HH11 ARG A 109 4.851 4.509 -10.415 1.00 4.11 H new ATOM 0 HH12 ARG A 109 4.388 3.589 -11.851 1.00 4.11 H new ATOM 0 HH21 ARG A 109 5.159 0.517 -10.444 1.00 11.23 H new ATOM 0 HH22 ARG A 109 4.559 1.377 -11.866 1.00 11.23 H new ATOM 1809 N THR A 110 4.328 0.004 -6.951 1.00 62.01 N ATOM 1810 CA THR A 110 3.414 -0.656 -7.892 1.00 22.12 C ATOM 1811 C THR A 110 2.369 -1.513 -7.161 1.00 50.15 C ATOM 1812 O THR A 110 1.165 -1.356 -7.370 1.00 4.44 O ATOM 1813 CB THR A 110 4.188 -1.558 -8.889 1.00 62.12 C ATOM 1814 OG1 THR A 110 5.260 -0.818 -9.498 1.00 14.11 O ATOM 1815 CG2 THR A 110 3.265 -2.100 -9.981 1.00 54.34 C ATOM 0 H THR A 110 5.289 -0.333 -7.001 1.00 62.01 H new ATOM 0 HA THR A 110 2.906 0.139 -8.438 1.00 22.12 H new ATOM 0 HB THR A 110 4.593 -2.400 -8.327 1.00 62.12 H new ATOM 0 HG1 THR A 110 5.942 -0.615 -8.824 1.00 14.11 H new ATOM 0 HG21 THR A 110 3.838 -2.728 -10.663 1.00 54.34 H new ATOM 0 HG22 THR A 110 2.470 -2.690 -9.525 1.00 54.34 H new ATOM 0 HG23 THR A 110 2.828 -1.268 -10.534 1.00 54.34 H new ATOM 1823 N GLN A 111 2.836 -2.411 -6.295 1.00 73.40 N ATOM 1824 CA GLN A 111 1.952 -3.371 -5.621 1.00 45.22 C ATOM 1825 C GLN A 111 0.937 -2.675 -4.694 1.00 2.34 C ATOM 1826 O GLN A 111 -0.242 -3.037 -4.671 1.00 60.32 O ATOM 1827 CB GLN A 111 2.778 -4.402 -4.837 1.00 22.51 C ATOM 1828 CG GLN A 111 3.856 -5.090 -5.675 1.00 23.10 C ATOM 1829 CD GLN A 111 3.329 -5.683 -6.976 1.00 2.13 C ATOM 1830 OE1 GLN A 111 2.185 -6.121 -7.069 1.00 21.10 O ATOM 1831 NE2 GLN A 111 4.162 -5.692 -7.997 1.00 4.22 N ATOM 0 H GLN A 111 3.820 -2.497 -6.041 1.00 73.40 H new ATOM 0 HA GLN A 111 1.382 -3.885 -6.395 1.00 45.22 H new ATOM 0 HB2 GLN A 111 3.250 -3.907 -3.989 1.00 22.51 H new ATOM 0 HB3 GLN A 111 2.107 -5.159 -4.431 1.00 22.51 H new ATOM 0 HG2 GLN A 111 4.641 -4.370 -5.905 1.00 23.10 H new ATOM 0 HG3 GLN A 111 4.314 -5.882 -5.083 1.00 23.10 H new ATOM 0 HE21 GLN A 111 5.106 -5.321 -7.888 1.00 4.22 H new ATOM 0 HE22 GLN A 111 3.863 -6.070 -8.896 1.00 4.22 H new ATOM 1840 N TYR A 112 1.389 -1.671 -3.942 1.00 21.43 N ATOM 1841 CA TYR A 112 0.488 -0.903 -3.070 1.00 61.32 C ATOM 1842 C TYR A 112 -0.625 -0.246 -3.901 1.00 2.22 C ATOM 1843 O TYR A 112 -1.799 -0.270 -3.525 1.00 5.41 O ATOM 1844 CB TYR A 112 1.269 0.173 -2.298 1.00 34.44 C ATOM 1845 CG TYR A 112 0.471 0.839 -1.182 1.00 60.05 C ATOM 1846 CD1 TYR A 112 -0.469 1.833 -1.452 1.00 24.51 C ATOM 1847 CD2 TYR A 112 0.661 0.468 0.144 1.00 13.31 C ATOM 1848 CE1 TYR A 112 -1.188 2.433 -0.434 1.00 34.54 C ATOM 1849 CE2 TYR A 112 -0.055 1.065 1.163 1.00 40.15 C ATOM 1850 CZ TYR A 112 -0.979 2.044 0.870 1.00 15.35 C ATOM 1851 OH TYR A 112 -1.693 2.635 1.886 1.00 32.24 O ATOM 0 H TYR A 112 2.363 -1.370 -3.916 1.00 21.43 H new ATOM 0 HA TYR A 112 0.038 -1.590 -2.353 1.00 61.32 H new ATOM 0 HB2 TYR A 112 2.164 -0.279 -1.871 1.00 34.44 H new ATOM 0 HB3 TYR A 112 1.602 0.938 -2.999 1.00 34.44 H new ATOM 0 HD1 TYR A 112 -0.639 2.140 -2.474 1.00 24.51 H new ATOM 0 HD2 TYR A 112 1.381 -0.301 0.382 1.00 13.31 H new ATOM 0 HE1 TYR A 112 -1.910 3.203 -0.661 1.00 34.54 H new ATOM 0 HE2 TYR A 112 0.109 0.765 2.187 1.00 40.15 H new ATOM 0 HH TYR A 112 -2.339 1.993 2.248 1.00 32.24 H new ATOM 1861 N MET A 113 -0.237 0.324 -5.041 1.00 12.23 N ATOM 1862 CA MET A 113 -1.176 0.981 -5.959 1.00 54.11 C ATOM 1863 C MET A 113 -2.268 0.009 -6.446 1.00 54.51 C ATOM 1864 O MET A 113 -3.419 0.394 -6.653 1.00 50.34 O ATOM 1865 CB MET A 113 -0.404 1.544 -7.158 1.00 53.21 C ATOM 1866 CG MET A 113 -1.244 2.388 -8.108 1.00 42.41 C ATOM 1867 SD MET A 113 -0.287 3.005 -9.508 1.00 50.11 S ATOM 1868 CE MET A 113 1.054 3.837 -8.659 1.00 41.10 C ATOM 0 H MET A 113 0.733 0.345 -5.357 1.00 12.23 H new ATOM 0 HA MET A 113 -1.670 1.790 -5.421 1.00 54.11 H new ATOM 0 HB2 MET A 113 0.424 2.149 -6.789 1.00 53.21 H new ATOM 0 HB3 MET A 113 0.031 0.715 -7.716 1.00 53.21 H new ATOM 0 HG2 MET A 113 -2.079 1.793 -8.476 1.00 42.41 H new ATOM 0 HG3 MET A 113 -1.669 3.230 -7.562 1.00 42.41 H new ATOM 0 HE1 MET A 113 1.590 4.475 -9.362 1.00 41.10 H new ATOM 0 HE2 MET A 113 0.650 4.447 -7.851 1.00 41.10 H new ATOM 0 HE3 MET A 113 1.739 3.096 -8.247 1.00 41.10 H new ATOM 1878 N LYS A 114 -1.886 -1.251 -6.622 1.00 42.22 N ATOM 1879 CA LYS A 114 -2.800 -2.290 -7.110 1.00 54.35 C ATOM 1880 C LYS A 114 -3.787 -2.763 -6.023 1.00 20.12 C ATOM 1881 O LYS A 114 -4.991 -2.861 -6.266 1.00 61.25 O ATOM 1882 CB LYS A 114 -1.979 -3.482 -7.618 1.00 11.01 C ATOM 1883 CG LYS A 114 -1.035 -3.131 -8.764 1.00 44.03 C ATOM 1884 CD LYS A 114 0.033 -4.201 -8.974 1.00 51.54 C ATOM 1885 CE LYS A 114 -0.568 -5.570 -9.272 1.00 23.55 C ATOM 1886 NZ LYS A 114 0.481 -6.611 -9.425 1.00 74.23 N ATOM 0 H LYS A 114 -0.941 -1.585 -6.433 1.00 42.22 H new ATOM 0 HA LYS A 114 -3.393 -1.860 -7.918 1.00 54.35 H new ATOM 0 HB2 LYS A 114 -1.397 -3.890 -6.791 1.00 11.01 H new ATOM 0 HB3 LYS A 114 -2.660 -4.267 -7.947 1.00 11.01 H new ATOM 0 HG2 LYS A 114 -1.610 -3.007 -9.682 1.00 44.03 H new ATOM 0 HG3 LYS A 114 -0.554 -2.175 -8.558 1.00 44.03 H new ATOM 0 HD2 LYS A 114 0.683 -3.905 -9.798 1.00 51.54 H new ATOM 0 HD3 LYS A 114 0.657 -4.267 -8.083 1.00 51.54 H new ATOM 0 HE2 LYS A 114 -1.246 -5.853 -8.467 1.00 23.55 H new ATOM 0 HE3 LYS A 114 -1.162 -5.516 -10.184 1.00 23.55 H new ATOM 0 HZ1 LYS A 114 0.039 -7.552 -9.423 1.00 74.23 H new ATOM 0 HZ2 LYS A 114 0.985 -6.467 -10.323 1.00 74.23 H new ATOM 0 HZ3 LYS A 114 1.155 -6.544 -8.636 1.00 74.23 H new ATOM 1900 N TYR A 115 -3.273 -3.052 -4.824 1.00 72.13 N ATOM 1901 CA TYR A 115 -4.084 -3.664 -3.758 1.00 51.43 C ATOM 1902 C TYR A 115 -4.629 -2.641 -2.741 1.00 75.31 C ATOM 1903 O TYR A 115 -5.826 -2.605 -2.463 1.00 41.21 O ATOM 1904 CB TYR A 115 -3.250 -4.710 -2.998 1.00 2.04 C ATOM 1905 CG TYR A 115 -2.775 -5.882 -3.840 1.00 64.15 C ATOM 1906 CD1 TYR A 115 -1.737 -5.731 -4.752 1.00 74.01 C ATOM 1907 CD2 TYR A 115 -3.358 -7.140 -3.716 1.00 34.14 C ATOM 1908 CE1 TYR A 115 -1.294 -6.793 -5.513 1.00 71.44 C ATOM 1909 CE2 TYR A 115 -2.916 -8.209 -4.472 1.00 24.14 C ATOM 1910 CZ TYR A 115 -1.884 -8.028 -5.371 1.00 62.53 C ATOM 1911 OH TYR A 115 -1.436 -9.088 -6.124 1.00 42.41 O ATOM 0 H TYR A 115 -2.303 -2.874 -4.564 1.00 72.13 H new ATOM 0 HA TYR A 115 -4.938 -4.125 -4.254 1.00 51.43 H new ATOM 0 HB2 TYR A 115 -2.380 -4.216 -2.566 1.00 2.04 H new ATOM 0 HB3 TYR A 115 -3.844 -5.094 -2.168 1.00 2.04 H new ATOM 0 HD1 TYR A 115 -1.269 -4.765 -4.867 1.00 74.01 H new ATOM 0 HD2 TYR A 115 -4.169 -7.283 -3.017 1.00 34.14 H new ATOM 0 HE1 TYR A 115 -0.487 -6.656 -6.218 1.00 71.44 H new ATOM 0 HE2 TYR A 115 -3.375 -9.180 -4.360 1.00 24.14 H new ATOM 0 HH TYR A 115 -1.724 -9.928 -5.710 1.00 42.41 H new ATOM 1921 N LEU A 116 -3.748 -1.800 -2.198 1.00 75.44 N ATOM 1922 CA LEU A 116 -4.089 -0.987 -1.019 1.00 63.42 C ATOM 1923 C LEU A 116 -4.475 0.461 -1.361 1.00 60.22 C ATOM 1924 O LEU A 116 -5.127 1.132 -0.557 1.00 30.35 O ATOM 1925 CB LEU A 116 -2.917 -1.001 -0.031 1.00 51.34 C ATOM 1926 CG LEU A 116 -2.542 -2.391 0.516 1.00 62.55 C ATOM 1927 CD1 LEU A 116 -1.317 -2.307 1.416 1.00 13.55 C ATOM 1928 CD2 LEU A 116 -3.718 -3.014 1.264 1.00 11.12 C ATOM 0 H LEU A 116 -2.800 -1.661 -2.548 1.00 75.44 H new ATOM 0 HA LEU A 116 -4.973 -1.439 -0.569 1.00 63.42 H new ATOM 0 HB2 LEU A 116 -2.043 -0.573 -0.522 1.00 51.34 H new ATOM 0 HB3 LEU A 116 -3.162 -0.351 0.809 1.00 51.34 H new ATOM 0 HG LEU A 116 -2.298 -3.032 -0.331 1.00 62.55 H new ATOM 0 HD11 LEU A 116 -1.072 -3.301 1.790 1.00 13.55 H new ATOM 0 HD12 LEU A 116 -0.474 -1.915 0.847 1.00 13.55 H new ATOM 0 HD13 LEU A 116 -1.527 -1.645 2.256 1.00 13.55 H new ATOM 0 HD21 LEU A 116 -3.430 -3.995 1.642 1.00 11.12 H new ATOM 0 HD22 LEU A 116 -3.999 -2.372 2.099 1.00 11.12 H new ATOM 0 HD23 LEU A 116 -4.565 -3.120 0.586 1.00 11.12 H new ATOM 1940 N TYR A 117 -4.091 0.942 -2.544 1.00 41.12 N ATOM 1941 CA TYR A 117 -4.420 2.317 -2.956 1.00 42.40 C ATOM 1942 C TYR A 117 -5.935 2.592 -2.883 1.00 34.12 C ATOM 1943 O TYR A 117 -6.349 3.607 -2.322 1.00 51.44 O ATOM 1944 CB TYR A 117 -3.895 2.621 -4.370 1.00 5.31 C ATOM 1945 CG TYR A 117 -4.375 3.956 -4.926 1.00 13.43 C ATOM 1946 CD1 TYR A 117 -3.767 5.150 -4.549 1.00 41.25 C ATOM 1947 CD2 TYR A 117 -5.446 4.019 -5.816 1.00 32.43 C ATOM 1948 CE1 TYR A 117 -4.210 6.363 -5.042 1.00 41.44 C ATOM 1949 CE2 TYR A 117 -5.896 5.231 -6.308 1.00 52.13 C ATOM 1950 CZ TYR A 117 -5.274 6.397 -5.920 1.00 52.04 C ATOM 1951 OH TYR A 117 -5.723 7.603 -6.407 1.00 14.11 O ATOM 0 H TYR A 117 -3.557 0.410 -3.231 1.00 41.12 H new ATOM 0 HA TYR A 117 -3.922 2.982 -2.251 1.00 42.40 H new ATOM 0 HB2 TYR A 117 -2.805 2.615 -4.353 1.00 5.31 H new ATOM 0 HB3 TYR A 117 -4.207 1.823 -5.044 1.00 5.31 H new ATOM 0 HD1 TYR A 117 -2.936 5.128 -3.860 1.00 41.25 H new ATOM 0 HD2 TYR A 117 -5.933 3.106 -6.127 1.00 32.43 H new ATOM 0 HE1 TYR A 117 -3.725 7.280 -4.741 1.00 41.44 H new ATOM 0 HE2 TYR A 117 -6.731 5.263 -6.993 1.00 52.13 H new ATOM 0 HH TYR A 117 -6.103 7.474 -7.301 1.00 14.11 H new ATOM 1961 N PRO A 118 -6.793 1.708 -3.452 1.00 32.31 N ATOM 1962 CA PRO A 118 -8.251 1.869 -3.345 1.00 64.31 C ATOM 1963 C PRO A 118 -8.715 1.995 -1.884 1.00 61.00 C ATOM 1964 O PRO A 118 -9.613 2.775 -1.567 1.00 30.13 O ATOM 1965 CB PRO A 118 -8.814 0.586 -3.991 1.00 1.34 C ATOM 1966 CG PRO A 118 -7.656 -0.355 -4.095 1.00 3.31 C ATOM 1967 CD PRO A 118 -6.438 0.511 -4.240 1.00 43.15 C ATOM 0 HA PRO A 118 -8.596 2.781 -3.832 1.00 64.31 H new ATOM 0 HB2 PRO A 118 -9.612 0.159 -3.384 1.00 1.34 H new ATOM 0 HB3 PRO A 118 -9.238 0.795 -4.973 1.00 1.34 H new ATOM 0 HG2 PRO A 118 -7.584 -0.986 -3.209 1.00 3.31 H new ATOM 0 HG3 PRO A 118 -7.768 -1.020 -4.952 1.00 3.31 H new ATOM 0 HD2 PRO A 118 -5.545 0.021 -3.852 1.00 43.15 H new ATOM 0 HD3 PRO A 118 -6.239 0.758 -5.283 1.00 43.15 H new ATOM 1975 N TYR A 119 -8.080 1.238 -0.991 1.00 11.50 N ATOM 1976 CA TYR A 119 -8.457 1.241 0.422 1.00 20.10 C ATOM 1977 C TYR A 119 -7.990 2.537 1.114 1.00 3.45 C ATOM 1978 O TYR A 119 -8.642 3.026 2.036 1.00 35.20 O ATOM 1979 CB TYR A 119 -7.872 0.008 1.131 1.00 41.43 C ATOM 1980 CG TYR A 119 -8.683 -0.454 2.333 1.00 13.24 C ATOM 1981 CD1 TYR A 119 -9.733 -1.354 2.176 1.00 2.00 C ATOM 1982 CD2 TYR A 119 -8.402 0.003 3.617 1.00 22.22 C ATOM 1983 CE1 TYR A 119 -10.478 -1.783 3.259 1.00 24.22 C ATOM 1984 CE2 TYR A 119 -9.143 -0.422 4.705 1.00 12.53 C ATOM 1985 CZ TYR A 119 -10.180 -1.315 4.519 1.00 0.32 C ATOM 1986 OH TYR A 119 -10.920 -1.738 5.603 1.00 34.52 O ATOM 0 H TYR A 119 -7.304 0.616 -1.219 1.00 11.50 H new ATOM 0 HA TYR A 119 -9.544 1.198 0.487 1.00 20.10 H new ATOM 0 HB2 TYR A 119 -7.802 -0.811 0.416 1.00 41.43 H new ATOM 0 HB3 TYR A 119 -6.857 0.235 1.456 1.00 41.43 H new ATOM 0 HD1 TYR A 119 -9.970 -1.724 1.190 1.00 2.00 H new ATOM 0 HD2 TYR A 119 -7.592 0.701 3.767 1.00 22.22 H new ATOM 0 HE1 TYR A 119 -11.289 -2.482 3.117 1.00 24.22 H new ATOM 0 HE2 TYR A 119 -8.912 -0.057 5.695 1.00 12.53 H new ATOM 0 HH TYR A 119 -10.579 -1.314 6.418 1.00 34.52 H new ATOM 1996 N GLU A 120 -6.858 3.086 0.671 1.00 1.22 N ATOM 1997 CA GLU A 120 -6.353 4.358 1.209 1.00 2.42 C ATOM 1998 C GLU A 120 -7.213 5.542 0.741 1.00 3.34 C ATOM 1999 O GLU A 120 -7.776 6.275 1.553 1.00 55.12 O ATOM 2000 CB GLU A 120 -4.878 4.571 0.803 1.00 2.43 C ATOM 2001 CG GLU A 120 -4.211 5.799 1.451 1.00 53.32 C ATOM 2002 CD GLU A 120 -4.062 6.999 0.514 1.00 30.13 C ATOM 2003 OE1 GLU A 120 -5.038 7.768 0.356 1.00 20.31 O ATOM 2004 OE2 GLU A 120 -2.960 7.187 -0.050 1.00 35.42 O ATOM 0 H GLU A 120 -6.273 2.675 -0.056 1.00 1.22 H new ATOM 0 HA GLU A 120 -6.413 4.307 2.296 1.00 2.42 H new ATOM 0 HB2 GLU A 120 -4.308 3.681 1.069 1.00 2.43 H new ATOM 0 HB3 GLU A 120 -4.823 4.672 -0.281 1.00 2.43 H new ATOM 0 HG2 GLU A 120 -4.797 6.101 2.319 1.00 53.32 H new ATOM 0 HG3 GLU A 120 -3.225 5.512 1.816 1.00 53.32 H new ATOM 2011 N CYS A 121 -7.338 5.699 -0.573 1.00 13.15 N ATOM 2012 CA CYS A 121 -8.040 6.852 -1.159 1.00 54.24 C ATOM 2013 C CYS A 121 -9.536 6.893 -0.789 1.00 43.23 C ATOM 2014 O CYS A 121 -10.129 7.971 -0.693 1.00 15.14 O ATOM 2015 CB CYS A 121 -7.877 6.850 -2.681 1.00 63.03 C ATOM 2016 SG CYS A 121 -8.522 5.374 -3.498 1.00 62.32 S ATOM 0 H CYS A 121 -6.964 5.044 -1.260 1.00 13.15 H new ATOM 0 HA CYS A 121 -7.583 7.748 -0.738 1.00 54.24 H new ATOM 0 HB2 CYS A 121 -8.381 7.726 -3.089 1.00 63.03 H new ATOM 0 HB3 CYS A 121 -6.819 6.950 -2.921 1.00 63.03 H new ATOM 0 HG CYS A 121 -7.732 4.369 -3.265 1.00 62.32 H new ATOM 2022 N GLU A 122 -10.149 5.728 -0.588 1.00 63.32 N ATOM 2023 CA GLU A 122 -11.563 5.663 -0.178 1.00 22.42 C ATOM 2024 C GLU A 122 -11.726 5.715 1.357 1.00 23.42 C ATOM 2025 O GLU A 122 -12.354 6.631 1.888 1.00 15.43 O ATOM 2026 CB GLU A 122 -12.244 4.398 -0.737 1.00 41.21 C ATOM 2027 CG GLU A 122 -13.235 4.661 -1.874 1.00 55.34 C ATOM 2028 CD GLU A 122 -12.565 5.036 -3.189 1.00 61.44 C ATOM 2029 OE1 GLU A 122 -12.312 6.238 -3.417 1.00 4.44 O ATOM 2030 OE2 GLU A 122 -12.307 4.126 -4.013 1.00 43.11 O ATOM 0 H GLU A 122 -9.699 4.819 -0.699 1.00 63.32 H new ATOM 0 HA GLU A 122 -12.051 6.543 -0.596 1.00 22.42 H new ATOM 0 HB2 GLU A 122 -11.474 3.714 -1.094 1.00 41.21 H new ATOM 0 HB3 GLU A 122 -12.768 3.893 0.075 1.00 41.21 H new ATOM 0 HG2 GLU A 122 -13.845 3.771 -2.027 1.00 55.34 H new ATOM 0 HG3 GLU A 122 -13.911 5.463 -1.578 1.00 55.34 H new ATOM 2037 N LYS A 123 -11.166 4.733 2.066 1.00 45.23 N ATOM 2038 CA LYS A 123 -11.348 4.629 3.526 1.00 33.14 C ATOM 2039 C LYS A 123 -10.629 5.749 4.296 1.00 34.54 C ATOM 2040 O LYS A 123 -10.905 5.976 5.475 1.00 13.13 O ATOM 2041 CB LYS A 123 -10.864 3.262 4.027 1.00 44.24 C ATOM 2042 CG LYS A 123 -11.623 2.082 3.424 1.00 32.33 C ATOM 2043 CD LYS A 123 -13.094 2.079 3.840 1.00 44.35 C ATOM 2044 CE LYS A 123 -13.870 0.941 3.185 1.00 32.25 C ATOM 2045 NZ LYS A 123 -15.294 0.921 3.618 1.00 61.05 N ATOM 0 H LYS A 123 -10.585 3.999 1.661 1.00 45.23 H new ATOM 0 HA LYS A 123 -12.416 4.737 3.717 1.00 33.14 H new ATOM 0 HB2 LYS A 123 -9.804 3.156 3.798 1.00 44.24 H new ATOM 0 HB3 LYS A 123 -10.960 3.228 5.112 1.00 44.24 H new ATOM 0 HG2 LYS A 123 -11.553 2.122 2.337 1.00 32.33 H new ATOM 0 HG3 LYS A 123 -11.155 1.150 3.739 1.00 32.33 H new ATOM 0 HD2 LYS A 123 -13.164 1.989 4.924 1.00 44.35 H new ATOM 0 HD3 LYS A 123 -13.549 3.032 3.569 1.00 44.35 H new ATOM 0 HE2 LYS A 123 -13.821 1.045 2.101 1.00 32.25 H new ATOM 0 HE3 LYS A 123 -13.401 -0.010 3.436 1.00 32.25 H new ATOM 0 HZ1 LYS A 123 -15.788 0.134 3.151 1.00 61.05 H new ATOM 0 HZ2 LYS A 123 -15.341 0.797 4.649 1.00 61.05 H new ATOM 0 HZ3 LYS A 123 -15.749 1.819 3.356 1.00 61.05 H new ATOM 2059 N ARG A 124 -9.701 6.437 3.638 1.00 33.04 N ATOM 2060 CA ARG A 124 -8.982 7.554 4.261 1.00 42.21 C ATOM 2061 C ARG A 124 -9.115 8.822 3.397 1.00 40.35 C ATOM 2062 O ARG A 124 -9.853 9.746 3.741 1.00 51.35 O ATOM 2063 CB ARG A 124 -7.499 7.178 4.460 1.00 75.11 C ATOM 2064 CG ARG A 124 -6.886 7.644 5.781 1.00 70.11 C ATOM 2065 CD ARG A 124 -6.913 9.162 5.946 1.00 31.05 C ATOM 2066 NE ARG A 124 -6.136 9.595 7.109 1.00 51.20 N ATOM 2067 CZ ARG A 124 -5.983 10.839 7.478 1.00 50.34 C ATOM 2068 NH1 ARG A 124 -6.593 11.800 6.858 1.00 42.35 N ATOM 2069 NH2 ARG A 124 -5.225 11.116 8.487 1.00 70.24 N ATOM 0 H ARG A 124 -9.426 6.245 2.675 1.00 33.04 H new ATOM 0 HA ARG A 124 -9.421 7.761 5.237 1.00 42.21 H new ATOM 0 HB2 ARG A 124 -7.403 6.094 4.394 1.00 75.11 H new ATOM 0 HB3 ARG A 124 -6.919 7.600 3.639 1.00 75.11 H new ATOM 0 HG2 ARG A 124 -7.426 7.184 6.609 1.00 70.11 H new ATOM 0 HG3 ARG A 124 -5.855 7.295 5.840 1.00 70.11 H new ATOM 0 HD2 ARG A 124 -6.515 9.633 5.047 1.00 31.05 H new ATOM 0 HD3 ARG A 124 -7.944 9.498 6.052 1.00 31.05 H new ATOM 0 HE ARG A 124 -5.682 8.875 7.671 1.00 51.20 H new ATOM 0 HH11 ARG A 124 -7.204 11.591 6.069 1.00 42.35 H new ATOM 0 HH12 ARG A 124 -6.462 12.766 7.160 1.00 42.35 H new ATOM 0 HH21 ARG A 124 -4.751 10.366 8.990 1.00 70.24 H new ATOM 0 HH22 ARG A 124 -5.101 12.085 8.781 1.00 70.24 H new ATOM 2083 N GLY A 125 -8.421 8.843 2.258 1.00 54.14 N ATOM 2084 CA GLY A 125 -8.471 9.993 1.357 1.00 11.31 C ATOM 2085 C GLY A 125 -7.238 10.883 1.455 1.00 53.23 C ATOM 2086 O GLY A 125 -7.344 12.091 1.670 1.00 45.43 O ATOM 0 H GLY A 125 -7.822 8.082 1.940 1.00 54.14 H new ATOM 0 HA2 GLY A 125 -8.576 9.639 0.331 1.00 11.31 H new ATOM 0 HA3 GLY A 125 -9.358 10.585 1.582 1.00 11.31 H new ATOM 2090 N LEU A 126 -6.061 10.286 1.294 1.00 13.03 N ATOM 2091 CA LEU A 126 -4.798 11.024 1.386 1.00 33.34 C ATOM 2092 C LEU A 126 -4.250 11.376 -0.004 1.00 10.14 C ATOM 2093 O LEU A 126 -3.821 12.507 -0.246 1.00 54.54 O ATOM 2094 CB LEU A 126 -3.767 10.205 2.174 1.00 54.34 C ATOM 2095 CG LEU A 126 -4.117 9.964 3.651 1.00 10.32 C ATOM 2096 CD1 LEU A 126 -3.126 8.999 4.296 1.00 21.24 C ATOM 2097 CD2 LEU A 126 -4.158 11.288 4.414 1.00 31.41 C ATOM 0 H LEU A 126 -5.952 9.291 1.099 1.00 13.03 H new ATOM 0 HA LEU A 126 -4.991 11.959 1.912 1.00 33.34 H new ATOM 0 HB2 LEU A 126 -3.642 9.239 1.684 1.00 54.34 H new ATOM 0 HB3 LEU A 126 -2.805 10.715 2.123 1.00 54.34 H new ATOM 0 HG LEU A 126 -5.107 9.509 3.697 1.00 10.32 H new ATOM 0 HD11 LEU A 126 -3.396 8.845 5.341 1.00 21.24 H new ATOM 0 HD12 LEU A 126 -3.153 8.045 3.770 1.00 21.24 H new ATOM 0 HD13 LEU A 126 -2.121 9.417 4.238 1.00 21.24 H new ATOM 0 HD21 LEU A 126 -4.407 11.099 5.458 1.00 31.41 H new ATOM 0 HD22 LEU A 126 -3.183 11.772 4.356 1.00 31.41 H new ATOM 0 HD23 LEU A 126 -4.913 11.939 3.973 1.00 31.41 H new ATOM 2109 N SER A 127 -4.268 10.413 -0.921 1.00 23.12 N ATOM 2110 CA SER A 127 -3.723 10.626 -2.272 1.00 62.54 C ATOM 2111 C SER A 127 -4.816 10.725 -3.349 1.00 64.22 C ATOM 2112 O SER A 127 -5.938 10.235 -3.176 1.00 11.11 O ATOM 2113 CB SER A 127 -2.757 9.497 -2.638 1.00 11.21 C ATOM 2114 OG SER A 127 -3.420 8.247 -2.710 1.00 5.11 O ATOM 0 H SER A 127 -4.650 9.481 -0.762 1.00 23.12 H new ATOM 0 HA SER A 127 -3.198 11.581 -2.246 1.00 62.54 H new ATOM 0 HB2 SER A 127 -2.287 9.716 -3.597 1.00 11.21 H new ATOM 0 HB3 SER A 127 -1.960 9.445 -1.897 1.00 11.21 H new ATOM 0 HG SER A 127 -3.320 7.774 -1.858 1.00 5.11 H new ATOM 2120 N ASN A 128 -4.479 11.396 -4.453 1.00 24.23 N ATOM 2121 CA ASN A 128 -5.348 11.473 -5.637 1.00 45.14 C ATOM 2122 C ASN A 128 -4.622 10.905 -6.869 1.00 52.41 C ATOM 2123 O ASN A 128 -3.395 10.982 -6.956 1.00 74.42 O ATOM 2124 CB ASN A 128 -5.744 12.928 -5.923 1.00 31.24 C ATOM 2125 CG ASN A 128 -6.292 13.643 -4.708 1.00 3.14 C ATOM 2126 OD1 ASN A 128 -7.480 13.578 -4.411 1.00 1.51 O ATOM 2127 ND2 ASN A 128 -5.430 14.336 -3.997 1.00 31.32 N ATOM 0 H ASN A 128 -3.599 11.901 -4.555 1.00 24.23 H new ATOM 0 HA ASN A 128 -6.244 10.887 -5.434 1.00 45.14 H new ATOM 0 HB2 ASN A 128 -4.873 13.469 -6.294 1.00 31.24 H new ATOM 0 HB3 ASN A 128 -6.492 12.946 -6.716 1.00 31.24 H new ATOM 0 HD21 ASN A 128 -5.742 14.842 -3.168 1.00 31.32 H new ATOM 0 HD22 ASN A 128 -4.449 14.367 -4.274 1.00 31.32 H new ATOM 2134 N PRO A 129 -5.362 10.354 -7.853 1.00 4.43 N ATOM 2135 CA PRO A 129 -4.755 9.796 -9.076 1.00 60.43 C ATOM 2136 C PRO A 129 -3.954 10.839 -9.880 1.00 73.42 C ATOM 2137 O PRO A 129 -2.949 10.509 -10.516 1.00 63.51 O ATOM 2138 CB PRO A 129 -5.963 9.284 -9.885 1.00 25.31 C ATOM 2139 CG PRO A 129 -7.147 9.989 -9.311 1.00 51.23 C ATOM 2140 CD PRO A 129 -6.831 10.217 -7.857 1.00 74.32 C ATOM 0 HA PRO A 129 -4.028 9.018 -8.842 1.00 60.43 H new ATOM 0 HB2 PRO A 129 -5.849 9.506 -10.946 1.00 25.31 H new ATOM 0 HB3 PRO A 129 -6.067 8.203 -9.795 1.00 25.31 H new ATOM 0 HG2 PRO A 129 -7.325 10.934 -9.824 1.00 51.23 H new ATOM 0 HG3 PRO A 129 -8.050 9.390 -9.424 1.00 51.23 H new ATOM 0 HD2 PRO A 129 -7.321 11.112 -7.473 1.00 74.32 H new ATOM 0 HD3 PRO A 129 -7.160 9.383 -7.237 1.00 74.32 H new ATOM 2148 N ASN A 130 -4.388 12.103 -9.835 1.00 34.34 N ATOM 2149 CA ASN A 130 -3.702 13.172 -10.571 1.00 41.55 C ATOM 2150 C ASN A 130 -2.335 13.509 -9.946 1.00 2.14 C ATOM 2151 O ASN A 130 -1.323 13.545 -10.650 1.00 14.52 O ATOM 2152 CB ASN A 130 -4.577 14.427 -10.659 1.00 52.05 C ATOM 2153 CG ASN A 130 -5.839 14.197 -11.474 1.00 40.14 C ATOM 2154 OD1 ASN A 130 -5.876 13.352 -12.361 1.00 52.21 O ATOM 2155 ND2 ASN A 130 -6.882 14.950 -11.190 1.00 53.54 N ATOM 0 H ASN A 130 -5.202 12.410 -9.303 1.00 34.34 H new ATOM 0 HA ASN A 130 -3.523 12.804 -11.581 1.00 41.55 H new ATOM 0 HB2 ASN A 130 -4.850 14.747 -9.654 1.00 52.05 H new ATOM 0 HB3 ASN A 130 -4.001 15.237 -11.106 1.00 52.05 H new ATOM 0 HD21 ASN A 130 -7.750 14.838 -11.714 1.00 53.54 H new ATOM 0 HD22 ASN A 130 -6.822 15.645 -10.446 1.00 53.54 H new ATOM 2162 N GLU A 131 -2.295 13.757 -8.630 1.00 33.31 N ATOM 2163 CA GLU A 131 -1.013 13.998 -7.947 1.00 32.01 C ATOM 2164 C GLU A 131 -0.105 12.757 -8.052 1.00 14.52 C ATOM 2165 O GLU A 131 1.122 12.869 -8.136 1.00 34.43 O ATOM 2166 CB GLU A 131 -1.224 14.379 -6.466 1.00 62.05 C ATOM 2167 CG GLU A 131 -1.689 13.229 -5.578 1.00 14.24 C ATOM 2168 CD GLU A 131 -1.732 13.599 -4.103 1.00 2.34 C ATOM 2169 OE1 GLU A 131 -0.660 13.835 -3.505 1.00 62.55 O ATOM 2170 OE2 GLU A 131 -2.834 13.647 -3.532 1.00 63.41 O ATOM 0 H GLU A 131 -3.116 13.796 -8.026 1.00 33.31 H new ATOM 0 HA GLU A 131 -0.527 14.837 -8.444 1.00 32.01 H new ATOM 0 HB2 GLU A 131 -0.289 14.773 -6.068 1.00 62.05 H new ATOM 0 HB3 GLU A 131 -1.958 15.183 -6.412 1.00 62.05 H new ATOM 0 HG2 GLU A 131 -2.681 12.909 -5.896 1.00 14.24 H new ATOM 0 HG3 GLU A 131 -1.021 12.378 -5.715 1.00 14.24 H new ATOM 2177 N LEU A 132 -0.730 11.576 -8.051 1.00 31.43 N ATOM 2178 CA LEU A 132 -0.021 10.299 -8.205 1.00 64.12 C ATOM 2179 C LEU A 132 0.776 10.245 -9.522 1.00 32.23 C ATOM 2180 O LEU A 132 1.908 9.757 -9.557 1.00 64.44 O ATOM 2181 CB LEU A 132 -1.037 9.147 -8.151 1.00 73.04 C ATOM 2182 CG LEU A 132 -0.452 7.728 -8.267 1.00 35.03 C ATOM 2183 CD1 LEU A 132 0.504 7.438 -7.113 1.00 42.33 C ATOM 2184 CD2 LEU A 132 -1.569 6.686 -8.321 1.00 32.23 C ATOM 0 H LEU A 132 -1.739 11.476 -7.944 1.00 31.43 H new ATOM 0 HA LEU A 132 0.694 10.202 -7.388 1.00 64.12 H new ATOM 0 HB2 LEU A 132 -1.587 9.217 -7.212 1.00 73.04 H new ATOM 0 HB3 LEU A 132 -1.760 9.288 -8.955 1.00 73.04 H new ATOM 0 HG LEU A 132 0.114 7.669 -9.197 1.00 35.03 H new ATOM 0 HD11 LEU A 132 0.904 6.430 -7.217 1.00 42.33 H new ATOM 0 HD12 LEU A 132 1.323 8.157 -7.129 1.00 42.33 H new ATOM 0 HD13 LEU A 132 -0.032 7.520 -6.167 1.00 42.33 H new ATOM 0 HD21 LEU A 132 -1.134 5.690 -8.403 1.00 32.23 H new ATOM 0 HD22 LEU A 132 -2.168 6.747 -7.412 1.00 32.23 H new ATOM 0 HD23 LEU A 132 -2.203 6.877 -9.187 1.00 32.23 H new ATOM 2196 N GLN A 133 0.178 10.760 -10.598 1.00 33.42 N ATOM 2197 CA GLN A 133 0.823 10.787 -11.918 1.00 53.13 C ATOM 2198 C GLN A 133 2.189 11.499 -11.872 1.00 34.33 C ATOM 2199 O GLN A 133 3.171 11.024 -12.454 1.00 52.13 O ATOM 2200 CB GLN A 133 -0.101 11.476 -12.938 1.00 22.21 C ATOM 2201 CG GLN A 133 0.475 11.559 -14.351 1.00 50.03 C ATOM 2202 CD GLN A 133 0.694 10.195 -14.984 1.00 75.22 C ATOM 2203 OE1 GLN A 133 -0.172 9.664 -15.673 1.00 65.45 O ATOM 2204 NE2 GLN A 133 1.853 9.614 -14.749 1.00 15.20 N ATOM 0 H GLN A 133 -0.757 11.167 -10.583 1.00 33.42 H new ATOM 0 HA GLN A 133 1.000 9.756 -12.225 1.00 53.13 H new ATOM 0 HB2 GLN A 133 -1.048 10.937 -12.975 1.00 22.21 H new ATOM 0 HB3 GLN A 133 -0.321 12.484 -12.588 1.00 22.21 H new ATOM 0 HG2 GLN A 133 -0.200 12.141 -14.979 1.00 50.03 H new ATOM 0 HG3 GLN A 133 1.423 12.095 -14.320 1.00 50.03 H new ATOM 0 HE21 GLN A 133 2.551 10.083 -14.172 1.00 15.20 H new ATOM 0 HE22 GLN A 133 2.052 8.695 -15.144 1.00 15.20 H new ATOM 2213 N ALA A 134 2.248 12.635 -11.172 1.00 63.35 N ATOM 2214 CA ALA A 134 3.497 13.394 -11.022 1.00 25.21 C ATOM 2215 C ALA A 134 4.532 12.624 -10.181 1.00 10.14 C ATOM 2216 O ALA A 134 5.729 12.636 -10.482 1.00 5.53 O ATOM 2217 CB ALA A 134 3.219 14.755 -10.391 1.00 45.21 C ATOM 0 H ALA A 134 1.446 13.051 -10.699 1.00 63.35 H new ATOM 0 HA ALA A 134 3.915 13.539 -12.018 1.00 25.21 H new ATOM 0 HB1 ALA A 134 4.154 15.305 -10.286 1.00 45.21 H new ATOM 0 HB2 ALA A 134 2.536 15.318 -11.027 1.00 45.21 H new ATOM 0 HB3 ALA A 134 2.768 14.615 -9.408 1.00 45.21 H new ATOM 2223 N ALA A 135 4.059 11.965 -9.122 1.00 72.12 N ATOM 2224 CA ALA A 135 4.917 11.135 -8.264 1.00 3.52 C ATOM 2225 C ALA A 135 5.625 10.040 -9.071 1.00 13.41 C ATOM 2226 O ALA A 135 6.833 9.815 -8.938 1.00 1.32 O ATOM 2227 CB ALA A 135 4.080 10.501 -7.160 1.00 2.25 C ATOM 0 H ALA A 135 3.081 11.988 -8.834 1.00 72.12 H new ATOM 0 HA ALA A 135 5.680 11.778 -7.826 1.00 3.52 H new ATOM 0 HB1 ALA A 135 4.719 9.887 -6.526 1.00 2.25 H new ATOM 0 HB2 ALA A 135 3.618 11.284 -6.559 1.00 2.25 H new ATOM 0 HB3 ALA A 135 3.303 9.878 -7.604 1.00 2.25 H new ATOM 2233 N ILE A 136 4.850 9.364 -9.908 1.00 63.04 N ATOM 2234 CA ILE A 136 5.357 8.291 -10.764 1.00 35.54 C ATOM 2235 C ILE A 136 6.338 8.821 -11.821 1.00 15.03 C ATOM 2236 O ILE A 136 7.385 8.214 -12.067 1.00 4.33 O ATOM 2237 CB ILE A 136 4.177 7.560 -11.440 1.00 74.21 C ATOM 2238 CG1 ILE A 136 3.269 6.959 -10.354 1.00 73.23 C ATOM 2239 CG2 ILE A 136 4.675 6.480 -12.403 1.00 24.44 C ATOM 2240 CD1 ILE A 136 1.905 6.544 -10.845 1.00 43.33 C ATOM 0 H ILE A 136 3.851 9.541 -10.016 1.00 63.04 H new ATOM 0 HA ILE A 136 5.905 7.589 -10.136 1.00 35.54 H new ATOM 0 HB ILE A 136 3.604 8.275 -12.031 1.00 74.21 H new ATOM 0 HG12 ILE A 136 3.766 6.091 -9.921 1.00 73.23 H new ATOM 0 HG13 ILE A 136 3.148 7.689 -9.554 1.00 73.23 H new ATOM 0 HG21 ILE A 136 3.822 5.982 -12.864 1.00 24.44 H new ATOM 0 HG22 ILE A 136 5.290 6.939 -13.178 1.00 24.44 H new ATOM 0 HG23 ILE A 136 5.269 5.749 -11.854 1.00 24.44 H new ATOM 0 HD11 ILE A 136 1.330 6.131 -10.016 1.00 43.33 H new ATOM 0 HD12 ILE A 136 1.385 7.412 -11.251 1.00 43.33 H new ATOM 0 HD13 ILE A 136 2.013 5.789 -11.624 1.00 43.33 H new ATOM 2252 N ASP A 137 6.001 9.952 -12.441 1.00 74.51 N ATOM 2253 CA ASP A 137 6.911 10.603 -13.387 1.00 62.20 C ATOM 2254 C ASP A 137 8.238 10.956 -12.695 1.00 0.23 C ATOM 2255 O ASP A 137 9.316 10.786 -13.267 1.00 71.34 O ATOM 2256 CB ASP A 137 6.260 11.859 -13.978 1.00 22.43 C ATOM 2257 CG ASP A 137 7.151 12.560 -14.996 1.00 23.41 C ATOM 2258 OD1 ASP A 137 7.400 11.977 -16.073 1.00 11.23 O ATOM 2259 OD2 ASP A 137 7.596 13.697 -14.733 1.00 42.41 O ATOM 0 H ASP A 137 5.112 10.434 -12.308 1.00 74.51 H new ATOM 0 HA ASP A 137 7.121 9.910 -14.202 1.00 62.20 H new ATOM 0 HB2 ASP A 137 5.318 11.586 -14.453 1.00 22.43 H new ATOM 0 HB3 ASP A 137 6.021 12.553 -13.172 1.00 22.43 H new ATOM 2264 N SER A 138 8.146 11.427 -11.453 1.00 4.31 N ATOM 2265 CA SER A 138 9.334 11.717 -10.641 1.00 31.35 C ATOM 2266 C SER A 138 10.194 10.461 -10.444 1.00 33.21 C ATOM 2267 O SER A 138 11.391 10.484 -10.694 1.00 31.14 O ATOM 2268 CB SER A 138 8.934 12.299 -9.275 1.00 74.40 C ATOM 2269 OG SER A 138 8.296 13.562 -9.414 1.00 43.31 O ATOM 0 H SER A 138 7.261 11.617 -10.983 1.00 4.31 H new ATOM 0 HA SER A 138 9.925 12.457 -11.179 1.00 31.35 H new ATOM 0 HB2 SER A 138 8.265 11.606 -8.765 1.00 74.40 H new ATOM 0 HB3 SER A 138 9.820 12.405 -8.650 1.00 74.40 H new ATOM 0 HG SER A 138 7.394 13.435 -9.774 1.00 43.31 H new ATOM 2275 N ASN A 139 9.573 9.357 -10.026 1.00 14.11 N ATOM 2276 CA ASN A 139 10.312 8.107 -9.770 1.00 54.23 C ATOM 2277 C ASN A 139 11.041 7.593 -11.022 1.00 1.23 C ATOM 2278 O ASN A 139 12.251 7.356 -10.991 1.00 64.35 O ATOM 2279 CB ASN A 139 9.376 7.011 -9.240 1.00 40.30 C ATOM 2280 CG ASN A 139 9.000 7.200 -7.780 1.00 75.31 C ATOM 2281 OD1 ASN A 139 8.818 8.435 -7.355 1.00 12.40 O flip ATOM 2282 ND2 ASN A 139 8.856 6.235 -7.037 1.00 21.41 N flip ATOM 0 H ASN A 139 8.569 9.296 -9.857 1.00 14.11 H new ATOM 0 HA ASN A 139 11.061 8.343 -9.014 1.00 54.23 H new ATOM 0 HB2 ASN A 139 8.468 6.994 -9.843 1.00 40.30 H new ATOM 0 HB3 ASN A 139 9.857 6.041 -9.362 1.00 40.30 H new ATOM 0 HD21 ASN A 139 9.003 5.291 -7.393 1.00 21.41 H new ATOM 0 HD22 ASN A 139 8.589 6.377 -6.063 1.00 21.41 H new ATOM 2289 N ARG A 140 10.303 7.426 -12.122 1.00 5.03 N ATOM 2290 CA ARG A 140 10.879 6.898 -13.365 1.00 23.34 C ATOM 2291 C ARG A 140 12.002 7.804 -13.902 1.00 64.52 C ATOM 2292 O ARG A 140 12.930 7.329 -14.551 1.00 32.35 O ATOM 2293 CB ARG A 140 9.786 6.712 -14.435 1.00 51.42 C ATOM 2294 CG ARG A 140 9.110 8.007 -14.875 1.00 70.13 C ATOM 2295 CD ARG A 140 7.992 7.752 -15.882 1.00 11.31 C ATOM 2296 NE ARG A 140 7.278 8.981 -16.224 1.00 54.35 N ATOM 2297 CZ ARG A 140 6.067 9.017 -16.707 1.00 44.05 C ATOM 2298 NH1 ARG A 140 5.421 7.925 -16.970 1.00 71.51 N ATOM 2299 NH2 ARG A 140 5.506 10.156 -16.940 1.00 52.43 N ATOM 0 H ARG A 140 9.309 7.647 -12.179 1.00 5.03 H new ATOM 0 HA ARG A 140 11.316 5.927 -13.134 1.00 23.34 H new ATOM 0 HB2 ARG A 140 10.227 6.231 -15.308 1.00 51.42 H new ATOM 0 HB3 ARG A 140 9.026 6.033 -14.047 1.00 51.42 H new ATOM 0 HG2 ARG A 140 8.703 8.519 -14.003 1.00 70.13 H new ATOM 0 HG3 ARG A 140 9.852 8.672 -15.317 1.00 70.13 H new ATOM 0 HD2 ARG A 140 8.411 7.312 -16.787 1.00 11.31 H new ATOM 0 HD3 ARG A 140 7.290 7.027 -15.470 1.00 11.31 H new ATOM 0 HE ARG A 140 7.758 9.868 -16.075 1.00 54.35 H new ATOM 0 HH11 ARG A 140 5.859 7.020 -16.800 1.00 71.51 H new ATOM 0 HH12 ARG A 140 4.474 7.971 -17.347 1.00 71.51 H new ATOM 0 HH21 ARG A 140 6.010 11.022 -16.746 1.00 52.43 H new ATOM 0 HH22 ARG A 140 4.559 10.190 -17.318 1.00 52.43 H new ATOM 2313 N ARG A 141 11.913 9.103 -13.608 1.00 50.30 N ATOM 2314 CA ARG A 141 12.906 10.081 -14.069 1.00 23.24 C ATOM 2315 C ARG A 141 14.134 10.142 -13.139 1.00 51.33 C ATOM 2316 O ARG A 141 15.270 9.978 -13.585 1.00 61.21 O ATOM 2317 CB ARG A 141 12.254 11.468 -14.169 1.00 40.12 C ATOM 2318 CG ARG A 141 13.198 12.569 -14.638 1.00 43.01 C ATOM 2319 CD ARG A 141 12.503 13.924 -14.682 1.00 2.24 C ATOM 2320 NE ARG A 141 13.416 14.997 -15.074 1.00 43.41 N ATOM 2321 CZ ARG A 141 13.120 16.266 -15.019 1.00 41.21 C ATOM 2322 NH1 ARG A 141 11.953 16.652 -14.608 1.00 60.21 N ATOM 2323 NH2 ARG A 141 13.990 17.149 -15.388 1.00 74.12 N ATOM 0 H ARG A 141 11.160 9.505 -13.050 1.00 50.30 H new ATOM 0 HA ARG A 141 13.257 9.763 -15.051 1.00 23.24 H new ATOM 0 HB2 ARG A 141 11.410 11.412 -14.856 1.00 40.12 H new ATOM 0 HB3 ARG A 141 11.853 11.740 -13.193 1.00 40.12 H new ATOM 0 HG2 ARG A 141 14.057 12.622 -13.969 1.00 43.01 H new ATOM 0 HG3 ARG A 141 13.580 12.323 -15.629 1.00 43.01 H new ATOM 0 HD2 ARG A 141 11.671 13.882 -15.385 1.00 2.24 H new ATOM 0 HD3 ARG A 141 12.082 14.147 -13.702 1.00 2.24 H new ATOM 0 HE ARG A 141 14.343 14.737 -15.412 1.00 43.41 H new ATOM 0 HH11 ARG A 141 11.258 15.961 -14.324 1.00 60.21 H new ATOM 0 HH12 ARG A 141 11.730 17.646 -14.568 1.00 60.21 H new ATOM 0 HH21 ARG A 141 14.907 16.853 -15.722 1.00 74.12 H new ATOM 0 HH22 ARG A 141 13.759 18.142 -15.345 1.00 74.12 H new ATOM 2337 N GLU A 142 13.899 10.388 -11.853 1.00 74.14 N ATOM 2338 CA GLU A 142 14.983 10.502 -10.864 1.00 52.35 C ATOM 2339 C GLU A 142 15.794 9.200 -10.757 1.00 54.02 C ATOM 2340 O GLU A 142 17.020 9.225 -10.627 1.00 15.11 O ATOM 2341 CB GLU A 142 14.409 10.862 -9.484 1.00 64.32 C ATOM 2342 CG GLU A 142 13.633 12.178 -9.455 1.00 61.34 C ATOM 2343 CD GLU A 142 12.954 12.433 -8.116 1.00 13.24 C ATOM 2344 OE1 GLU A 142 11.889 11.838 -7.861 1.00 74.43 O ATOM 2345 OE2 GLU A 142 13.481 13.230 -7.310 1.00 52.00 O ATOM 0 H GLU A 142 12.965 10.514 -11.464 1.00 74.14 H new ATOM 0 HA GLU A 142 15.651 11.294 -11.203 1.00 52.35 H new ATOM 0 HB2 GLU A 142 13.751 10.058 -9.155 1.00 64.32 H new ATOM 0 HB3 GLU A 142 15.227 10.919 -8.766 1.00 64.32 H new ATOM 0 HG2 GLU A 142 14.313 13.001 -9.675 1.00 61.34 H new ATOM 0 HG3 GLU A 142 12.880 12.168 -10.243 1.00 61.34 H new ATOM 2352 N GLY A 143 15.101 8.064 -10.816 1.00 2.31 N ATOM 2353 CA GLY A 143 15.761 6.768 -10.678 1.00 71.21 C ATOM 2354 C GLY A 143 16.188 6.153 -12.009 1.00 1.02 C ATOM 2355 O GLY A 143 15.925 4.977 -12.264 1.00 65.13 O ATOM 0 H GLY A 143 14.092 8.015 -10.957 1.00 2.31 H new ATOM 0 HA2 GLY A 143 16.639 6.883 -10.042 1.00 71.21 H new ATOM 0 HA3 GLY A 143 15.087 6.079 -10.169 1.00 71.21 H new ATOM 2359 N ARG A 144 16.848 6.937 -12.858 1.00 60.43 N ATOM 2360 CA ARG A 144 17.359 6.432 -14.142 1.00 45.13 C ATOM 2361 C ARG A 144 18.567 7.246 -14.624 1.00 62.34 C ATOM 2362 O ARG A 144 18.866 8.317 -14.088 1.00 34.31 O ATOM 2363 CB ARG A 144 16.262 6.464 -15.220 1.00 70.31 C ATOM 2364 CG ARG A 144 15.926 7.866 -15.722 1.00 70.00 C ATOM 2365 CD ARG A 144 14.898 7.840 -16.849 1.00 53.24 C ATOM 2366 NE ARG A 144 15.311 6.965 -17.944 1.00 21.43 N ATOM 2367 CZ ARG A 144 15.790 7.381 -19.081 1.00 52.51 C ATOM 2368 NH1 ARG A 144 15.959 8.642 -19.311 1.00 72.04 N ATOM 2369 NH2 ARG A 144 16.106 6.521 -19.992 1.00 1.24 N ATOM 0 H ARG A 144 17.044 7.923 -12.686 1.00 60.43 H new ATOM 0 HA ARG A 144 17.674 5.401 -13.978 1.00 45.13 H new ATOM 0 HB2 ARG A 144 16.579 5.853 -16.065 1.00 70.31 H new ATOM 0 HB3 ARG A 144 15.358 6.007 -14.818 1.00 70.31 H new ATOM 0 HG2 ARG A 144 15.543 8.464 -14.896 1.00 70.00 H new ATOM 0 HG3 ARG A 144 16.836 8.353 -16.073 1.00 70.00 H new ATOM 0 HD2 ARG A 144 13.938 7.503 -16.457 1.00 53.24 H new ATOM 0 HD3 ARG A 144 14.750 8.851 -17.228 1.00 53.24 H new ATOM 0 HE ARG A 144 15.218 5.958 -17.808 1.00 21.43 H new ATOM 0 HH11 ARG A 144 15.716 9.328 -18.596 1.00 72.04 H new ATOM 0 HH12 ARG A 144 16.335 8.951 -20.207 1.00 72.04 H new ATOM 0 HH21 ARG A 144 15.980 5.524 -19.818 1.00 1.24 H new ATOM 0 HH22 ARG A 144 16.482 6.839 -20.885 1.00 1.24 H new ATOM 2383 N ARG A 145 19.257 6.733 -15.640 1.00 35.42 N ATOM 2384 CA ARG A 145 20.391 7.439 -16.254 1.00 42.01 C ATOM 2385 C ARG A 145 20.191 7.590 -17.780 1.00 40.40 C ATOM 2386 O ARG A 145 19.557 8.577 -18.206 1.00 37.38 O ATOM 2387 CB ARG A 145 21.704 6.689 -15.962 1.00 5.10 C ATOM 2388 CG ARG A 145 22.063 6.584 -14.480 1.00 24.22 C ATOM 2389 CD ARG A 145 22.318 7.952 -13.852 1.00 54.14 C ATOM 2390 NE ARG A 145 22.786 7.837 -12.471 1.00 30.04 N ATOM 2391 CZ ARG A 145 23.065 8.855 -11.701 1.00 33.20 C ATOM 2392 NH1 ARG A 145 22.950 10.071 -12.132 1.00 52.35 N ATOM 2393 NH2 ARG A 145 23.466 8.648 -10.490 1.00 4.32 N ATOM 2394 OXT ARG A 145 20.666 6.713 -18.540 1.00 37.38 O ATOM 0 H ARG A 145 19.053 5.827 -16.061 1.00 35.42 H new ATOM 0 HA ARG A 145 20.446 8.437 -15.819 1.00 42.01 H new ATOM 0 HB2 ARG A 145 21.632 5.684 -16.377 1.00 5.10 H new ATOM 0 HB3 ARG A 145 22.518 7.192 -16.484 1.00 5.10 H new ATOM 0 HG2 ARG A 145 21.254 6.086 -13.946 1.00 24.22 H new ATOM 0 HG3 ARG A 145 22.951 5.962 -14.366 1.00 24.22 H new ATOM 0 HD2 ARG A 145 23.059 8.491 -14.443 1.00 54.14 H new ATOM 0 HD3 ARG A 145 21.401 8.540 -13.877 1.00 54.14 H new ATOM 0 HE ARG A 145 22.902 6.901 -12.084 1.00 30.04 H new ATOM 0 HH11 ARG A 145 22.637 10.246 -13.087 1.00 52.35 H new ATOM 0 HH12 ARG A 145 23.172 10.853 -11.517 1.00 52.35 H new ATOM 0 HH21 ARG A 145 23.563 7.695 -10.141 1.00 4.32 H new ATOM 0 HH22 ARG A 145 23.686 9.438 -9.883 1.00 4.32 H new TER 2408 ARG A 145