USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1184 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 108 THR OG1 : rot -137:sc= 1.17 USER MOD Set 1.2: A 127 SER OG : rot -108:sc= 0.814 USER MOD Set 1.3: A 143 MET CE :methyl -143:sc= -0.46 (180deg=-2.7!) USER MOD Set 2.1: A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0627) USER MOD Set 2.2: A 78 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.8!) USER MOD Single : A 4 SER OG : rot -100:sc= 0.212 USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= -1.13 (180deg=-1.79) USER MOD Single : A 13 SER OG : rot 58:sc= -0.103 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -135:sc= 0.11 (180deg=-0.587) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.24 F(o=-1.8,f=-0.24) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0324 USER MOD Single : A 53 HIS : no HE2:sc= -0.343 K(o=-0.34,f=-1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 63 TYR OH : rot -22:sc= 0.333 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 161:sc= -0.0711 (180deg=-0.481) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= -1.11 (180deg=-2.99!) USER MOD Single : A 80 THR OG1 : rot -144:sc= 0.255 USER MOD Single : A 81 THR OG1 : rot 155:sc= 0.142 USER MOD Single : A 87 HIS : no HE2:sc= 0.112 K(o=0.11,f=-2.1) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -3.04! C(o=-3!,f=-3.8!) USER MOD Single : A 111 THR OG1 : rot -88:sc= 0.234 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.56 K(o=-0.56,f=-6.6!) USER MOD Single : A 121 THR OG1 : rot 83:sc= 0.359 USER MOD Single : A 123 MET CE :methyl -112:sc= -0.829 (180deg=-2.45) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot -101:sc= -1.58! USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.4!) USER MOD Single : A 135 MET CE :methyl 175:sc= -0.891 (180deg=-0.937) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0699) USER MOD Single : A 138 MET CE :methyl 162:sc= -0.864 (180deg=-1.7) USER MOD Single : A 141 MET CE :methyl -160:sc= -0.11 (180deg=-0.837) USER MOD Single : A 147 MET CE :methyl -123:sc= -0.759 (180deg=-1.61) USER MOD Single : A 153 GLN :FLIP amide:sc= -1.15 F(o=-3.1!,f=-1.2) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 -9.754 0.616 -9.035 1.00 74.10 N ATOM 18 CA VAL A 2 -8.739 -0.345 -9.531 1.00 12.25 C ATOM 19 C VAL A 2 -9.093 -0.780 -10.979 1.00 54.41 C ATOM 20 O VAL A 2 -9.710 -1.828 -11.210 1.00 74.44 O ATOM 21 CB VAL A 2 -8.518 -1.580 -8.580 1.00 15.13 C ATOM 22 CG1 VAL A 2 -7.412 -2.520 -9.116 1.00 42.21 C ATOM 23 CG2 VAL A 2 -8.181 -1.127 -7.146 1.00 22.12 C ATOM 0 HA VAL A 2 -7.780 0.173 -9.538 1.00 12.25 H new ATOM 0 HB VAL A 2 -9.455 -2.136 -8.556 1.00 15.13 H new ATOM 0 HG11 VAL A 2 -7.287 -3.361 -8.434 1.00 42.21 H new ATOM 0 HG12 VAL A 2 -7.695 -2.891 -10.101 1.00 42.21 H new ATOM 0 HG13 VAL A 2 -6.473 -1.971 -9.191 1.00 42.21 H new ATOM 0 HG21 VAL A 2 -8.034 -2.002 -6.513 1.00 22.12 H new ATOM 0 HG22 VAL A 2 -7.269 -0.530 -7.158 1.00 22.12 H new ATOM 0 HG23 VAL A 2 -9.001 -0.528 -6.751 1.00 22.12 H new ATOM 33 N VAL A 3 -8.748 0.091 -11.940 1.00 41.50 N ATOM 34 CA VAL A 3 -9.110 -0.090 -13.363 1.00 30.43 C ATOM 35 C VAL A 3 -8.263 -1.192 -14.059 1.00 21.31 C ATOM 36 O VAL A 3 -8.643 -1.679 -15.129 1.00 12.45 O ATOM 37 CB VAL A 3 -9.016 1.275 -14.145 1.00 65.11 C ATOM 38 CG1 VAL A 3 -10.061 2.289 -13.607 1.00 3.24 C ATOM 39 CG2 VAL A 3 -7.590 1.877 -14.072 1.00 14.33 C ATOM 0 H VAL A 3 -8.212 0.939 -11.758 1.00 41.50 H new ATOM 0 HA VAL A 3 -10.145 -0.431 -13.385 1.00 30.43 H new ATOM 0 HB VAL A 3 -9.237 1.068 -15.192 1.00 65.11 H new ATOM 0 HG11 VAL A 3 -9.979 3.224 -14.161 1.00 3.24 H new ATOM 0 HG12 VAL A 3 -11.063 1.880 -13.733 1.00 3.24 H new ATOM 0 HG13 VAL A 3 -9.876 2.476 -12.549 1.00 3.24 H new ATOM 0 HG21 VAL A 3 -7.563 2.817 -14.622 1.00 14.33 H new ATOM 0 HG22 VAL A 3 -7.325 2.058 -13.031 1.00 14.33 H new ATOM 0 HG23 VAL A 3 -6.877 1.179 -14.512 1.00 14.33 H new ATOM 49 N SER A 4 -7.130 -1.583 -13.439 1.00 22.42 N ATOM 50 CA SER A 4 -6.279 -2.692 -13.932 1.00 12.13 C ATOM 51 C SER A 4 -5.395 -3.256 -12.801 1.00 54.23 C ATOM 52 O SER A 4 -4.845 -2.499 -11.995 1.00 45.32 O ATOM 53 CB SER A 4 -5.385 -2.220 -15.104 1.00 21.30 C ATOM 54 OG SER A 4 -4.620 -3.293 -15.642 1.00 52.25 O ATOM 0 H SER A 4 -6.779 -1.144 -12.588 1.00 22.42 H new ATOM 0 HA SER A 4 -6.941 -3.482 -14.287 1.00 12.13 H new ATOM 0 HB2 SER A 4 -6.008 -1.788 -15.887 1.00 21.30 H new ATOM 0 HB3 SER A 4 -4.716 -1.432 -14.758 1.00 21.30 H new ATOM 0 HG SER A 4 -3.708 -3.255 -15.286 1.00 52.25 H new ATOM 60 N VAL A 5 -5.282 -4.594 -12.749 1.00 43.24 N ATOM 61 CA VAL A 5 -4.360 -5.312 -11.837 1.00 42.22 C ATOM 62 C VAL A 5 -3.284 -6.029 -12.683 1.00 44.44 C ATOM 63 O VAL A 5 -3.587 -7.007 -13.376 1.00 31.40 O ATOM 64 CB VAL A 5 -5.112 -6.376 -10.938 1.00 41.00 C ATOM 65 CG1 VAL A 5 -4.141 -7.050 -9.926 1.00 73.33 C ATOM 66 CG2 VAL A 5 -6.318 -5.744 -10.208 1.00 60.44 C ATOM 0 H VAL A 5 -5.830 -5.218 -13.342 1.00 43.24 H new ATOM 0 HA VAL A 5 -3.909 -4.579 -11.168 1.00 42.22 H new ATOM 0 HB VAL A 5 -5.493 -7.152 -11.602 1.00 41.00 H new ATOM 0 HG11 VAL A 5 -4.689 -7.775 -9.324 1.00 73.33 H new ATOM 0 HG12 VAL A 5 -3.344 -7.558 -10.469 1.00 73.33 H new ATOM 0 HG13 VAL A 5 -3.709 -6.290 -9.275 1.00 73.33 H new ATOM 0 HG21 VAL A 5 -6.812 -6.501 -9.599 1.00 60.44 H new ATOM 0 HG22 VAL A 5 -5.971 -4.933 -9.567 1.00 60.44 H new ATOM 0 HG23 VAL A 5 -7.022 -5.351 -10.941 1.00 60.44 H new ATOM 76 N ASP A 6 -2.047 -5.522 -12.649 1.00 22.11 N ATOM 77 CA ASP A 6 -0.914 -6.090 -13.420 1.00 44.22 C ATOM 78 C ASP A 6 0.083 -6.775 -12.461 1.00 32.20 C ATOM 79 O ASP A 6 0.453 -6.196 -11.445 1.00 23.44 O ATOM 80 CB ASP A 6 -0.198 -4.963 -14.212 1.00 44.50 C ATOM 81 CG ASP A 6 -1.180 -4.104 -15.026 1.00 42.32 C ATOM 82 OD1 ASP A 6 -1.723 -3.120 -14.468 1.00 41.44 O ATOM 83 OD2 ASP A 6 -1.431 -4.409 -16.212 1.00 45.34 O ATOM 0 H ASP A 6 -1.794 -4.707 -12.090 1.00 22.11 H new ATOM 0 HA ASP A 6 -1.296 -6.831 -14.122 1.00 44.22 H new ATOM 0 HB2 ASP A 6 0.349 -4.325 -13.517 1.00 44.50 H new ATOM 0 HB3 ASP A 6 0.537 -5.406 -14.884 1.00 44.50 H new ATOM 88 N LYS A 7 0.499 -8.007 -12.783 1.00 0.42 N ATOM 89 CA LYS A 7 1.526 -8.744 -12.009 1.00 35.24 C ATOM 90 C LYS A 7 2.551 -9.370 -12.974 1.00 73.33 C ATOM 91 O LYS A 7 2.264 -10.373 -13.632 1.00 4.21 O ATOM 92 CB LYS A 7 0.853 -9.821 -11.110 1.00 65.34 C ATOM 93 CG LYS A 7 1.815 -10.542 -10.128 1.00 14.32 C ATOM 94 CD LYS A 7 1.060 -11.430 -9.109 1.00 12.14 C ATOM 95 CE LYS A 7 2.001 -12.164 -8.136 1.00 43.10 C ATOM 96 NZ LYS A 7 1.256 -12.953 -7.124 1.00 34.32 N ATOM 0 H LYS A 7 0.139 -8.526 -13.584 1.00 0.42 H new ATOM 0 HA LYS A 7 2.055 -8.053 -11.353 1.00 35.24 H new ATOM 0 HB2 LYS A 7 0.057 -9.348 -10.535 1.00 65.34 H new ATOM 0 HB3 LYS A 7 0.384 -10.568 -11.751 1.00 65.34 H new ATOM 0 HG2 LYS A 7 2.514 -11.157 -10.694 1.00 14.32 H new ATOM 0 HG3 LYS A 7 2.406 -9.800 -9.591 1.00 14.32 H new ATOM 0 HD2 LYS A 7 0.368 -10.811 -8.538 1.00 12.14 H new ATOM 0 HD3 LYS A 7 0.461 -12.163 -9.649 1.00 12.14 H new ATOM 0 HE2 LYS A 7 2.658 -12.827 -8.699 1.00 43.10 H new ATOM 0 HE3 LYS A 7 2.638 -11.437 -7.631 1.00 43.10 H new ATOM 0 HZ1 LYS A 7 1.872 -13.700 -6.744 1.00 34.32 H new ATOM 0 HZ2 LYS A 7 0.952 -12.327 -6.351 1.00 34.32 H new ATOM 0 HZ3 LYS A 7 0.421 -13.386 -7.567 1.00 34.32 H new ATOM 110 N ASP A 8 3.731 -8.739 -13.075 1.00 43.31 N ATOM 111 CA ASP A 8 4.803 -9.154 -14.001 1.00 64.23 C ATOM 112 C ASP A 8 5.833 -10.036 -13.272 1.00 34.34 C ATOM 113 O ASP A 8 6.723 -9.534 -12.582 1.00 61.21 O ATOM 114 CB ASP A 8 5.480 -7.906 -14.618 1.00 42.00 C ATOM 115 CG ASP A 8 4.460 -6.983 -15.299 1.00 24.45 C ATOM 116 OD1 ASP A 8 4.184 -7.165 -16.507 1.00 42.43 O ATOM 117 OD2 ASP A 8 3.907 -6.094 -14.618 1.00 12.43 O ATOM 0 H ASP A 8 3.972 -7.922 -12.515 1.00 43.31 H new ATOM 0 HA ASP A 8 4.367 -9.744 -14.807 1.00 64.23 H new ATOM 0 HB2 ASP A 8 6.006 -7.355 -13.838 1.00 42.00 H new ATOM 0 HB3 ASP A 8 6.228 -8.221 -15.346 1.00 42.00 H new ATOM 122 N VAL A 9 5.688 -11.361 -13.435 1.00 12.25 N ATOM 123 CA VAL A 9 6.565 -12.367 -12.781 1.00 31.10 C ATOM 124 C VAL A 9 8.000 -12.315 -13.376 1.00 15.32 C ATOM 125 O VAL A 9 8.985 -12.650 -12.709 1.00 15.22 O ATOM 126 CB VAL A 9 5.972 -13.826 -12.913 1.00 21.11 C ATOM 127 CG1 VAL A 9 6.644 -14.810 -11.914 1.00 62.24 C ATOM 128 CG2 VAL A 9 4.436 -13.822 -12.731 1.00 62.23 C ATOM 0 H VAL A 9 4.962 -11.773 -14.022 1.00 12.25 H new ATOM 0 HA VAL A 9 6.614 -12.118 -11.721 1.00 31.10 H new ATOM 0 HB VAL A 9 6.194 -14.176 -13.921 1.00 21.11 H new ATOM 0 HG11 VAL A 9 6.211 -15.803 -12.034 1.00 62.24 H new ATOM 0 HG12 VAL A 9 7.715 -14.855 -12.112 1.00 62.24 H new ATOM 0 HG13 VAL A 9 6.478 -14.463 -10.894 1.00 62.24 H new ATOM 0 HG21 VAL A 9 4.056 -14.839 -12.827 1.00 62.23 H new ATOM 0 HG22 VAL A 9 4.188 -13.433 -11.743 1.00 62.23 H new ATOM 0 HG23 VAL A 9 3.981 -13.191 -13.494 1.00 62.23 H new ATOM 138 N GLU A 10 8.080 -11.844 -14.634 1.00 14.44 N ATOM 139 CA GLU A 10 9.345 -11.615 -15.376 1.00 55.25 C ATOM 140 C GLU A 10 10.190 -10.527 -14.674 1.00 3.33 C ATOM 141 O GLU A 10 11.416 -10.636 -14.561 1.00 12.45 O ATOM 142 CB GLU A 10 9.057 -11.155 -16.845 1.00 21.15 C ATOM 143 CG GLU A 10 8.110 -12.059 -17.681 1.00 41.41 C ATOM 144 CD GLU A 10 6.612 -11.963 -17.305 1.00 73.44 C ATOM 145 OE1 GLU A 10 6.142 -10.866 -16.934 1.00 34.34 O ATOM 146 OE2 GLU A 10 5.910 -12.989 -17.339 1.00 61.43 O ATOM 0 H GLU A 10 7.252 -11.605 -15.180 1.00 14.44 H new ATOM 0 HA GLU A 10 9.892 -12.557 -15.394 1.00 55.25 H new ATOM 0 HB2 GLU A 10 8.630 -10.153 -16.811 1.00 21.15 H new ATOM 0 HB3 GLU A 10 10.008 -11.079 -17.371 1.00 21.15 H new ATOM 0 HG2 GLU A 10 8.222 -11.801 -18.734 1.00 41.41 H new ATOM 0 HG3 GLU A 10 8.431 -13.095 -17.571 1.00 41.41 H new ATOM 153 N ALA A 11 9.492 -9.473 -14.219 1.00 5.20 N ATOM 154 CA ALA A 11 10.093 -8.329 -13.499 1.00 55.52 C ATOM 155 C ALA A 11 10.065 -8.533 -11.962 1.00 50.13 C ATOM 156 O ALA A 11 10.581 -7.684 -11.224 1.00 12.13 O ATOM 157 CB ALA A 11 9.336 -7.041 -13.877 1.00 5.31 C ATOM 0 H ALA A 11 8.483 -9.387 -14.340 1.00 5.20 H new ATOM 0 HA ALA A 11 11.139 -8.250 -13.795 1.00 55.52 H new ATOM 0 HB1 ALA A 11 9.774 -6.194 -13.350 1.00 5.31 H new ATOM 0 HB2 ALA A 11 9.411 -6.877 -14.952 1.00 5.31 H new ATOM 0 HB3 ALA A 11 8.287 -7.140 -13.597 1.00 5.31 H new ATOM 163 N LEU A 12 9.447 -9.652 -11.497 1.00 43.35 N ATOM 164 CA LEU A 12 9.158 -9.919 -10.057 1.00 62.21 C ATOM 165 C LEU A 12 8.378 -8.751 -9.397 1.00 1.45 C ATOM 166 O LEU A 12 8.450 -8.547 -8.196 1.00 14.22 O ATOM 167 CB LEU A 12 10.466 -10.237 -9.271 1.00 72.13 C ATOM 168 CG LEU A 12 11.231 -11.522 -9.716 1.00 11.42 C ATOM 169 CD1 LEU A 12 12.534 -11.705 -8.907 1.00 3.42 C ATOM 170 CD2 LEU A 12 10.326 -12.773 -9.621 1.00 52.22 C ATOM 0 H LEU A 12 9.132 -10.401 -12.114 1.00 43.35 H new ATOM 0 HA LEU A 12 8.517 -10.799 -10.015 1.00 62.21 H new ATOM 0 HB2 LEU A 12 11.140 -9.385 -9.365 1.00 72.13 H new ATOM 0 HB3 LEU A 12 10.218 -10.333 -8.214 1.00 72.13 H new ATOM 0 HG LEU A 12 11.510 -11.397 -10.762 1.00 11.42 H new ATOM 0 HD11 LEU A 12 13.045 -12.609 -9.240 1.00 3.42 H new ATOM 0 HD12 LEU A 12 13.183 -10.843 -9.062 1.00 3.42 H new ATOM 0 HD13 LEU A 12 12.295 -11.793 -7.847 1.00 3.42 H new ATOM 0 HD21 LEU A 12 10.887 -13.653 -9.937 1.00 52.22 H new ATOM 0 HD22 LEU A 12 9.995 -12.905 -8.591 1.00 52.22 H new ATOM 0 HD23 LEU A 12 9.458 -12.644 -10.268 1.00 52.22 H new ATOM 182 N SER A 13 7.602 -8.021 -10.205 1.00 22.13 N ATOM 183 CA SER A 13 6.892 -6.798 -9.777 1.00 14.03 C ATOM 184 C SER A 13 5.373 -7.016 -9.799 1.00 74.34 C ATOM 185 O SER A 13 4.864 -7.864 -10.538 1.00 55.11 O ATOM 186 CB SER A 13 7.269 -5.619 -10.704 1.00 31.04 C ATOM 187 OG SER A 13 8.665 -5.363 -10.680 1.00 53.30 O ATOM 0 H SER A 13 7.444 -8.259 -11.184 1.00 22.13 H new ATOM 0 HA SER A 13 7.192 -6.564 -8.756 1.00 14.03 H new ATOM 0 HB2 SER A 13 6.957 -5.843 -11.724 1.00 31.04 H new ATOM 0 HB3 SER A 13 6.729 -4.724 -10.394 1.00 31.04 H new ATOM 0 HG SER A 13 9.150 -6.172 -10.946 1.00 53.30 H new ATOM 193 N PHE A 14 4.662 -6.237 -8.981 1.00 4.44 N ATOM 194 CA PHE A 14 3.191 -6.251 -8.923 1.00 22.11 C ATOM 195 C PHE A 14 2.662 -4.799 -8.968 1.00 34.14 C ATOM 196 O PHE A 14 2.683 -4.087 -7.971 1.00 74.02 O ATOM 197 CB PHE A 14 2.752 -6.989 -7.628 1.00 74.14 C ATOM 198 CG PHE A 14 1.250 -7.044 -7.393 1.00 10.23 C ATOM 199 CD1 PHE A 14 0.388 -7.384 -8.429 1.00 64.51 C ATOM 200 CD2 PHE A 14 0.702 -6.762 -6.144 1.00 24.13 C ATOM 201 CE1 PHE A 14 -0.965 -7.435 -8.235 1.00 42.14 C ATOM 202 CE2 PHE A 14 -0.658 -6.816 -5.949 1.00 44.23 C ATOM 203 CZ PHE A 14 -1.491 -7.150 -6.997 1.00 10.34 C ATOM 0 H PHE A 14 5.089 -5.573 -8.335 1.00 4.44 H new ATOM 0 HA PHE A 14 2.772 -6.781 -9.779 1.00 22.11 H new ATOM 0 HB2 PHE A 14 3.136 -8.008 -7.662 1.00 74.14 H new ATOM 0 HB3 PHE A 14 3.220 -6.500 -6.774 1.00 74.14 H new ATOM 0 HD1 PHE A 14 0.793 -7.612 -9.404 1.00 64.51 H new ATOM 0 HD2 PHE A 14 1.351 -6.499 -5.322 1.00 24.13 H new ATOM 0 HE1 PHE A 14 -1.619 -7.699 -9.053 1.00 42.14 H new ATOM 0 HE2 PHE A 14 -1.074 -6.597 -4.977 1.00 44.23 H new ATOM 0 HZ PHE A 14 -2.560 -7.188 -6.844 1.00 10.34 H new ATOM 213 N SER A 15 2.153 -4.394 -10.134 1.00 32.52 N ATOM 214 CA SER A 15 1.751 -2.998 -10.411 1.00 21.51 C ATOM 215 C SER A 15 0.215 -2.854 -10.465 1.00 72.44 C ATOM 216 O SER A 15 -0.434 -3.392 -11.357 1.00 33.34 O ATOM 217 CB SER A 15 2.386 -2.547 -11.745 1.00 62.24 C ATOM 218 OG SER A 15 2.034 -1.212 -12.073 1.00 74.40 O ATOM 0 H SER A 15 2.004 -5.024 -10.923 1.00 32.52 H new ATOM 0 HA SER A 15 2.107 -2.362 -9.601 1.00 21.51 H new ATOM 0 HB2 SER A 15 3.471 -2.630 -11.677 1.00 62.24 H new ATOM 0 HB3 SER A 15 2.064 -3.214 -12.544 1.00 62.24 H new ATOM 0 HG SER A 15 2.455 -0.962 -12.922 1.00 74.40 H new ATOM 224 N ILE A 16 -0.363 -2.106 -9.512 1.00 21.43 N ATOM 225 CA ILE A 16 -1.823 -1.865 -9.458 1.00 53.01 C ATOM 226 C ILE A 16 -2.143 -0.455 -9.984 1.00 33.34 C ATOM 227 O ILE A 16 -1.683 0.549 -9.430 1.00 31.43 O ATOM 228 CB ILE A 16 -2.381 -2.037 -7.996 1.00 45.44 C ATOM 229 CG1 ILE A 16 -2.109 -3.487 -7.489 1.00 51.42 C ATOM 230 CG2 ILE A 16 -3.899 -1.685 -7.910 1.00 42.01 C ATOM 231 CD1 ILE A 16 -2.553 -3.755 -6.066 1.00 74.31 C ATOM 0 H ILE A 16 0.158 -1.653 -8.761 1.00 21.43 H new ATOM 0 HA ILE A 16 -2.310 -2.606 -10.091 1.00 53.01 H new ATOM 0 HB ILE A 16 -1.857 -1.335 -7.348 1.00 45.44 H new ATOM 0 HG12 ILE A 16 -2.615 -4.189 -8.151 1.00 51.42 H new ATOM 0 HG13 ILE A 16 -1.041 -3.690 -7.566 1.00 51.42 H new ATOM 0 HG21 ILE A 16 -4.245 -1.817 -6.885 1.00 42.01 H new ATOM 0 HG22 ILE A 16 -4.050 -0.649 -8.214 1.00 42.01 H new ATOM 0 HG23 ILE A 16 -4.463 -2.343 -8.571 1.00 42.01 H new ATOM 0 HD11 ILE A 16 -2.324 -4.787 -5.802 1.00 74.31 H new ATOM 0 HD12 ILE A 16 -2.028 -3.082 -5.388 1.00 74.31 H new ATOM 0 HD13 ILE A 16 -3.627 -3.589 -5.983 1.00 74.31 H new ATOM 243 N VAL A 17 -2.937 -0.404 -11.061 1.00 4.31 N ATOM 244 CA VAL A 17 -3.343 0.839 -11.729 1.00 51.11 C ATOM 245 C VAL A 17 -4.806 1.179 -11.344 1.00 52.23 C ATOM 246 O VAL A 17 -5.734 0.413 -11.631 1.00 42.21 O ATOM 247 CB VAL A 17 -3.187 0.691 -13.290 1.00 12.02 C ATOM 248 CG1 VAL A 17 -3.689 1.947 -14.051 1.00 23.52 C ATOM 249 CG2 VAL A 17 -1.713 0.373 -13.657 1.00 65.51 C ATOM 0 H VAL A 17 -3.322 -1.240 -11.500 1.00 4.31 H new ATOM 0 HA VAL A 17 -2.699 1.656 -11.403 1.00 51.11 H new ATOM 0 HB VAL A 17 -3.816 -0.142 -13.605 1.00 12.02 H new ATOM 0 HG11 VAL A 17 -3.561 1.798 -15.123 1.00 23.52 H new ATOM 0 HG12 VAL A 17 -4.744 2.109 -13.830 1.00 23.52 H new ATOM 0 HG13 VAL A 17 -3.115 2.818 -13.735 1.00 23.52 H new ATOM 0 HG21 VAL A 17 -1.621 0.274 -14.739 1.00 65.51 H new ATOM 0 HG22 VAL A 17 -1.069 1.182 -13.311 1.00 65.51 H new ATOM 0 HG23 VAL A 17 -1.412 -0.560 -13.180 1.00 65.51 H new ATOM 259 N ALA A 18 -4.991 2.323 -10.674 1.00 43.24 N ATOM 260 CA ALA A 18 -6.313 2.796 -10.205 1.00 42.11 C ATOM 261 C ALA A 18 -6.493 4.298 -10.506 1.00 72.24 C ATOM 262 O ALA A 18 -5.529 5.060 -10.469 1.00 11.21 O ATOM 263 CB ALA A 18 -6.449 2.511 -8.698 1.00 55.14 C ATOM 0 H ALA A 18 -4.227 2.956 -10.437 1.00 43.24 H new ATOM 0 HA ALA A 18 -7.099 2.260 -10.738 1.00 42.11 H new ATOM 0 HB1 ALA A 18 -7.421 2.858 -8.348 1.00 55.14 H new ATOM 0 HB2 ALA A 18 -6.361 1.439 -8.521 1.00 55.14 H new ATOM 0 HB3 ALA A 18 -5.661 3.034 -8.156 1.00 55.14 H new ATOM 269 N GLU A 19 -7.737 4.715 -10.818 1.00 63.20 N ATOM 270 CA GLU A 19 -8.058 6.133 -11.141 1.00 41.12 C ATOM 271 C GLU A 19 -9.142 6.654 -10.189 1.00 63.10 C ATOM 272 O GLU A 19 -10.204 6.055 -10.072 1.00 52.11 O ATOM 273 CB GLU A 19 -8.550 6.260 -12.605 1.00 61.41 C ATOM 274 CG GLU A 19 -7.568 5.711 -13.644 1.00 54.24 C ATOM 275 CD GLU A 19 -8.053 5.893 -15.086 1.00 61.21 C ATOM 276 OE1 GLU A 19 -8.890 5.093 -15.545 1.00 63.24 O ATOM 277 OE2 GLU A 19 -7.599 6.841 -15.765 1.00 40.35 O ATOM 0 H GLU A 19 -8.544 4.092 -10.855 1.00 63.20 H new ATOM 0 HA GLU A 19 -7.152 6.727 -11.021 1.00 41.12 H new ATOM 0 HB2 GLU A 19 -9.500 5.734 -12.705 1.00 61.41 H new ATOM 0 HB3 GLU A 19 -8.743 7.311 -12.822 1.00 61.41 H new ATOM 0 HG2 GLU A 19 -6.606 6.210 -13.525 1.00 54.24 H new ATOM 0 HG3 GLU A 19 -7.403 4.651 -13.454 1.00 54.24 H new ATOM 284 N PHE A 20 -8.881 7.785 -9.536 1.00 55.33 N ATOM 285 CA PHE A 20 -9.797 8.357 -8.523 1.00 75.41 C ATOM 286 C PHE A 20 -10.197 9.785 -8.921 1.00 11.33 C ATOM 287 O PHE A 20 -9.337 10.573 -9.329 1.00 72.14 O ATOM 288 CB PHE A 20 -9.111 8.341 -7.135 1.00 23.31 C ATOM 289 CG PHE A 20 -8.671 6.942 -6.705 1.00 53.03 C ATOM 290 CD1 PHE A 20 -9.616 5.980 -6.354 1.00 42.32 C ATOM 291 CD2 PHE A 20 -7.323 6.582 -6.685 1.00 53.23 C ATOM 292 CE1 PHE A 20 -9.232 4.703 -5.998 1.00 53.21 C ATOM 293 CE2 PHE A 20 -6.938 5.306 -6.322 1.00 22.34 C ATOM 294 CZ PHE A 20 -7.894 4.367 -5.982 1.00 72.23 C ATOM 0 H PHE A 20 -8.036 8.336 -9.686 1.00 55.33 H new ATOM 0 HA PHE A 20 -10.703 7.754 -8.470 1.00 75.41 H new ATOM 0 HB2 PHE A 20 -8.242 8.999 -7.157 1.00 23.31 H new ATOM 0 HB3 PHE A 20 -9.798 8.745 -6.391 1.00 23.31 H new ATOM 0 HD1 PHE A 20 -10.665 6.238 -6.361 1.00 42.32 H new ATOM 0 HD2 PHE A 20 -6.572 7.309 -6.956 1.00 53.23 H new ATOM 0 HE1 PHE A 20 -9.978 3.968 -5.732 1.00 53.21 H new ATOM 0 HE2 PHE A 20 -5.891 5.042 -6.304 1.00 22.34 H new ATOM 0 HZ PHE A 20 -7.593 3.368 -5.703 1.00 72.23 H new ATOM 304 N ASP A 21 -11.504 10.112 -8.810 1.00 12.25 N ATOM 305 CA ASP A 21 -12.016 11.451 -9.153 1.00 32.31 C ATOM 306 C ASP A 21 -11.704 12.429 -7.990 1.00 74.00 C ATOM 307 O ASP A 21 -12.534 12.668 -7.105 1.00 63.13 O ATOM 308 CB ASP A 21 -13.538 11.376 -9.469 1.00 40.14 C ATOM 309 CG ASP A 21 -14.054 12.610 -10.231 1.00 21.31 C ATOM 310 OD1 ASP A 21 -14.432 13.614 -9.594 1.00 34.33 O ATOM 311 OD2 ASP A 21 -14.088 12.573 -11.481 1.00 75.13 O ATOM 0 H ASP A 21 -12.221 9.464 -8.485 1.00 12.25 H new ATOM 0 HA ASP A 21 -11.522 11.826 -10.049 1.00 32.31 H new ATOM 0 HB2 ASP A 21 -13.738 10.481 -10.059 1.00 40.14 H new ATOM 0 HB3 ASP A 21 -14.093 11.273 -8.536 1.00 40.14 H new ATOM 316 N ALA A 22 -10.466 12.949 -8.018 1.00 63.12 N ATOM 317 CA ALA A 22 -9.872 13.797 -6.963 1.00 1.33 C ATOM 318 C ALA A 22 -8.456 14.226 -7.401 1.00 73.33 C ATOM 319 O ALA A 22 -7.864 13.594 -8.278 1.00 45.12 O ATOM 320 CB ALA A 22 -9.810 13.042 -5.616 1.00 24.12 C ATOM 0 H ALA A 22 -9.829 12.788 -8.798 1.00 63.12 H new ATOM 0 HA ALA A 22 -10.497 14.679 -6.821 1.00 1.33 H new ATOM 0 HB1 ALA A 22 -9.369 13.688 -4.857 1.00 24.12 H new ATOM 0 HB2 ALA A 22 -10.817 12.759 -5.311 1.00 24.12 H new ATOM 0 HB3 ALA A 22 -9.200 12.146 -5.729 1.00 24.12 H new ATOM 326 N ASP A 23 -7.890 15.256 -6.754 1.00 3.32 N ATOM 327 CA ASP A 23 -6.567 15.808 -7.146 1.00 43.23 C ATOM 328 C ASP A 23 -5.408 14.996 -6.524 1.00 74.31 C ATOM 329 O ASP A 23 -5.619 14.153 -5.645 1.00 71.34 O ATOM 330 CB ASP A 23 -6.453 17.296 -6.747 1.00 30.15 C ATOM 331 CG ASP A 23 -6.677 17.524 -5.249 1.00 4.13 C ATOM 332 OD1 ASP A 23 -7.848 17.538 -4.817 1.00 20.30 O ATOM 333 OD2 ASP A 23 -5.690 17.663 -4.493 1.00 54.44 O ATOM 0 H ASP A 23 -8.319 15.728 -5.958 1.00 3.32 H new ATOM 0 HA ASP A 23 -6.489 15.730 -8.230 1.00 43.23 H new ATOM 0 HB2 ASP A 23 -5.466 17.668 -7.024 1.00 30.15 H new ATOM 0 HB3 ASP A 23 -7.182 17.877 -7.312 1.00 30.15 H new ATOM 338 N VAL A 24 -4.186 15.293 -6.993 1.00 11.31 N ATOM 339 CA VAL A 24 -2.949 14.573 -6.604 1.00 41.05 C ATOM 340 C VAL A 24 -2.676 14.662 -5.091 1.00 74.23 C ATOM 341 O VAL A 24 -2.325 13.674 -4.458 1.00 23.11 O ATOM 342 CB VAL A 24 -1.717 15.133 -7.404 1.00 2.32 C ATOM 343 CG1 VAL A 24 -0.390 14.419 -7.037 1.00 64.51 C ATOM 344 CG2 VAL A 24 -1.971 15.044 -8.914 1.00 62.53 C ATOM 0 H VAL A 24 -4.020 16.047 -7.660 1.00 11.31 H new ATOM 0 HA VAL A 24 -3.097 13.522 -6.851 1.00 41.05 H new ATOM 0 HB VAL A 24 -1.605 16.179 -7.118 1.00 2.32 H new ATOM 0 HG11 VAL A 24 0.426 14.846 -7.620 1.00 64.51 H new ATOM 0 HG12 VAL A 24 -0.187 14.553 -5.975 1.00 64.51 H new ATOM 0 HG13 VAL A 24 -0.476 13.355 -7.259 1.00 64.51 H new ATOM 0 HG21 VAL A 24 -1.108 15.436 -9.452 1.00 62.53 H new ATOM 0 HG22 VAL A 24 -2.132 14.003 -9.195 1.00 62.53 H new ATOM 0 HG23 VAL A 24 -2.854 15.629 -9.170 1.00 62.53 H new ATOM 354 N LYS A 25 -2.876 15.862 -4.527 1.00 12.54 N ATOM 355 CA LYS A 25 -2.668 16.135 -3.092 1.00 32.25 C ATOM 356 C LYS A 25 -3.732 15.436 -2.207 1.00 61.55 C ATOM 357 O LYS A 25 -3.452 15.065 -1.062 1.00 15.20 O ATOM 358 CB LYS A 25 -2.635 17.683 -2.842 1.00 43.23 C ATOM 359 CG LYS A 25 -1.303 18.176 -2.248 1.00 1.22 C ATOM 360 CD LYS A 25 -1.022 17.552 -0.859 1.00 63.25 C ATOM 361 CE LYS A 25 0.403 17.808 -0.393 1.00 41.21 C ATOM 362 NZ LYS A 25 0.622 17.336 0.993 1.00 0.13 N ATOM 0 H LYS A 25 -3.189 16.677 -5.054 1.00 12.54 H new ATOM 0 HA LYS A 25 -1.705 15.715 -2.802 1.00 32.25 H new ATOM 0 HB2 LYS A 25 -2.818 18.200 -3.784 1.00 43.23 H new ATOM 0 HB3 LYS A 25 -3.448 17.952 -2.167 1.00 43.23 H new ATOM 0 HG2 LYS A 25 -0.489 17.928 -2.929 1.00 1.22 H new ATOM 0 HG3 LYS A 25 -1.325 19.262 -2.160 1.00 1.22 H new ATOM 0 HD2 LYS A 25 -1.720 17.963 -0.130 1.00 63.25 H new ATOM 0 HD3 LYS A 25 -1.201 16.478 -0.902 1.00 63.25 H new ATOM 0 HE2 LYS A 25 1.100 17.305 -1.063 1.00 41.21 H new ATOM 0 HE3 LYS A 25 0.618 18.875 -0.452 1.00 41.21 H new ATOM 0 HZ1 LYS A 25 1.141 18.061 1.529 1.00 0.13 H new ATOM 0 HZ2 LYS A 25 -0.296 17.160 1.449 1.00 0.13 H new ATOM 0 HZ3 LYS A 25 1.175 16.455 0.977 1.00 0.13 H new ATOM 376 N ARG A 26 -4.934 15.277 -2.761 1.00 24.35 N ATOM 377 CA ARG A 26 -6.054 14.551 -2.110 1.00 3.34 C ATOM 378 C ARG A 26 -5.730 13.035 -1.983 1.00 23.30 C ATOM 379 O ARG A 26 -5.894 12.436 -0.912 1.00 10.21 O ATOM 380 CB ARG A 26 -7.364 14.747 -2.921 1.00 75.12 C ATOM 381 CG ARG A 26 -8.633 14.165 -2.263 1.00 25.12 C ATOM 382 CD ARG A 26 -9.124 14.971 -1.047 1.00 23.20 C ATOM 383 NE ARG A 26 -9.714 16.261 -1.460 1.00 22.24 N ATOM 384 CZ ARG A 26 -10.945 16.660 -1.190 1.00 65.20 C ATOM 385 NH1 ARG A 26 -11.743 15.933 -0.469 1.00 24.33 N ATOM 386 NH2 ARG A 26 -11.369 17.785 -1.650 1.00 11.04 N ATOM 0 H ARG A 26 -5.172 15.647 -3.681 1.00 24.35 H new ATOM 0 HA ARG A 26 -6.190 14.961 -1.109 1.00 3.34 H new ATOM 0 HB2 ARG A 26 -7.515 15.814 -3.086 1.00 75.12 H new ATOM 0 HB3 ARG A 26 -7.238 14.288 -3.902 1.00 75.12 H new ATOM 0 HG2 ARG A 26 -9.430 14.123 -3.006 1.00 25.12 H new ATOM 0 HG3 ARG A 26 -8.433 13.140 -1.952 1.00 25.12 H new ATOM 0 HD2 ARG A 26 -9.864 14.389 -0.498 1.00 23.20 H new ATOM 0 HD3 ARG A 26 -8.291 15.151 -0.367 1.00 23.20 H new ATOM 0 HE ARG A 26 -9.123 16.896 -1.997 1.00 22.24 H new ATOM 0 HH11 ARG A 26 -11.423 15.037 -0.100 1.00 24.33 H new ATOM 0 HH12 ARG A 26 -12.690 16.258 -0.271 1.00 24.33 H new ATOM 0 HH21 ARG A 26 -10.756 18.366 -2.221 1.00 11.04 H new ATOM 0 HH22 ARG A 26 -12.318 18.095 -1.443 1.00 11.04 H new ATOM 400 N VAL A 27 -5.266 12.433 -3.095 1.00 22.43 N ATOM 401 CA VAL A 27 -4.846 11.009 -3.139 1.00 41.11 C ATOM 402 C VAL A 27 -3.527 10.802 -2.333 1.00 5.51 C ATOM 403 O VAL A 27 -3.271 9.731 -1.811 1.00 61.21 O ATOM 404 CB VAL A 27 -4.684 10.478 -4.620 1.00 64.21 C ATOM 405 CG1 VAL A 27 -4.511 8.932 -4.649 1.00 1.20 C ATOM 406 CG2 VAL A 27 -5.879 10.909 -5.513 1.00 41.24 C ATOM 0 H VAL A 27 -5.170 12.914 -3.989 1.00 22.43 H new ATOM 0 HA VAL A 27 -5.640 10.424 -2.674 1.00 41.11 H new ATOM 0 HB VAL A 27 -3.780 10.930 -5.027 1.00 64.21 H new ATOM 0 HG11 VAL A 27 -4.402 8.597 -5.681 1.00 1.20 H new ATOM 0 HG12 VAL A 27 -3.622 8.655 -4.082 1.00 1.20 H new ATOM 0 HG13 VAL A 27 -5.387 8.459 -4.205 1.00 1.20 H new ATOM 0 HG21 VAL A 27 -5.734 10.527 -6.524 1.00 41.24 H new ATOM 0 HG22 VAL A 27 -6.804 10.506 -5.102 1.00 41.24 H new ATOM 0 HG23 VAL A 27 -5.938 11.997 -5.541 1.00 41.24 H new ATOM 416 N TRP A 28 -2.678 11.839 -2.282 1.00 63.12 N ATOM 417 CA TRP A 28 -1.458 11.854 -1.433 1.00 21.51 C ATOM 418 C TRP A 28 -1.813 11.903 0.076 1.00 14.14 C ATOM 419 O TRP A 28 -1.097 11.333 0.903 1.00 61.42 O ATOM 420 CB TRP A 28 -0.567 13.063 -1.821 1.00 10.45 C ATOM 421 CG TRP A 28 0.749 13.156 -1.070 1.00 33.44 C ATOM 422 CD1 TRP A 28 1.063 13.996 -0.036 1.00 51.32 C ATOM 423 CD2 TRP A 28 1.922 12.365 -1.309 1.00 70.40 C ATOM 424 NE1 TRP A 28 2.352 13.773 0.377 1.00 10.13 N ATOM 425 CE2 TRP A 28 2.898 12.779 -0.391 1.00 0.45 C ATOM 426 CE3 TRP A 28 2.235 11.346 -2.213 1.00 22.22 C ATOM 427 CZ2 TRP A 28 4.170 12.212 -0.357 1.00 5.13 C ATOM 428 CZ3 TRP A 28 3.493 10.791 -2.176 1.00 5.35 C ATOM 429 CH2 TRP A 28 4.448 11.224 -1.251 1.00 5.04 C ATOM 0 H TRP A 28 -2.809 12.693 -2.824 1.00 63.12 H new ATOM 0 HA TRP A 28 -0.909 10.929 -1.608 1.00 21.51 H new ATOM 0 HB2 TRP A 28 -0.356 13.012 -2.889 1.00 10.45 H new ATOM 0 HB3 TRP A 28 -1.131 13.980 -1.651 1.00 10.45 H new ATOM 0 HD1 TRP A 28 0.394 14.728 0.392 1.00 51.32 H new ATOM 0 HE1 TRP A 28 2.826 14.267 1.133 1.00 10.13 H new ATOM 0 HE3 TRP A 28 1.502 11.001 -2.928 1.00 22.22 H new ATOM 0 HZ2 TRP A 28 4.911 12.545 0.355 1.00 5.13 H new ATOM 0 HZ3 TRP A 28 3.748 10.007 -2.874 1.00 5.35 H new ATOM 0 HH2 TRP A 28 5.426 10.765 -1.246 1.00 5.04 H new ATOM 440 N ALA A 29 -2.921 12.589 0.413 1.00 2.24 N ATOM 441 CA ALA A 29 -3.384 12.769 1.815 1.00 14.11 C ATOM 442 C ALA A 29 -3.758 11.435 2.518 1.00 52.21 C ATOM 443 O ALA A 29 -3.707 11.341 3.747 1.00 4.05 O ATOM 444 CB ALA A 29 -4.570 13.738 1.841 1.00 42.34 C ATOM 0 H ALA A 29 -3.526 13.037 -0.275 1.00 2.24 H new ATOM 0 HA ALA A 29 -2.547 13.182 2.378 1.00 14.11 H new ATOM 0 HB1 ALA A 29 -4.909 13.870 2.868 1.00 42.34 H new ATOM 0 HB2 ALA A 29 -4.262 14.701 1.434 1.00 42.34 H new ATOM 0 HB3 ALA A 29 -5.384 13.333 1.239 1.00 42.34 H new ATOM 450 N ILE A 30 -4.134 10.405 1.733 1.00 74.31 N ATOM 451 CA ILE A 30 -4.434 9.051 2.279 1.00 53.21 C ATOM 452 C ILE A 30 -3.135 8.299 2.663 1.00 62.34 C ATOM 453 O ILE A 30 -3.186 7.289 3.335 1.00 10.14 O ATOM 454 CB ILE A 30 -5.259 8.176 1.261 1.00 42.32 C ATOM 455 CG1 ILE A 30 -4.348 7.644 0.109 1.00 10.31 C ATOM 456 CG2 ILE A 30 -6.456 8.979 0.717 1.00 25.11 C ATOM 457 CD1 ILE A 30 -5.057 6.948 -1.026 1.00 61.55 C ATOM 0 H ILE A 30 -4.239 10.477 0.721 1.00 74.31 H new ATOM 0 HA ILE A 30 -5.038 9.206 3.173 1.00 53.21 H new ATOM 0 HB ILE A 30 -5.649 7.305 1.787 1.00 42.32 H new ATOM 0 HG12 ILE A 30 -3.786 8.483 -0.300 1.00 10.31 H new ATOM 0 HG13 ILE A 30 -3.622 6.952 0.536 1.00 10.31 H new ATOM 0 HG21 ILE A 30 -7.018 8.363 0.015 1.00 25.11 H new ATOM 0 HG22 ILE A 30 -7.104 9.271 1.543 1.00 25.11 H new ATOM 0 HG23 ILE A 30 -6.094 9.872 0.208 1.00 25.11 H new ATOM 0 HD11 ILE A 30 -4.326 6.622 -1.766 1.00 61.55 H new ATOM 0 HD12 ILE A 30 -5.596 6.082 -0.642 1.00 61.55 H new ATOM 0 HD13 ILE A 30 -5.762 7.637 -1.491 1.00 61.55 H new ATOM 469 N TRP A 31 -1.989 8.770 2.148 1.00 24.23 N ATOM 470 CA TRP A 31 -0.648 8.247 2.504 1.00 61.13 C ATOM 471 C TRP A 31 0.021 9.126 3.585 1.00 71.32 C ATOM 472 O TRP A 31 0.820 8.642 4.396 1.00 12.10 O ATOM 473 CB TRP A 31 0.246 8.200 1.231 1.00 14.14 C ATOM 474 CG TRP A 31 -0.282 7.282 0.143 1.00 71.23 C ATOM 475 CD1 TRP A 31 -0.899 7.639 -1.029 1.00 61.24 C ATOM 476 CD2 TRP A 31 -0.234 5.847 0.145 1.00 11.33 C ATOM 477 NE1 TRP A 31 -1.238 6.514 -1.742 1.00 72.21 N ATOM 478 CE2 TRP A 31 -0.835 5.404 -1.044 1.00 1.13 C ATOM 479 CE3 TRP A 31 0.266 4.897 1.041 1.00 45.40 C ATOM 480 CZ2 TRP A 31 -0.953 4.051 -1.358 1.00 2.44 C ATOM 481 CZ3 TRP A 31 0.151 3.557 0.730 1.00 61.12 C ATOM 482 CH2 TRP A 31 -0.455 3.142 -0.459 1.00 24.42 C ATOM 0 H TRP A 31 -1.960 9.529 1.468 1.00 24.23 H new ATOM 0 HA TRP A 31 -0.764 7.242 2.909 1.00 61.13 H new ATOM 0 HB2 TRP A 31 0.341 9.208 0.828 1.00 14.14 H new ATOM 0 HB3 TRP A 31 1.247 7.874 1.514 1.00 14.14 H new ATOM 0 HD1 TRP A 31 -1.090 8.654 -1.345 1.00 61.24 H new ATOM 0 HE1 TRP A 31 -1.713 6.506 -2.645 1.00 72.21 H new ATOM 0 HE3 TRP A 31 0.735 5.207 1.963 1.00 45.40 H new ATOM 0 HZ2 TRP A 31 -1.420 3.729 -2.277 1.00 2.44 H new ATOM 0 HZ3 TRP A 31 0.536 2.817 1.417 1.00 61.12 H new ATOM 0 HH2 TRP A 31 -0.533 2.086 -0.674 1.00 24.42 H new ATOM 493 N GLU A 32 -0.330 10.423 3.571 1.00 63.32 N ATOM 494 CA GLU A 32 0.291 11.464 4.411 1.00 42.12 C ATOM 495 C GLU A 32 -0.312 11.504 5.833 1.00 61.21 C ATOM 496 O GLU A 32 0.422 11.530 6.828 1.00 33.12 O ATOM 497 CB GLU A 32 0.140 12.832 3.697 1.00 3.32 C ATOM 498 CG GLU A 32 0.764 14.029 4.433 1.00 71.44 C ATOM 499 CD GLU A 32 0.819 15.293 3.566 1.00 73.55 C ATOM 500 OE1 GLU A 32 -0.160 16.066 3.544 1.00 43.32 O ATOM 501 OE2 GLU A 32 1.842 15.506 2.874 1.00 74.52 O ATOM 0 H GLU A 32 -1.066 10.785 2.965 1.00 63.32 H new ATOM 0 HA GLU A 32 1.348 11.229 4.539 1.00 42.12 H new ATOM 0 HB2 GLU A 32 0.592 12.759 2.708 1.00 3.32 H new ATOM 0 HB3 GLU A 32 -0.921 13.031 3.549 1.00 3.32 H new ATOM 0 HG2 GLU A 32 0.188 14.237 5.335 1.00 71.44 H new ATOM 0 HG3 GLU A 32 1.773 13.768 4.752 1.00 71.44 H new ATOM 508 N ASP A 33 -1.648 11.525 5.919 1.00 10.21 N ATOM 509 CA ASP A 33 -2.371 11.585 7.206 1.00 34.44 C ATOM 510 C ASP A 33 -2.607 10.169 7.784 1.00 34.25 C ATOM 511 O ASP A 33 -3.142 9.306 7.079 1.00 41.22 O ATOM 512 CB ASP A 33 -3.707 12.323 7.012 1.00 74.11 C ATOM 513 CG ASP A 33 -3.499 13.767 6.542 1.00 14.32 C ATOM 514 OD1 ASP A 33 -3.354 14.670 7.399 1.00 73.01 O ATOM 515 OD2 ASP A 33 -3.468 14.005 5.317 1.00 45.52 O ATOM 0 H ASP A 33 -2.261 11.501 5.104 1.00 10.21 H new ATOM 0 HA ASP A 33 -1.760 12.132 7.923 1.00 34.44 H new ATOM 0 HB2 ASP A 33 -4.315 11.788 6.283 1.00 74.11 H new ATOM 0 HB3 ASP A 33 -4.261 12.323 7.950 1.00 74.11 H new ATOM 520 N PRO A 34 -2.222 9.916 9.087 1.00 64.32 N ATOM 521 CA PRO A 34 -2.381 8.583 9.745 1.00 23.22 C ATOM 522 C PRO A 34 -3.848 8.073 9.741 1.00 40.35 C ATOM 523 O PRO A 34 -4.108 6.923 9.381 1.00 41.03 O ATOM 524 CB PRO A 34 -1.879 8.833 11.194 1.00 13.43 C ATOM 525 CG PRO A 34 -0.994 10.037 11.095 1.00 33.32 C ATOM 526 CD PRO A 34 -1.593 10.903 10.013 1.00 33.33 C ATOM 0 HA PRO A 34 -1.828 7.805 9.219 1.00 23.22 H new ATOM 0 HB2 PRO A 34 -2.711 9.010 11.875 1.00 13.43 H new ATOM 0 HB3 PRO A 34 -1.332 7.971 11.576 1.00 13.43 H new ATOM 0 HG2 PRO A 34 -0.953 10.571 12.044 1.00 33.32 H new ATOM 0 HG3 PRO A 34 0.028 9.751 10.846 1.00 33.32 H new ATOM 0 HD2 PRO A 34 -2.328 11.600 10.417 1.00 33.33 H new ATOM 0 HD3 PRO A 34 -0.832 11.499 9.508 1.00 33.33 H new ATOM 534 N ARG A 35 -4.790 8.965 10.130 1.00 15.21 N ATOM 535 CA ARG A 35 -6.251 8.670 10.156 1.00 33.42 C ATOM 536 C ARG A 35 -6.811 8.322 8.754 1.00 53.10 C ATOM 537 O ARG A 35 -7.563 7.352 8.605 1.00 74.45 O ATOM 538 CB ARG A 35 -7.051 9.856 10.783 1.00 10.22 C ATOM 539 CG ARG A 35 -7.197 9.838 12.331 1.00 55.44 C ATOM 540 CD ARG A 35 -5.863 9.901 13.114 1.00 30.15 C ATOM 541 NE ARG A 35 -5.208 8.578 13.280 1.00 54.25 N ATOM 542 CZ ARG A 35 -4.133 8.356 14.008 1.00 51.40 C ATOM 543 NH1 ARG A 35 -3.510 9.313 14.614 1.00 42.52 N ATOM 544 NH2 ARG A 35 -3.679 7.160 14.121 1.00 53.33 N ATOM 0 H ARG A 35 -4.563 9.911 10.436 1.00 15.21 H new ATOM 0 HA ARG A 35 -6.379 7.788 10.783 1.00 33.42 H new ATOM 0 HB2 ARG A 35 -6.565 10.788 10.495 1.00 10.22 H new ATOM 0 HB3 ARG A 35 -8.049 9.867 10.344 1.00 10.22 H new ATOM 0 HG2 ARG A 35 -7.818 10.682 12.632 1.00 55.44 H new ATOM 0 HG3 ARG A 35 -7.728 8.931 12.620 1.00 55.44 H new ATOM 0 HD2 ARG A 35 -5.179 10.573 12.596 1.00 30.15 H new ATOM 0 HD3 ARG A 35 -6.049 10.331 14.098 1.00 30.15 H new ATOM 0 HE ARG A 35 -5.622 7.782 12.794 1.00 54.25 H new ATOM 0 HH11 ARG A 35 -3.849 10.272 14.536 1.00 42.52 H new ATOM 0 HH12 ARG A 35 -2.680 9.109 15.171 1.00 42.52 H new ATOM 0 HH21 ARG A 35 -4.150 6.389 13.648 1.00 53.33 H new ATOM 0 HH22 ARG A 35 -2.847 6.981 14.683 1.00 53.33 H new ATOM 558 N GLN A 36 -6.439 9.117 7.730 1.00 43.23 N ATOM 559 CA GLN A 36 -6.904 8.884 6.342 1.00 40.23 C ATOM 560 C GLN A 36 -6.276 7.617 5.724 1.00 41.42 C ATOM 561 O GLN A 36 -6.845 7.052 4.799 1.00 75.41 O ATOM 562 CB GLN A 36 -6.637 10.110 5.429 1.00 32.14 C ATOM 563 CG GLN A 36 -7.367 11.402 5.859 1.00 51.05 C ATOM 564 CD GLN A 36 -7.398 12.466 4.763 1.00 52.21 C ATOM 565 OE1 GLN A 36 -6.375 13.289 4.688 1.00 33.02 O flip ATOM 566 NE2 GLN A 36 -8.335 12.529 3.971 1.00 51.40 N flip ATOM 0 H GLN A 36 -5.822 9.922 7.834 1.00 43.23 H new ATOM 0 HA GLN A 36 -7.981 8.732 6.405 1.00 40.23 H new ATOM 0 HB2 GLN A 36 -5.565 10.304 5.408 1.00 32.14 H new ATOM 0 HB3 GLN A 36 -6.936 9.861 4.411 1.00 32.14 H new ATOM 0 HG2 GLN A 36 -8.389 11.156 6.147 1.00 51.05 H new ATOM 0 HG3 GLN A 36 -6.877 11.812 6.742 1.00 51.05 H new ATOM 0 HE21 GLN A 36 -9.116 11.878 4.052 1.00 51.40 H new ATOM 0 HE22 GLN A 36 -8.332 13.232 3.232 1.00 51.40 H new ATOM 575 N LEU A 37 -5.108 7.192 6.240 1.00 72.44 N ATOM 576 CA LEU A 37 -4.439 5.949 5.798 1.00 11.53 C ATOM 577 C LEU A 37 -5.127 4.702 6.385 1.00 15.33 C ATOM 578 O LEU A 37 -5.545 3.817 5.642 1.00 32.41 O ATOM 579 CB LEU A 37 -2.936 6.007 6.190 1.00 33.00 C ATOM 580 CG LEU A 37 -2.038 4.777 5.808 1.00 35.32 C ATOM 581 CD1 LEU A 37 -2.149 4.385 4.317 1.00 71.11 C ATOM 582 CD2 LEU A 37 -0.570 5.060 6.176 1.00 42.20 C ATOM 0 H LEU A 37 -4.603 7.694 6.970 1.00 72.44 H new ATOM 0 HA LEU A 37 -4.518 5.870 4.714 1.00 11.53 H new ATOM 0 HB2 LEU A 37 -2.503 6.895 5.730 1.00 33.00 H new ATOM 0 HB3 LEU A 37 -2.875 6.145 7.270 1.00 33.00 H new ATOM 0 HG LEU A 37 -2.407 3.927 6.382 1.00 35.32 H new ATOM 0 HD11 LEU A 37 -1.505 3.529 4.117 1.00 71.11 H new ATOM 0 HD12 LEU A 37 -3.182 4.124 4.085 1.00 71.11 H new ATOM 0 HD13 LEU A 37 -1.839 5.225 3.696 1.00 71.11 H new ATOM 0 HD21 LEU A 37 0.045 4.201 5.907 1.00 42.20 H new ATOM 0 HD22 LEU A 37 -0.222 5.939 5.634 1.00 42.20 H new ATOM 0 HD23 LEU A 37 -0.492 5.241 7.248 1.00 42.20 H new ATOM 594 N GLU A 38 -5.317 4.685 7.717 1.00 44.32 N ATOM 595 CA GLU A 38 -5.956 3.550 8.445 1.00 52.42 C ATOM 596 C GLU A 38 -7.468 3.421 8.132 1.00 30.51 C ATOM 597 O GLU A 38 -8.105 2.424 8.496 1.00 12.52 O ATOM 598 CB GLU A 38 -5.738 3.729 9.967 1.00 4.45 C ATOM 599 CG GLU A 38 -6.409 4.980 10.572 1.00 35.24 C ATOM 600 CD GLU A 38 -5.915 5.343 11.980 1.00 71.23 C ATOM 601 OE1 GLU A 38 -4.692 5.349 12.186 1.00 25.35 O ATOM 602 OE2 GLU A 38 -6.733 5.655 12.874 1.00 14.34 O ATOM 0 H GLU A 38 -5.036 5.452 8.327 1.00 44.32 H new ATOM 0 HA GLU A 38 -5.483 2.629 8.104 1.00 52.42 H new ATOM 0 HB2 GLU A 38 -6.117 2.846 10.481 1.00 4.45 H new ATOM 0 HB3 GLU A 38 -4.667 3.777 10.164 1.00 4.45 H new ATOM 0 HG2 GLU A 38 -6.236 5.828 9.909 1.00 35.24 H new ATOM 0 HG3 GLU A 38 -7.486 4.819 10.608 1.00 35.24 H new ATOM 609 N ARG A 39 -8.024 4.450 7.456 1.00 12.35 N ATOM 610 CA ARG A 39 -9.421 4.474 6.985 1.00 72.51 C ATOM 611 C ARG A 39 -9.693 3.381 5.916 1.00 5.22 C ATOM 612 O ARG A 39 -10.824 2.900 5.763 1.00 22.20 O ATOM 613 CB ARG A 39 -9.715 5.885 6.403 1.00 4.14 C ATOM 614 CG ARG A 39 -11.169 6.113 5.948 1.00 54.31 C ATOM 615 CD ARG A 39 -11.436 7.555 5.484 1.00 2.34 C ATOM 616 NE ARG A 39 -11.031 8.550 6.487 1.00 30.24 N ATOM 617 CZ ARG A 39 -10.989 9.850 6.307 1.00 55.44 C ATOM 618 NH1 ARG A 39 -11.366 10.394 5.187 1.00 65.13 N ATOM 619 NH2 ARG A 39 -10.579 10.599 7.275 1.00 63.32 N ATOM 0 H ARG A 39 -7.506 5.297 7.220 1.00 12.35 H new ATOM 0 HA ARG A 39 -10.081 4.262 7.826 1.00 72.51 H new ATOM 0 HB2 ARG A 39 -9.465 6.631 7.157 1.00 4.14 H new ATOM 0 HB3 ARG A 39 -9.054 6.056 5.554 1.00 4.14 H new ATOM 0 HG2 ARG A 39 -11.401 5.427 5.133 1.00 54.31 H new ATOM 0 HG3 ARG A 39 -11.843 5.871 6.770 1.00 54.31 H new ATOM 0 HD2 ARG A 39 -10.898 7.740 4.554 1.00 2.34 H new ATOM 0 HD3 ARG A 39 -12.498 7.673 5.267 1.00 2.34 H new ATOM 0 HE ARG A 39 -10.758 8.199 7.405 1.00 30.24 H new ATOM 0 HH11 ARG A 39 -11.704 9.808 4.424 1.00 65.13 H new ATOM 0 HH12 ARG A 39 -11.324 11.407 5.072 1.00 65.13 H new ATOM 0 HH21 ARG A 39 -10.295 10.179 8.160 1.00 63.32 H new ATOM 0 HH22 ARG A 39 -10.539 11.611 7.155 1.00 63.32 H new ATOM 633 N TRP A 40 -8.638 2.993 5.183 1.00 4.04 N ATOM 634 CA TRP A 40 -8.726 1.996 4.093 1.00 52.04 C ATOM 635 C TRP A 40 -7.609 0.938 4.175 1.00 63.43 C ATOM 636 O TRP A 40 -7.697 -0.075 3.496 1.00 63.43 O ATOM 637 CB TRP A 40 -8.678 2.715 2.721 1.00 22.34 C ATOM 638 CG TRP A 40 -7.407 3.508 2.498 1.00 52.42 C ATOM 639 CD1 TRP A 40 -7.134 4.766 2.942 1.00 51.13 C ATOM 640 CD2 TRP A 40 -6.239 3.078 1.788 1.00 64.32 C ATOM 641 NE1 TRP A 40 -5.872 5.136 2.563 1.00 14.40 N ATOM 642 CE2 TRP A 40 -5.310 4.122 1.840 1.00 43.25 C ATOM 643 CE3 TRP A 40 -5.900 1.906 1.109 1.00 13.15 C ATOM 644 CZ2 TRP A 40 -4.061 4.034 1.241 1.00 3.00 C ATOM 645 CZ3 TRP A 40 -4.666 1.818 0.511 1.00 42.41 C ATOM 646 CH2 TRP A 40 -3.762 2.877 0.579 1.00 34.33 C ATOM 0 H TRP A 40 -7.697 3.359 5.326 1.00 4.04 H new ATOM 0 HA TRP A 40 -9.675 1.471 4.204 1.00 52.04 H new ATOM 0 HB2 TRP A 40 -8.778 1.974 1.928 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -9.534 3.385 2.641 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -7.815 5.382 3.511 1.00 51.13 H new ATOM 0 HE1 TRP A 40 -5.424 6.025 2.784 1.00 14.40 H new ATOM 0 HE3 TRP A 40 -6.596 1.082 1.055 1.00 13.15 H new ATOM 0 HZ2 TRP A 40 -3.353 4.848 1.296 1.00 3.00 H new ATOM 0 HZ3 TRP A 40 -4.393 0.917 -0.018 1.00 42.41 H new ATOM 0 HH2 TRP A 40 -2.801 2.780 0.096 1.00 34.33 H new ATOM 657 N TRP A 41 -6.552 1.199 4.977 1.00 33.14 N ATOM 658 CA TRP A 41 -5.346 0.329 5.034 1.00 0.41 C ATOM 659 C TRP A 41 -5.699 -1.069 5.606 1.00 31.20 C ATOM 660 O TRP A 41 -5.866 -1.240 6.819 1.00 2.42 O ATOM 661 CB TRP A 41 -4.219 1.018 5.860 1.00 43.10 C ATOM 662 CG TRP A 41 -2.846 0.417 5.661 1.00 14.22 C ATOM 663 CD1 TRP A 41 -2.059 -0.190 6.597 1.00 21.33 C ATOM 664 CD2 TRP A 41 -2.108 0.365 4.427 1.00 13.53 C ATOM 665 NE1 TRP A 41 -0.883 -0.596 6.025 1.00 10.44 N ATOM 666 CE2 TRP A 41 -0.891 -0.271 4.701 1.00 13.44 C ATOM 667 CE3 TRP A 41 -2.355 0.801 3.122 1.00 13.53 C ATOM 668 CZ2 TRP A 41 0.070 -0.489 3.723 1.00 2.34 C ATOM 669 CZ3 TRP A 41 -1.404 0.585 2.155 1.00 24.43 C ATOM 670 CH2 TRP A 41 -0.202 -0.053 2.456 1.00 4.41 C ATOM 0 H TRP A 41 -6.506 2.007 5.597 1.00 33.14 H new ATOM 0 HA TRP A 41 -4.975 0.181 4.020 1.00 0.41 H new ATOM 0 HB2 TRP A 41 -4.183 2.074 5.593 1.00 43.10 H new ATOM 0 HB3 TRP A 41 -4.476 0.965 6.918 1.00 43.10 H new ATOM 0 HD1 TRP A 41 -2.325 -0.329 7.635 1.00 21.33 H new ATOM 0 HE1 TRP A 41 -0.121 -1.067 6.513 1.00 10.44 H new ATOM 0 HE3 TRP A 41 -3.281 1.301 2.878 1.00 13.53 H new ATOM 0 HZ2 TRP A 41 1.000 -0.986 3.955 1.00 2.34 H new ATOM 0 HZ3 TRP A 41 -1.591 0.915 1.144 1.00 24.43 H new ATOM 0 HH2 TRP A 41 0.528 -0.206 1.674 1.00 4.41 H new ATOM 681 N GLY A 42 -5.844 -2.043 4.692 1.00 52.04 N ATOM 682 CA GLY A 42 -6.358 -3.384 5.019 1.00 64.21 C ATOM 683 C GLY A 42 -7.760 -3.622 4.439 1.00 44.51 C ATOM 684 O GLY A 42 -8.404 -2.677 3.975 1.00 50.25 O ATOM 0 H GLY A 42 -5.609 -1.923 3.707 1.00 52.04 H new ATOM 0 HA2 GLY A 42 -5.673 -4.139 4.632 1.00 64.21 H new ATOM 0 HA3 GLY A 42 -6.388 -3.506 6.102 1.00 64.21 H new ATOM 688 N PRO A 43 -8.266 -4.892 4.423 1.00 62.15 N ATOM 689 CA PRO A 43 -9.632 -5.196 3.913 1.00 73.45 C ATOM 690 C PRO A 43 -10.752 -4.672 4.866 1.00 34.13 C ATOM 691 O PRO A 43 -10.462 -4.347 6.023 1.00 13.43 O ATOM 692 CB PRO A 43 -9.616 -6.750 3.793 1.00 30.41 C ATOM 693 CG PRO A 43 -8.625 -7.205 4.823 1.00 1.11 C ATOM 694 CD PRO A 43 -7.565 -6.113 4.906 1.00 52.32 C ATOM 0 HA PRO A 43 -9.859 -4.703 2.968 1.00 73.45 H new ATOM 0 HB2 PRO A 43 -10.604 -7.171 3.981 1.00 30.41 H new ATOM 0 HB3 PRO A 43 -9.320 -7.066 2.793 1.00 30.41 H new ATOM 0 HG2 PRO A 43 -9.108 -7.353 5.789 1.00 1.11 H new ATOM 0 HG3 PRO A 43 -8.180 -8.159 4.540 1.00 1.11 H new ATOM 0 HD2 PRO A 43 -7.201 -5.987 5.926 1.00 52.32 H new ATOM 0 HD3 PRO A 43 -6.700 -6.348 4.286 1.00 52.32 H new ATOM 702 N PRO A 44 -12.045 -4.555 4.384 1.00 21.11 N ATOM 703 CA PRO A 44 -13.201 -4.064 5.216 1.00 74.11 C ATOM 704 C PRO A 44 -13.337 -4.726 6.622 1.00 62.34 C ATOM 705 O PRO A 44 -13.805 -4.091 7.573 1.00 72.34 O ATOM 706 CB PRO A 44 -14.425 -4.406 4.326 1.00 65.32 C ATOM 707 CG PRO A 44 -13.903 -4.305 2.926 1.00 32.42 C ATOM 708 CD PRO A 44 -12.483 -4.838 2.979 1.00 30.15 C ATOM 0 HA PRO A 44 -13.083 -3.008 5.460 1.00 74.11 H new ATOM 0 HB2 PRO A 44 -14.804 -5.406 4.538 1.00 65.32 H new ATOM 0 HB3 PRO A 44 -15.247 -3.710 4.495 1.00 65.32 H new ATOM 0 HG2 PRO A 44 -14.515 -4.887 2.237 1.00 32.42 H new ATOM 0 HG3 PRO A 44 -13.921 -3.273 2.575 1.00 32.42 H new ATOM 0 HD2 PRO A 44 -12.448 -5.904 2.757 1.00 30.15 H new ATOM 0 HD3 PRO A 44 -11.842 -4.339 2.252 1.00 30.15 H new ATOM 716 N THR A 45 -12.920 -6.001 6.725 1.00 3.31 N ATOM 717 CA THR A 45 -13.007 -6.801 7.977 1.00 15.32 C ATOM 718 C THR A 45 -11.787 -6.588 8.919 1.00 11.12 C ATOM 719 O THR A 45 -11.870 -6.882 10.116 1.00 53.40 O ATOM 720 CB THR A 45 -13.155 -8.324 7.637 1.00 13.23 C ATOM 721 OG1 THR A 45 -12.061 -8.752 6.805 1.00 22.30 O ATOM 722 CG2 THR A 45 -14.485 -8.626 6.916 1.00 33.14 C ATOM 0 H THR A 45 -12.511 -6.514 5.944 1.00 3.31 H new ATOM 0 HA THR A 45 -13.890 -6.450 8.511 1.00 15.32 H new ATOM 0 HB THR A 45 -13.146 -8.869 8.581 1.00 13.23 H new ATOM 0 HG1 THR A 45 -12.160 -9.705 6.599 1.00 22.30 H new ATOM 0 HG21 THR A 45 -14.547 -9.692 6.699 1.00 33.14 H new ATOM 0 HG22 THR A 45 -15.319 -8.337 7.555 1.00 33.14 H new ATOM 0 HG23 THR A 45 -14.530 -8.063 5.984 1.00 33.14 H new ATOM 730 N TRP A 46 -10.659 -6.079 8.372 1.00 73.33 N ATOM 731 CA TRP A 46 -9.415 -5.779 9.148 1.00 52.41 C ATOM 732 C TRP A 46 -9.057 -4.260 9.059 1.00 3.40 C ATOM 733 O TRP A 46 -8.281 -3.858 8.177 1.00 74.01 O ATOM 734 CB TRP A 46 -8.213 -6.624 8.622 1.00 42.31 C ATOM 735 CG TRP A 46 -8.344 -8.121 8.782 1.00 73.11 C ATOM 736 CD1 TRP A 46 -9.234 -8.940 8.155 1.00 11.24 C ATOM 737 CD2 TRP A 46 -7.528 -8.975 9.594 1.00 65.34 C ATOM 738 NE1 TRP A 46 -9.053 -10.232 8.557 1.00 24.42 N ATOM 739 CE2 TRP A 46 -8.011 -10.283 9.433 1.00 51.22 C ATOM 740 CE3 TRP A 46 -6.449 -8.756 10.451 1.00 54.42 C ATOM 741 CZ2 TRP A 46 -7.456 -11.371 10.092 1.00 13.33 C ATOM 742 CZ3 TRP A 46 -5.891 -9.836 11.104 1.00 23.13 C ATOM 743 CH2 TRP A 46 -6.395 -11.133 10.924 1.00 35.23 C ATOM 0 H TRP A 46 -10.577 -5.861 7.379 1.00 73.33 H new ATOM 0 HA TRP A 46 -9.607 -6.041 10.189 1.00 52.41 H new ATOM 0 HB2 TRP A 46 -8.071 -6.401 7.564 1.00 42.31 H new ATOM 0 HB3 TRP A 46 -7.310 -6.299 9.140 1.00 42.31 H new ATOM 0 HD1 TRP A 46 -9.977 -8.614 7.442 1.00 11.24 H new ATOM 0 HE1 TRP A 46 -9.609 -11.031 8.251 1.00 24.42 H new ATOM 0 HE3 TRP A 46 -6.058 -7.760 10.600 1.00 54.42 H new ATOM 0 HZ2 TRP A 46 -7.847 -12.368 9.954 1.00 13.33 H new ATOM 0 HZ3 TRP A 46 -5.051 -9.680 11.765 1.00 23.13 H new ATOM 0 HH2 TRP A 46 -5.938 -11.958 11.451 1.00 35.23 H new ATOM 754 N PRO A 47 -9.643 -3.386 9.938 1.00 30.13 N ATOM 755 CA PRO A 47 -9.262 -1.948 10.002 1.00 21.55 C ATOM 756 C PRO A 47 -7.907 -1.730 10.740 1.00 63.21 C ATOM 757 O PRO A 47 -7.674 -2.312 11.805 1.00 63.33 O ATOM 758 CB PRO A 47 -10.448 -1.317 10.780 1.00 10.11 C ATOM 759 CG PRO A 47 -10.940 -2.419 11.680 1.00 35.23 C ATOM 760 CD PRO A 47 -10.732 -3.710 10.905 1.00 11.21 C ATOM 0 HA PRO A 47 -9.103 -1.505 9.019 1.00 21.55 H new ATOM 0 HB2 PRO A 47 -10.128 -0.448 11.355 1.00 10.11 H new ATOM 0 HB3 PRO A 47 -11.232 -0.979 10.102 1.00 10.11 H new ATOM 0 HG2 PRO A 47 -10.387 -2.433 12.619 1.00 35.23 H new ATOM 0 HG3 PRO A 47 -11.991 -2.279 11.931 1.00 35.23 H new ATOM 0 HD2 PRO A 47 -10.447 -4.529 11.565 1.00 11.21 H new ATOM 0 HD3 PRO A 47 -11.643 -4.017 10.391 1.00 11.21 H new ATOM 768 N ALA A 48 -7.016 -0.895 10.168 1.00 32.42 N ATOM 769 CA ALA A 48 -5.709 -0.569 10.792 1.00 60.54 C ATOM 770 C ALA A 48 -5.850 0.546 11.860 1.00 52.34 C ATOM 771 O ALA A 48 -6.835 1.286 11.876 1.00 11.22 O ATOM 772 CB ALA A 48 -4.694 -0.161 9.710 1.00 21.51 C ATOM 0 H ALA A 48 -7.174 -0.431 9.273 1.00 32.42 H new ATOM 0 HA ALA A 48 -5.345 -1.462 11.300 1.00 60.54 H new ATOM 0 HB1 ALA A 48 -3.739 0.076 10.178 1.00 21.51 H new ATOM 0 HB2 ALA A 48 -4.560 -0.984 9.008 1.00 21.51 H new ATOM 0 HB3 ALA A 48 -5.064 0.714 9.176 1.00 21.51 H new ATOM 778 N THR A 49 -4.853 0.639 12.755 1.00 32.40 N ATOM 779 CA THR A 49 -4.746 1.726 13.762 1.00 33.45 C ATOM 780 C THR A 49 -3.264 2.096 13.956 1.00 30.21 C ATOM 781 O THR A 49 -2.493 1.288 14.478 1.00 73.53 O ATOM 782 CB THR A 49 -5.366 1.315 15.144 1.00 24.31 C ATOM 783 OG1 THR A 49 -6.766 1.030 14.989 1.00 23.33 O ATOM 784 CG2 THR A 49 -5.196 2.413 16.213 1.00 60.34 C ATOM 0 H THR A 49 -4.091 -0.037 12.807 1.00 32.40 H new ATOM 0 HA THR A 49 -5.309 2.582 13.389 1.00 33.45 H new ATOM 0 HB THR A 49 -4.830 0.428 15.481 1.00 24.31 H new ATOM 0 HG1 THR A 49 -7.145 0.773 15.855 1.00 23.33 H new ATOM 0 HG21 THR A 49 -5.641 2.080 17.151 1.00 60.34 H new ATOM 0 HG22 THR A 49 -4.135 2.611 16.366 1.00 60.34 H new ATOM 0 HG23 THR A 49 -5.691 3.325 15.880 1.00 60.34 H new ATOM 792 N PHE A 50 -2.882 3.316 13.537 1.00 31.42 N ATOM 793 CA PHE A 50 -1.480 3.787 13.568 1.00 31.23 C ATOM 794 C PHE A 50 -1.117 4.401 14.934 1.00 22.33 C ATOM 795 O PHE A 50 -1.624 5.463 15.310 1.00 2.51 O ATOM 796 CB PHE A 50 -1.213 4.788 12.401 1.00 53.51 C ATOM 797 CG PHE A 50 -1.042 4.088 11.053 1.00 14.32 C ATOM 798 CD1 PHE A 50 -2.134 3.503 10.407 1.00 3.03 C ATOM 799 CD2 PHE A 50 0.214 3.968 10.456 1.00 72.42 C ATOM 800 CE1 PHE A 50 -1.977 2.828 9.212 1.00 52.40 C ATOM 801 CE2 PHE A 50 0.368 3.301 9.257 1.00 64.44 C ATOM 802 CZ PHE A 50 -0.726 2.725 8.639 1.00 22.03 C ATOM 0 H PHE A 50 -3.535 4.006 13.166 1.00 31.42 H new ATOM 0 HA PHE A 50 -0.832 2.922 13.427 1.00 31.23 H new ATOM 0 HB2 PHE A 50 -2.041 5.494 12.337 1.00 53.51 H new ATOM 0 HB3 PHE A 50 -0.316 5.367 12.622 1.00 53.51 H new ATOM 0 HD1 PHE A 50 -3.116 3.580 10.849 1.00 3.03 H new ATOM 0 HD2 PHE A 50 1.077 4.403 10.938 1.00 72.42 H new ATOM 0 HE1 PHE A 50 -2.832 2.381 8.727 1.00 52.40 H new ATOM 0 HE2 PHE A 50 1.345 3.229 8.801 1.00 64.44 H new ATOM 0 HZ PHE A 50 -0.602 2.194 7.707 1.00 22.03 H new ATOM 812 N GLU A 51 -0.254 3.685 15.673 1.00 12.54 N ATOM 813 CA GLU A 51 0.375 4.164 16.920 1.00 62.35 C ATOM 814 C GLU A 51 1.327 5.347 16.641 1.00 62.22 C ATOM 815 O GLU A 51 1.395 6.303 17.422 1.00 33.42 O ATOM 816 CB GLU A 51 1.143 2.989 17.585 1.00 62.13 C ATOM 817 CG GLU A 51 0.268 1.761 17.920 1.00 54.23 C ATOM 818 CD GLU A 51 -0.866 2.083 18.908 1.00 12.31 C ATOM 819 OE1 GLU A 51 -0.593 2.188 20.123 1.00 32.24 O ATOM 820 OE2 GLU A 51 -2.030 2.249 18.481 1.00 53.42 O ATOM 0 H GLU A 51 0.033 2.740 15.418 1.00 12.54 H new ATOM 0 HA GLU A 51 -0.401 4.521 17.597 1.00 62.35 H new ATOM 0 HB2 GLU A 51 1.948 2.675 16.921 1.00 62.13 H new ATOM 0 HB3 GLU A 51 1.609 3.349 18.502 1.00 62.13 H new ATOM 0 HG2 GLU A 51 -0.161 1.365 16.999 1.00 54.23 H new ATOM 0 HG3 GLU A 51 0.898 0.977 18.341 1.00 54.23 H new ATOM 827 N THR A 52 2.048 5.268 15.508 1.00 54.42 N ATOM 828 CA THR A 52 2.920 6.359 15.016 1.00 14.43 C ATOM 829 C THR A 52 2.957 6.363 13.476 1.00 52.03 C ATOM 830 O THR A 52 2.650 5.348 12.837 1.00 53.20 O ATOM 831 CB THR A 52 4.383 6.268 15.571 1.00 73.30 C ATOM 832 OG1 THR A 52 5.146 7.418 15.152 1.00 40.11 O ATOM 833 CG2 THR A 52 5.113 4.992 15.123 1.00 13.20 C ATOM 0 H THR A 52 2.045 4.446 14.904 1.00 54.42 H new ATOM 0 HA THR A 52 2.487 7.289 15.384 1.00 14.43 H new ATOM 0 HB THR A 52 4.301 6.239 16.658 1.00 73.30 H new ATOM 0 HG1 THR A 52 6.058 7.352 15.505 1.00 40.11 H new ATOM 0 HG21 THR A 52 6.121 4.985 15.538 1.00 13.20 H new ATOM 0 HG22 THR A 52 4.568 4.117 15.478 1.00 13.20 H new ATOM 0 HG23 THR A 52 5.169 4.968 14.035 1.00 13.20 H new ATOM 841 N HIS A 53 3.321 7.520 12.903 1.00 40.23 N ATOM 842 CA HIS A 53 3.448 7.719 11.444 1.00 44.54 C ATOM 843 C HIS A 53 4.318 8.981 11.196 1.00 34.02 C ATOM 844 O HIS A 53 3.799 10.102 11.137 1.00 34.20 O ATOM 845 CB HIS A 53 2.023 7.840 10.819 1.00 44.51 C ATOM 846 CG HIS A 53 1.960 7.903 9.311 1.00 71.33 C ATOM 847 ND1 HIS A 53 2.201 9.074 8.641 1.00 22.42 N ATOM 848 CD2 HIS A 53 1.627 6.945 8.405 1.00 64.21 C ATOM 849 CE1 HIS A 53 2.000 8.816 7.370 1.00 30.22 C ATOM 850 NE2 HIS A 53 1.652 7.543 7.173 1.00 55.40 N ATOM 0 H HIS A 53 3.539 8.357 13.443 1.00 40.23 H new ATOM 0 HA HIS A 53 3.940 6.872 10.965 1.00 44.54 H new ATOM 0 HB2 HIS A 53 1.429 6.988 11.152 1.00 44.51 H new ATOM 0 HB3 HIS A 53 1.548 8.736 11.220 1.00 44.51 H new ATOM 0 HD1 HIS A 53 2.480 9.966 9.048 1.00 22.42 H new ATOM 0 HD2 HIS A 53 1.389 5.913 8.616 1.00 64.21 H new ATOM 0 HE1 HIS A 53 2.104 9.545 6.580 1.00 30.22 H new ATOM 858 N GLU A 54 5.656 8.796 11.130 1.00 51.23 N ATOM 859 CA GLU A 54 6.632 9.918 11.069 1.00 44.40 C ATOM 860 C GLU A 54 6.574 10.662 9.712 1.00 33.42 C ATOM 861 O GLU A 54 6.721 11.890 9.657 1.00 41.12 O ATOM 862 CB GLU A 54 8.065 9.379 11.329 1.00 43.00 C ATOM 863 CG GLU A 54 8.241 8.681 12.704 1.00 34.52 C ATOM 864 CD GLU A 54 9.653 8.109 12.972 1.00 64.14 C ATOM 865 OE1 GLU A 54 10.463 7.998 12.035 1.00 10.43 O ATOM 866 OE2 GLU A 54 9.940 7.740 14.129 1.00 22.43 O ATOM 0 H GLU A 54 6.091 7.874 11.117 1.00 51.23 H new ATOM 0 HA GLU A 54 6.366 10.637 11.843 1.00 44.40 H new ATOM 0 HB2 GLU A 54 8.325 8.673 10.540 1.00 43.00 H new ATOM 0 HB3 GLU A 54 8.771 10.207 11.261 1.00 43.00 H new ATOM 0 HG2 GLU A 54 8.000 9.396 13.491 1.00 34.52 H new ATOM 0 HG3 GLU A 54 7.517 7.870 12.778 1.00 34.52 H new ATOM 873 N PHE A 55 6.357 9.882 8.636 1.00 15.34 N ATOM 874 CA PHE A 55 6.260 10.365 7.239 1.00 3.32 C ATOM 875 C PHE A 55 7.516 11.181 6.816 1.00 2.03 C ATOM 876 O PHE A 55 7.426 12.313 6.331 1.00 64.13 O ATOM 877 CB PHE A 55 4.927 11.139 7.003 1.00 32.13 C ATOM 878 CG PHE A 55 4.492 11.189 5.532 1.00 21.40 C ATOM 879 CD1 PHE A 55 4.167 10.009 4.859 1.00 52.10 C ATOM 880 CD2 PHE A 55 4.411 12.385 4.822 1.00 54.44 C ATOM 881 CE1 PHE A 55 3.775 10.023 3.537 1.00 13.40 C ATOM 882 CE2 PHE A 55 4.019 12.396 3.498 1.00 44.15 C ATOM 883 CZ PHE A 55 3.700 11.213 2.860 1.00 64.13 C ATOM 0 H PHE A 55 6.241 8.872 8.713 1.00 15.34 H new ATOM 0 HA PHE A 55 6.238 9.493 6.586 1.00 3.32 H new ATOM 0 HB2 PHE A 55 4.137 10.671 7.590 1.00 32.13 H new ATOM 0 HB3 PHE A 55 5.039 12.158 7.374 1.00 32.13 H new ATOM 0 HD1 PHE A 55 4.224 9.067 5.384 1.00 52.10 H new ATOM 0 HD2 PHE A 55 4.658 13.315 5.313 1.00 54.44 H new ATOM 0 HE1 PHE A 55 3.528 9.099 3.036 1.00 13.40 H new ATOM 0 HE2 PHE A 55 3.962 13.331 2.960 1.00 44.15 H new ATOM 0 HZ PHE A 55 3.391 11.225 1.825 1.00 64.13 H new ATOM 893 N THR A 56 8.694 10.564 7.015 1.00 31.22 N ATOM 894 CA THR A 56 10.006 11.117 6.587 1.00 40.24 C ATOM 895 C THR A 56 10.867 10.016 5.927 1.00 63.51 C ATOM 896 O THR A 56 10.644 8.834 6.169 1.00 72.55 O ATOM 897 CB THR A 56 10.785 11.766 7.787 1.00 2.21 C ATOM 898 OG1 THR A 56 12.069 12.242 7.354 1.00 53.01 O ATOM 899 CG2 THR A 56 10.958 10.800 8.978 1.00 63.34 C ATOM 0 H THR A 56 8.771 9.660 7.481 1.00 31.22 H new ATOM 0 HA THR A 56 9.807 11.901 5.857 1.00 40.24 H new ATOM 0 HB THR A 56 10.181 12.604 8.135 1.00 2.21 H new ATOM 0 HG1 THR A 56 12.541 12.645 8.112 1.00 53.01 H new ATOM 0 HG21 THR A 56 11.503 11.302 9.777 1.00 63.34 H new ATOM 0 HG22 THR A 56 9.978 10.494 9.344 1.00 63.34 H new ATOM 0 HG23 THR A 56 11.516 9.921 8.655 1.00 63.34 H new ATOM 907 N VAL A 57 11.844 10.419 5.095 1.00 32.54 N ATOM 908 CA VAL A 57 12.749 9.477 4.382 1.00 11.11 C ATOM 909 C VAL A 57 13.709 8.772 5.382 1.00 21.30 C ATOM 910 O VAL A 57 14.513 9.423 6.056 1.00 61.23 O ATOM 911 CB VAL A 57 13.568 10.223 3.264 1.00 23.43 C ATOM 912 CG1 VAL A 57 14.576 9.281 2.554 1.00 5.21 C ATOM 913 CG2 VAL A 57 12.614 10.890 2.236 1.00 30.23 C ATOM 0 H VAL A 57 12.034 11.401 4.893 1.00 32.54 H new ATOM 0 HA VAL A 57 12.133 8.716 3.903 1.00 11.11 H new ATOM 0 HB VAL A 57 14.149 11.004 3.754 1.00 23.43 H new ATOM 0 HG11 VAL A 57 15.119 9.838 1.790 1.00 5.21 H new ATOM 0 HG12 VAL A 57 15.281 8.885 3.285 1.00 5.21 H new ATOM 0 HG13 VAL A 57 14.037 8.457 2.087 1.00 5.21 H new ATOM 0 HG21 VAL A 57 13.201 11.400 1.472 1.00 30.23 H new ATOM 0 HG22 VAL A 57 11.993 10.127 1.767 1.00 30.23 H new ATOM 0 HG23 VAL A 57 11.977 11.612 2.746 1.00 30.23 H new ATOM 923 N GLY A 58 13.593 7.433 5.466 1.00 62.35 N ATOM 924 CA GLY A 58 14.303 6.638 6.484 1.00 5.21 C ATOM 925 C GLY A 58 13.509 6.488 7.792 1.00 52.13 C ATOM 926 O GLY A 58 13.924 5.760 8.700 1.00 71.10 O ATOM 0 H GLY A 58 13.012 6.878 4.838 1.00 62.35 H new ATOM 0 HA2 GLY A 58 14.517 5.648 6.080 1.00 5.21 H new ATOM 0 HA3 GLY A 58 15.262 7.108 6.700 1.00 5.21 H new ATOM 930 N GLY A 59 12.354 7.182 7.868 1.00 71.12 N ATOM 931 CA GLY A 59 11.455 7.133 9.030 1.00 14.33 C ATOM 932 C GLY A 59 10.493 5.954 8.986 1.00 71.43 C ATOM 933 O GLY A 59 10.465 5.210 8.004 1.00 3.52 O ATOM 0 H GLY A 59 12.022 7.792 7.121 1.00 71.12 H new ATOM 0 HA2 GLY A 59 12.050 7.076 9.941 1.00 14.33 H new ATOM 0 HA3 GLY A 59 10.884 8.060 9.080 1.00 14.33 H new ATOM 937 N LYS A 60 9.700 5.765 10.060 1.00 55.02 N ATOM 938 CA LYS A 60 8.766 4.618 10.167 1.00 23.41 C ATOM 939 C LYS A 60 7.345 4.993 10.641 1.00 2.11 C ATOM 940 O LYS A 60 7.053 6.125 11.017 1.00 33.33 O ATOM 941 CB LYS A 60 9.359 3.509 11.087 1.00 63.43 C ATOM 942 CG LYS A 60 10.569 2.750 10.476 1.00 4.20 C ATOM 943 CD LYS A 60 10.605 1.262 10.881 1.00 41.25 C ATOM 944 CE LYS A 60 11.819 0.530 10.325 1.00 22.55 C ATOM 945 NZ LYS A 60 13.088 1.029 10.897 1.00 31.20 N ATOM 0 H LYS A 60 9.685 6.389 10.866 1.00 55.02 H new ATOM 0 HA LYS A 60 8.655 4.243 9.150 1.00 23.41 H new ATOM 0 HB2 LYS A 60 9.667 3.962 12.029 1.00 63.43 H new ATOM 0 HB3 LYS A 60 8.574 2.789 11.321 1.00 63.43 H new ATOM 0 HG2 LYS A 60 10.529 2.826 9.389 1.00 4.20 H new ATOM 0 HG3 LYS A 60 11.493 3.232 10.795 1.00 4.20 H new ATOM 0 HD2 LYS A 60 10.607 1.186 11.968 1.00 41.25 H new ATOM 0 HD3 LYS A 60 9.698 0.772 10.528 1.00 41.25 H new ATOM 0 HE2 LYS A 60 11.724 -0.536 10.533 1.00 22.55 H new ATOM 0 HE3 LYS A 60 11.843 0.643 9.241 1.00 22.55 H new ATOM 0 HZ1 LYS A 60 13.871 0.415 10.594 1.00 31.20 H new ATOM 0 HZ2 LYS A 60 13.261 1.999 10.565 1.00 31.20 H new ATOM 0 HZ3 LYS A 60 13.026 1.024 11.935 1.00 31.20 H new ATOM 959 N ALA A 61 6.476 3.973 10.576 1.00 74.34 N ATOM 960 CA ALA A 61 5.091 4.006 11.063 1.00 71.52 C ATOM 961 C ALA A 61 4.759 2.654 11.736 1.00 64.33 C ATOM 962 O ALA A 61 5.137 1.598 11.227 1.00 64.10 O ATOM 963 CB ALA A 61 4.115 4.303 9.907 1.00 14.44 C ATOM 0 H ALA A 61 6.728 3.072 10.169 1.00 74.34 H new ATOM 0 HA ALA A 61 4.983 4.805 11.796 1.00 71.52 H new ATOM 0 HB1 ALA A 61 3.094 4.323 10.289 1.00 14.44 H new ATOM 0 HB2 ALA A 61 4.357 5.270 9.466 1.00 14.44 H new ATOM 0 HB3 ALA A 61 4.203 3.526 9.148 1.00 14.44 H new ATOM 969 N ALA A 62 4.073 2.697 12.888 1.00 73.44 N ATOM 970 CA ALA A 62 3.650 1.484 13.626 1.00 72.45 C ATOM 971 C ALA A 62 2.126 1.411 13.644 1.00 3.05 C ATOM 972 O ALA A 62 1.462 2.421 13.885 1.00 73.01 O ATOM 973 CB ALA A 62 4.197 1.483 15.060 1.00 23.42 C ATOM 0 H ALA A 62 3.793 3.568 13.338 1.00 73.44 H new ATOM 0 HA ALA A 62 4.055 0.609 13.117 1.00 72.45 H new ATOM 0 HB1 ALA A 62 3.868 0.580 15.574 1.00 23.42 H new ATOM 0 HB2 ALA A 62 5.286 1.510 15.034 1.00 23.42 H new ATOM 0 HB3 ALA A 62 3.825 2.359 15.592 1.00 23.42 H new ATOM 979 N TYR A 63 1.589 0.217 13.388 1.00 32.20 N ATOM 980 CA TYR A 63 0.144 -0.014 13.291 1.00 62.43 C ATOM 981 C TYR A 63 -0.200 -1.486 13.542 1.00 53.40 C ATOM 982 O TYR A 63 0.676 -2.317 13.790 1.00 54.00 O ATOM 983 CB TYR A 63 -0.409 0.448 11.912 1.00 41.44 C ATOM 984 CG TYR A 63 0.179 -0.274 10.686 1.00 53.23 C ATOM 985 CD1 TYR A 63 1.407 0.114 10.144 1.00 24.22 C ATOM 986 CD2 TYR A 63 -0.504 -1.323 10.058 1.00 12.10 C ATOM 987 CE1 TYR A 63 1.928 -0.508 9.036 1.00 21.40 C ATOM 988 CE2 TYR A 63 0.023 -1.954 8.949 1.00 23.42 C ATOM 989 CZ TYR A 63 1.239 -1.540 8.440 1.00 21.43 C ATOM 990 OH TYR A 63 1.762 -2.157 7.325 1.00 35.22 O ATOM 0 H TYR A 63 2.147 -0.624 13.241 1.00 32.20 H new ATOM 0 HA TYR A 63 -0.335 0.584 14.066 1.00 62.43 H new ATOM 0 HB2 TYR A 63 -1.490 0.310 11.909 1.00 41.44 H new ATOM 0 HB3 TYR A 63 -0.224 1.517 11.806 1.00 41.44 H new ATOM 0 HD1 TYR A 63 1.958 0.920 10.606 1.00 24.22 H new ATOM 0 HD2 TYR A 63 -1.459 -1.644 10.448 1.00 12.10 H new ATOM 0 HE1 TYR A 63 2.877 -0.188 8.633 1.00 21.40 H new ATOM 0 HE2 TYR A 63 -0.512 -2.767 8.482 1.00 23.42 H new ATOM 0 HH TYR A 63 2.399 -1.555 6.886 1.00 35.22 H new ATOM 1000 N TYR A 64 -1.500 -1.773 13.537 1.00 23.32 N ATOM 1001 CA TYR A 64 -2.024 -3.142 13.613 1.00 33.50 C ATOM 1002 C TYR A 64 -3.463 -3.186 13.061 1.00 3.42 C ATOM 1003 O TYR A 64 -4.238 -2.243 13.271 1.00 11.31 O ATOM 1004 CB TYR A 64 -1.969 -3.658 15.078 1.00 53.22 C ATOM 1005 CG TYR A 64 -2.704 -2.770 16.101 1.00 44.11 C ATOM 1006 CD1 TYR A 64 -2.079 -1.665 16.691 1.00 13.45 C ATOM 1007 CD2 TYR A 64 -4.022 -3.036 16.468 1.00 61.53 C ATOM 1008 CE1 TYR A 64 -2.747 -0.876 17.604 1.00 44.31 C ATOM 1009 CE2 TYR A 64 -4.688 -2.251 17.379 1.00 31.24 C ATOM 1010 CZ TYR A 64 -4.053 -1.171 17.943 1.00 1.24 C ATOM 1011 OH TYR A 64 -4.722 -0.392 18.860 1.00 63.24 O ATOM 0 H TYR A 64 -2.227 -1.060 13.480 1.00 23.32 H new ATOM 0 HA TYR A 64 -1.404 -3.798 13.002 1.00 33.50 H new ATOM 0 HB2 TYR A 64 -2.398 -4.660 15.112 1.00 53.22 H new ATOM 0 HB3 TYR A 64 -0.925 -3.747 15.379 1.00 53.22 H new ATOM 0 HD1 TYR A 64 -1.059 -1.427 16.427 1.00 13.45 H new ATOM 0 HD2 TYR A 64 -4.532 -3.879 16.026 1.00 61.53 H new ATOM 0 HE1 TYR A 64 -2.250 -0.029 18.053 1.00 44.31 H new ATOM 0 HE2 TYR A 64 -5.707 -2.483 17.651 1.00 31.24 H new ATOM 0 HH TYR A 64 -5.631 -0.738 18.982 1.00 63.24 H new ATOM 1021 N MET A 65 -3.804 -4.265 12.342 1.00 31.11 N ATOM 1022 CA MET A 65 -5.178 -4.505 11.867 1.00 73.42 C ATOM 1023 C MET A 65 -5.897 -5.469 12.828 1.00 33.22 C ATOM 1024 O MET A 65 -5.521 -6.644 12.929 1.00 65.02 O ATOM 1025 CB MET A 65 -5.189 -5.086 10.424 1.00 2.51 C ATOM 1026 CG MET A 65 -4.555 -4.182 9.353 1.00 50.31 C ATOM 1027 SD MET A 65 -2.755 -4.054 9.500 1.00 30.01 S ATOM 1028 CE MET A 65 -2.242 -5.732 9.118 1.00 15.12 C ATOM 0 H MET A 65 -3.141 -4.993 12.074 1.00 31.11 H new ATOM 0 HA MET A 65 -5.702 -3.549 11.845 1.00 73.42 H new ATOM 0 HB2 MET A 65 -4.663 -6.041 10.429 1.00 2.51 H new ATOM 0 HB3 MET A 65 -6.221 -5.292 10.139 1.00 2.51 H new ATOM 0 HG2 MET A 65 -4.806 -4.569 8.365 1.00 50.31 H new ATOM 0 HG3 MET A 65 -4.990 -3.185 9.424 1.00 50.31 H new ATOM 0 HE1 MET A 65 -1.188 -5.736 8.839 1.00 15.12 H new ATOM 0 HE2 MET A 65 -2.388 -6.365 9.993 1.00 15.12 H new ATOM 0 HE3 MET A 65 -2.838 -6.115 8.289 1.00 15.12 H new ATOM 1038 N THR A 66 -6.904 -4.959 13.557 1.00 12.55 N ATOM 1039 CA THR A 66 -7.741 -5.796 14.438 1.00 41.42 C ATOM 1040 C THR A 66 -8.734 -6.610 13.583 1.00 50.31 C ATOM 1041 O THR A 66 -9.625 -6.036 12.954 1.00 23.34 O ATOM 1042 CB THR A 66 -8.511 -4.944 15.506 1.00 33.42 C ATOM 1043 OG1 THR A 66 -7.569 -4.162 16.264 1.00 42.33 O ATOM 1044 CG2 THR A 66 -9.325 -5.823 16.485 1.00 71.21 C ATOM 0 H THR A 66 -7.159 -3.971 13.555 1.00 12.55 H new ATOM 0 HA THR A 66 -7.083 -6.472 14.984 1.00 41.42 H new ATOM 0 HB THR A 66 -9.209 -4.303 14.967 1.00 33.42 H new ATOM 0 HG1 THR A 66 -8.049 -3.628 16.931 1.00 42.33 H new ATOM 0 HG21 THR A 66 -9.839 -5.186 17.204 1.00 71.21 H new ATOM 0 HG22 THR A 66 -10.058 -6.406 15.927 1.00 71.21 H new ATOM 0 HG23 THR A 66 -8.652 -6.497 17.014 1.00 71.21 H new ATOM 1052 N GLY A 67 -8.542 -7.944 13.546 1.00 41.03 N ATOM 1053 CA GLY A 67 -9.387 -8.843 12.750 1.00 51.41 C ATOM 1054 C GLY A 67 -10.851 -8.907 13.200 1.00 10.00 C ATOM 1055 O GLY A 67 -11.168 -8.483 14.320 1.00 21.04 O ATOM 0 H GLY A 67 -7.803 -8.420 14.063 1.00 41.03 H new ATOM 0 HA2 GLY A 67 -9.354 -8.524 11.708 1.00 51.41 H new ATOM 0 HA3 GLY A 67 -8.964 -9.847 12.789 1.00 51.41 H new ATOM 1059 N PRO A 68 -11.768 -9.460 12.339 1.00 50.02 N ATOM 1060 CA PRO A 68 -13.241 -9.478 12.598 1.00 73.42 C ATOM 1061 C PRO A 68 -13.628 -10.162 13.941 1.00 43.02 C ATOM 1062 O PRO A 68 -14.447 -9.639 14.708 1.00 12.20 O ATOM 1063 CB PRO A 68 -13.809 -10.256 11.365 1.00 32.24 C ATOM 1064 CG PRO A 68 -12.631 -10.994 10.790 1.00 51.13 C ATOM 1065 CD PRO A 68 -11.440 -10.107 11.040 1.00 45.32 C ATOM 0 HA PRO A 68 -13.647 -8.472 12.705 1.00 73.42 H new ATOM 0 HB2 PRO A 68 -14.599 -10.946 11.664 1.00 32.24 H new ATOM 0 HB3 PRO A 68 -14.242 -9.574 10.634 1.00 32.24 H new ATOM 0 HG2 PRO A 68 -12.505 -11.965 11.269 1.00 51.13 H new ATOM 0 HG3 PRO A 68 -12.766 -11.179 9.724 1.00 51.13 H new ATOM 0 HD2 PRO A 68 -10.515 -10.681 11.098 1.00 45.32 H new ATOM 0 HD3 PRO A 68 -11.310 -9.372 10.245 1.00 45.32 H new ATOM 1073 N ASP A 69 -12.994 -11.316 14.225 1.00 15.15 N ATOM 1074 CA ASP A 69 -13.248 -12.112 15.450 1.00 63.40 C ATOM 1075 C ASP A 69 -12.274 -11.758 16.598 1.00 61.44 C ATOM 1076 O ASP A 69 -12.237 -12.447 17.623 1.00 24.51 O ATOM 1077 CB ASP A 69 -13.155 -13.611 15.103 1.00 4.44 C ATOM 1078 CG ASP A 69 -14.152 -13.998 14.004 1.00 22.44 C ATOM 1079 OD1 ASP A 69 -15.328 -14.274 14.326 1.00 24.03 O ATOM 1080 OD2 ASP A 69 -13.770 -13.998 12.814 1.00 53.41 O ATOM 0 H ASP A 69 -12.289 -11.727 13.613 1.00 15.15 H new ATOM 0 HA ASP A 69 -14.249 -11.872 15.809 1.00 63.40 H new ATOM 0 HB2 ASP A 69 -12.142 -13.847 14.776 1.00 4.44 H new ATOM 0 HB3 ASP A 69 -13.349 -14.205 15.996 1.00 4.44 H new ATOM 1085 N GLY A 70 -11.510 -10.667 16.426 1.00 3.53 N ATOM 1086 CA GLY A 70 -10.537 -10.218 17.434 1.00 43.33 C ATOM 1087 C GLY A 70 -9.100 -10.669 17.145 1.00 45.30 C ATOM 1088 O GLY A 70 -8.171 -10.223 17.826 1.00 63.43 O ATOM 0 H GLY A 70 -11.548 -10.078 15.594 1.00 3.53 H new ATOM 0 HA2 GLY A 70 -10.563 -9.130 17.492 1.00 43.33 H new ATOM 0 HA3 GLY A 70 -10.838 -10.596 18.411 1.00 43.33 H new ATOM 1092 N THR A 71 -8.926 -11.568 16.146 1.00 0.04 N ATOM 1093 CA THR A 71 -7.592 -12.023 15.673 1.00 13.04 C ATOM 1094 C THR A 71 -6.789 -10.829 15.102 1.00 45.15 C ATOM 1095 O THR A 71 -6.941 -10.454 13.946 1.00 43.54 O ATOM 1096 CB THR A 71 -7.730 -13.153 14.589 1.00 55.24 C ATOM 1097 OG1 THR A 71 -8.539 -14.228 15.103 1.00 61.51 O ATOM 1098 CG2 THR A 71 -6.361 -13.716 14.144 1.00 72.51 C ATOM 0 H THR A 71 -9.703 -11.998 15.645 1.00 0.04 H new ATOM 0 HA THR A 71 -7.054 -12.436 16.526 1.00 13.04 H new ATOM 0 HB THR A 71 -8.204 -12.702 13.717 1.00 55.24 H new ATOM 0 HG1 THR A 71 -8.623 -14.928 14.423 1.00 61.51 H new ATOM 0 HG21 THR A 71 -6.513 -14.493 13.395 1.00 72.51 H new ATOM 0 HG22 THR A 71 -5.759 -12.914 13.717 1.00 72.51 H new ATOM 0 HG23 THR A 71 -5.844 -14.139 15.005 1.00 72.51 H new ATOM 1106 N LYS A 72 -5.978 -10.208 15.957 1.00 63.31 N ATOM 1107 CA LYS A 72 -5.319 -8.930 15.671 1.00 71.43 C ATOM 1108 C LYS A 72 -3.861 -9.141 15.192 1.00 51.32 C ATOM 1109 O LYS A 72 -3.040 -9.727 15.908 1.00 25.23 O ATOM 1110 CB LYS A 72 -5.398 -8.098 16.962 1.00 40.01 C ATOM 1111 CG LYS A 72 -4.937 -6.643 16.854 1.00 42.24 C ATOM 1112 CD LYS A 72 -5.264 -5.842 18.143 1.00 2.33 C ATOM 1113 CE LYS A 72 -4.338 -6.161 19.331 1.00 31.30 C ATOM 1114 NZ LYS A 72 -4.442 -7.556 19.845 1.00 44.32 N ATOM 0 H LYS A 72 -5.756 -10.581 16.880 1.00 63.31 H new ATOM 0 HA LYS A 72 -5.815 -8.404 14.855 1.00 71.43 H new ATOM 0 HB2 LYS A 72 -6.430 -8.106 17.313 1.00 40.01 H new ATOM 0 HB3 LYS A 72 -4.798 -8.592 17.726 1.00 40.01 H new ATOM 0 HG2 LYS A 72 -3.863 -6.614 16.670 1.00 42.24 H new ATOM 0 HG3 LYS A 72 -5.420 -6.170 15.999 1.00 42.24 H new ATOM 0 HD2 LYS A 72 -5.200 -4.777 17.922 1.00 2.33 H new ATOM 0 HD3 LYS A 72 -6.294 -6.046 18.434 1.00 2.33 H new ATOM 0 HE2 LYS A 72 -3.307 -5.975 19.030 1.00 31.30 H new ATOM 0 HE3 LYS A 72 -4.562 -5.471 20.144 1.00 31.30 H new ATOM 0 HZ1 LYS A 72 -4.278 -7.561 20.872 1.00 44.32 H new ATOM 0 HZ2 LYS A 72 -5.391 -7.930 19.644 1.00 44.32 H new ATOM 0 HZ3 LYS A 72 -3.729 -8.152 19.378 1.00 44.32 H new ATOM 1128 N ALA A 73 -3.559 -8.659 13.969 1.00 43.53 N ATOM 1129 CA ALA A 73 -2.230 -8.814 13.326 1.00 72.31 C ATOM 1130 C ALA A 73 -1.432 -7.502 13.427 1.00 45.22 C ATOM 1131 O ALA A 73 -1.977 -6.423 13.179 1.00 55.54 O ATOM 1132 CB ALA A 73 -2.386 -9.222 11.848 1.00 50.00 C ATOM 0 H ALA A 73 -4.230 -8.149 13.394 1.00 43.53 H new ATOM 0 HA ALA A 73 -1.687 -9.601 13.849 1.00 72.31 H new ATOM 0 HB1 ALA A 73 -1.401 -9.331 11.395 1.00 50.00 H new ATOM 0 HB2 ALA A 73 -2.920 -10.170 11.787 1.00 50.00 H new ATOM 0 HB3 ALA A 73 -2.948 -8.454 11.316 1.00 50.00 H new ATOM 1138 N ARG A 74 -0.145 -7.605 13.783 1.00 62.12 N ATOM 1139 CA ARG A 74 0.749 -6.433 13.878 1.00 42.01 C ATOM 1140 C ARG A 74 1.238 -6.002 12.471 1.00 13.00 C ATOM 1141 O ARG A 74 1.425 -6.840 11.582 1.00 64.42 O ATOM 1142 CB ARG A 74 1.971 -6.757 14.783 1.00 25.41 C ATOM 1143 CG ARG A 74 2.872 -5.535 15.138 1.00 65.34 C ATOM 1144 CD ARG A 74 2.631 -4.997 16.561 1.00 30.51 C ATOM 1145 NE ARG A 74 1.205 -4.744 16.842 1.00 70.23 N ATOM 1146 CZ ARG A 74 0.593 -5.028 17.973 1.00 71.33 C ATOM 1147 NH1 ARG A 74 1.237 -5.521 18.989 1.00 20.12 N ATOM 1148 NH2 ARG A 74 -0.670 -4.808 18.084 1.00 41.04 N ATOM 0 H ARG A 74 0.306 -8.491 14.012 1.00 62.12 H new ATOM 0 HA ARG A 74 0.186 -5.611 14.320 1.00 42.01 H new ATOM 0 HB2 ARG A 74 1.610 -7.204 15.709 1.00 25.41 H new ATOM 0 HB3 ARG A 74 2.584 -7.508 14.285 1.00 25.41 H new ATOM 0 HG2 ARG A 74 3.919 -5.822 15.037 1.00 65.34 H new ATOM 0 HG3 ARG A 74 2.690 -4.736 14.419 1.00 65.34 H new ATOM 0 HD2 ARG A 74 3.018 -5.713 17.286 1.00 30.51 H new ATOM 0 HD3 ARG A 74 3.193 -4.073 16.695 1.00 30.51 H new ATOM 0 HE ARG A 74 0.649 -4.315 16.102 1.00 70.23 H new ATOM 0 HH11 ARG A 74 2.240 -5.696 18.921 1.00 20.12 H new ATOM 0 HH12 ARG A 74 0.740 -5.732 19.854 1.00 20.12 H new ATOM 0 HH21 ARG A 74 -1.190 -4.416 17.299 1.00 41.04 H new ATOM 0 HH22 ARG A 74 -1.151 -5.025 18.957 1.00 41.04 H new ATOM 1162 N GLY A 75 1.420 -4.693 12.272 1.00 34.41 N ATOM 1163 CA GLY A 75 2.064 -4.165 11.062 1.00 64.32 C ATOM 1164 C GLY A 75 3.144 -3.120 11.360 1.00 1.31 C ATOM 1165 O GLY A 75 2.953 -2.230 12.192 1.00 74.31 O ATOM 0 H GLY A 75 1.129 -3.975 12.936 1.00 34.41 H new ATOM 0 HA2 GLY A 75 2.509 -4.990 10.506 1.00 64.32 H new ATOM 0 HA3 GLY A 75 1.305 -3.720 10.419 1.00 64.32 H new ATOM 1169 N TRP A 76 4.285 -3.233 10.671 1.00 23.31 N ATOM 1170 CA TRP A 76 5.367 -2.218 10.690 1.00 45.23 C ATOM 1171 C TRP A 76 5.390 -1.482 9.329 1.00 53.10 C ATOM 1172 O TRP A 76 4.811 -1.962 8.362 1.00 14.25 O ATOM 1173 CB TRP A 76 6.738 -2.896 10.980 1.00 11.33 C ATOM 1174 CG TRP A 76 7.166 -3.908 9.928 1.00 31.50 C ATOM 1175 CD1 TRP A 76 6.784 -5.219 9.837 1.00 4.30 C ATOM 1176 CD2 TRP A 76 8.051 -3.677 8.821 1.00 33.35 C ATOM 1177 NE1 TRP A 76 7.347 -5.796 8.732 1.00 24.14 N ATOM 1178 CE2 TRP A 76 8.136 -4.877 8.101 1.00 71.00 C ATOM 1179 CE3 TRP A 76 8.776 -2.566 8.370 1.00 33.11 C ATOM 1180 CZ2 TRP A 76 8.907 -5.003 6.956 1.00 41.20 C ATOM 1181 CZ3 TRP A 76 9.550 -2.695 7.234 1.00 32.25 C ATOM 1182 CH2 TRP A 76 9.605 -3.906 6.532 1.00 25.44 C ATOM 0 H TRP A 76 4.494 -4.035 10.077 1.00 23.31 H new ATOM 0 HA TRP A 76 5.180 -1.494 11.483 1.00 45.23 H new ATOM 0 HB2 TRP A 76 7.503 -2.124 11.058 1.00 11.33 H new ATOM 0 HB3 TRP A 76 6.687 -3.394 11.948 1.00 11.33 H new ATOM 0 HD1 TRP A 76 6.133 -5.724 10.535 1.00 4.30 H new ATOM 0 HE1 TRP A 76 7.201 -6.759 8.428 1.00 24.14 H new ATOM 0 HE3 TRP A 76 8.730 -1.627 8.901 1.00 33.11 H new ATOM 0 HZ2 TRP A 76 8.955 -5.937 6.416 1.00 41.20 H new ATOM 0 HZ3 TRP A 76 10.122 -1.849 6.881 1.00 32.25 H new ATOM 0 HH2 TRP A 76 10.210 -3.975 5.640 1.00 25.44 H new ATOM 1193 N TRP A 77 6.013 -0.304 9.260 1.00 71.24 N ATOM 1194 CA TRP A 77 6.184 0.422 7.969 1.00 30.33 C ATOM 1195 C TRP A 77 7.524 1.179 7.937 1.00 31.33 C ATOM 1196 O TRP A 77 7.799 1.951 8.836 1.00 41.35 O ATOM 1197 CB TRP A 77 4.976 1.411 7.762 1.00 43.24 C ATOM 1198 CG TRP A 77 4.179 1.215 6.493 1.00 51.40 C ATOM 1199 CD1 TRP A 77 3.934 0.043 5.831 1.00 51.15 C ATOM 1200 CD2 TRP A 77 3.494 2.234 5.764 1.00 32.03 C ATOM 1201 NE1 TRP A 77 3.164 0.283 4.729 1.00 14.40 N ATOM 1202 CE2 TRP A 77 2.883 1.626 4.666 1.00 1.00 C ATOM 1203 CE3 TRP A 77 3.353 3.607 5.936 1.00 63.12 C ATOM 1204 CZ2 TRP A 77 2.137 2.350 3.739 1.00 44.34 C ATOM 1205 CZ3 TRP A 77 2.618 4.322 5.015 1.00 64.41 C ATOM 1206 CH2 TRP A 77 2.018 3.692 3.930 1.00 71.11 C ATOM 0 H TRP A 77 6.410 0.177 10.067 1.00 71.24 H new ATOM 0 HA TRP A 77 6.197 -0.301 7.154 1.00 30.33 H new ATOM 0 HB2 TRP A 77 4.301 1.314 8.612 1.00 43.24 H new ATOM 0 HB3 TRP A 77 5.359 2.431 7.775 1.00 43.24 H new ATOM 0 HD1 TRP A 77 4.296 -0.928 6.135 1.00 51.15 H new ATOM 0 HE1 TRP A 77 2.849 -0.421 4.061 1.00 14.40 H new ATOM 0 HE3 TRP A 77 3.812 4.105 6.777 1.00 63.12 H new ATOM 0 HZ2 TRP A 77 1.669 1.863 2.897 1.00 44.34 H new ATOM 0 HZ3 TRP A 77 2.506 5.389 5.138 1.00 64.41 H new ATOM 0 HH2 TRP A 77 1.447 4.279 3.226 1.00 71.11 H new ATOM 1217 N GLN A 78 8.343 0.955 6.902 1.00 23.34 N ATOM 1218 CA GLN A 78 9.564 1.759 6.648 1.00 44.33 C ATOM 1219 C GLN A 78 9.338 2.700 5.444 1.00 3.02 C ATOM 1220 O GLN A 78 9.208 2.233 4.316 1.00 53.35 O ATOM 1221 CB GLN A 78 10.794 0.834 6.380 1.00 50.30 C ATOM 1222 CG GLN A 78 12.084 1.581 5.901 1.00 64.12 C ATOM 1223 CD GLN A 78 13.174 1.781 6.961 1.00 42.30 C ATOM 1224 OE1 GLN A 78 13.438 0.917 7.778 1.00 74.41 O ATOM 1225 NE2 GLN A 78 13.789 2.939 6.972 1.00 20.02 N ATOM 0 H GLN A 78 8.187 0.217 6.215 1.00 23.34 H new ATOM 0 HA GLN A 78 9.771 2.356 7.536 1.00 44.33 H new ATOM 0 HB2 GLN A 78 11.026 0.287 7.294 1.00 50.30 H new ATOM 0 HB3 GLN A 78 10.518 0.095 5.628 1.00 50.30 H new ATOM 0 HG2 GLN A 78 12.513 1.026 5.067 1.00 64.12 H new ATOM 0 HG3 GLN A 78 11.793 2.559 5.518 1.00 64.12 H new ATOM 0 HE21 GLN A 78 13.553 3.649 6.279 1.00 20.02 H new ATOM 0 HE22 GLN A 78 14.504 3.130 7.674 1.00 20.02 H new ATOM 1234 N PHE A 79 9.292 4.019 5.699 1.00 42.32 N ATOM 1235 CA PHE A 79 9.270 5.050 4.633 1.00 2.12 C ATOM 1236 C PHE A 79 10.644 5.136 3.933 1.00 22.00 C ATOM 1237 O PHE A 79 11.657 5.456 4.566 1.00 14.34 O ATOM 1238 CB PHE A 79 8.899 6.433 5.209 1.00 62.34 C ATOM 1239 CG PHE A 79 7.487 6.515 5.762 1.00 20.41 C ATOM 1240 CD1 PHE A 79 6.396 6.518 4.899 1.00 60.12 C ATOM 1241 CD2 PHE A 79 7.250 6.597 7.133 1.00 1.13 C ATOM 1242 CE1 PHE A 79 5.112 6.605 5.390 1.00 1.45 C ATOM 1243 CE2 PHE A 79 5.965 6.686 7.622 1.00 23.32 C ATOM 1244 CZ PHE A 79 4.898 6.693 6.750 1.00 14.03 C ATOM 0 H PHE A 79 9.269 4.405 6.643 1.00 42.32 H new ATOM 0 HA PHE A 79 8.513 4.758 3.905 1.00 2.12 H new ATOM 0 HB2 PHE A 79 9.603 6.686 6.001 1.00 62.34 H new ATOM 0 HB3 PHE A 79 9.016 7.184 4.427 1.00 62.34 H new ATOM 0 HD1 PHE A 79 6.557 6.451 3.833 1.00 60.12 H new ATOM 0 HD2 PHE A 79 8.083 6.591 7.820 1.00 1.13 H new ATOM 0 HE1 PHE A 79 4.273 6.604 4.710 1.00 1.45 H new ATOM 0 HE2 PHE A 79 5.794 6.750 8.686 1.00 23.32 H new ATOM 0 HZ PHE A 79 3.891 6.768 7.133 1.00 14.03 H new ATOM 1254 N THR A 80 10.663 4.836 2.632 1.00 34.44 N ATOM 1255 CA THR A 80 11.903 4.752 1.834 1.00 32.51 C ATOM 1256 C THR A 80 12.169 6.042 1.011 1.00 14.23 C ATOM 1257 O THR A 80 13.285 6.572 1.024 1.00 60.14 O ATOM 1258 CB THR A 80 11.830 3.513 0.885 1.00 22.45 C ATOM 1259 OG1 THR A 80 11.326 2.384 1.621 1.00 71.43 O ATOM 1260 CG2 THR A 80 13.199 3.154 0.298 1.00 74.10 C ATOM 0 H THR A 80 9.818 4.643 2.094 1.00 34.44 H new ATOM 0 HA THR A 80 12.735 4.642 2.529 1.00 32.51 H new ATOM 0 HB THR A 80 11.167 3.767 0.058 1.00 22.45 H new ATOM 0 HG1 THR A 80 11.776 1.568 1.317 1.00 71.43 H new ATOM 0 HG21 THR A 80 13.099 2.287 -0.355 1.00 74.10 H new ATOM 0 HG22 THR A 80 13.582 3.998 -0.276 1.00 74.10 H new ATOM 0 HG23 THR A 80 13.892 2.921 1.107 1.00 74.10 H new ATOM 1268 N THR A 81 11.138 6.554 0.310 1.00 64.32 N ATOM 1269 CA THR A 81 11.261 7.743 -0.587 1.00 31.03 C ATOM 1270 C THR A 81 9.998 8.614 -0.489 1.00 70.01 C ATOM 1271 O THR A 81 8.901 8.139 -0.757 1.00 64.32 O ATOM 1272 CB THR A 81 11.469 7.324 -2.088 1.00 32.04 C ATOM 1273 OG1 THR A 81 12.664 6.540 -2.227 1.00 71.44 O ATOM 1274 CG2 THR A 81 11.542 8.529 -3.052 1.00 34.20 C ATOM 0 H THR A 81 10.196 6.164 0.342 1.00 64.32 H new ATOM 0 HA THR A 81 12.135 8.304 -0.258 1.00 31.03 H new ATOM 0 HB THR A 81 10.593 6.737 -2.362 1.00 32.04 H new ATOM 0 HG1 THR A 81 12.590 5.968 -3.019 1.00 71.44 H new ATOM 0 HG21 THR A 81 11.686 8.171 -4.071 1.00 34.20 H new ATOM 0 HG22 THR A 81 10.614 9.097 -2.995 1.00 34.20 H new ATOM 0 HG23 THR A 81 12.378 9.170 -2.771 1.00 34.20 H new ATOM 1282 N ILE A 82 10.157 9.890 -0.096 1.00 61.34 N ATOM 1283 CA ILE A 82 9.037 10.857 0.012 1.00 32.50 C ATOM 1284 C ILE A 82 9.429 12.183 -0.685 1.00 2.44 C ATOM 1285 O ILE A 82 10.155 13.006 -0.118 1.00 31.55 O ATOM 1286 CB ILE A 82 8.634 11.123 1.519 1.00 45.15 C ATOM 1287 CG1 ILE A 82 8.315 9.770 2.242 1.00 65.40 C ATOM 1288 CG2 ILE A 82 7.438 12.112 1.621 1.00 3.11 C ATOM 1289 CD1 ILE A 82 7.801 9.883 3.653 1.00 52.42 C ATOM 0 H ILE A 82 11.063 10.285 0.157 1.00 61.34 H new ATOM 0 HA ILE A 82 8.167 10.427 -0.484 1.00 32.50 H new ATOM 0 HB ILE A 82 9.481 11.590 2.021 1.00 45.15 H new ATOM 0 HG12 ILE A 82 7.577 9.229 1.649 1.00 65.40 H new ATOM 0 HG13 ILE A 82 9.221 9.164 2.253 1.00 65.40 H new ATOM 0 HG21 ILE A 82 7.187 12.273 2.669 1.00 3.11 H new ATOM 0 HG22 ILE A 82 7.712 13.063 1.164 1.00 3.11 H new ATOM 0 HG23 ILE A 82 6.575 11.695 1.101 1.00 3.11 H new ATOM 0 HD11 ILE A 82 7.615 8.886 4.053 1.00 52.42 H new ATOM 0 HD12 ILE A 82 8.543 10.389 4.271 1.00 52.42 H new ATOM 0 HD13 ILE A 82 6.873 10.455 3.658 1.00 52.42 H new ATOM 1301 N GLU A 83 8.986 12.346 -1.945 1.00 52.44 N ATOM 1302 CA GLU A 83 9.231 13.576 -2.738 1.00 34.12 C ATOM 1303 C GLU A 83 8.065 14.576 -2.607 1.00 41.11 C ATOM 1304 O GLU A 83 8.291 15.781 -2.436 1.00 63.21 O ATOM 1305 CB GLU A 83 9.473 13.220 -4.225 1.00 43.24 C ATOM 1306 CG GLU A 83 10.742 12.370 -4.478 1.00 41.51 C ATOM 1307 CD GLU A 83 11.098 12.219 -5.966 1.00 13.32 C ATOM 1308 OE1 GLU A 83 10.936 13.195 -6.727 1.00 72.52 O ATOM 1309 OE2 GLU A 83 11.551 11.142 -6.376 1.00 1.23 O ATOM 0 H GLU A 83 8.450 11.636 -2.445 1.00 52.44 H new ATOM 0 HA GLU A 83 10.125 14.055 -2.339 1.00 34.12 H new ATOM 0 HB2 GLU A 83 8.606 12.678 -4.603 1.00 43.24 H new ATOM 0 HB3 GLU A 83 9.547 14.143 -4.800 1.00 43.24 H new ATOM 0 HG2 GLU A 83 11.584 12.826 -3.957 1.00 41.51 H new ATOM 0 HG3 GLU A 83 10.598 11.380 -4.046 1.00 41.51 H new ATOM 1316 N ALA A 84 6.823 14.046 -2.712 1.00 15.02 N ATOM 1317 CA ALA A 84 5.553 14.816 -2.581 1.00 1.13 C ATOM 1318 C ALA A 84 5.297 15.821 -3.752 1.00 64.55 C ATOM 1319 O ALA A 84 6.209 16.527 -4.181 1.00 3.52 O ATOM 1320 CB ALA A 84 5.467 15.529 -1.215 1.00 3.25 C ATOM 0 H ALA A 84 6.668 13.054 -2.893 1.00 15.02 H new ATOM 0 HA ALA A 84 4.756 14.075 -2.642 1.00 1.13 H new ATOM 0 HB1 ALA A 84 4.529 16.081 -1.151 1.00 3.25 H new ATOM 0 HB2 ALA A 84 5.507 14.789 -0.415 1.00 3.25 H new ATOM 0 HB3 ALA A 84 6.303 16.221 -1.112 1.00 3.25 H new ATOM 1326 N PRO A 85 4.027 15.935 -4.270 1.00 14.24 N ATOM 1327 CA PRO A 85 2.836 15.172 -3.804 1.00 25.41 C ATOM 1328 C PRO A 85 2.542 13.898 -4.641 1.00 50.45 C ATOM 1329 O PRO A 85 1.434 13.378 -4.593 1.00 15.31 O ATOM 1330 CB PRO A 85 1.732 16.228 -3.995 1.00 64.40 C ATOM 1331 CG PRO A 85 2.110 16.897 -5.292 1.00 4.12 C ATOM 1332 CD PRO A 85 3.639 16.882 -5.356 1.00 61.53 C ATOM 0 HA PRO A 85 2.947 14.781 -2.793 1.00 25.41 H new ATOM 0 HB2 PRO A 85 0.744 15.771 -4.052 1.00 64.40 H new ATOM 0 HB3 PRO A 85 1.708 16.938 -3.169 1.00 64.40 H new ATOM 0 HG2 PRO A 85 1.680 16.367 -6.142 1.00 4.12 H new ATOM 0 HG3 PRO A 85 1.730 17.918 -5.328 1.00 4.12 H new ATOM 0 HD2 PRO A 85 3.996 16.544 -6.329 1.00 61.53 H new ATOM 0 HD3 PRO A 85 4.057 17.875 -5.190 1.00 61.53 H new ATOM 1340 N ASP A 86 3.542 13.398 -5.385 1.00 70.44 N ATOM 1341 CA ASP A 86 3.359 12.302 -6.368 1.00 40.43 C ATOM 1342 C ASP A 86 4.064 10.986 -5.942 1.00 44.21 C ATOM 1343 O ASP A 86 3.458 9.911 -5.959 1.00 22.23 O ATOM 1344 CB ASP A 86 3.866 12.777 -7.762 1.00 31.32 C ATOM 1345 CG ASP A 86 5.387 13.048 -7.813 1.00 72.25 C ATOM 1346 OD1 ASP A 86 5.891 13.841 -6.984 1.00 73.02 O ATOM 1347 OD2 ASP A 86 6.093 12.450 -8.654 1.00 11.13 O ATOM 0 H ASP A 86 4.502 13.738 -5.327 1.00 70.44 H new ATOM 0 HA ASP A 86 2.295 12.071 -6.417 1.00 40.43 H new ATOM 0 HB2 ASP A 86 3.616 12.021 -8.506 1.00 31.32 H new ATOM 0 HB3 ASP A 86 3.335 13.687 -8.041 1.00 31.32 H new ATOM 1352 N HIS A 87 5.347 11.078 -5.551 1.00 50.51 N ATOM 1353 CA HIS A 87 6.220 9.895 -5.386 1.00 70.34 C ATOM 1354 C HIS A 87 6.412 9.506 -3.900 1.00 62.55 C ATOM 1355 O HIS A 87 7.105 10.197 -3.144 1.00 32.15 O ATOM 1356 CB HIS A 87 7.585 10.166 -6.078 1.00 63.54 C ATOM 1357 CG HIS A 87 8.502 8.968 -6.219 1.00 15.01 C ATOM 1358 ND1 HIS A 87 9.725 9.050 -6.836 1.00 44.52 N ATOM 1359 CD2 HIS A 87 8.386 7.673 -5.821 1.00 2.11 C ATOM 1360 CE1 HIS A 87 10.327 7.886 -6.806 1.00 52.32 C ATOM 1361 NE2 HIS A 87 9.540 7.031 -6.201 1.00 74.42 N ATOM 0 H HIS A 87 5.808 11.964 -5.341 1.00 50.51 H new ATOM 0 HA HIS A 87 5.734 9.043 -5.861 1.00 70.34 H new ATOM 0 HB2 HIS A 87 7.393 10.572 -7.071 1.00 63.54 H new ATOM 0 HB3 HIS A 87 8.110 10.937 -5.514 1.00 63.54 H new ATOM 0 HD1 HIS A 87 10.110 9.895 -7.257 1.00 44.52 H new ATOM 0 HD2 HIS A 87 7.546 7.233 -5.304 1.00 2.11 H new ATOM 0 HE1 HIS A 87 11.304 7.669 -7.211 1.00 52.32 H new ATOM 1370 N LEU A 88 5.773 8.395 -3.507 1.00 11.13 N ATOM 1371 CA LEU A 88 6.047 7.686 -2.241 1.00 44.15 C ATOM 1372 C LEU A 88 6.649 6.294 -2.542 1.00 42.30 C ATOM 1373 O LEU A 88 6.346 5.692 -3.566 1.00 30.34 O ATOM 1374 CB LEU A 88 4.745 7.524 -1.413 1.00 50.34 C ATOM 1375 CG LEU A 88 4.880 6.762 -0.051 1.00 12.55 C ATOM 1376 CD1 LEU A 88 5.786 7.522 0.941 1.00 41.43 C ATOM 1377 CD2 LEU A 88 3.507 6.465 0.575 1.00 61.11 C ATOM 0 H LEU A 88 5.041 7.955 -4.064 1.00 11.13 H new ATOM 0 HA LEU A 88 6.759 8.273 -1.661 1.00 44.15 H new ATOM 0 HB2 LEU A 88 4.342 8.516 -1.211 1.00 50.34 H new ATOM 0 HB3 LEU A 88 4.012 7.001 -2.027 1.00 50.34 H new ATOM 0 HG LEU A 88 5.357 5.807 -0.270 1.00 12.55 H new ATOM 0 HD11 LEU A 88 5.855 6.962 1.874 1.00 41.43 H new ATOM 0 HD12 LEU A 88 6.781 7.635 0.511 1.00 41.43 H new ATOM 0 HD13 LEU A 88 5.363 8.507 1.140 1.00 41.43 H new ATOM 0 HD21 LEU A 88 3.644 5.936 1.518 1.00 61.11 H new ATOM 0 HD22 LEU A 88 2.980 7.402 0.758 1.00 61.11 H new ATOM 0 HD23 LEU A 88 2.922 5.847 -0.106 1.00 61.11 H new ATOM 1389 N GLU A 89 7.539 5.823 -1.664 1.00 3.33 N ATOM 1390 CA GLU A 89 8.013 4.425 -1.637 1.00 62.15 C ATOM 1391 C GLU A 89 8.129 3.967 -0.182 1.00 30.23 C ATOM 1392 O GLU A 89 8.432 4.773 0.709 1.00 45.43 O ATOM 1393 CB GLU A 89 9.389 4.237 -2.342 1.00 44.14 C ATOM 1394 CG GLU A 89 9.361 4.480 -3.854 1.00 23.33 C ATOM 1395 CD GLU A 89 10.705 4.232 -4.550 1.00 13.02 C ATOM 1396 OE1 GLU A 89 10.982 3.074 -4.918 1.00 4.53 O ATOM 1397 OE2 GLU A 89 11.480 5.191 -4.744 1.00 64.04 O ATOM 0 H GLU A 89 7.960 6.405 -0.940 1.00 3.33 H new ATOM 0 HA GLU A 89 7.286 3.825 -2.184 1.00 62.15 H new ATOM 0 HB2 GLU A 89 10.111 4.917 -1.890 1.00 44.14 H new ATOM 0 HB3 GLU A 89 9.744 3.224 -2.155 1.00 44.14 H new ATOM 0 HG2 GLU A 89 8.607 3.833 -4.302 1.00 23.33 H new ATOM 0 HG3 GLU A 89 9.051 5.508 -4.041 1.00 23.33 H new ATOM 1404 N PHE A 90 7.888 2.678 0.038 1.00 25.12 N ATOM 1405 CA PHE A 90 8.079 2.025 1.340 1.00 15.32 C ATOM 1406 C PHE A 90 8.424 0.536 1.144 1.00 72.20 C ATOM 1407 O PHE A 90 8.334 0.005 0.030 1.00 43.14 O ATOM 1408 CB PHE A 90 6.825 2.205 2.248 1.00 53.13 C ATOM 1409 CG PHE A 90 5.533 1.573 1.715 1.00 71.25 C ATOM 1410 CD1 PHE A 90 4.657 2.297 0.901 1.00 71.31 C ATOM 1411 CD2 PHE A 90 5.189 0.255 2.041 1.00 54.43 C ATOM 1412 CE1 PHE A 90 3.490 1.726 0.425 1.00 61.10 C ATOM 1413 CE2 PHE A 90 4.022 -0.314 1.566 1.00 54.21 C ATOM 1414 CZ PHE A 90 3.170 0.423 0.762 1.00 22.45 C ATOM 0 H PHE A 90 7.551 2.046 -0.688 1.00 25.12 H new ATOM 0 HA PHE A 90 8.916 2.504 1.848 1.00 15.32 H new ATOM 0 HB2 PHE A 90 7.042 1.778 3.227 1.00 53.13 H new ATOM 0 HB3 PHE A 90 6.654 3.271 2.396 1.00 53.13 H new ATOM 0 HD1 PHE A 90 4.895 3.318 0.640 1.00 71.31 H new ATOM 0 HD2 PHE A 90 5.845 -0.325 2.673 1.00 54.43 H new ATOM 0 HE1 PHE A 90 2.829 2.298 -0.210 1.00 61.10 H new ATOM 0 HE2 PHE A 90 3.775 -1.334 1.822 1.00 54.21 H new ATOM 0 HZ PHE A 90 2.255 -0.019 0.397 1.00 22.45 H new ATOM 1424 N ASP A 91 8.817 -0.132 2.233 1.00 34.52 N ATOM 1425 CA ASP A 91 9.106 -1.579 2.232 1.00 51.41 C ATOM 1426 C ASP A 91 8.118 -2.365 3.125 1.00 0.44 C ATOM 1427 O ASP A 91 8.083 -2.147 4.340 1.00 64.13 O ATOM 1428 CB ASP A 91 10.568 -1.824 2.688 1.00 43.33 C ATOM 1429 CG ASP A 91 11.579 -1.571 1.554 1.00 74.41 C ATOM 1430 OD1 ASP A 91 11.857 -2.508 0.778 1.00 53.42 O ATOM 1431 OD2 ASP A 91 12.074 -0.438 1.404 1.00 1.23 O ATOM 0 H ASP A 91 8.945 0.311 3.143 1.00 34.52 H new ATOM 0 HA ASP A 91 8.980 -1.946 1.213 1.00 51.41 H new ATOM 0 HB2 ASP A 91 10.798 -1.172 3.531 1.00 43.33 H new ATOM 0 HB3 ASP A 91 10.670 -2.850 3.042 1.00 43.33 H new ATOM 1436 N ASP A 92 7.297 -3.236 2.474 1.00 4.11 N ATOM 1437 CA ASP A 92 6.513 -4.320 3.133 1.00 43.21 C ATOM 1438 C ASP A 92 5.587 -3.781 4.266 1.00 14.42 C ATOM 1439 O ASP A 92 5.201 -2.605 4.250 1.00 35.44 O ATOM 1440 CB ASP A 92 7.535 -5.399 3.624 1.00 50.33 C ATOM 1441 CG ASP A 92 6.941 -6.800 3.871 1.00 34.54 C ATOM 1442 OD1 ASP A 92 6.673 -7.507 2.878 1.00 20.14 O ATOM 1443 OD2 ASP A 92 6.728 -7.183 5.048 1.00 74.01 O ATOM 0 H ASP A 92 7.159 -3.204 1.464 1.00 4.11 H new ATOM 0 HA ASP A 92 5.820 -4.774 2.424 1.00 43.21 H new ATOM 0 HB2 ASP A 92 8.332 -5.485 2.885 1.00 50.33 H new ATOM 0 HB3 ASP A 92 7.994 -5.048 4.548 1.00 50.33 H new ATOM 1448 N GLY A 93 5.163 -4.652 5.188 1.00 23.11 N ATOM 1449 CA GLY A 93 4.556 -4.206 6.434 1.00 71.11 C ATOM 1450 C GLY A 93 3.941 -5.322 7.263 1.00 21.54 C ATOM 1451 O GLY A 93 3.037 -5.074 8.071 1.00 40.04 O ATOM 0 H GLY A 93 5.231 -5.665 5.090 1.00 23.11 H new ATOM 0 HA2 GLY A 93 5.313 -3.699 7.033 1.00 71.11 H new ATOM 0 HA3 GLY A 93 3.784 -3.471 6.206 1.00 71.11 H new ATOM 1455 N PHE A 94 4.453 -6.550 7.098 1.00 0.50 N ATOM 1456 CA PHE A 94 3.931 -7.743 7.797 1.00 75.11 C ATOM 1457 C PHE A 94 4.718 -8.022 9.092 1.00 2.12 C ATOM 1458 O PHE A 94 5.907 -8.349 9.045 1.00 4.33 O ATOM 1459 CB PHE A 94 3.991 -8.976 6.866 1.00 14.25 C ATOM 1460 CG PHE A 94 3.075 -8.870 5.645 1.00 5.22 C ATOM 1461 CD1 PHE A 94 1.691 -9.034 5.780 1.00 61.41 C ATOM 1462 CD2 PHE A 94 3.587 -8.604 4.374 1.00 0.35 C ATOM 1463 CE1 PHE A 94 0.856 -8.941 4.679 1.00 12.52 C ATOM 1464 CE2 PHE A 94 2.749 -8.509 3.276 1.00 71.02 C ATOM 1465 CZ PHE A 94 1.383 -8.677 3.429 1.00 72.51 C ATOM 0 H PHE A 94 5.239 -6.749 6.479 1.00 0.50 H new ATOM 0 HA PHE A 94 2.893 -7.546 8.067 1.00 75.11 H new ATOM 0 HB2 PHE A 94 5.018 -9.115 6.528 1.00 14.25 H new ATOM 0 HB3 PHE A 94 3.720 -9.864 7.436 1.00 14.25 H new ATOM 0 HD1 PHE A 94 1.270 -9.235 6.754 1.00 61.41 H new ATOM 0 HD2 PHE A 94 4.651 -8.471 4.245 1.00 0.35 H new ATOM 0 HE1 PHE A 94 -0.209 -9.075 4.798 1.00 12.52 H new ATOM 0 HE2 PHE A 94 3.161 -8.304 2.299 1.00 71.02 H new ATOM 0 HZ PHE A 94 0.730 -8.602 2.572 1.00 72.51 H new ATOM 1475 N ALA A 95 4.046 -7.884 10.245 1.00 55.40 N ATOM 1476 CA ALA A 95 4.592 -8.267 11.567 1.00 1.51 C ATOM 1477 C ALA A 95 3.626 -9.246 12.278 1.00 42.12 C ATOM 1478 O ALA A 95 2.481 -9.442 11.848 1.00 40.43 O ATOM 1479 CB ALA A 95 4.869 -7.015 12.424 1.00 70.33 C ATOM 0 H ALA A 95 3.102 -7.501 10.292 1.00 55.40 H new ATOM 0 HA ALA A 95 5.543 -8.780 11.424 1.00 1.51 H new ATOM 0 HB1 ALA A 95 5.270 -7.318 13.391 1.00 70.33 H new ATOM 0 HB2 ALA A 95 5.592 -6.378 11.915 1.00 70.33 H new ATOM 0 HB3 ALA A 95 3.941 -6.463 12.572 1.00 70.33 H new ATOM 1485 N ASP A 96 4.113 -9.859 13.357 1.00 11.13 N ATOM 1486 CA ASP A 96 3.392 -10.925 14.092 1.00 13.34 C ATOM 1487 C ASP A 96 2.468 -10.355 15.229 1.00 33.34 C ATOM 1488 O ASP A 96 1.266 -10.148 15.018 1.00 51.23 O ATOM 1489 CB ASP A 96 4.425 -11.997 14.582 1.00 53.23 C ATOM 1490 CG ASP A 96 5.554 -11.436 15.476 1.00 15.34 C ATOM 1491 OD1 ASP A 96 6.324 -10.579 15.021 1.00 64.02 O ATOM 1492 OD2 ASP A 96 5.622 -11.798 16.667 1.00 10.30 O ATOM 0 H ASP A 96 5.024 -9.636 13.757 1.00 11.13 H new ATOM 0 HA ASP A 96 2.695 -11.422 13.417 1.00 13.34 H new ATOM 0 HB2 ASP A 96 3.892 -12.771 15.134 1.00 53.23 H new ATOM 0 HB3 ASP A 96 4.872 -12.477 13.712 1.00 53.23 H new ATOM 1497 N GLU A 97 3.048 -10.083 16.411 1.00 11.32 N ATOM 1498 CA GLU A 97 2.377 -9.514 17.596 1.00 73.01 C ATOM 1499 C GLU A 97 3.436 -8.803 18.468 1.00 13.24 C ATOM 1500 O GLU A 97 3.159 -7.773 19.091 1.00 54.54 O ATOM 1501 CB GLU A 97 1.657 -10.627 18.424 1.00 12.04 C ATOM 1502 CG GLU A 97 2.573 -11.779 18.928 1.00 25.13 C ATOM 1503 CD GLU A 97 1.870 -12.759 19.883 1.00 33.13 C ATOM 1504 OE1 GLU A 97 1.013 -13.543 19.424 1.00 64.14 O ATOM 1505 OE2 GLU A 97 2.169 -12.755 21.098 1.00 63.33 O ATOM 0 H GLU A 97 4.039 -10.261 16.575 1.00 11.32 H new ATOM 0 HA GLU A 97 1.618 -8.802 17.271 1.00 73.01 H new ATOM 0 HB2 GLU A 97 1.178 -10.163 19.286 1.00 12.04 H new ATOM 0 HB3 GLU A 97 0.864 -11.057 17.812 1.00 12.04 H new ATOM 0 HG2 GLU A 97 2.951 -12.332 18.068 1.00 25.13 H new ATOM 0 HG3 GLU A 97 3.437 -11.349 19.435 1.00 25.13 H new ATOM 1512 N HIS A 98 4.662 -9.378 18.486 1.00 72.20 N ATOM 1513 CA HIS A 98 5.813 -8.835 19.234 1.00 54.03 C ATOM 1514 C HIS A 98 6.414 -7.603 18.505 1.00 53.14 C ATOM 1515 O HIS A 98 6.949 -6.700 19.151 1.00 2.45 O ATOM 1516 CB HIS A 98 6.894 -9.939 19.435 1.00 24.21 C ATOM 1517 CG HIS A 98 6.380 -11.199 20.095 1.00 60.12 C ATOM 1518 ND1 HIS A 98 5.872 -11.219 21.368 1.00 31.21 N ATOM 1519 CD2 HIS A 98 6.278 -12.474 19.642 1.00 51.44 C ATOM 1520 CE1 HIS A 98 5.471 -12.435 21.671 1.00 43.21 C ATOM 1521 NE2 HIS A 98 5.709 -13.216 20.643 1.00 24.45 N ATOM 0 H HIS A 98 4.878 -10.236 17.978 1.00 72.20 H new ATOM 0 HA HIS A 98 5.465 -8.508 20.214 1.00 54.03 H new ATOM 0 HB2 HIS A 98 7.317 -10.198 18.464 1.00 24.21 H new ATOM 0 HB3 HIS A 98 7.705 -9.532 20.038 1.00 24.21 H new ATOM 0 HD2 HIS A 98 6.588 -12.836 18.673 1.00 51.44 H new ATOM 0 HE1 HIS A 98 5.023 -12.739 22.606 1.00 43.21 H new ATOM 0 HE2 HIS A 98 5.503 -14.214 20.597 1.00 24.45 H new ATOM 1530 N GLY A 99 6.300 -7.579 17.158 1.00 4.04 N ATOM 1531 CA GLY A 99 6.782 -6.448 16.331 1.00 64.35 C ATOM 1532 C GLY A 99 7.910 -6.829 15.361 1.00 15.34 C ATOM 1533 O GLY A 99 8.521 -5.950 14.740 1.00 22.53 O ATOM 0 H GLY A 99 5.876 -8.333 16.618 1.00 4.04 H new ATOM 0 HA2 GLY A 99 5.945 -6.044 15.761 1.00 64.35 H new ATOM 0 HA3 GLY A 99 7.133 -5.653 16.988 1.00 64.35 H new ATOM 1537 N ALA A 100 8.183 -8.139 15.230 1.00 4.35 N ATOM 1538 CA ALA A 100 9.253 -8.661 14.345 1.00 23.11 C ATOM 1539 C ALA A 100 8.777 -8.735 12.866 1.00 61.33 C ATOM 1540 O ALA A 100 7.653 -9.188 12.609 1.00 12.25 O ATOM 1541 CB ALA A 100 9.698 -10.052 14.842 1.00 64.35 C ATOM 0 H ALA A 100 7.674 -8.868 15.730 1.00 4.35 H new ATOM 0 HA ALA A 100 10.100 -7.976 14.382 1.00 23.11 H new ATOM 0 HB1 ALA A 100 10.484 -10.436 14.192 1.00 64.35 H new ATOM 0 HB2 ALA A 100 10.077 -9.970 15.861 1.00 64.35 H new ATOM 0 HB3 ALA A 100 8.848 -10.734 14.825 1.00 64.35 H new ATOM 1547 N PRO A 101 9.616 -8.271 11.870 1.00 71.43 N ATOM 1548 CA PRO A 101 9.303 -8.429 10.424 1.00 31.22 C ATOM 1549 C PRO A 101 9.243 -9.928 10.019 1.00 74.35 C ATOM 1550 O PRO A 101 10.230 -10.658 10.183 1.00 71.31 O ATOM 1551 CB PRO A 101 10.471 -7.682 9.702 1.00 53.15 C ATOM 1552 CG PRO A 101 11.067 -6.801 10.759 1.00 43.02 C ATOM 1553 CD PRO A 101 10.907 -7.559 12.059 1.00 22.33 C ATOM 0 HA PRO A 101 8.326 -8.024 10.159 1.00 31.22 H new ATOM 0 HB2 PRO A 101 11.207 -8.383 9.309 1.00 53.15 H new ATOM 0 HB3 PRO A 101 10.106 -7.097 8.858 1.00 53.15 H new ATOM 0 HG2 PRO A 101 12.117 -6.596 10.552 1.00 43.02 H new ATOM 0 HG3 PRO A 101 10.556 -5.839 10.801 1.00 43.02 H new ATOM 0 HD2 PRO A 101 11.731 -8.253 12.226 1.00 22.33 H new ATOM 0 HD3 PRO A 101 10.877 -6.888 12.917 1.00 22.33 H new ATOM 1561 N VAL A 102 8.076 -10.372 9.522 1.00 2.52 N ATOM 1562 CA VAL A 102 7.831 -11.781 9.144 1.00 74.14 C ATOM 1563 C VAL A 102 8.697 -12.187 7.921 1.00 50.22 C ATOM 1564 O VAL A 102 8.401 -11.825 6.782 1.00 43.11 O ATOM 1565 CB VAL A 102 6.298 -12.029 8.859 1.00 31.21 C ATOM 1566 CG1 VAL A 102 6.011 -13.493 8.455 1.00 71.54 C ATOM 1567 CG2 VAL A 102 5.440 -11.625 10.085 1.00 35.12 C ATOM 0 H VAL A 102 7.271 -9.764 9.369 1.00 2.52 H new ATOM 0 HA VAL A 102 8.123 -12.411 9.984 1.00 74.14 H new ATOM 0 HB VAL A 102 6.022 -11.399 8.014 1.00 31.21 H new ATOM 0 HG11 VAL A 102 4.944 -13.617 8.269 1.00 71.54 H new ATOM 0 HG12 VAL A 102 6.568 -13.737 7.550 1.00 71.54 H new ATOM 0 HG13 VAL A 102 6.318 -14.160 9.261 1.00 71.54 H new ATOM 0 HG21 VAL A 102 4.387 -11.804 9.867 1.00 35.12 H new ATOM 0 HG22 VAL A 102 5.738 -12.219 10.949 1.00 35.12 H new ATOM 0 HG23 VAL A 102 5.591 -10.568 10.302 1.00 35.12 H new ATOM 1577 N ASP A 103 9.788 -12.926 8.195 1.00 4.23 N ATOM 1578 CA ASP A 103 10.751 -13.405 7.164 1.00 14.12 C ATOM 1579 C ASP A 103 10.143 -14.518 6.274 1.00 45.25 C ATOM 1580 O ASP A 103 10.623 -14.761 5.159 1.00 44.45 O ATOM 1581 CB ASP A 103 12.065 -13.877 7.841 1.00 71.41 C ATOM 1582 CG ASP A 103 11.837 -14.965 8.907 1.00 11.11 C ATOM 1583 OD1 ASP A 103 11.340 -14.634 10.007 1.00 60.32 O ATOM 1584 OD2 ASP A 103 12.146 -16.144 8.657 1.00 12.44 O ATOM 0 H ASP A 103 10.035 -13.214 9.142 1.00 4.23 H new ATOM 0 HA ASP A 103 10.980 -12.569 6.503 1.00 14.12 H new ATOM 0 HB2 ASP A 103 12.743 -14.260 7.078 1.00 71.41 H new ATOM 0 HB3 ASP A 103 12.557 -13.021 8.303 1.00 71.41 H new ATOM 1589 N GLU A 104 9.091 -15.180 6.793 1.00 4.12 N ATOM 1590 CA GLU A 104 8.206 -16.079 6.010 1.00 21.12 C ATOM 1591 C GLU A 104 7.565 -15.324 4.805 1.00 15.52 C ATOM 1592 O GLU A 104 7.408 -15.879 3.713 1.00 21.31 O ATOM 1593 CB GLU A 104 7.106 -16.652 6.952 1.00 3.32 C ATOM 1594 CG GLU A 104 6.019 -17.520 6.290 1.00 44.14 C ATOM 1595 CD GLU A 104 6.525 -18.885 5.782 1.00 63.12 C ATOM 1596 OE1 GLU A 104 6.993 -18.974 4.631 1.00 71.02 O ATOM 1597 OE2 GLU A 104 6.438 -19.879 6.532 1.00 72.50 O ATOM 0 H GLU A 104 8.825 -15.109 7.775 1.00 4.12 H new ATOM 0 HA GLU A 104 8.798 -16.898 5.602 1.00 21.12 H new ATOM 0 HB2 GLU A 104 7.594 -17.246 7.724 1.00 3.32 H new ATOM 0 HB3 GLU A 104 6.617 -15.817 7.454 1.00 3.32 H new ATOM 0 HG2 GLU A 104 5.216 -17.687 7.008 1.00 44.14 H new ATOM 0 HG3 GLU A 104 5.590 -16.969 5.453 1.00 44.14 H new ATOM 1604 N LEU A 105 7.206 -14.047 5.033 1.00 23.33 N ATOM 1605 CA LEU A 105 6.657 -13.140 3.988 1.00 55.31 C ATOM 1606 C LEU A 105 7.733 -12.154 3.460 1.00 30.12 C ATOM 1607 O LEU A 105 7.425 -11.275 2.652 1.00 22.43 O ATOM 1608 CB LEU A 105 5.438 -12.377 4.576 1.00 15.20 C ATOM 1609 CG LEU A 105 4.264 -13.292 5.057 1.00 71.01 C ATOM 1610 CD1 LEU A 105 3.100 -12.479 5.650 1.00 24.34 C ATOM 1611 CD2 LEU A 105 3.778 -14.210 3.917 1.00 11.42 C ATOM 0 H LEU A 105 7.286 -13.606 5.949 1.00 23.33 H new ATOM 0 HA LEU A 105 6.337 -13.737 3.134 1.00 55.31 H new ATOM 0 HB2 LEU A 105 5.777 -11.772 5.417 1.00 15.20 H new ATOM 0 HB3 LEU A 105 5.058 -11.689 3.820 1.00 15.20 H new ATOM 0 HG LEU A 105 4.653 -13.920 5.858 1.00 71.01 H new ATOM 0 HD11 LEU A 105 2.309 -13.157 5.970 1.00 24.34 H new ATOM 0 HD12 LEU A 105 3.456 -11.906 6.506 1.00 24.34 H new ATOM 0 HD13 LEU A 105 2.710 -11.797 4.894 1.00 24.34 H new ATOM 0 HD21 LEU A 105 2.962 -14.836 4.277 1.00 11.42 H new ATOM 0 HD22 LEU A 105 3.428 -13.601 3.084 1.00 11.42 H new ATOM 0 HD23 LEU A 105 4.601 -14.843 3.584 1.00 11.42 H new ATOM 1623 N GLY A 106 8.986 -12.353 3.933 1.00 32.40 N ATOM 1624 CA GLY A 106 10.156 -11.544 3.573 1.00 73.45 C ATOM 1625 C GLY A 106 9.970 -10.031 3.748 1.00 4.14 C ATOM 1626 O GLY A 106 9.333 -9.581 4.704 1.00 42.04 O ATOM 0 H GLY A 106 9.208 -13.100 4.591 1.00 32.40 H new ATOM 0 HA2 GLY A 106 11.003 -11.865 4.180 1.00 73.45 H new ATOM 0 HA3 GLY A 106 10.414 -11.746 2.534 1.00 73.45 H new ATOM 1630 N VAL A 107 10.589 -9.255 2.843 1.00 3.54 N ATOM 1631 CA VAL A 107 10.368 -7.797 2.707 1.00 45.24 C ATOM 1632 C VAL A 107 10.257 -7.457 1.204 1.00 3.51 C ATOM 1633 O VAL A 107 11.222 -7.632 0.451 1.00 50.24 O ATOM 1634 CB VAL A 107 11.523 -6.933 3.376 1.00 12.12 C ATOM 1635 CG1 VAL A 107 11.390 -5.422 3.038 1.00 60.45 C ATOM 1636 CG2 VAL A 107 11.556 -7.127 4.911 1.00 34.43 C ATOM 0 H VAL A 107 11.266 -9.623 2.175 1.00 3.54 H new ATOM 0 HA VAL A 107 9.448 -7.544 3.234 1.00 45.24 H new ATOM 0 HB VAL A 107 12.462 -7.293 2.956 1.00 12.12 H new ATOM 0 HG11 VAL A 107 12.199 -4.870 3.515 1.00 60.45 H new ATOM 0 HG12 VAL A 107 11.445 -5.285 1.958 1.00 60.45 H new ATOM 0 HG13 VAL A 107 10.433 -5.050 3.403 1.00 60.45 H new ATOM 0 HG21 VAL A 107 12.357 -6.523 5.337 1.00 34.43 H new ATOM 0 HG22 VAL A 107 10.602 -6.818 5.337 1.00 34.43 H new ATOM 0 HG23 VAL A 107 11.733 -8.178 5.141 1.00 34.43 H new ATOM 1646 N THR A 108 9.072 -7.000 0.771 1.00 72.21 N ATOM 1647 CA THR A 108 8.835 -6.515 -0.616 1.00 45.30 C ATOM 1648 C THR A 108 8.895 -4.969 -0.671 1.00 3.11 C ATOM 1649 O THR A 108 8.658 -4.301 0.332 1.00 63.13 O ATOM 1650 CB THR A 108 7.464 -7.011 -1.184 1.00 21.31 C ATOM 1651 OG1 THR A 108 7.327 -6.596 -2.559 1.00 42.32 O ATOM 1652 CG2 THR A 108 6.264 -6.493 -0.358 1.00 55.02 C ATOM 0 H THR A 108 8.245 -6.952 1.366 1.00 72.21 H new ATOM 0 HA THR A 108 9.627 -6.930 -1.239 1.00 45.30 H new ATOM 0 HB THR A 108 7.458 -8.099 -1.119 1.00 21.31 H new ATOM 0 HG1 THR A 108 6.417 -6.265 -2.712 1.00 42.32 H new ATOM 0 HG21 THR A 108 5.336 -6.865 -0.792 1.00 55.02 H new ATOM 0 HG22 THR A 108 6.350 -6.846 0.670 1.00 55.02 H new ATOM 0 HG23 THR A 108 6.259 -5.403 -0.368 1.00 55.02 H new ATOM 1660 N HIS A 109 9.214 -4.402 -1.846 1.00 2.32 N ATOM 1661 CA HIS A 109 9.411 -2.940 -2.004 1.00 60.13 C ATOM 1662 C HIS A 109 8.281 -2.314 -2.860 1.00 43.31 C ATOM 1663 O HIS A 109 8.259 -2.477 -4.068 1.00 61.13 O ATOM 1664 CB HIS A 109 10.797 -2.687 -2.645 1.00 20.04 C ATOM 1665 CG HIS A 109 11.205 -1.241 -2.683 1.00 74.13 C ATOM 1666 ND1 HIS A 109 11.872 -0.639 -1.650 1.00 5.11 N ATOM 1667 CD2 HIS A 109 11.043 -0.278 -3.624 1.00 4.12 C ATOM 1668 CE1 HIS A 109 12.101 0.609 -1.945 1.00 62.21 C ATOM 1669 NE2 HIS A 109 11.613 0.860 -3.130 1.00 64.42 N ATOM 0 H HIS A 109 9.343 -4.932 -2.708 1.00 2.32 H new ATOM 0 HA HIS A 109 9.373 -2.464 -1.024 1.00 60.13 H new ATOM 0 HB2 HIS A 109 11.549 -3.250 -2.092 1.00 20.04 H new ATOM 0 HB3 HIS A 109 10.791 -3.078 -3.663 1.00 20.04 H new ATOM 0 HD2 HIS A 109 10.556 -0.390 -4.581 1.00 4.12 H new ATOM 0 HE1 HIS A 109 12.611 1.320 -1.313 1.00 62.21 H new ATOM 0 HE2 HIS A 109 11.651 1.760 -3.609 1.00 64.42 H new ATOM 1678 N ALA A 110 7.371 -1.562 -2.223 1.00 70.33 N ATOM 1679 CA ALA A 110 6.208 -0.948 -2.910 1.00 4.31 C ATOM 1680 C ALA A 110 6.523 0.505 -3.352 1.00 12.33 C ATOM 1681 O ALA A 110 7.015 1.309 -2.555 1.00 33.41 O ATOM 1682 CB ALA A 110 4.982 -0.982 -1.992 1.00 63.41 C ATOM 0 H ALA A 110 7.413 -1.359 -1.224 1.00 70.33 H new ATOM 0 HA ALA A 110 5.992 -1.527 -3.808 1.00 4.31 H new ATOM 0 HB1 ALA A 110 4.132 -0.530 -2.503 1.00 63.41 H new ATOM 0 HB2 ALA A 110 4.745 -2.016 -1.739 1.00 63.41 H new ATOM 0 HB3 ALA A 110 5.195 -0.425 -1.080 1.00 63.41 H new ATOM 1688 N THR A 111 6.221 0.834 -4.623 1.00 10.15 N ATOM 1689 CA THR A 111 6.481 2.173 -5.216 1.00 71.44 C ATOM 1690 C THR A 111 5.150 2.837 -5.647 1.00 54.32 C ATOM 1691 O THR A 111 4.566 2.465 -6.661 1.00 63.21 O ATOM 1692 CB THR A 111 7.443 2.056 -6.458 1.00 73.43 C ATOM 1693 OG1 THR A 111 8.655 1.380 -6.067 1.00 41.24 O ATOM 1694 CG2 THR A 111 7.801 3.433 -7.064 1.00 5.01 C ATOM 0 H THR A 111 5.788 0.180 -5.275 1.00 10.15 H new ATOM 0 HA THR A 111 6.961 2.792 -4.458 1.00 71.44 H new ATOM 0 HB THR A 111 6.914 1.488 -7.223 1.00 73.43 H new ATOM 0 HG1 THR A 111 9.299 2.035 -5.726 1.00 41.24 H new ATOM 0 HG21 THR A 111 8.466 3.294 -7.916 1.00 5.01 H new ATOM 0 HG22 THR A 111 6.890 3.934 -7.392 1.00 5.01 H new ATOM 0 HG23 THR A 111 8.300 4.043 -6.311 1.00 5.01 H new ATOM 1702 N VAL A 112 4.704 3.847 -4.882 1.00 71.12 N ATOM 1703 CA VAL A 112 3.441 4.587 -5.132 1.00 40.11 C ATOM 1704 C VAL A 112 3.717 5.853 -5.988 1.00 74.44 C ATOM 1705 O VAL A 112 4.493 6.726 -5.586 1.00 43.30 O ATOM 1706 CB VAL A 112 2.754 5.006 -3.780 1.00 51.34 C ATOM 1707 CG1 VAL A 112 1.400 5.725 -4.032 1.00 63.43 C ATOM 1708 CG2 VAL A 112 2.581 3.781 -2.840 1.00 41.02 C ATOM 0 H VAL A 112 5.210 4.182 -4.062 1.00 71.12 H new ATOM 0 HA VAL A 112 2.768 3.923 -5.674 1.00 40.11 H new ATOM 0 HB VAL A 112 3.411 5.718 -3.279 1.00 51.34 H new ATOM 0 HG11 VAL A 112 0.952 6.001 -3.078 1.00 63.43 H new ATOM 0 HG12 VAL A 112 1.570 6.623 -4.626 1.00 63.43 H new ATOM 0 HG13 VAL A 112 0.727 5.056 -4.569 1.00 63.43 H new ATOM 0 HG21 VAL A 112 2.104 4.098 -1.913 1.00 41.02 H new ATOM 0 HG22 VAL A 112 1.960 3.031 -3.330 1.00 41.02 H new ATOM 0 HG23 VAL A 112 3.558 3.353 -2.617 1.00 41.02 H new ATOM 1718 N LYS A 113 3.088 5.936 -7.176 1.00 4.11 N ATOM 1719 CA LYS A 113 3.307 7.043 -8.143 1.00 22.04 C ATOM 1720 C LYS A 113 1.964 7.674 -8.592 1.00 23.04 C ATOM 1721 O LYS A 113 1.124 6.998 -9.197 1.00 22.10 O ATOM 1722 CB LYS A 113 4.094 6.498 -9.367 1.00 3.03 C ATOM 1723 CG LYS A 113 5.477 5.901 -9.008 1.00 10.01 C ATOM 1724 CD LYS A 113 6.252 5.372 -10.229 1.00 21.13 C ATOM 1725 CE LYS A 113 5.488 4.289 -11.007 1.00 42.23 C ATOM 1726 NZ LYS A 113 6.253 3.823 -12.186 1.00 24.30 N ATOM 0 H LYS A 113 2.414 5.242 -7.497 1.00 4.11 H new ATOM 0 HA LYS A 113 3.885 7.828 -7.656 1.00 22.04 H new ATOM 0 HB2 LYS A 113 3.495 5.732 -9.860 1.00 3.03 H new ATOM 0 HB3 LYS A 113 4.233 7.305 -10.086 1.00 3.03 H new ATOM 0 HG2 LYS A 113 6.075 6.664 -8.510 1.00 10.01 H new ATOM 0 HG3 LYS A 113 5.339 5.088 -8.295 1.00 10.01 H new ATOM 0 HD2 LYS A 113 6.474 6.203 -10.898 1.00 21.13 H new ATOM 0 HD3 LYS A 113 7.208 4.966 -9.897 1.00 21.13 H new ATOM 0 HE2 LYS A 113 5.282 3.445 -10.349 1.00 42.23 H new ATOM 0 HE3 LYS A 113 4.525 4.684 -11.330 1.00 42.23 H new ATOM 0 HZ1 LYS A 113 5.708 3.093 -12.687 1.00 24.30 H new ATOM 0 HZ2 LYS A 113 6.428 4.624 -12.825 1.00 24.30 H new ATOM 0 HZ3 LYS A 113 7.162 3.424 -11.875 1.00 24.30 H new ATOM 1740 N LEU A 114 1.771 8.971 -8.273 1.00 41.15 N ATOM 1741 CA LEU A 114 0.553 9.738 -8.639 1.00 34.51 C ATOM 1742 C LEU A 114 0.777 10.599 -9.905 1.00 43.12 C ATOM 1743 O LEU A 114 1.819 11.251 -10.048 1.00 21.30 O ATOM 1744 CB LEU A 114 0.118 10.639 -7.459 1.00 63.45 C ATOM 1745 CG LEU A 114 -0.155 9.903 -6.108 1.00 31.21 C ATOM 1746 CD1 LEU A 114 -0.488 10.898 -4.986 1.00 62.30 C ATOM 1747 CD2 LEU A 114 -1.275 8.859 -6.260 1.00 4.10 C ATOM 0 H LEU A 114 2.455 9.521 -7.753 1.00 41.15 H new ATOM 0 HA LEU A 114 -0.236 9.019 -8.860 1.00 34.51 H new ATOM 0 HB2 LEU A 114 0.892 11.388 -7.293 1.00 63.45 H new ATOM 0 HB3 LEU A 114 -0.786 11.174 -7.749 1.00 63.45 H new ATOM 0 HG LEU A 114 0.760 9.380 -5.831 1.00 31.21 H new ATOM 0 HD11 LEU A 114 -0.673 10.354 -4.060 1.00 62.30 H new ATOM 0 HD12 LEU A 114 0.350 11.581 -4.845 1.00 62.30 H new ATOM 0 HD13 LEU A 114 -1.378 11.467 -5.256 1.00 62.30 H new ATOM 0 HD21 LEU A 114 -1.442 8.363 -5.304 1.00 4.10 H new ATOM 0 HD22 LEU A 114 -2.193 9.354 -6.578 1.00 4.10 H new ATOM 0 HD23 LEU A 114 -0.984 8.119 -7.006 1.00 4.10 H new ATOM 1759 N GLU A 115 -0.211 10.591 -10.817 1.00 4.14 N ATOM 1760 CA GLU A 115 -0.172 11.346 -12.096 1.00 35.40 C ATOM 1761 C GLU A 115 -1.403 12.294 -12.201 1.00 12.41 C ATOM 1762 O GLU A 115 -2.540 11.818 -12.119 1.00 33.44 O ATOM 1763 CB GLU A 115 -0.151 10.360 -13.300 1.00 1.24 C ATOM 1764 CG GLU A 115 1.048 9.394 -13.307 1.00 73.32 C ATOM 1765 CD GLU A 115 1.041 8.422 -14.498 1.00 71.21 C ATOM 1766 OE1 GLU A 115 1.555 8.783 -15.583 1.00 5.41 O ATOM 1767 OE2 GLU A 115 0.522 7.296 -14.363 1.00 40.10 O ATOM 0 H GLU A 115 -1.071 10.057 -10.692 1.00 4.14 H new ATOM 0 HA GLU A 115 0.736 11.948 -12.118 1.00 35.40 H new ATOM 0 HB2 GLU A 115 -1.072 9.777 -13.293 1.00 1.24 H new ATOM 0 HB3 GLU A 115 -0.144 10.935 -14.226 1.00 1.24 H new ATOM 0 HG2 GLU A 115 1.971 9.973 -13.325 1.00 73.32 H new ATOM 0 HG3 GLU A 115 1.049 8.821 -12.380 1.00 73.32 H new ATOM 1774 N PRO A 116 -1.196 13.644 -12.376 1.00 11.23 N ATOM 1775 CA PRO A 116 -2.309 14.628 -12.489 1.00 61.42 C ATOM 1776 C PRO A 116 -3.183 14.419 -13.753 1.00 24.21 C ATOM 1777 O PRO A 116 -2.770 14.766 -14.861 1.00 44.40 O ATOM 1778 CB PRO A 116 -1.585 16.011 -12.533 1.00 73.44 C ATOM 1779 CG PRO A 116 -0.180 15.747 -12.072 1.00 30.14 C ATOM 1780 CD PRO A 116 0.126 14.320 -12.462 1.00 11.11 C ATOM 0 HA PRO A 116 -3.009 14.530 -11.659 1.00 61.42 H new ATOM 0 HB2 PRO A 116 -1.595 16.427 -13.541 1.00 73.44 H new ATOM 0 HB3 PRO A 116 -2.081 16.734 -11.885 1.00 73.44 H new ATOM 0 HG2 PRO A 116 0.521 16.438 -12.541 1.00 30.14 H new ATOM 0 HG3 PRO A 116 -0.091 15.885 -10.994 1.00 30.14 H new ATOM 0 HD2 PRO A 116 0.543 14.260 -13.467 1.00 11.11 H new ATOM 0 HD3 PRO A 116 0.853 13.867 -11.788 1.00 11.11 H new ATOM 1788 N LEU A 117 -4.383 13.833 -13.579 1.00 2.44 N ATOM 1789 CA LEU A 117 -5.380 13.698 -14.674 1.00 32.32 C ATOM 1790 C LEU A 117 -6.363 14.897 -14.633 1.00 45.31 C ATOM 1791 O LEU A 117 -7.586 14.720 -14.650 1.00 72.24 O ATOM 1792 CB LEU A 117 -6.144 12.340 -14.553 1.00 43.14 C ATOM 1793 CG LEU A 117 -5.277 11.045 -14.449 1.00 21.21 C ATOM 1794 CD1 LEU A 117 -6.174 9.787 -14.338 1.00 23.52 C ATOM 1795 CD2 LEU A 117 -4.279 10.923 -15.625 1.00 62.20 C ATOM 0 H LEU A 117 -4.692 13.442 -12.689 1.00 2.44 H new ATOM 0 HA LEU A 117 -4.863 13.704 -15.634 1.00 32.32 H new ATOM 0 HB2 LEU A 117 -6.786 12.390 -13.673 1.00 43.14 H new ATOM 0 HB3 LEU A 117 -6.798 12.241 -15.419 1.00 43.14 H new ATOM 0 HG LEU A 117 -4.686 11.120 -13.536 1.00 21.21 H new ATOM 0 HD11 LEU A 117 -5.547 8.898 -14.267 1.00 23.52 H new ATOM 0 HD12 LEU A 117 -6.798 9.863 -13.448 1.00 23.52 H new ATOM 0 HD13 LEU A 117 -6.809 9.714 -15.221 1.00 23.52 H new ATOM 0 HD21 LEU A 117 -3.696 10.009 -15.514 1.00 62.20 H new ATOM 0 HD22 LEU A 117 -4.828 10.891 -16.566 1.00 62.20 H new ATOM 0 HD23 LEU A 117 -3.609 11.783 -15.624 1.00 62.20 H new ATOM 1807 N GLU A 118 -5.787 16.121 -14.599 1.00 40.43 N ATOM 1808 CA GLU A 118 -6.529 17.407 -14.464 1.00 34.11 C ATOM 1809 C GLU A 118 -7.345 17.478 -13.152 1.00 11.13 C ATOM 1810 O GLU A 118 -6.889 18.027 -12.142 1.00 52.22 O ATOM 1811 CB GLU A 118 -7.455 17.702 -15.698 1.00 22.44 C ATOM 1812 CG GLU A 118 -6.734 17.963 -17.030 1.00 31.12 C ATOM 1813 CD GLU A 118 -6.038 16.724 -17.621 1.00 20.32 C ATOM 1814 OE1 GLU A 118 -6.733 15.887 -18.235 1.00 34.25 O ATOM 1815 OE2 GLU A 118 -4.807 16.566 -17.455 1.00 5.41 O ATOM 0 H GLU A 118 -4.777 16.250 -14.665 1.00 40.43 H new ATOM 0 HA GLU A 118 -5.765 18.183 -14.430 1.00 34.11 H new ATOM 0 HB2 GLU A 118 -8.130 16.857 -15.832 1.00 22.44 H new ATOM 0 HB3 GLU A 118 -8.073 18.569 -15.465 1.00 22.44 H new ATOM 0 HG2 GLU A 118 -7.456 18.341 -17.754 1.00 31.12 H new ATOM 0 HG3 GLU A 118 -5.992 18.747 -16.881 1.00 31.12 H new ATOM 1822 N ASN A 119 -8.553 16.899 -13.186 1.00 61.54 N ATOM 1823 CA ASN A 119 -9.504 16.906 -12.066 1.00 64.43 C ATOM 1824 C ASN A 119 -9.510 15.543 -11.326 1.00 11.45 C ATOM 1825 O ASN A 119 -9.909 15.455 -10.163 1.00 42.25 O ATOM 1826 CB ASN A 119 -10.906 17.293 -12.611 1.00 41.14 C ATOM 1827 CG ASN A 119 -11.413 16.428 -13.782 1.00 2.55 C ATOM 1828 OD1 ASN A 119 -11.040 15.272 -13.956 1.00 52.53 O ATOM 1829 ND2 ASN A 119 -12.283 16.988 -14.596 1.00 51.15 N ATOM 0 H ASN A 119 -8.903 16.404 -14.007 1.00 61.54 H new ATOM 0 HA ASN A 119 -9.202 17.646 -11.325 1.00 64.43 H new ATOM 0 HB2 ASN A 119 -11.626 17.231 -11.795 1.00 41.14 H new ATOM 0 HB3 ASN A 119 -10.879 18.334 -12.933 1.00 41.14 H new ATOM 0 HD21 ASN A 119 -12.657 16.460 -15.385 1.00 51.15 H new ATOM 0 HD22 ASN A 119 -12.583 17.950 -14.438 1.00 51.15 H new ATOM 1836 N ARG A 120 -9.088 14.481 -12.037 1.00 73.54 N ATOM 1837 CA ARG A 120 -8.825 13.150 -11.453 1.00 62.44 C ATOM 1838 C ARG A 120 -7.306 12.959 -11.205 1.00 34.32 C ATOM 1839 O ARG A 120 -6.501 13.860 -11.470 1.00 11.11 O ATOM 1840 CB ARG A 120 -9.356 12.031 -12.393 1.00 42.34 C ATOM 1841 CG ARG A 120 -10.871 12.093 -12.682 1.00 61.15 C ATOM 1842 CD ARG A 120 -11.383 10.861 -13.444 1.00 62.43 C ATOM 1843 NE ARG A 120 -10.783 10.743 -14.788 1.00 52.51 N ATOM 1844 CZ ARG A 120 -10.388 9.630 -15.372 1.00 41.22 C ATOM 1845 NH1 ARG A 120 -10.488 8.475 -14.783 1.00 40.34 N ATOM 1846 NH2 ARG A 120 -9.886 9.685 -16.558 1.00 12.13 N ATOM 0 H ARG A 120 -8.918 14.522 -13.042 1.00 73.54 H new ATOM 0 HA ARG A 120 -9.347 13.084 -10.499 1.00 62.44 H new ATOM 0 HB2 ARG A 120 -8.817 12.085 -13.339 1.00 42.34 H new ATOM 0 HB3 ARG A 120 -9.124 11.063 -11.949 1.00 42.34 H new ATOM 0 HG2 ARG A 120 -11.412 12.183 -11.740 1.00 61.15 H new ATOM 0 HG3 ARG A 120 -11.089 12.990 -13.262 1.00 61.15 H new ATOM 0 HD2 ARG A 120 -11.160 9.962 -12.869 1.00 62.43 H new ATOM 0 HD3 ARG A 120 -12.468 10.919 -13.537 1.00 62.43 H new ATOM 0 HE ARG A 120 -10.663 11.607 -15.316 1.00 52.51 H new ATOM 0 HH11 ARG A 120 -10.881 8.414 -13.844 1.00 40.34 H new ATOM 0 HH12 ARG A 120 -10.174 7.630 -15.260 1.00 40.34 H new ATOM 0 HH21 ARG A 120 -9.798 10.583 -17.034 1.00 12.13 H new ATOM 0 HH22 ARG A 120 -9.576 8.830 -17.021 1.00 12.13 H new ATOM 1860 N THR A 121 -6.923 11.779 -10.685 1.00 64.33 N ATOM 1861 CA THR A 121 -5.499 11.394 -10.498 1.00 54.33 C ATOM 1862 C THR A 121 -5.323 9.869 -10.674 1.00 74.33 C ATOM 1863 O THR A 121 -6.204 9.080 -10.316 1.00 41.20 O ATOM 1864 CB THR A 121 -4.950 11.863 -9.100 1.00 13.11 C ATOM 1865 OG1 THR A 121 -4.961 13.294 -9.047 1.00 24.22 O ATOM 1866 CG2 THR A 121 -3.516 11.370 -8.798 1.00 11.04 C ATOM 0 H THR A 121 -7.583 11.063 -10.382 1.00 64.33 H new ATOM 0 HA THR A 121 -4.914 11.902 -11.265 1.00 54.33 H new ATOM 0 HB THR A 121 -5.605 11.424 -8.347 1.00 13.11 H new ATOM 0 HG1 THR A 121 -5.858 13.605 -8.804 1.00 24.22 H new ATOM 0 HG21 THR A 121 -3.205 11.732 -7.818 1.00 11.04 H new ATOM 0 HG22 THR A 121 -3.497 10.280 -8.805 1.00 11.04 H new ATOM 0 HG23 THR A 121 -2.833 11.749 -9.558 1.00 11.04 H new ATOM 1874 N ARG A 122 -4.170 9.481 -11.233 1.00 2.33 N ATOM 1875 CA ARG A 122 -3.802 8.085 -11.490 1.00 23.11 C ATOM 1876 C ARG A 122 -2.783 7.612 -10.433 1.00 23.54 C ATOM 1877 O ARG A 122 -1.733 8.218 -10.283 1.00 73.30 O ATOM 1878 CB ARG A 122 -3.159 7.991 -12.899 1.00 63.44 C ATOM 1879 CG ARG A 122 -2.642 6.592 -13.285 1.00 74.25 C ATOM 1880 CD ARG A 122 -3.773 5.599 -13.589 1.00 60.44 C ATOM 1881 NE ARG A 122 -4.529 5.995 -14.792 1.00 73.14 N ATOM 1882 CZ ARG A 122 -4.234 5.656 -16.029 1.00 3.43 C ATOM 1883 NH1 ARG A 122 -3.164 4.977 -16.315 1.00 43.32 N ATOM 1884 NH2 ARG A 122 -5.009 6.030 -16.984 1.00 32.52 N ATOM 0 H ARG A 122 -3.452 10.144 -11.525 1.00 2.33 H new ATOM 0 HA ARG A 122 -4.690 7.455 -11.439 1.00 23.11 H new ATOM 0 HB2 ARG A 122 -3.894 8.308 -13.639 1.00 63.44 H new ATOM 0 HB3 ARG A 122 -2.329 8.696 -12.951 1.00 63.44 H new ATOM 0 HG2 ARG A 122 -1.996 6.677 -14.159 1.00 74.25 H new ATOM 0 HG3 ARG A 122 -2.030 6.200 -12.473 1.00 74.25 H new ATOM 0 HD2 ARG A 122 -3.355 4.602 -13.732 1.00 60.44 H new ATOM 0 HD3 ARG A 122 -4.448 5.542 -12.735 1.00 60.44 H new ATOM 0 HE ARG A 122 -5.351 6.582 -14.653 1.00 73.14 H new ATOM 0 HH11 ARG A 122 -2.527 4.692 -15.571 1.00 43.32 H new ATOM 0 HH12 ARG A 122 -2.961 4.729 -17.283 1.00 43.32 H new ATOM 0 HH21 ARG A 122 -5.841 6.583 -16.779 1.00 32.52 H new ATOM 0 HH22 ARG A 122 -4.792 5.774 -17.947 1.00 32.52 H new ATOM 1898 N MET A 123 -3.093 6.529 -9.710 1.00 34.02 N ATOM 1899 CA MET A 123 -2.140 5.905 -8.773 1.00 3.01 C ATOM 1900 C MET A 123 -1.620 4.575 -9.353 1.00 73.32 C ATOM 1901 O MET A 123 -2.399 3.767 -9.869 1.00 12.53 O ATOM 1902 CB MET A 123 -2.794 5.669 -7.391 1.00 71.53 C ATOM 1903 CG MET A 123 -1.807 5.174 -6.313 1.00 13.22 C ATOM 1904 SD MET A 123 -2.583 4.923 -4.704 1.00 12.41 S ATOM 1905 CE MET A 123 -3.748 3.624 -5.099 1.00 3.14 C ATOM 0 H MET A 123 -3.999 6.062 -9.754 1.00 34.02 H new ATOM 0 HA MET A 123 -1.300 6.586 -8.637 1.00 3.01 H new ATOM 0 HB2 MET A 123 -3.252 6.598 -7.052 1.00 71.53 H new ATOM 0 HB3 MET A 123 -3.596 4.939 -7.499 1.00 71.53 H new ATOM 0 HG2 MET A 123 -1.358 4.237 -6.643 1.00 13.22 H new ATOM 0 HG3 MET A 123 -0.998 5.897 -6.211 1.00 13.22 H new ATOM 0 HE1 MET A 123 -4.764 4.013 -5.029 1.00 3.14 H new ATOM 0 HE2 MET A 123 -3.565 3.267 -6.112 1.00 3.14 H new ATOM 0 HE3 MET A 123 -3.626 2.800 -4.396 1.00 3.14 H new ATOM 1915 N THR A 124 -0.300 4.366 -9.274 1.00 44.25 N ATOM 1916 CA THR A 124 0.348 3.097 -9.664 1.00 75.03 C ATOM 1917 C THR A 124 1.290 2.626 -8.536 1.00 53.51 C ATOM 1918 O THR A 124 2.288 3.288 -8.243 1.00 64.50 O ATOM 1919 CB THR A 124 1.139 3.259 -11.010 1.00 23.31 C ATOM 1920 OG1 THR A 124 0.238 3.654 -12.063 1.00 22.13 O ATOM 1921 CG2 THR A 124 1.861 1.964 -11.427 1.00 31.55 C ATOM 0 H THR A 124 0.355 5.072 -8.937 1.00 44.25 H new ATOM 0 HA THR A 124 -0.425 2.345 -9.821 1.00 75.03 H new ATOM 0 HB THR A 124 1.895 4.026 -10.845 1.00 23.31 H new ATOM 0 HG1 THR A 124 0.737 3.755 -12.900 1.00 22.13 H new ATOM 0 HG21 THR A 124 2.393 2.129 -12.364 1.00 31.55 H new ATOM 0 HG22 THR A 124 2.572 1.678 -10.652 1.00 31.55 H new ATOM 0 HG23 THR A 124 1.130 1.167 -11.561 1.00 31.55 H new ATOM 1929 N ILE A 125 0.951 1.487 -7.893 1.00 1.13 N ATOM 1930 CA ILE A 125 1.763 0.905 -6.795 1.00 12.45 C ATOM 1931 C ILE A 125 2.498 -0.351 -7.306 1.00 32.42 C ATOM 1932 O ILE A 125 1.856 -1.352 -7.617 1.00 2.33 O ATOM 1933 CB ILE A 125 0.901 0.508 -5.538 1.00 1.42 C ATOM 1934 CG1 ILE A 125 -0.045 1.672 -5.099 1.00 62.01 C ATOM 1935 CG2 ILE A 125 1.833 0.077 -4.367 1.00 14.01 C ATOM 1936 CD1 ILE A 125 -0.961 1.330 -3.926 1.00 24.14 C ATOM 0 H ILE A 125 0.115 0.947 -8.116 1.00 1.13 H new ATOM 0 HA ILE A 125 2.469 1.675 -6.483 1.00 12.45 H new ATOM 0 HB ILE A 125 0.268 -0.336 -5.813 1.00 1.42 H new ATOM 0 HG12 ILE A 125 0.562 2.536 -4.830 1.00 62.01 H new ATOM 0 HG13 ILE A 125 -0.659 1.966 -5.950 1.00 62.01 H new ATOM 0 HG21 ILE A 125 1.228 -0.196 -3.502 1.00 14.01 H new ATOM 0 HG22 ILE A 125 2.432 -0.780 -4.675 1.00 14.01 H new ATOM 0 HG23 ILE A 125 2.492 0.904 -4.103 1.00 14.01 H new ATOM 0 HD11 ILE A 125 -1.583 2.192 -3.687 1.00 24.14 H new ATOM 0 HD12 ILE A 125 -1.597 0.487 -4.195 1.00 24.14 H new ATOM 0 HD13 ILE A 125 -0.357 1.066 -3.058 1.00 24.14 H new ATOM 1948 N ILE A 126 3.836 -0.290 -7.384 1.00 55.41 N ATOM 1949 CA ILE A 126 4.670 -1.388 -7.911 1.00 31.02 C ATOM 1950 C ILE A 126 5.430 -2.096 -6.763 1.00 64.33 C ATOM 1951 O ILE A 126 6.405 -1.567 -6.231 1.00 65.24 O ATOM 1952 CB ILE A 126 5.681 -0.843 -8.984 1.00 71.11 C ATOM 1953 CG1 ILE A 126 4.913 -0.053 -10.092 1.00 43.13 C ATOM 1954 CG2 ILE A 126 6.529 -1.990 -9.596 1.00 1.35 C ATOM 1955 CD1 ILE A 126 5.791 0.631 -11.118 1.00 11.25 C ATOM 0 H ILE A 126 4.374 0.523 -7.083 1.00 55.41 H new ATOM 0 HA ILE A 126 4.015 -2.116 -8.389 1.00 31.02 H new ATOM 0 HB ILE A 126 6.373 -0.161 -8.489 1.00 71.11 H new ATOM 0 HG12 ILE A 126 4.244 -0.741 -10.610 1.00 43.13 H new ATOM 0 HG13 ILE A 126 4.287 0.700 -9.612 1.00 43.13 H new ATOM 0 HG21 ILE A 126 7.218 -1.579 -10.334 1.00 1.35 H new ATOM 0 HG22 ILE A 126 7.095 -2.485 -8.807 1.00 1.35 H new ATOM 0 HG23 ILE A 126 5.870 -2.713 -10.077 1.00 1.35 H new ATOM 0 HD11 ILE A 126 5.165 1.152 -11.843 1.00 11.25 H new ATOM 0 HD12 ILE A 126 6.442 1.349 -10.619 1.00 11.25 H new ATOM 0 HD13 ILE A 126 6.398 -0.114 -11.632 1.00 11.25 H new ATOM 1967 N SER A 127 4.952 -3.287 -6.385 1.00 32.41 N ATOM 1968 CA SER A 127 5.550 -4.106 -5.316 1.00 2.23 C ATOM 1969 C SER A 127 6.580 -5.088 -5.923 1.00 53.23 C ATOM 1970 O SER A 127 6.210 -6.087 -6.537 1.00 51.32 O ATOM 1971 CB SER A 127 4.421 -4.867 -4.569 1.00 73.02 C ATOM 1972 OG SER A 127 4.922 -5.621 -3.480 1.00 30.30 O ATOM 0 H SER A 127 4.132 -3.716 -6.814 1.00 32.41 H new ATOM 0 HA SER A 127 6.073 -3.469 -4.603 1.00 2.23 H new ATOM 0 HB2 SER A 127 3.681 -4.154 -4.206 1.00 73.02 H new ATOM 0 HB3 SER A 127 3.909 -5.531 -5.265 1.00 73.02 H new ATOM 0 HG SER A 127 4.884 -6.576 -3.698 1.00 30.30 H new ATOM 1978 N THR A 128 7.876 -4.775 -5.757 1.00 21.44 N ATOM 1979 CA THR A 128 8.993 -5.584 -6.281 1.00 20.15 C ATOM 1980 C THR A 128 9.460 -6.605 -5.221 1.00 54.22 C ATOM 1981 O THR A 128 10.003 -6.241 -4.174 1.00 5.52 O ATOM 1982 CB THR A 128 10.198 -4.683 -6.732 1.00 52.00 C ATOM 1983 OG1 THR A 128 10.698 -3.918 -5.626 1.00 2.23 O ATOM 1984 CG2 THR A 128 9.798 -3.721 -7.868 1.00 60.52 C ATOM 0 H THR A 128 8.182 -3.945 -5.250 1.00 21.44 H new ATOM 0 HA THR A 128 8.630 -6.120 -7.158 1.00 20.15 H new ATOM 0 HB THR A 128 10.976 -5.352 -7.100 1.00 52.00 H new ATOM 0 HG1 THR A 128 10.358 -3.001 -5.682 1.00 2.23 H new ATOM 0 HG21 THR A 128 10.659 -3.115 -8.152 1.00 60.52 H new ATOM 0 HG22 THR A 128 9.459 -4.296 -8.730 1.00 60.52 H new ATOM 0 HG23 THR A 128 8.993 -3.070 -7.527 1.00 60.52 H new ATOM 1992 N PHE A 129 9.196 -7.883 -5.502 1.00 14.32 N ATOM 1993 CA PHE A 129 9.515 -9.018 -4.613 1.00 34.23 C ATOM 1994 C PHE A 129 10.983 -9.473 -4.788 1.00 62.42 C ATOM 1995 O PHE A 129 11.551 -9.350 -5.876 1.00 65.40 O ATOM 1996 CB PHE A 129 8.555 -10.188 -4.923 1.00 71.42 C ATOM 1997 CG PHE A 129 7.082 -9.787 -4.873 1.00 10.34 C ATOM 1998 CD1 PHE A 129 6.405 -9.689 -3.661 1.00 54.24 C ATOM 1999 CD2 PHE A 129 6.375 -9.504 -6.042 1.00 3.42 C ATOM 2000 CE1 PHE A 129 5.074 -9.321 -3.624 1.00 73.14 C ATOM 2001 CE2 PHE A 129 5.047 -9.144 -6.002 1.00 41.50 C ATOM 2002 CZ PHE A 129 4.395 -9.050 -4.793 1.00 21.34 C ATOM 0 H PHE A 129 8.745 -8.171 -6.371 1.00 14.32 H new ATOM 0 HA PHE A 129 9.389 -8.699 -3.579 1.00 34.23 H new ATOM 0 HB2 PHE A 129 8.784 -10.585 -5.912 1.00 71.42 H new ATOM 0 HB3 PHE A 129 8.730 -10.992 -4.209 1.00 71.42 H new ATOM 0 HD1 PHE A 129 6.926 -9.903 -2.739 1.00 54.24 H new ATOM 0 HD2 PHE A 129 6.879 -9.569 -6.995 1.00 3.42 H new ATOM 0 HE1 PHE A 129 4.563 -9.245 -2.675 1.00 73.14 H new ATOM 0 HE2 PHE A 129 4.516 -8.935 -6.919 1.00 41.50 H new ATOM 0 HZ PHE A 129 3.354 -8.765 -4.760 1.00 21.34 H new ATOM 2012 N GLU A 130 11.565 -10.031 -3.711 1.00 74.52 N ATOM 2013 CA GLU A 130 12.988 -10.463 -3.672 1.00 33.33 C ATOM 2014 C GLU A 130 13.250 -11.720 -4.554 1.00 2.24 C ATOM 2015 O GLU A 130 14.339 -11.873 -5.116 1.00 51.53 O ATOM 2016 CB GLU A 130 13.407 -10.705 -2.188 1.00 2.13 C ATOM 2017 CG GLU A 130 12.505 -11.702 -1.421 1.00 0.23 C ATOM 2018 CD GLU A 130 12.792 -11.774 0.093 1.00 75.42 C ATOM 2019 OE1 GLU A 130 12.275 -10.920 0.847 1.00 53.41 O ATOM 2020 OE2 GLU A 130 13.543 -12.670 0.531 1.00 23.31 O ATOM 0 H GLU A 130 11.066 -10.199 -2.837 1.00 74.52 H new ATOM 0 HA GLU A 130 13.603 -9.669 -4.096 1.00 33.33 H new ATOM 0 HB2 GLU A 130 14.433 -11.074 -2.169 1.00 2.13 H new ATOM 0 HB3 GLU A 130 13.401 -9.750 -1.662 1.00 2.13 H new ATOM 0 HG2 GLU A 130 11.462 -11.421 -1.569 1.00 0.23 H new ATOM 0 HG3 GLU A 130 12.631 -12.695 -1.852 1.00 0.23 H new ATOM 2027 N SER A 131 12.232 -12.590 -4.691 1.00 34.44 N ATOM 2028 CA SER A 131 12.319 -13.845 -5.491 1.00 51.40 C ATOM 2029 C SER A 131 10.947 -14.221 -6.098 1.00 60.45 C ATOM 2030 O SER A 131 9.916 -13.630 -5.751 1.00 54.02 O ATOM 2031 CB SER A 131 12.852 -15.017 -4.616 1.00 53.51 C ATOM 2032 OG SER A 131 14.195 -14.803 -4.205 1.00 73.42 O ATOM 0 H SER A 131 11.321 -12.450 -4.253 1.00 34.44 H new ATOM 0 HA SER A 131 13.017 -13.666 -6.309 1.00 51.40 H new ATOM 0 HB2 SER A 131 12.217 -15.132 -3.737 1.00 53.51 H new ATOM 0 HB3 SER A 131 12.789 -15.948 -5.179 1.00 53.51 H new ATOM 0 HG SER A 131 14.494 -15.558 -3.657 1.00 73.42 H new ATOM 2038 N GLU A 132 10.945 -15.202 -7.028 1.00 53.31 N ATOM 2039 CA GLU A 132 9.689 -15.769 -7.581 1.00 44.34 C ATOM 2040 C GLU A 132 8.899 -16.523 -6.487 1.00 11.33 C ATOM 2041 O GLU A 132 7.695 -16.318 -6.340 1.00 14.43 O ATOM 2042 CB GLU A 132 9.972 -16.701 -8.786 1.00 71.22 C ATOM 2043 CG GLU A 132 8.705 -17.299 -9.431 1.00 11.52 C ATOM 2044 CD GLU A 132 9.006 -18.210 -10.629 1.00 13.20 C ATOM 2045 OE1 GLU A 132 9.323 -19.404 -10.420 1.00 74.54 O ATOM 2046 OE2 GLU A 132 8.933 -17.741 -11.782 1.00 44.45 O ATOM 0 H GLU A 132 11.794 -15.618 -7.412 1.00 53.31 H new ATOM 0 HA GLU A 132 9.081 -14.937 -7.937 1.00 44.34 H new ATOM 0 HB2 GLU A 132 10.522 -16.142 -9.543 1.00 71.22 H new ATOM 0 HB3 GLU A 132 10.618 -17.515 -8.458 1.00 71.22 H new ATOM 0 HG2 GLU A 132 8.157 -17.868 -8.680 1.00 11.52 H new ATOM 0 HG3 GLU A 132 8.053 -16.488 -9.755 1.00 11.52 H new ATOM 2053 N GLU A 133 9.605 -17.362 -5.701 1.00 33.21 N ATOM 2054 CA GLU A 133 9.015 -18.101 -4.551 1.00 53.13 C ATOM 2055 C GLU A 133 8.340 -17.137 -3.532 1.00 14.34 C ATOM 2056 O GLU A 133 7.364 -17.511 -2.871 1.00 71.34 O ATOM 2057 CB GLU A 133 10.106 -18.952 -3.848 1.00 54.24 C ATOM 2058 CG GLU A 133 11.283 -18.129 -3.276 1.00 40.24 C ATOM 2059 CD GLU A 133 12.348 -18.986 -2.583 1.00 1.14 C ATOM 2060 OE1 GLU A 133 13.224 -19.544 -3.281 1.00 40.33 O ATOM 2061 OE2 GLU A 133 12.318 -19.112 -1.342 1.00 13.34 O ATOM 0 H GLU A 133 10.598 -17.550 -5.840 1.00 33.21 H new ATOM 0 HA GLU A 133 8.240 -18.761 -4.941 1.00 53.13 H new ATOM 0 HB2 GLU A 133 9.644 -19.516 -3.038 1.00 54.24 H new ATOM 0 HB3 GLU A 133 10.498 -19.679 -4.559 1.00 54.24 H new ATOM 0 HG2 GLU A 133 11.750 -17.567 -4.085 1.00 40.24 H new ATOM 0 HG3 GLU A 133 10.895 -17.400 -2.564 1.00 40.24 H new ATOM 2068 N GLN A 134 8.884 -15.904 -3.419 1.00 14.35 N ATOM 2069 CA GLN A 134 8.296 -14.827 -2.604 1.00 34.14 C ATOM 2070 C GLN A 134 6.896 -14.442 -3.137 1.00 24.25 C ATOM 2071 O GLN A 134 5.916 -14.529 -2.410 1.00 53.12 O ATOM 2072 CB GLN A 134 9.232 -13.583 -2.603 1.00 74.22 C ATOM 2073 CG GLN A 134 8.736 -12.360 -1.791 1.00 51.04 C ATOM 2074 CD GLN A 134 8.842 -12.491 -0.273 1.00 54.55 C ATOM 2075 OE1 GLN A 134 8.758 -13.574 0.299 1.00 3.42 O ATOM 2076 NE2 GLN A 134 9.035 -11.370 0.387 1.00 30.54 N ATOM 0 H GLN A 134 9.745 -15.632 -3.893 1.00 14.35 H new ATOM 0 HA GLN A 134 8.187 -15.188 -1.581 1.00 34.14 H new ATOM 0 HB2 GLN A 134 10.203 -13.884 -2.211 1.00 74.22 H new ATOM 0 HB3 GLN A 134 9.388 -13.270 -3.635 1.00 74.22 H new ATOM 0 HG2 GLN A 134 9.305 -11.484 -2.103 1.00 51.04 H new ATOM 0 HG3 GLN A 134 7.694 -12.172 -2.050 1.00 51.04 H new ATOM 0 HE21 GLN A 134 9.100 -10.486 -0.118 1.00 30.54 H new ATOM 0 HE22 GLN A 134 9.119 -11.385 1.403 1.00 30.54 H new ATOM 2085 N MET A 135 6.812 -14.072 -4.439 1.00 42.24 N ATOM 2086 CA MET A 135 5.551 -13.576 -5.055 1.00 54.13 C ATOM 2087 C MET A 135 4.474 -14.684 -5.184 1.00 30.23 C ATOM 2088 O MET A 135 3.271 -14.384 -5.184 1.00 42.53 O ATOM 2089 CB MET A 135 5.828 -12.890 -6.415 1.00 62.34 C ATOM 2090 CG MET A 135 6.225 -13.783 -7.597 1.00 31.31 C ATOM 2091 SD MET A 135 6.816 -12.816 -9.009 1.00 32.24 S ATOM 2092 CE MET A 135 5.495 -11.618 -9.261 1.00 34.51 C ATOM 0 H MET A 135 7.601 -14.107 -5.084 1.00 42.24 H new ATOM 0 HA MET A 135 5.141 -12.828 -4.377 1.00 54.13 H new ATOM 0 HB2 MET A 135 4.933 -12.336 -6.699 1.00 62.34 H new ATOM 0 HB3 MET A 135 6.622 -12.159 -6.266 1.00 62.34 H new ATOM 0 HG2 MET A 135 7.004 -14.477 -7.281 1.00 31.31 H new ATOM 0 HG3 MET A 135 5.368 -14.383 -7.902 1.00 31.31 H new ATOM 0 HE1 MET A 135 5.785 -10.915 -10.042 1.00 34.51 H new ATOM 0 HE2 MET A 135 4.585 -12.138 -9.560 1.00 34.51 H new ATOM 0 HE3 MET A 135 5.314 -11.075 -8.333 1.00 34.51 H new ATOM 2102 N GLN A 136 4.923 -15.954 -5.307 1.00 21.53 N ATOM 2103 CA GLN A 136 4.024 -17.136 -5.262 1.00 63.42 C ATOM 2104 C GLN A 136 3.358 -17.251 -3.861 1.00 1.43 C ATOM 2105 O GLN A 136 2.138 -17.403 -3.752 1.00 0.11 O ATOM 2106 CB GLN A 136 4.815 -18.443 -5.579 1.00 62.33 C ATOM 2107 CG GLN A 136 5.480 -18.522 -6.976 1.00 4.42 C ATOM 2108 CD GLN A 136 4.502 -18.464 -8.155 1.00 54.22 C ATOM 2109 OE1 GLN A 136 3.982 -19.481 -8.601 1.00 75.41 O ATOM 2110 NE2 GLN A 136 4.266 -17.276 -8.683 1.00 3.41 N ATOM 0 H GLN A 136 5.907 -16.190 -5.439 1.00 21.53 H new ATOM 0 HA GLN A 136 3.249 -17.005 -6.018 1.00 63.42 H new ATOM 0 HB2 GLN A 136 5.591 -18.565 -4.823 1.00 62.33 H new ATOM 0 HB3 GLN A 136 4.134 -19.288 -5.476 1.00 62.33 H new ATOM 0 HG2 GLN A 136 6.192 -17.702 -7.071 1.00 4.42 H new ATOM 0 HG3 GLN A 136 6.050 -19.449 -7.040 1.00 4.42 H new ATOM 0 HE21 GLN A 136 4.712 -16.446 -8.292 1.00 3.41 H new ATOM 0 HE22 GLN A 136 3.638 -17.189 -9.482 1.00 3.41 H new ATOM 2119 N LYS A 137 4.195 -17.137 -2.806 1.00 51.13 N ATOM 2120 CA LYS A 137 3.775 -17.219 -1.386 1.00 44.23 C ATOM 2121 C LYS A 137 2.790 -16.068 -1.042 1.00 34.32 C ATOM 2122 O LYS A 137 1.776 -16.286 -0.371 1.00 34.42 O ATOM 2123 CB LYS A 137 5.058 -17.173 -0.478 1.00 53.24 C ATOM 2124 CG LYS A 137 4.959 -17.887 0.892 1.00 35.44 C ATOM 2125 CD LYS A 137 3.925 -17.273 1.854 1.00 44.51 C ATOM 2126 CE LYS A 137 3.885 -17.986 3.205 1.00 24.42 C ATOM 2127 NZ LYS A 137 3.487 -19.413 3.081 1.00 70.21 N ATOM 0 H LYS A 137 5.197 -16.983 -2.917 1.00 51.13 H new ATOM 0 HA LYS A 137 3.247 -18.156 -1.206 1.00 44.23 H new ATOM 0 HB2 LYS A 137 5.886 -17.614 -1.034 1.00 53.24 H new ATOM 0 HB3 LYS A 137 5.314 -16.128 -0.301 1.00 53.24 H new ATOM 0 HG2 LYS A 137 4.706 -18.934 0.725 1.00 35.44 H new ATOM 0 HG3 LYS A 137 5.938 -17.868 1.370 1.00 35.44 H new ATOM 0 HD2 LYS A 137 4.159 -16.220 2.010 1.00 44.51 H new ATOM 0 HD3 LYS A 137 2.937 -17.315 1.395 1.00 44.51 H new ATOM 0 HE2 LYS A 137 4.867 -17.925 3.674 1.00 24.42 H new ATOM 0 HE3 LYS A 137 3.185 -17.472 3.863 1.00 24.42 H new ATOM 0 HZ1 LYS A 137 3.343 -19.817 4.029 1.00 70.21 H new ATOM 0 HZ2 LYS A 137 2.603 -19.481 2.537 1.00 70.21 H new ATOM 0 HZ3 LYS A 137 4.237 -19.941 2.590 1.00 70.21 H new ATOM 2141 N MET A 138 3.113 -14.858 -1.523 1.00 63.24 N ATOM 2142 CA MET A 138 2.268 -13.652 -1.360 1.00 72.03 C ATOM 2143 C MET A 138 0.849 -13.875 -1.937 1.00 61.10 C ATOM 2144 O MET A 138 -0.152 -13.508 -1.319 1.00 25.20 O ATOM 2145 CB MET A 138 2.947 -12.433 -2.049 1.00 23.44 C ATOM 2146 CG MET A 138 4.331 -12.020 -1.481 1.00 1.24 C ATOM 2147 SD MET A 138 4.266 -10.755 -0.183 1.00 60.11 S ATOM 2148 CE MET A 138 3.609 -11.639 1.227 1.00 12.41 C ATOM 0 H MET A 138 3.974 -14.681 -2.041 1.00 63.24 H new ATOM 0 HA MET A 138 2.164 -13.451 -0.294 1.00 72.03 H new ATOM 0 HB2 MET A 138 3.063 -12.657 -3.109 1.00 23.44 H new ATOM 0 HB3 MET A 138 2.275 -11.578 -1.976 1.00 23.44 H new ATOM 0 HG2 MET A 138 4.825 -12.906 -1.082 1.00 1.24 H new ATOM 0 HG3 MET A 138 4.950 -11.651 -2.299 1.00 1.24 H new ATOM 0 HE1 MET A 138 3.820 -11.079 2.138 1.00 12.41 H new ATOM 0 HE2 MET A 138 2.531 -11.755 1.114 1.00 12.41 H new ATOM 0 HE3 MET A 138 4.075 -12.622 1.289 1.00 12.41 H new ATOM 2158 N ALA A 139 0.791 -14.504 -3.121 1.00 34.22 N ATOM 2159 CA ALA A 139 -0.478 -14.862 -3.790 1.00 21.20 C ATOM 2160 C ALA A 139 -1.288 -15.918 -2.994 1.00 72.54 C ATOM 2161 O ALA A 139 -2.521 -15.868 -2.977 1.00 23.54 O ATOM 2162 CB ALA A 139 -0.199 -15.347 -5.214 1.00 13.12 C ATOM 0 H ALA A 139 1.621 -14.781 -3.645 1.00 34.22 H new ATOM 0 HA ALA A 139 -1.094 -13.964 -3.832 1.00 21.20 H new ATOM 0 HB1 ALA A 139 -1.139 -15.609 -5.700 1.00 13.12 H new ATOM 0 HB2 ALA A 139 0.293 -14.555 -5.778 1.00 13.12 H new ATOM 0 HB3 ALA A 139 0.448 -16.224 -5.180 1.00 13.12 H new ATOM 2168 N GLU A 140 -0.587 -16.870 -2.343 1.00 62.11 N ATOM 2169 CA GLU A 140 -1.223 -17.868 -1.433 1.00 63.12 C ATOM 2170 C GLU A 140 -1.854 -17.187 -0.198 1.00 71.00 C ATOM 2171 O GLU A 140 -2.883 -17.635 0.315 1.00 35.13 O ATOM 2172 CB GLU A 140 -0.187 -18.924 -0.969 1.00 11.34 C ATOM 2173 CG GLU A 140 0.484 -19.716 -2.105 1.00 1.11 C ATOM 2174 CD GLU A 140 -0.506 -20.449 -3.025 1.00 52.02 C ATOM 2175 OE1 GLU A 140 -1.075 -21.479 -2.608 1.00 4.33 O ATOM 2176 OE2 GLU A 140 -0.721 -20.002 -4.171 1.00 31.40 O ATOM 0 H GLU A 140 0.424 -16.975 -2.426 1.00 62.11 H new ATOM 0 HA GLU A 140 -2.014 -18.362 -1.997 1.00 63.12 H new ATOM 0 HB2 GLU A 140 0.587 -18.422 -0.389 1.00 11.34 H new ATOM 0 HB3 GLU A 140 -0.682 -19.627 -0.299 1.00 11.34 H new ATOM 0 HG2 GLU A 140 1.084 -19.032 -2.705 1.00 1.11 H new ATOM 0 HG3 GLU A 140 1.169 -20.445 -1.671 1.00 1.11 H new ATOM 2183 N MET A 141 -1.202 -16.109 0.266 1.00 71.23 N ATOM 2184 CA MET A 141 -1.713 -15.236 1.350 1.00 33.12 C ATOM 2185 C MET A 141 -2.871 -14.332 0.860 1.00 63.14 C ATOM 2186 O MET A 141 -3.611 -13.767 1.674 1.00 63.53 O ATOM 2187 CB MET A 141 -0.550 -14.359 1.887 1.00 41.32 C ATOM 2188 CG MET A 141 0.542 -15.150 2.615 1.00 32.22 C ATOM 2189 SD MET A 141 -0.051 -15.898 4.149 1.00 63.41 S ATOM 2190 CE MET A 141 -0.544 -14.448 5.094 1.00 31.14 C ATOM 0 H MET A 141 -0.298 -15.811 -0.100 1.00 71.23 H new ATOM 0 HA MET A 141 -2.105 -15.870 2.145 1.00 33.12 H new ATOM 0 HB2 MET A 141 -0.100 -13.821 1.053 1.00 41.32 H new ATOM 0 HB3 MET A 141 -0.957 -13.611 2.567 1.00 41.32 H new ATOM 0 HG2 MET A 141 0.920 -15.932 1.956 1.00 32.22 H new ATOM 0 HG3 MET A 141 1.379 -14.488 2.837 1.00 32.22 H new ATOM 0 HE1 MET A 141 -0.589 -14.702 6.153 1.00 31.14 H new ATOM 0 HE2 MET A 141 0.183 -13.650 4.943 1.00 31.14 H new ATOM 0 HE3 MET A 141 -1.525 -14.112 4.759 1.00 31.14 H new ATOM 2200 N GLY A 142 -3.006 -14.204 -0.470 1.00 24.24 N ATOM 2201 CA GLY A 142 -4.015 -13.340 -1.083 1.00 3.51 C ATOM 2202 C GLY A 142 -3.596 -11.873 -1.078 1.00 30.02 C ATOM 2203 O GLY A 142 -4.340 -11.021 -0.607 1.00 34.53 O ATOM 0 H GLY A 142 -2.419 -14.696 -1.144 1.00 24.24 H new ATOM 0 HA2 GLY A 142 -4.192 -13.662 -2.109 1.00 3.51 H new ATOM 0 HA3 GLY A 142 -4.958 -13.449 -0.547 1.00 3.51 H new ATOM 2207 N MET A 143 -2.377 -11.592 -1.577 1.00 60.10 N ATOM 2208 CA MET A 143 -1.815 -10.218 -1.622 1.00 21.12 C ATOM 2209 C MET A 143 -2.474 -9.351 -2.718 1.00 64.01 C ATOM 2210 O MET A 143 -2.648 -8.142 -2.528 1.00 51.54 O ATOM 2211 CB MET A 143 -0.281 -10.258 -1.837 1.00 24.41 C ATOM 2212 CG MET A 143 0.420 -8.901 -1.669 1.00 44.41 C ATOM 2213 SD MET A 143 2.199 -8.990 -1.935 1.00 52.52 S ATOM 2214 CE MET A 143 2.723 -7.360 -1.405 1.00 12.21 C ATOM 0 H MET A 143 -1.753 -12.303 -1.959 1.00 60.10 H new ATOM 0 HA MET A 143 -2.033 -9.758 -0.658 1.00 21.12 H new ATOM 0 HB2 MET A 143 0.154 -10.967 -1.133 1.00 24.41 H new ATOM 0 HB3 MET A 143 -0.077 -10.637 -2.838 1.00 24.41 H new ATOM 0 HG2 MET A 143 -0.011 -8.186 -2.370 1.00 44.41 H new ATOM 0 HG3 MET A 143 0.227 -8.520 -0.666 1.00 44.41 H new ATOM 0 HE1 MET A 143 3.532 -7.011 -2.047 1.00 12.21 H new ATOM 0 HE2 MET A 143 1.883 -6.668 -1.472 1.00 12.21 H new ATOM 0 HE3 MET A 143 3.073 -7.408 -0.374 1.00 12.21 H new ATOM 2224 N GLU A 144 -2.831 -9.980 -3.860 1.00 31.31 N ATOM 2225 CA GLU A 144 -3.491 -9.275 -4.985 1.00 30.52 C ATOM 2226 C GLU A 144 -4.815 -8.629 -4.527 1.00 2.22 C ATOM 2227 O GLU A 144 -5.023 -7.427 -4.698 1.00 13.44 O ATOM 2228 CB GLU A 144 -3.735 -10.219 -6.201 1.00 64.15 C ATOM 2229 CG GLU A 144 -2.475 -10.599 -7.005 1.00 65.13 C ATOM 2230 CD GLU A 144 -1.504 -11.522 -6.255 1.00 10.14 C ATOM 2231 OE1 GLU A 144 -1.718 -12.746 -6.279 1.00 55.34 O ATOM 2232 OE2 GLU A 144 -0.521 -11.034 -5.643 1.00 55.31 O ATOM 0 H GLU A 144 -2.674 -10.974 -4.028 1.00 31.31 H new ATOM 0 HA GLU A 144 -2.813 -8.487 -5.313 1.00 30.52 H new ATOM 0 HB2 GLU A 144 -4.205 -11.134 -5.841 1.00 64.15 H new ATOM 0 HB3 GLU A 144 -4.445 -9.740 -6.875 1.00 64.15 H new ATOM 0 HG2 GLU A 144 -2.782 -11.087 -7.930 1.00 65.13 H new ATOM 0 HG3 GLU A 144 -1.948 -9.687 -7.286 1.00 65.13 H new ATOM 2239 N GLU A 145 -5.675 -9.451 -3.910 1.00 52.44 N ATOM 2240 CA GLU A 145 -6.939 -8.996 -3.292 1.00 72.31 C ATOM 2241 C GLU A 145 -6.686 -8.223 -1.971 1.00 10.51 C ATOM 2242 O GLU A 145 -7.420 -7.293 -1.640 1.00 64.04 O ATOM 2243 CB GLU A 145 -7.853 -10.216 -3.027 1.00 74.34 C ATOM 2244 CG GLU A 145 -8.267 -10.988 -4.297 1.00 31.34 C ATOM 2245 CD GLU A 145 -9.200 -10.182 -5.218 1.00 52.04 C ATOM 2246 OE1 GLU A 145 -10.411 -10.109 -4.919 1.00 12.14 O ATOM 2247 OE2 GLU A 145 -8.736 -9.621 -6.232 1.00 2.43 O ATOM 0 H GLU A 145 -5.518 -10.455 -3.822 1.00 52.44 H new ATOM 0 HA GLU A 145 -7.428 -8.311 -3.985 1.00 72.31 H new ATOM 0 HB2 GLU A 145 -7.339 -10.900 -2.352 1.00 74.34 H new ATOM 0 HB3 GLU A 145 -8.752 -9.876 -2.513 1.00 74.34 H new ATOM 0 HG2 GLU A 145 -7.372 -11.268 -4.852 1.00 31.34 H new ATOM 0 HG3 GLU A 145 -8.764 -11.913 -4.006 1.00 31.34 H new ATOM 2254 N GLY A 146 -5.624 -8.621 -1.244 1.00 51.23 N ATOM 2255 CA GLY A 146 -5.255 -8.013 0.052 1.00 4.12 C ATOM 2256 C GLY A 146 -4.828 -6.547 -0.040 1.00 13.25 C ATOM 2257 O GLY A 146 -4.888 -5.818 0.952 1.00 20.11 O ATOM 0 H GLY A 146 -4.998 -9.371 -1.537 1.00 51.23 H new ATOM 0 HA2 GLY A 146 -6.104 -8.090 0.731 1.00 4.12 H new ATOM 0 HA3 GLY A 146 -4.441 -8.589 0.492 1.00 4.12 H new ATOM 2261 N MET A 147 -4.310 -6.140 -1.206 1.00 11.22 N ATOM 2262 CA MET A 147 -4.140 -4.717 -1.556 1.00 53.01 C ATOM 2263 C MET A 147 -5.439 -4.147 -2.184 1.00 61.44 C ATOM 2264 O MET A 147 -5.945 -3.117 -1.745 1.00 65.12 O ATOM 2265 CB MET A 147 -2.943 -4.521 -2.519 1.00 75.31 C ATOM 2266 CG MET A 147 -1.578 -4.912 -1.933 1.00 61.20 C ATOM 2267 SD MET A 147 -0.198 -4.483 -3.019 1.00 33.10 S ATOM 2268 CE MET A 147 -0.313 -2.692 -3.066 1.00 2.30 C ATOM 0 H MET A 147 -3.997 -6.783 -1.934 1.00 11.22 H new ATOM 0 HA MET A 147 -3.931 -4.169 -0.637 1.00 53.01 H new ATOM 0 HB2 MET A 147 -3.119 -5.109 -3.420 1.00 75.31 H new ATOM 0 HB3 MET A 147 -2.906 -3.475 -2.823 1.00 75.31 H new ATOM 0 HG2 MET A 147 -1.445 -4.416 -0.972 1.00 61.20 H new ATOM 0 HG3 MET A 147 -1.564 -5.985 -1.742 1.00 61.20 H new ATOM 0 HE1 MET A 147 -0.415 -2.361 -4.100 1.00 2.30 H new ATOM 0 HE2 MET A 147 -1.183 -2.368 -2.494 1.00 2.30 H new ATOM 0 HE3 MET A 147 0.588 -2.258 -2.633 1.00 2.30 H new ATOM 2278 N ARG A 148 -5.974 -4.863 -3.192 1.00 52.24 N ATOM 2279 CA ARG A 148 -7.065 -4.378 -4.084 1.00 73.14 C ATOM 2280 C ARG A 148 -8.340 -3.918 -3.333 1.00 21.21 C ATOM 2281 O ARG A 148 -8.905 -2.875 -3.667 1.00 53.22 O ATOM 2282 CB ARG A 148 -7.425 -5.491 -5.093 1.00 4.10 C ATOM 2283 CG ARG A 148 -8.582 -5.156 -6.053 1.00 1.55 C ATOM 2284 CD ARG A 148 -8.937 -6.331 -6.966 1.00 44.42 C ATOM 2285 NE ARG A 148 -10.167 -6.079 -7.720 1.00 73.05 N ATOM 2286 CZ ARG A 148 -11.084 -6.970 -8.012 1.00 24.30 C ATOM 2287 NH1 ARG A 148 -10.955 -8.209 -7.651 1.00 31.51 N ATOM 2288 NH2 ARG A 148 -12.135 -6.601 -8.647 1.00 33.25 N ATOM 0 H ARG A 148 -5.662 -5.807 -3.419 1.00 52.24 H new ATOM 0 HA ARG A 148 -6.682 -3.493 -4.592 1.00 73.14 H new ATOM 0 HB2 ARG A 148 -6.539 -5.724 -5.684 1.00 4.10 H new ATOM 0 HB3 ARG A 148 -7.684 -6.393 -4.538 1.00 4.10 H new ATOM 0 HG2 ARG A 148 -9.460 -4.870 -5.474 1.00 1.55 H new ATOM 0 HG3 ARG A 148 -8.308 -4.295 -6.663 1.00 1.55 H new ATOM 0 HD2 ARG A 148 -8.116 -6.514 -7.659 1.00 44.42 H new ATOM 0 HD3 ARG A 148 -9.056 -7.234 -6.367 1.00 44.42 H new ATOM 0 HE ARG A 148 -10.324 -5.126 -8.047 1.00 73.05 H new ATOM 0 HH11 ARG A 148 -10.129 -8.505 -7.130 1.00 31.51 H new ATOM 0 HH12 ARG A 148 -11.679 -8.887 -7.888 1.00 31.51 H new ATOM 0 HH21 ARG A 148 -12.250 -5.625 -8.919 1.00 33.25 H new ATOM 0 HH22 ARG A 148 -12.856 -7.284 -8.880 1.00 33.25 H new ATOM 2302 N GLU A 149 -8.784 -4.702 -2.333 1.00 2.34 N ATOM 2303 CA GLU A 149 -9.981 -4.372 -1.509 1.00 10.15 C ATOM 2304 C GLU A 149 -9.822 -3.014 -0.786 1.00 32.45 C ATOM 2305 O GLU A 149 -10.763 -2.215 -0.709 1.00 2.40 O ATOM 2306 CB GLU A 149 -10.249 -5.503 -0.479 1.00 60.50 C ATOM 2307 CG GLU A 149 -10.615 -6.871 -1.091 1.00 2.13 C ATOM 2308 CD GLU A 149 -11.985 -6.876 -1.795 1.00 40.53 C ATOM 2309 OE1 GLU A 149 -13.005 -7.134 -1.121 1.00 3.01 O ATOM 2310 OE2 GLU A 149 -12.054 -6.621 -3.018 1.00 43.31 O ATOM 0 H GLU A 149 -8.333 -5.578 -2.068 1.00 2.34 H new ATOM 0 HA GLU A 149 -10.835 -4.289 -2.181 1.00 10.15 H new ATOM 0 HB2 GLU A 149 -9.362 -5.626 0.142 1.00 60.50 H new ATOM 0 HB3 GLU A 149 -11.058 -5.189 0.180 1.00 60.50 H new ATOM 0 HG2 GLU A 149 -9.845 -7.159 -1.807 1.00 2.13 H new ATOM 0 HG3 GLU A 149 -10.616 -7.625 -0.304 1.00 2.13 H new ATOM 2317 N ALA A 150 -8.605 -2.780 -0.272 1.00 20.50 N ATOM 2318 CA ALA A 150 -8.204 -1.507 0.361 1.00 34.22 C ATOM 2319 C ALA A 150 -8.168 -0.348 -0.665 1.00 34.30 C ATOM 2320 O ALA A 150 -8.624 0.767 -0.389 1.00 24.24 O ATOM 2321 CB ALA A 150 -6.821 -1.682 1.018 1.00 40.35 C ATOM 0 H ALA A 150 -7.860 -3.476 -0.283 1.00 20.50 H new ATOM 0 HA ALA A 150 -8.944 -1.249 1.119 1.00 34.22 H new ATOM 0 HB1 ALA A 150 -6.520 -0.745 1.487 1.00 40.35 H new ATOM 0 HB2 ALA A 150 -6.874 -2.466 1.774 1.00 40.35 H new ATOM 0 HB3 ALA A 150 -6.090 -1.959 0.259 1.00 40.35 H new ATOM 2327 N ILE A 151 -7.636 -0.645 -1.863 1.00 32.11 N ATOM 2328 CA ILE A 151 -7.411 0.355 -2.929 1.00 21.31 C ATOM 2329 C ILE A 151 -8.733 0.754 -3.655 1.00 31.50 C ATOM 2330 O ILE A 151 -8.852 1.863 -4.180 1.00 35.31 O ATOM 2331 CB ILE A 151 -6.304 -0.163 -3.932 1.00 11.44 C ATOM 2332 CG1 ILE A 151 -4.969 -0.446 -3.158 1.00 4.41 C ATOM 2333 CG2 ILE A 151 -6.053 0.832 -5.094 1.00 22.04 C ATOM 2334 CD1 ILE A 151 -3.871 -1.095 -3.982 1.00 42.55 C ATOM 0 H ILE A 151 -7.348 -1.588 -2.123 1.00 32.11 H new ATOM 0 HA ILE A 151 -7.045 1.271 -2.465 1.00 21.31 H new ATOM 0 HB ILE A 151 -6.671 -1.089 -4.376 1.00 11.44 H new ATOM 0 HG12 ILE A 151 -4.593 0.495 -2.758 1.00 4.41 H new ATOM 0 HG13 ILE A 151 -5.191 -1.089 -2.306 1.00 4.41 H new ATOM 0 HG21 ILE A 151 -5.285 0.432 -5.756 1.00 22.04 H new ATOM 0 HG22 ILE A 151 -6.976 0.976 -5.655 1.00 22.04 H new ATOM 0 HG23 ILE A 151 -5.721 1.788 -4.689 1.00 22.04 H new ATOM 0 HD11 ILE A 151 -2.991 -1.249 -3.358 1.00 42.55 H new ATOM 0 HD12 ILE A 151 -4.220 -2.056 -4.361 1.00 42.55 H new ATOM 0 HD13 ILE A 151 -3.613 -0.447 -4.819 1.00 42.55 H new ATOM 2346 N GLU A 152 -9.738 -0.136 -3.645 1.00 5.13 N ATOM 2347 CA GLU A 152 -11.108 0.203 -4.107 1.00 53.34 C ATOM 2348 C GLU A 152 -11.874 0.988 -3.023 1.00 15.54 C ATOM 2349 O GLU A 152 -12.791 1.755 -3.329 1.00 52.31 O ATOM 2350 CB GLU A 152 -11.895 -1.067 -4.524 1.00 13.13 C ATOM 2351 CG GLU A 152 -11.376 -1.717 -5.825 1.00 35.21 C ATOM 2352 CD GLU A 152 -12.264 -2.825 -6.401 1.00 31.25 C ATOM 2353 OE1 GLU A 152 -13.504 -2.694 -6.358 1.00 70.23 O ATOM 2354 OE2 GLU A 152 -11.728 -3.802 -6.956 1.00 31.41 O ATOM 0 H GLU A 152 -9.635 -1.098 -3.323 1.00 5.13 H new ATOM 0 HA GLU A 152 -11.012 0.838 -4.987 1.00 53.34 H new ATOM 0 HB2 GLU A 152 -11.843 -1.798 -3.717 1.00 13.13 H new ATOM 0 HB3 GLU A 152 -12.946 -0.807 -4.652 1.00 13.13 H new ATOM 0 HG2 GLU A 152 -11.259 -0.939 -6.579 1.00 35.21 H new ATOM 0 HG3 GLU A 152 -10.385 -2.129 -5.636 1.00 35.21 H new ATOM 2361 N GLN A 153 -11.464 0.811 -1.755 1.00 72.41 N ATOM 2362 CA GLN A 153 -12.069 1.514 -0.607 1.00 10.23 C ATOM 2363 C GLN A 153 -11.516 2.967 -0.507 1.00 3.03 C ATOM 2364 O GLN A 153 -12.110 3.815 0.162 1.00 40.12 O ATOM 2365 CB GLN A 153 -11.818 0.697 0.690 1.00 3.14 C ATOM 2366 CG GLN A 153 -12.734 1.060 1.878 1.00 20.21 C ATOM 2367 CD GLN A 153 -12.574 0.098 3.058 1.00 0.12 C ATOM 2368 OE1 GLN A 153 -11.711 0.427 3.986 1.00 31.42 O flip ATOM 2369 NE2 GLN A 153 -13.240 -0.931 3.139 1.00 71.23 N flip ATOM 0 H GLN A 153 -10.706 0.179 -1.496 1.00 72.41 H new ATOM 0 HA GLN A 153 -13.147 1.595 -0.748 1.00 10.23 H new ATOM 0 HB2 GLN A 153 -11.944 -0.362 0.464 1.00 3.14 H new ATOM 0 HB3 GLN A 153 -10.781 0.837 0.995 1.00 3.14 H new ATOM 0 HG2 GLN A 153 -12.511 2.075 2.208 1.00 20.21 H new ATOM 0 HG3 GLN A 153 -13.772 1.054 1.547 1.00 20.21 H new ATOM 0 HE21 GLN A 153 -13.906 -1.166 2.403 1.00 71.23 H new ATOM 0 HE22 GLN A 153 -13.127 -1.550 3.942 1.00 71.23 H new ATOM 2378 N ILE A 154 -10.381 3.239 -1.209 1.00 71.12 N ATOM 2379 CA ILE A 154 -9.838 4.616 -1.405 1.00 44.00 C ATOM 2380 C ILE A 154 -10.873 5.540 -2.085 1.00 23.15 C ATOM 2381 O ILE A 154 -10.956 6.735 -1.770 1.00 31.23 O ATOM 2382 CB ILE A 154 -8.522 4.611 -2.271 1.00 43.10 C ATOM 2383 CG1 ILE A 154 -7.393 3.831 -1.547 1.00 52.11 C ATOM 2384 CG2 ILE A 154 -8.053 6.048 -2.643 1.00 74.30 C ATOM 2385 CD1 ILE A 154 -6.098 3.715 -2.332 1.00 33.24 C ATOM 0 H ILE A 154 -9.818 2.514 -1.654 1.00 71.12 H new ATOM 0 HA ILE A 154 -9.608 4.996 -0.409 1.00 44.00 H new ATOM 0 HB ILE A 154 -8.755 4.102 -3.206 1.00 43.10 H new ATOM 0 HG12 ILE A 154 -7.183 4.321 -0.596 1.00 52.11 H new ATOM 0 HG13 ILE A 154 -7.753 2.828 -1.316 1.00 52.11 H new ATOM 0 HG21 ILE A 154 -7.143 5.991 -3.240 1.00 74.30 H new ATOM 0 HG22 ILE A 154 -8.833 6.548 -3.218 1.00 74.30 H new ATOM 0 HG23 ILE A 154 -7.855 6.613 -1.732 1.00 74.30 H new ATOM 0 HD11 ILE A 154 -5.368 3.155 -1.748 1.00 33.24 H new ATOM 0 HD12 ILE A 154 -6.287 3.195 -3.271 1.00 33.24 H new ATOM 0 HD13 ILE A 154 -5.708 4.711 -2.541 1.00 33.24 H new ATOM 2397 N ASP A 155 -11.649 4.966 -3.020 1.00 73.40 N ATOM 2398 CA ASP A 155 -12.745 5.675 -3.717 1.00 11.10 C ATOM 2399 C ASP A 155 -13.756 6.256 -2.693 1.00 55.03 C ATOM 2400 O ASP A 155 -14.242 7.365 -2.853 1.00 1.41 O ATOM 2401 CB ASP A 155 -13.456 4.712 -4.730 1.00 45.44 C ATOM 2402 CG ASP A 155 -13.490 5.270 -6.160 1.00 21.41 C ATOM 2403 OD1 ASP A 155 -14.363 6.112 -6.457 1.00 33.13 O ATOM 2404 OD2 ASP A 155 -12.648 4.871 -6.991 1.00 61.23 O ATOM 0 H ASP A 155 -11.537 3.997 -3.317 1.00 73.40 H new ATOM 0 HA ASP A 155 -12.323 6.508 -4.279 1.00 11.10 H new ATOM 0 HB2 ASP A 155 -12.942 3.751 -4.732 1.00 45.44 H new ATOM 0 HB3 ASP A 155 -14.476 4.527 -4.393 1.00 45.44 H new ATOM 2409 N ALA A 156 -14.018 5.487 -1.628 1.00 11.05 N ATOM 2410 CA ALA A 156 -14.891 5.898 -0.501 1.00 21.22 C ATOM 2411 C ALA A 156 -14.195 6.904 0.456 1.00 12.14 C ATOM 2412 O ALA A 156 -14.866 7.658 1.144 1.00 25.14 O ATOM 2413 CB ALA A 156 -15.373 4.654 0.271 1.00 63.12 C ATOM 0 H ALA A 156 -13.630 4.551 -1.516 1.00 11.05 H new ATOM 0 HA ALA A 156 -15.751 6.416 -0.926 1.00 21.22 H new ATOM 0 HB1 ALA A 156 -16.013 4.964 1.097 1.00 63.12 H new ATOM 0 HB2 ALA A 156 -15.935 4.004 -0.400 1.00 63.12 H new ATOM 0 HB3 ALA A 156 -14.512 4.113 0.663 1.00 63.12 H new ATOM 2419 N VAL A 157 -12.858 6.841 0.551 1.00 35.12 N ATOM 2420 CA VAL A 157 -12.059 7.768 1.405 1.00 32.43 C ATOM 2421 C VAL A 157 -12.092 9.217 0.845 1.00 23.22 C ATOM 2422 O VAL A 157 -12.332 10.183 1.585 1.00 71.52 O ATOM 2423 CB VAL A 157 -10.567 7.266 1.520 1.00 52.14 C ATOM 2424 CG1 VAL A 157 -9.663 8.256 2.304 1.00 22.15 C ATOM 2425 CG2 VAL A 157 -10.518 5.860 2.157 1.00 33.22 C ATOM 0 H VAL A 157 -12.293 6.157 0.048 1.00 35.12 H new ATOM 0 HA VAL A 157 -12.508 7.776 2.398 1.00 32.43 H new ATOM 0 HB VAL A 157 -10.169 7.212 0.507 1.00 52.14 H new ATOM 0 HG11 VAL A 157 -8.648 7.861 2.353 1.00 22.15 H new ATOM 0 HG12 VAL A 157 -9.653 9.220 1.796 1.00 22.15 H new ATOM 0 HG13 VAL A 157 -10.052 8.382 3.314 1.00 22.15 H new ATOM 0 HG21 VAL A 157 -9.482 5.529 2.229 1.00 33.22 H new ATOM 0 HG22 VAL A 157 -10.957 5.897 3.154 1.00 33.22 H new ATOM 0 HG23 VAL A 157 -11.080 5.161 1.538 1.00 33.22 H new ATOM 2435 N LEU A 158 -11.863 9.331 -0.472 1.00 63.11 N ATOM 2436 CA LEU A 158 -11.795 10.626 -1.193 1.00 4.44 C ATOM 2437 C LEU A 158 -13.210 11.172 -1.484 1.00 31.10 C ATOM 2438 O LEU A 158 -13.506 12.349 -1.245 1.00 14.30 O ATOM 2439 CB LEU A 158 -11.018 10.432 -2.523 1.00 23.31 C ATOM 2440 CG LEU A 158 -9.602 9.787 -2.384 1.00 71.10 C ATOM 2441 CD1 LEU A 158 -8.930 9.595 -3.752 1.00 31.24 C ATOM 2442 CD2 LEU A 158 -8.707 10.603 -1.434 1.00 64.30 C ATOM 0 H LEU A 158 -11.718 8.524 -1.078 1.00 63.11 H new ATOM 0 HA LEU A 158 -11.276 11.350 -0.565 1.00 4.44 H new ATOM 0 HB2 LEU A 158 -11.618 9.810 -3.187 1.00 23.31 H new ATOM 0 HB3 LEU A 158 -10.910 11.403 -3.006 1.00 23.31 H new ATOM 0 HG LEU A 158 -9.738 8.798 -1.946 1.00 71.10 H new ATOM 0 HD11 LEU A 158 -7.947 9.144 -3.615 1.00 31.24 H new ATOM 0 HD12 LEU A 158 -9.545 8.942 -4.371 1.00 31.24 H new ATOM 0 HD13 LEU A 158 -8.820 10.562 -4.242 1.00 31.24 H new ATOM 0 HD21 LEU A 158 -7.729 10.128 -1.358 1.00 64.30 H new ATOM 0 HD22 LEU A 158 -8.590 11.615 -1.823 1.00 64.30 H new ATOM 0 HD23 LEU A 158 -9.167 10.645 -0.447 1.00 64.30 H new ATOM 2454 N SER A 159 -14.073 10.283 -2.006 1.00 74.41 N ATOM 2455 CA SER A 159 -15.448 10.618 -2.454 1.00 34.10 C ATOM 2456 C SER A 159 -16.478 10.279 -1.349 1.00 50.11 C ATOM 2457 O SER A 159 -17.581 9.816 -1.655 1.00 25.31 O ATOM 2458 CB SER A 159 -15.764 9.800 -3.743 1.00 52.11 C ATOM 2459 OG SER A 159 -16.752 10.427 -4.549 1.00 44.30 O ATOM 0 H SER A 159 -13.838 9.298 -2.133 1.00 74.41 H new ATOM 0 HA SER A 159 -15.512 11.686 -2.662 1.00 34.10 H new ATOM 0 HB2 SER A 159 -14.850 9.674 -4.324 1.00 52.11 H new ATOM 0 HB3 SER A 159 -16.105 8.803 -3.464 1.00 52.11 H new ATOM 0 HG SER A 159 -16.918 9.882 -5.346 1.00 44.30 H new