USER MOD reduce.3.24.130724 H: found=0, std=0, add=1027, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1027 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 105 ASN : amide:sc= 2.17 K(o=3.4,f=-4.8!) USER MOD Set 1.2: A 110 THR OG1 : rot 71:sc= 1.2 USER MOD Set 2.1: A 73 THR OG1 : rot -77:sc= 2.08 USER MOD Set 2.2: A 75 THR OG1 : rot -75:sc= 1.37 USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 60 HIS : no HD1:sc=-0.000603 X(o=-0.0006,f=-0.27) USER MOD Set 4.1: A 30 GLN : amide:sc= -1.91! K(o=-0.74!,f=-6.8) USER MOD Set 4.2: A 33 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0) USER MOD Set 5.1: A 8 GLN :FLIP amide:sc= 0.278 F(o=-1.4,f=-0.74) USER MOD Set 5.2: A 10 GLN :FLIP amide:sc= -1.01 X(o=-1,f=-0.74) USER MOD Set 6.1: A 1 MET N :NH3+ -170:sc= -0.161 (180deg=-0.371) USER MOD Set 6.2: A 2 ASN : amide:sc= -0.0549 K(o=-0.22,f=-5.8!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0645 (180deg=-0.434) USER MOD Single : A 4 SER OG : rot 3:sc= 1.11 USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0107) USER MOD Single : A 7 TYR OH : rot -106:sc= 0.749 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -6.08! C(o=-6.1!,f=-7.6!) USER MOD Single : A 14 ASN : amide:sc= -0.336 K(o=-0.34,f=-0.87) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0229 (180deg=-0.297) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00797) USER MOD Single : A 36 LYS NZ :NH3+ -120:sc= 1.18 (180deg=-0.157) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : +bothHN:sc= -1.16! C(o=-1.2!,f=-5.6!) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc=-0.000688 (180deg=-0.106) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.19) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 1.15 (180deg=1.05) USER MOD Single : A 53 THR OG1 : rot 89:sc= 1.18 USER MOD Single : A 54 TYR OH : rot 180:sc= 0.48 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.94) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00979 USER MOD Single : A 69 CYS SG : rot 34:sc= -1.41 USER MOD Single : A 74 MET CE :methyl -160:sc= -0.234 (180deg=-0.979) USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= 0.683 (180deg=0.0468) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -159:sc= -0.189 (180deg=-0.813) USER MOD Single : A 89 ASN : amide:sc= 1.04 K(o=1,f=-1.4!) USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= -0.588 (180deg=-2.47!) USER MOD Single : A 91 MET CE :methyl 171:sc= -3.67! (180deg=-3.96!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -170:sc=-0.00382 (180deg=-0.123) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 108 THR OG1 : rot 37:sc= 1.03 USER MOD Single : A 111 ASN : amide:sc= -0.879 X(o=-0.88,f=-0.48) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -151:sc= -2.37 (180deg=-3.34!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 110:sc= 0.758 USER MOD Single : A 121 LYS NZ :NH3+ 147:sc= 1.1 (180deg=0.164) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0717 USER MOD Single : A 125 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.965 -16.130 4.760 1.00 0.00 N ATOM 2 CA MET A 1 10.020 -15.378 3.904 1.00 0.00 C ATOM 3 C MET A 1 9.028 -14.597 4.761 1.00 0.00 C ATOM 4 O MET A 1 8.284 -13.747 4.264 1.00 0.00 O ATOM 5 CB MET A 1 9.268 -16.330 2.968 1.00 0.00 C ATOM 6 CG MET A 1 10.179 -17.103 2.026 1.00 0.00 C ATOM 7 SD MET A 1 11.164 -16.025 0.965 1.00 0.00 S ATOM 8 CE MET A 1 9.881 -15.208 0.017 1.00 0.00 C ATOM 0 H1 MET A 1 11.732 -16.517 4.174 1.00 0.00 H new ATOM 0 H2 MET A 1 11.366 -15.493 5.478 1.00 0.00 H new ATOM 0 H3 MET A 1 10.462 -16.909 5.231 1.00 0.00 H new ATOM 0 HA MET A 1 10.593 -14.674 3.301 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.694 -17.037 3.567 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.552 -15.757 2.379 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.845 -17.737 2.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.575 -17.764 1.404 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.322 -14.734 -0.860 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.141 -15.942 -0.301 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.399 -14.450 0.635 1.00 0.00 H new ATOM 20 N ASN A 2 9.003 -14.892 6.053 1.00 0.00 N ATOM 21 CA ASN A 2 8.173 -14.145 6.979 1.00 0.00 C ATOM 22 C ASN A 2 9.030 -13.161 7.772 1.00 0.00 C ATOM 23 O ASN A 2 9.566 -13.481 8.831 1.00 0.00 O ATOM 24 CB ASN A 2 7.392 -15.092 7.911 1.00 0.00 C ATOM 25 CG ASN A 2 8.272 -16.018 8.742 1.00 0.00 C ATOM 26 OD1 ASN A 2 9.406 -16.322 8.374 1.00 0.00 O ATOM 27 ND2 ASN A 2 7.735 -16.498 9.852 1.00 0.00 N ATOM 0 H ASN A 2 9.547 -15.642 6.480 1.00 0.00 H new ATOM 0 HA ASN A 2 7.438 -13.576 6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 2 6.776 -14.495 8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 2 6.714 -15.697 7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 2 8.265 -17.144 10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 2 6.791 -16.221 10.123 1.00 0.00 H new ATOM 34 N PHE A 3 9.175 -11.960 7.233 1.00 0.00 N ATOM 35 CA PHE A 3 9.945 -10.922 7.896 1.00 0.00 C ATOM 36 C PHE A 3 9.119 -10.320 9.028 1.00 0.00 C ATOM 37 O PHE A 3 9.541 -10.343 10.181 1.00 0.00 O ATOM 38 CB PHE A 3 10.352 -9.843 6.890 1.00 0.00 C ATOM 39 CG PHE A 3 11.475 -8.954 7.356 1.00 0.00 C ATOM 40 CD1 PHE A 3 11.218 -7.817 8.110 1.00 0.00 C ATOM 41 CD2 PHE A 3 12.788 -9.253 7.030 1.00 0.00 C ATOM 42 CE1 PHE A 3 12.251 -7.000 8.529 1.00 0.00 C ATOM 43 CE2 PHE A 3 13.823 -8.439 7.446 1.00 0.00 C ATOM 44 CZ PHE A 3 13.554 -7.311 8.196 1.00 0.00 C ATOM 0 H PHE A 3 8.770 -11.682 6.339 1.00 0.00 H new ATOM 0 HA PHE A 3 10.853 -11.356 8.315 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.648 -10.325 5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.483 -9.224 6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.200 -7.568 8.372 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.005 -10.134 6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 3 12.039 -6.119 9.116 1.00 0.00 H new ATOM 0 HE2 PHE A 3 14.842 -8.684 7.185 1.00 0.00 H new ATOM 0 HZ PHE A 3 14.362 -6.673 8.522 1.00 0.00 H new ATOM 54 N SER A 4 7.931 -9.813 8.675 1.00 0.00 N ATOM 55 CA SER A 4 6.976 -9.236 9.618 1.00 0.00 C ATOM 56 C SER A 4 7.600 -8.150 10.499 1.00 0.00 C ATOM 57 O SER A 4 8.366 -8.422 11.427 1.00 0.00 O ATOM 58 CB SER A 4 6.311 -10.334 10.458 1.00 0.00 C ATOM 59 OG SER A 4 7.233 -11.001 11.305 1.00 0.00 O ATOM 0 H SER A 4 7.605 -9.794 7.709 1.00 0.00 H new ATOM 0 HA SER A 4 6.203 -8.741 9.030 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.518 -9.894 11.063 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.840 -11.060 9.795 1.00 0.00 H new ATOM 0 HG SER A 4 8.117 -10.588 11.216 1.00 0.00 H new ATOM 65 N GLY A 5 7.230 -6.920 10.210 1.00 0.00 N ATOM 66 CA GLY A 5 7.798 -5.782 10.889 1.00 0.00 C ATOM 67 C GLY A 5 7.353 -4.495 10.239 1.00 0.00 C ATOM 68 O GLY A 5 6.516 -4.514 9.340 1.00 0.00 O ATOM 0 H GLY A 5 6.533 -6.685 9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.496 -5.789 11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 5 8.886 -5.847 10.870 1.00 0.00 H new ATOM 72 N LYS A 6 7.910 -3.384 10.672 1.00 0.00 N ATOM 73 CA LYS A 6 7.519 -2.092 10.140 1.00 0.00 C ATOM 74 C LYS A 6 8.373 -1.745 8.916 1.00 0.00 C ATOM 75 O LYS A 6 9.577 -2.005 8.894 1.00 0.00 O ATOM 76 CB LYS A 6 7.696 -1.019 11.213 1.00 0.00 C ATOM 77 CG LYS A 6 6.767 0.171 11.077 1.00 0.00 C ATOM 78 CD LYS A 6 5.538 0.043 11.945 1.00 0.00 C ATOM 79 CE LYS A 6 5.573 1.061 13.055 1.00 0.00 C ATOM 80 NZ LYS A 6 6.685 0.807 14.013 1.00 0.00 N ATOM 0 H LYS A 6 8.634 -3.347 11.390 1.00 0.00 H new ATOM 0 HA LYS A 6 6.472 -2.135 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.541 -1.474 12.191 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.726 -0.664 11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.305 1.081 11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.464 0.275 10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.642 0.184 11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.484 -0.961 12.365 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.683 2.058 12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.623 1.046 13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.631 1.489 14.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.605 -0.159 14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.596 0.914 13.523 1.00 0.00 H new ATOM 94 N TYR A 7 7.738 -1.172 7.903 1.00 0.00 N ATOM 95 CA TYR A 7 8.427 -0.699 6.712 1.00 0.00 C ATOM 96 C TYR A 7 8.044 0.751 6.441 1.00 0.00 C ATOM 97 O TYR A 7 6.878 1.077 6.235 1.00 0.00 O ATOM 98 CB TYR A 7 8.079 -1.542 5.485 1.00 0.00 C ATOM 99 CG TYR A 7 8.404 -3.007 5.615 1.00 0.00 C ATOM 100 CD1 TYR A 7 7.580 -3.840 6.344 1.00 0.00 C ATOM 101 CD2 TYR A 7 9.505 -3.562 4.978 1.00 0.00 C ATOM 102 CE1 TYR A 7 7.835 -5.190 6.443 1.00 0.00 C ATOM 103 CE2 TYR A 7 9.775 -4.913 5.076 1.00 0.00 C ATOM 104 CZ TYR A 7 8.931 -5.723 5.808 1.00 0.00 C ATOM 105 OH TYR A 7 9.174 -7.071 5.895 1.00 0.00 O ATOM 0 H TYR A 7 6.729 -1.022 7.885 1.00 0.00 H new ATOM 0 HA TYR A 7 9.498 -0.783 6.894 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.014 -1.437 5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.611 -1.141 4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.719 -3.425 6.847 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.160 -2.929 4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.177 -5.826 7.017 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.640 -5.332 4.584 1.00 0.00 H new ATOM 0 HH TYR A 7 9.930 -7.229 6.499 1.00 0.00 H new ATOM 115 N GLN A 8 9.032 1.606 6.447 1.00 0.00 N ATOM 116 CA GLN A 8 8.840 3.023 6.247 1.00 0.00 C ATOM 117 C GLN A 8 9.082 3.365 4.776 1.00 0.00 C ATOM 118 O GLN A 8 10.160 3.104 4.244 1.00 0.00 O ATOM 119 CB GLN A 8 9.832 3.720 7.166 1.00 0.00 C ATOM 120 CG GLN A 8 9.478 5.120 7.611 1.00 0.00 C ATOM 121 CD GLN A 8 9.357 6.109 6.474 1.00 0.00 C ATOM 122 OE1 GLN A 8 10.474 6.694 6.084 1.00 0.00 O flip ATOM 123 NE2 GLN A 8 8.273 6.335 5.942 1.00 0.00 N flip ATOM 0 H GLN A 8 10.005 1.338 6.592 1.00 0.00 H new ATOM 0 HA GLN A 8 7.826 3.345 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.963 3.103 8.055 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.796 3.758 6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.535 5.090 8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.238 5.473 8.308 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.433 5.861 6.274 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.213 6.997 5.168 1.00 0.00 H new ATOM 132 N VAL A 9 8.065 3.902 4.112 1.00 0.00 N ATOM 133 CA VAL A 9 8.165 4.235 2.695 1.00 0.00 C ATOM 134 C VAL A 9 9.221 5.309 2.465 1.00 0.00 C ATOM 135 O VAL A 9 9.260 6.322 3.165 1.00 0.00 O ATOM 136 CB VAL A 9 6.824 4.731 2.128 1.00 0.00 C ATOM 137 CG1 VAL A 9 6.883 4.823 0.614 1.00 0.00 C ATOM 138 CG2 VAL A 9 5.684 3.836 2.567 1.00 0.00 C ATOM 0 H VAL A 9 7.161 4.116 4.532 1.00 0.00 H new ATOM 0 HA VAL A 9 8.449 3.319 2.177 1.00 0.00 H new ATOM 0 HB VAL A 9 6.639 5.729 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.924 5.176 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.668 5.520 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.099 3.839 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.748 4.209 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.860 2.821 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.623 3.832 3.655 1.00 0.00 H new ATOM 148 N GLN A 10 10.070 5.089 1.478 1.00 0.00 N ATOM 149 CA GLN A 10 11.121 6.036 1.171 1.00 0.00 C ATOM 150 C GLN A 10 10.832 6.761 -0.116 1.00 0.00 C ATOM 151 O GLN A 10 10.701 7.975 -0.135 1.00 0.00 O ATOM 152 CB GLN A 10 12.482 5.355 1.072 1.00 0.00 C ATOM 153 CG GLN A 10 12.960 4.701 2.337 1.00 0.00 C ATOM 154 CD GLN A 10 12.954 5.633 3.539 1.00 0.00 C ATOM 155 OE1 GLN A 10 13.200 6.915 3.301 1.00 0.00 O flip ATOM 156 NE2 GLN A 10 12.754 5.203 4.672 1.00 0.00 N flip ATOM 0 H GLN A 10 10.051 4.265 0.878 1.00 0.00 H new ATOM 0 HA GLN A 10 11.151 6.753 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.438 4.601 0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.220 6.095 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.329 3.839 2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.972 4.325 2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.568 4.210 4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.774 5.839 5.470 1.00 0.00 H new ATOM 165 N SER A 11 10.738 6.023 -1.188 1.00 0.00 N ATOM 166 CA SER A 11 10.475 6.622 -2.466 1.00 0.00 C ATOM 167 C SER A 11 9.040 6.391 -2.835 1.00 0.00 C ATOM 168 O SER A 11 8.423 5.453 -2.366 1.00 0.00 O ATOM 169 CB SER A 11 11.363 6.026 -3.528 1.00 0.00 C ATOM 170 OG SER A 11 12.713 5.963 -3.099 1.00 0.00 O ATOM 0 H SER A 11 10.839 5.008 -1.202 1.00 0.00 H new ATOM 0 HA SER A 11 10.679 7.691 -2.399 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.012 5.025 -3.778 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.296 6.623 -4.437 1.00 0.00 H new ATOM 0 HG SER A 11 13.264 5.571 -3.808 1.00 0.00 H new ATOM 176 N GLN A 12 8.509 7.281 -3.617 1.00 0.00 N ATOM 177 CA GLN A 12 7.216 7.094 -4.241 1.00 0.00 C ATOM 178 C GLN A 12 7.198 7.880 -5.536 1.00 0.00 C ATOM 179 O GLN A 12 7.964 8.835 -5.703 1.00 0.00 O ATOM 180 CB GLN A 12 6.046 7.550 -3.361 1.00 0.00 C ATOM 181 CG GLN A 12 5.931 6.873 -2.001 1.00 0.00 C ATOM 182 CD GLN A 12 4.897 7.538 -1.111 1.00 0.00 C ATOM 183 OE1 GLN A 12 4.268 6.887 -0.280 1.00 0.00 O ATOM 184 NE2 GLN A 12 4.711 8.842 -1.278 1.00 0.00 N ATOM 0 H GLN A 12 8.957 8.168 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 12 7.082 6.026 -4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.133 8.625 -3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.118 7.382 -3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.666 5.825 -2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.901 6.893 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.252 9.349 -1.978 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.027 9.337 -0.706 1.00 0.00 H new ATOM 193 N GLU A 13 6.330 7.498 -6.441 1.00 0.00 N ATOM 194 CA GLU A 13 6.195 8.220 -7.698 1.00 0.00 C ATOM 195 C GLU A 13 4.749 8.363 -8.080 1.00 0.00 C ATOM 196 O GLU A 13 3.887 7.615 -7.602 1.00 0.00 O ATOM 197 CB GLU A 13 6.951 7.580 -8.861 1.00 0.00 C ATOM 198 CG GLU A 13 6.351 6.304 -9.365 1.00 0.00 C ATOM 199 CD GLU A 13 7.192 5.634 -10.432 1.00 0.00 C ATOM 200 OE1 GLU A 13 7.031 5.974 -11.623 1.00 0.00 O ATOM 201 OE2 GLU A 13 8.022 4.762 -10.086 1.00 0.00 O ATOM 0 H GLU A 13 5.707 6.697 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 13 6.642 9.197 -7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.999 8.294 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.977 7.385 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.219 5.616 -8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.359 6.510 -9.768 1.00 0.00 H new ATOM 208 N ASN A 14 4.510 9.325 -8.955 1.00 0.00 N ATOM 209 CA ASN A 14 3.185 9.637 -9.446 1.00 0.00 C ATOM 210 C ASN A 14 2.208 9.854 -8.294 1.00 0.00 C ATOM 211 O ASN A 14 1.013 9.575 -8.405 1.00 0.00 O ATOM 212 CB ASN A 14 2.671 8.549 -10.385 1.00 0.00 C ATOM 213 CG ASN A 14 3.273 8.626 -11.775 1.00 0.00 C ATOM 214 OD1 ASN A 14 4.388 9.112 -11.963 1.00 0.00 O ATOM 215 ND2 ASN A 14 2.538 8.142 -12.759 1.00 0.00 N ATOM 0 H ASN A 14 5.242 9.917 -9.347 1.00 0.00 H new ATOM 0 HA ASN A 14 3.257 10.566 -10.012 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.892 7.572 -9.954 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.586 8.626 -10.461 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.890 8.163 -13.716 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.618 7.747 -12.562 1.00 0.00 H new ATOM 222 N PHE A 15 2.733 10.367 -7.193 1.00 0.00 N ATOM 223 CA PHE A 15 1.938 10.636 -6.011 1.00 0.00 C ATOM 224 C PHE A 15 1.035 11.835 -6.261 1.00 0.00 C ATOM 225 O PHE A 15 -0.142 11.836 -5.891 1.00 0.00 O ATOM 226 CB PHE A 15 2.868 10.881 -4.816 1.00 0.00 C ATOM 227 CG PHE A 15 2.171 11.342 -3.569 1.00 0.00 C ATOM 228 CD1 PHE A 15 1.890 12.683 -3.377 1.00 0.00 C ATOM 229 CD2 PHE A 15 1.804 10.435 -2.589 1.00 0.00 C ATOM 230 CE1 PHE A 15 1.254 13.113 -2.235 1.00 0.00 C ATOM 231 CE2 PHE A 15 1.168 10.860 -1.440 1.00 0.00 C ATOM 232 CZ PHE A 15 0.893 12.201 -1.262 1.00 0.00 C ATOM 0 H PHE A 15 3.720 10.607 -7.096 1.00 0.00 H new ATOM 0 HA PHE A 15 1.306 9.777 -5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.407 9.959 -4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.612 11.626 -5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.173 13.401 -4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.017 9.385 -2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.037 14.162 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.886 10.145 -0.682 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.396 12.537 -0.364 1.00 0.00 H new ATOM 242 N GLU A 16 1.600 12.844 -6.911 1.00 0.00 N ATOM 243 CA GLU A 16 0.869 14.053 -7.250 1.00 0.00 C ATOM 244 C GLU A 16 -0.303 13.721 -8.126 1.00 0.00 C ATOM 245 O GLU A 16 -1.419 13.960 -7.740 1.00 0.00 O ATOM 246 CB GLU A 16 1.756 15.040 -7.995 1.00 0.00 C ATOM 247 CG GLU A 16 3.217 14.746 -7.835 1.00 0.00 C ATOM 248 CD GLU A 16 4.104 15.712 -8.589 1.00 0.00 C ATOM 249 OE1 GLU A 16 4.402 15.446 -9.773 1.00 0.00 O ATOM 250 OE2 GLU A 16 4.504 16.742 -8.011 1.00 0.00 O ATOM 0 H GLU A 16 2.573 12.846 -7.216 1.00 0.00 H new ATOM 0 HA GLU A 16 0.530 14.503 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.501 15.022 -9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.552 16.048 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.474 14.777 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.417 13.732 -8.182 1.00 0.00 H new ATOM 257 N PRO A 17 -0.070 13.143 -9.312 1.00 0.00 N ATOM 258 CA PRO A 17 -1.137 12.898 -10.271 1.00 0.00 C ATOM 259 C PRO A 17 -2.257 12.058 -9.681 1.00 0.00 C ATOM 260 O PRO A 17 -3.411 12.183 -10.080 1.00 0.00 O ATOM 261 CB PRO A 17 -0.469 12.169 -11.418 1.00 0.00 C ATOM 262 CG PRO A 17 0.838 11.697 -10.889 1.00 0.00 C ATOM 263 CD PRO A 17 1.227 12.647 -9.793 1.00 0.00 C ATOM 0 HA PRO A 17 -1.608 13.830 -10.583 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.079 11.332 -11.758 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.329 12.830 -12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.757 10.679 -10.508 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.592 11.684 -11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.786 12.145 -9.003 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.856 13.456 -10.164 1.00 0.00 H new ATOM 271 N PHE A 18 -1.918 11.222 -8.710 1.00 0.00 N ATOM 272 CA PHE A 18 -2.920 10.421 -8.036 1.00 0.00 C ATOM 273 C PHE A 18 -3.798 11.309 -7.159 1.00 0.00 C ATOM 274 O PHE A 18 -5.020 11.276 -7.264 1.00 0.00 O ATOM 275 CB PHE A 18 -2.255 9.330 -7.192 1.00 0.00 C ATOM 276 CG PHE A 18 -3.243 8.426 -6.521 1.00 0.00 C ATOM 277 CD1 PHE A 18 -4.090 7.648 -7.282 1.00 0.00 C ATOM 278 CD2 PHE A 18 -3.342 8.370 -5.141 1.00 0.00 C ATOM 279 CE1 PHE A 18 -5.018 6.823 -6.691 1.00 0.00 C ATOM 280 CE2 PHE A 18 -4.272 7.545 -4.537 1.00 0.00 C ATOM 281 CZ PHE A 18 -5.113 6.772 -5.314 1.00 0.00 C ATOM 0 H PHE A 18 -0.964 11.084 -8.376 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.546 9.941 -8.788 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.600 8.735 -7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.625 9.797 -6.435 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.023 7.687 -8.359 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.687 8.976 -4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.671 6.217 -7.302 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.341 7.505 -3.460 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.843 6.129 -4.846 1.00 0.00 H new ATOM 291 N MET A 19 -3.170 12.126 -6.319 1.00 0.00 N ATOM 292 CA MET A 19 -3.898 13.093 -5.496 1.00 0.00 C ATOM 293 C MET A 19 -4.486 14.193 -6.356 1.00 0.00 C ATOM 294 O MET A 19 -5.547 14.717 -6.056 1.00 0.00 O ATOM 295 CB MET A 19 -2.987 13.694 -4.423 1.00 0.00 C ATOM 296 CG MET A 19 -2.924 12.848 -3.160 1.00 0.00 C ATOM 297 SD MET A 19 -2.109 13.679 -1.786 1.00 0.00 S ATOM 298 CE MET A 19 -2.449 12.525 -0.457 1.00 0.00 C ATOM 0 H MET A 19 -2.158 12.140 -6.188 1.00 0.00 H new ATOM 0 HA MET A 19 -4.712 12.564 -5.001 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.982 13.808 -4.829 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.343 14.692 -4.168 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.937 12.576 -2.862 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.396 11.920 -3.379 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.009 12.896 0.469 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.527 12.423 -0.331 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.018 11.554 -0.700 1.00 0.00 H new ATOM 308 N LYS A 20 -3.795 14.523 -7.427 1.00 0.00 N ATOM 309 CA LYS A 20 -4.247 15.523 -8.371 1.00 0.00 C ATOM 310 C LYS A 20 -5.566 15.089 -8.959 1.00 0.00 C ATOM 311 O LYS A 20 -6.535 15.844 -8.962 1.00 0.00 O ATOM 312 CB LYS A 20 -3.226 15.677 -9.475 1.00 0.00 C ATOM 313 CG LYS A 20 -2.340 16.882 -9.313 1.00 0.00 C ATOM 314 CD LYS A 20 -1.005 16.636 -9.951 1.00 0.00 C ATOM 315 CE LYS A 20 -0.209 17.903 -10.033 1.00 0.00 C ATOM 316 NZ LYS A 20 -0.768 18.857 -11.029 1.00 0.00 N ATOM 0 H LYS A 20 -2.898 14.102 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.370 16.478 -7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.605 14.782 -9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.745 15.744 -10.431 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.813 17.753 -9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.209 17.106 -8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.454 15.892 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.146 16.225 -10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.184 18.378 -9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.821 17.666 -10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.052 19.573 -11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.037 18.341 -11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.607 19.324 -10.629 1.00 0.00 H new ATOM 330 N ALA A 21 -5.605 13.821 -9.369 1.00 0.00 N ATOM 331 CA ALA A 21 -6.812 13.215 -9.898 1.00 0.00 C ATOM 332 C ALA A 21 -7.831 13.051 -8.791 1.00 0.00 C ATOM 333 O ALA A 21 -9.043 13.012 -9.012 1.00 0.00 O ATOM 334 CB ALA A 21 -6.499 11.876 -10.529 1.00 0.00 C ATOM 0 H ALA A 21 -4.801 13.193 -9.341 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.226 13.867 -10.667 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.416 11.435 -10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.787 12.015 -11.342 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.069 11.212 -9.779 1.00 0.00 H new ATOM 340 N MET A 22 -7.293 12.968 -7.593 1.00 0.00 N ATOM 341 CA MET A 22 -8.072 12.891 -6.367 1.00 0.00 C ATOM 342 C MET A 22 -8.588 14.275 -5.984 1.00 0.00 C ATOM 343 O MET A 22 -9.281 14.446 -4.982 1.00 0.00 O ATOM 344 CB MET A 22 -7.199 12.294 -5.259 1.00 0.00 C ATOM 345 CG MET A 22 -7.206 10.778 -5.245 1.00 0.00 C ATOM 346 SD MET A 22 -8.835 10.079 -4.909 1.00 0.00 S ATOM 347 CE MET A 22 -8.491 8.328 -5.085 1.00 0.00 C ATOM 0 H MET A 22 -6.285 12.952 -7.437 1.00 0.00 H new ATOM 0 HA MET A 22 -8.939 12.247 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.175 12.645 -5.384 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.547 12.661 -4.294 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.851 10.410 -6.208 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.503 10.425 -4.490 1.00 0.00 H new ATOM 0 HE1 MET A 22 -9.403 7.758 -4.907 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.129 8.128 -6.094 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.731 8.032 -4.362 1.00 0.00 H new ATOM 357 N GLY A 23 -8.224 15.260 -6.798 1.00 0.00 N ATOM 358 CA GLY A 23 -8.748 16.604 -6.648 1.00 0.00 C ATOM 359 C GLY A 23 -7.738 17.584 -6.084 1.00 0.00 C ATOM 360 O GLY A 23 -8.083 18.729 -5.788 1.00 0.00 O ATOM 0 H GLY A 23 -7.566 15.148 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.089 16.964 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.620 16.575 -5.994 1.00 0.00 H new ATOM 364 N LEU A 24 -6.493 17.151 -5.933 1.00 0.00 N ATOM 365 CA LEU A 24 -5.480 17.984 -5.290 1.00 0.00 C ATOM 366 C LEU A 24 -4.819 18.929 -6.276 1.00 0.00 C ATOM 367 O LEU A 24 -4.398 18.541 -7.366 1.00 0.00 O ATOM 368 CB LEU A 24 -4.409 17.146 -4.582 1.00 0.00 C ATOM 369 CG LEU A 24 -3.922 17.741 -3.252 1.00 0.00 C ATOM 370 CD1 LEU A 24 -5.098 17.993 -2.323 1.00 0.00 C ATOM 371 CD2 LEU A 24 -2.911 16.832 -2.565 1.00 0.00 C ATOM 0 H LEU A 24 -6.161 16.238 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.006 18.574 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.808 16.149 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.555 17.029 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.429 18.686 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.737 18.415 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.789 18.693 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.612 17.053 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.590 17.287 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.371 15.865 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.047 16.692 -3.215 1.00 0.00 H new ATOM 383 N PRO A 25 -4.738 20.188 -5.869 1.00 0.00 N ATOM 384 CA PRO A 25 -3.983 21.215 -6.565 1.00 0.00 C ATOM 385 C PRO A 25 -2.496 21.021 -6.337 1.00 0.00 C ATOM 386 O PRO A 25 -2.080 20.608 -5.259 1.00 0.00 O ATOM 387 CB PRO A 25 -4.429 22.520 -5.916 1.00 0.00 C ATOM 388 CG PRO A 25 -5.195 22.157 -4.693 1.00 0.00 C ATOM 389 CD PRO A 25 -5.383 20.681 -4.659 1.00 0.00 C ATOM 0 HA PRO A 25 -4.154 21.193 -7.641 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.568 23.139 -5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.048 23.100 -6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.662 22.489 -3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.162 22.660 -4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.932 20.247 -3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.441 20.419 -4.641 1.00 0.00 H new ATOM 397 N GLU A 26 -1.704 21.326 -7.360 1.00 0.00 N ATOM 398 CA GLU A 26 -0.259 21.121 -7.325 1.00 0.00 C ATOM 399 C GLU A 26 0.403 21.763 -6.110 1.00 0.00 C ATOM 400 O GLU A 26 1.392 21.242 -5.609 1.00 0.00 O ATOM 401 CB GLU A 26 0.418 21.623 -8.598 1.00 0.00 C ATOM 402 CG GLU A 26 0.124 23.061 -8.907 1.00 0.00 C ATOM 403 CD GLU A 26 -1.269 23.277 -9.457 1.00 0.00 C ATOM 404 OE1 GLU A 26 -1.546 22.817 -10.585 1.00 0.00 O ATOM 405 OE2 GLU A 26 -2.104 23.875 -8.751 1.00 0.00 O ATOM 0 H GLU A 26 -2.045 21.722 -8.236 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.123 20.042 -7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.496 21.494 -8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.097 21.007 -9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.246 23.654 -8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.854 23.428 -9.628 1.00 0.00 H new ATOM 412 N ASP A 27 -0.122 22.892 -5.648 1.00 0.00 N ATOM 413 CA ASP A 27 0.436 23.550 -4.471 1.00 0.00 C ATOM 414 C ASP A 27 0.213 22.703 -3.222 1.00 0.00 C ATOM 415 O ASP A 27 1.121 22.549 -2.406 1.00 0.00 O ATOM 416 CB ASP A 27 -0.144 24.956 -4.280 1.00 0.00 C ATOM 417 CG ASP A 27 -1.646 24.962 -4.069 1.00 0.00 C ATOM 418 OD1 ASP A 27 -2.386 25.048 -5.072 1.00 0.00 O ATOM 419 OD2 ASP A 27 -2.093 24.890 -2.908 1.00 0.00 O ATOM 0 H ASP A 27 -0.923 23.367 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 27 1.509 23.655 -4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.338 25.427 -3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.096 25.562 -5.154 1.00 0.00 H new ATOM 424 N LEU A 28 -0.977 22.126 -3.090 1.00 0.00 N ATOM 425 CA LEU A 28 -1.261 21.224 -1.978 1.00 0.00 C ATOM 426 C LEU A 28 -0.567 19.896 -2.210 1.00 0.00 C ATOM 427 O LEU A 28 -0.124 19.229 -1.271 1.00 0.00 O ATOM 428 CB LEU A 28 -2.760 21.011 -1.814 1.00 0.00 C ATOM 429 CG LEU A 28 -3.507 22.177 -1.187 1.00 0.00 C ATOM 430 CD1 LEU A 28 -4.992 21.888 -1.152 1.00 0.00 C ATOM 431 CD2 LEU A 28 -2.987 22.448 0.212 1.00 0.00 C ATOM 0 H LEU A 28 -1.756 22.265 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.884 21.676 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.192 20.806 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.921 20.124 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.339 23.066 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.516 22.730 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.357 21.735 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.174 20.990 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.532 23.286 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.129 21.562 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.926 22.691 0.165 1.00 0.00 H new ATOM 443 N ILE A 29 -0.466 19.536 -3.476 1.00 0.00 N ATOM 444 CA ILE A 29 0.237 18.355 -3.901 1.00 0.00 C ATOM 445 C ILE A 29 1.689 18.394 -3.471 1.00 0.00 C ATOM 446 O ILE A 29 2.185 17.437 -2.908 1.00 0.00 O ATOM 447 CB ILE A 29 0.156 18.245 -5.429 1.00 0.00 C ATOM 448 CG1 ILE A 29 -1.160 17.604 -5.816 1.00 0.00 C ATOM 449 CG2 ILE A 29 1.297 17.449 -5.980 1.00 0.00 C ATOM 450 CD1 ILE A 29 -1.199 16.124 -5.553 1.00 0.00 C ATOM 0 H ILE A 29 -0.878 20.067 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.230 17.488 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 29 0.217 19.248 -5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.967 18.086 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.346 17.783 -6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.209 17.390 -7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.238 17.932 -5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.276 16.444 -5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.169 15.727 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.413 15.632 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.044 15.939 -4.490 1.00 0.00 H new ATOM 462 N GLN A 30 2.354 19.515 -3.708 1.00 0.00 N ATOM 463 CA GLN A 30 3.770 19.631 -3.393 1.00 0.00 C ATOM 464 C GLN A 30 4.013 19.525 -1.886 1.00 0.00 C ATOM 465 O GLN A 30 5.113 19.196 -1.445 1.00 0.00 O ATOM 466 CB GLN A 30 4.341 20.954 -3.922 1.00 0.00 C ATOM 467 CG GLN A 30 4.435 21.040 -5.433 1.00 0.00 C ATOM 468 CD GLN A 30 5.052 19.806 -6.062 1.00 0.00 C ATOM 469 OE1 GLN A 30 6.269 19.711 -6.213 1.00 0.00 O ATOM 470 NE2 GLN A 30 4.212 18.861 -6.443 1.00 0.00 N ATOM 0 H GLN A 30 1.939 20.353 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 30 4.283 18.804 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.718 21.773 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.335 21.100 -3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.437 21.190 -5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.027 21.914 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.209 18.981 -6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.566 18.011 -6.882 1.00 0.00 H new ATOM 479 N LYS A 31 2.980 19.803 -1.105 1.00 0.00 N ATOM 480 CA LYS A 31 3.068 19.713 0.343 1.00 0.00 C ATOM 481 C LYS A 31 2.929 18.268 0.772 1.00 0.00 C ATOM 482 O LYS A 31 3.759 17.738 1.507 1.00 0.00 O ATOM 483 CB LYS A 31 1.991 20.561 1.000 1.00 0.00 C ATOM 484 CG LYS A 31 2.243 22.042 0.848 1.00 0.00 C ATOM 485 CD LYS A 31 0.944 22.793 0.741 1.00 0.00 C ATOM 486 CE LYS A 31 0.112 22.654 1.999 1.00 0.00 C ATOM 487 NZ LYS A 31 0.672 23.427 3.139 1.00 0.00 N ATOM 0 H LYS A 31 2.067 20.094 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 31 4.040 20.091 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.023 20.314 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.935 20.313 2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.812 22.409 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.848 22.224 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.147 23.847 0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.378 22.421 -0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.904 22.993 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.048 21.601 2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.049 23.327 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.618 23.065 3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.741 24.431 2.877 1.00 0.00 H new ATOM 501 N GLY A 32 1.874 17.639 0.274 1.00 0.00 N ATOM 502 CA GLY A 32 1.627 16.237 0.548 1.00 0.00 C ATOM 503 C GLY A 32 2.648 15.335 -0.121 1.00 0.00 C ATOM 504 O GLY A 32 2.834 14.189 0.281 1.00 0.00 O ATOM 0 H GLY A 32 1.176 18.082 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.647 16.070 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.628 15.971 0.203 1.00 0.00 H new ATOM 508 N LYS A 33 3.326 15.884 -1.125 1.00 0.00 N ATOM 509 CA LYS A 33 4.243 15.147 -1.982 1.00 0.00 C ATOM 510 C LYS A 33 5.402 14.504 -1.210 1.00 0.00 C ATOM 511 O LYS A 33 6.072 13.602 -1.719 1.00 0.00 O ATOM 512 CB LYS A 33 4.744 16.118 -3.054 1.00 0.00 C ATOM 513 CG LYS A 33 6.227 16.272 -3.151 1.00 0.00 C ATOM 514 CD LYS A 33 6.573 16.904 -4.469 1.00 0.00 C ATOM 515 CE LYS A 33 8.048 17.166 -4.586 1.00 0.00 C ATOM 516 NZ LYS A 33 8.385 17.860 -5.856 1.00 0.00 N ATOM 0 H LYS A 33 3.250 16.872 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 33 3.717 14.308 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.368 15.786 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.308 17.098 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.595 16.888 -2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.712 15.300 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.253 16.251 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.027 17.841 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.378 17.772 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.590 16.222 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.321 18.306 -5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.400 17.171 -6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.671 18.590 -6.053 1.00 0.00 H new ATOM 530 N ASP A 34 5.631 14.956 0.014 1.00 0.00 N ATOM 531 CA ASP A 34 6.750 14.459 0.807 1.00 0.00 C ATOM 532 C ASP A 34 6.274 13.389 1.787 1.00 0.00 C ATOM 533 O ASP A 34 7.067 12.643 2.364 1.00 0.00 O ATOM 534 CB ASP A 34 7.413 15.620 1.553 1.00 0.00 C ATOM 535 CG ASP A 34 8.638 15.201 2.343 1.00 0.00 C ATOM 536 OD1 ASP A 34 9.372 14.297 1.891 1.00 0.00 O ATOM 537 OD2 ASP A 34 8.889 15.794 3.414 1.00 0.00 O ATOM 0 H ASP A 34 5.061 15.662 0.480 1.00 0.00 H new ATOM 0 HA ASP A 34 7.484 14.006 0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.697 16.389 0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.687 16.069 2.231 1.00 0.00 H new ATOM 542 N ILE A 35 4.968 13.313 1.956 1.00 0.00 N ATOM 543 CA ILE A 35 4.366 12.409 2.899 1.00 0.00 C ATOM 544 C ILE A 35 4.273 10.993 2.343 1.00 0.00 C ATOM 545 O ILE A 35 3.923 10.781 1.181 1.00 0.00 O ATOM 546 CB ILE A 35 2.970 12.924 3.316 1.00 0.00 C ATOM 547 CG1 ILE A 35 3.103 14.118 4.257 1.00 0.00 C ATOM 548 CG2 ILE A 35 2.159 11.834 3.959 1.00 0.00 C ATOM 549 CD1 ILE A 35 3.565 15.387 3.598 1.00 0.00 C ATOM 0 H ILE A 35 4.298 13.881 1.438 1.00 0.00 H new ATOM 0 HA ILE A 35 5.007 12.371 3.780 1.00 0.00 H new ATOM 0 HB ILE A 35 2.446 13.245 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.138 14.300 4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.804 13.861 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.182 12.226 4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.030 11.012 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.676 11.472 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.630 16.181 4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.546 15.228 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.854 15.674 2.823 1.00 0.00 H new ATOM 561 N LYS A 36 4.592 10.032 3.202 1.00 0.00 N ATOM 562 CA LYS A 36 4.644 8.629 2.820 1.00 0.00 C ATOM 563 C LYS A 36 4.069 7.742 3.909 1.00 0.00 C ATOM 564 O LYS A 36 3.468 6.704 3.638 1.00 0.00 O ATOM 565 CB LYS A 36 6.080 8.240 2.522 1.00 0.00 C ATOM 566 CG LYS A 36 6.612 8.914 1.277 1.00 0.00 C ATOM 567 CD LYS A 36 8.099 8.807 1.201 1.00 0.00 C ATOM 568 CE LYS A 36 8.740 9.914 2.001 1.00 0.00 C ATOM 569 NZ LYS A 36 10.200 10.011 1.758 1.00 0.00 N ATOM 0 H LYS A 36 4.821 10.205 4.181 1.00 0.00 H new ATOM 0 HA LYS A 36 4.037 8.488 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.709 8.504 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.143 7.158 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.166 8.457 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.319 9.964 1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.422 7.838 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.423 8.864 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.268 10.863 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.561 9.743 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.711 9.866 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.487 9.283 1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.427 10.952 1.378 1.00 0.00 H new ATOM 583 N GLY A 37 4.249 8.183 5.140 1.00 0.00 N ATOM 584 CA GLY A 37 3.726 7.464 6.285 1.00 0.00 C ATOM 585 C GLY A 37 4.556 6.251 6.650 1.00 0.00 C ATOM 586 O GLY A 37 5.456 5.854 5.912 1.00 0.00 O ATOM 0 H GLY A 37 4.755 9.038 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.681 8.138 7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.704 7.148 6.074 1.00 0.00 H new ATOM 590 N VAL A 38 4.269 5.672 7.805 1.00 0.00 N ATOM 591 CA VAL A 38 4.957 4.474 8.247 1.00 0.00 C ATOM 592 C VAL A 38 4.050 3.259 8.104 1.00 0.00 C ATOM 593 O VAL A 38 2.888 3.291 8.513 1.00 0.00 O ATOM 594 CB VAL A 38 5.428 4.607 9.705 1.00 0.00 C ATOM 595 CG1 VAL A 38 6.254 3.405 10.123 1.00 0.00 C ATOM 596 CG2 VAL A 38 6.224 5.881 9.843 1.00 0.00 C ATOM 0 H VAL A 38 3.561 6.015 8.454 1.00 0.00 H new ATOM 0 HA VAL A 38 5.835 4.342 7.615 1.00 0.00 H new ATOM 0 HB VAL A 38 4.560 4.646 10.363 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.574 3.525 11.158 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.652 2.501 10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.130 3.324 9.480 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.564 5.988 10.873 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.087 5.845 9.178 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.597 6.732 9.578 1.00 0.00 H new ATOM 606 N SER A 39 4.574 2.197 7.522 1.00 0.00 N ATOM 607 CA SER A 39 3.784 1.002 7.270 1.00 0.00 C ATOM 608 C SER A 39 4.297 -0.164 8.103 1.00 0.00 C ATOM 609 O SER A 39 5.468 -0.204 8.432 1.00 0.00 O ATOM 610 CB SER A 39 3.838 0.650 5.786 1.00 0.00 C ATOM 611 OG SER A 39 3.318 1.705 4.993 1.00 0.00 O ATOM 0 H SER A 39 5.544 2.135 7.214 1.00 0.00 H new ATOM 0 HA SER A 39 2.750 1.200 7.554 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.868 0.445 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.268 -0.261 5.604 1.00 0.00 H new ATOM 0 HG SER A 39 3.365 1.456 4.046 1.00 0.00 H new ATOM 617 N GLU A 40 3.423 -1.080 8.488 1.00 0.00 N ATOM 618 CA GLU A 40 3.851 -2.279 9.203 1.00 0.00 C ATOM 619 C GLU A 40 3.239 -3.514 8.553 1.00 0.00 C ATOM 620 O GLU A 40 2.033 -3.568 8.318 1.00 0.00 O ATOM 621 CB GLU A 40 3.460 -2.206 10.680 1.00 0.00 C ATOM 622 CG GLU A 40 4.171 -3.237 11.547 1.00 0.00 C ATOM 623 CD GLU A 40 3.730 -3.185 12.996 1.00 0.00 C ATOM 624 OE1 GLU A 40 2.676 -3.762 13.324 1.00 0.00 O ATOM 625 OE2 GLU A 40 4.429 -2.549 13.812 1.00 0.00 O ATOM 0 H GLU A 40 2.419 -1.020 8.320 1.00 0.00 H new ATOM 0 HA GLU A 40 4.937 -2.346 9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.683 -1.208 11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.383 -2.347 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.981 -4.234 11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.247 -3.072 11.493 1.00 0.00 H new ATOM 632 N ILE A 41 4.080 -4.488 8.244 1.00 0.00 N ATOM 633 CA ILE A 41 3.655 -5.669 7.505 1.00 0.00 C ATOM 634 C ILE A 41 4.004 -6.939 8.269 1.00 0.00 C ATOM 635 O ILE A 41 5.180 -7.243 8.448 1.00 0.00 O ATOM 636 CB ILE A 41 4.369 -5.749 6.144 1.00 0.00 C ATOM 637 CG1 ILE A 41 4.496 -4.366 5.505 1.00 0.00 C ATOM 638 CG2 ILE A 41 3.642 -6.700 5.217 1.00 0.00 C ATOM 639 CD1 ILE A 41 3.186 -3.743 5.113 1.00 0.00 C ATOM 0 H ILE A 41 5.069 -4.484 8.495 1.00 0.00 H new ATOM 0 HA ILE A 41 2.577 -5.587 7.368 1.00 0.00 H new ATOM 0 HB ILE A 41 5.375 -6.133 6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.006 -3.702 6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.127 -4.444 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.162 -6.743 4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.618 -7.695 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.622 -6.348 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.367 -2.765 4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.681 -4.383 4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.558 -3.629 5.997 1.00 0.00 H new ATOM 651 N VAL A 42 3.005 -7.695 8.693 1.00 0.00 N ATOM 652 CA VAL A 42 3.254 -8.964 9.366 1.00 0.00 C ATOM 653 C VAL A 42 2.712 -10.111 8.530 1.00 0.00 C ATOM 654 O VAL A 42 1.511 -10.265 8.388 1.00 0.00 O ATOM 655 CB VAL A 42 2.576 -9.014 10.747 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.070 -10.212 11.542 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.789 -7.721 11.517 1.00 0.00 C ATOM 0 H VAL A 42 2.019 -7.456 8.585 1.00 0.00 H new ATOM 0 HA VAL A 42 4.333 -9.057 9.494 1.00 0.00 H new ATOM 0 HB VAL A 42 1.503 -9.127 10.590 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.579 -10.230 12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.837 -11.129 11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.149 -10.137 11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.297 -7.790 12.487 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.857 -7.556 11.662 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.366 -6.889 10.955 1.00 0.00 H new ATOM 667 N HIS A 43 3.587 -10.930 7.996 1.00 0.00 N ATOM 668 CA HIS A 43 3.147 -12.018 7.134 1.00 0.00 C ATOM 669 C HIS A 43 3.185 -13.343 7.881 1.00 0.00 C ATOM 670 O HIS A 43 4.247 -13.832 8.260 1.00 0.00 O ATOM 671 CB HIS A 43 3.978 -12.050 5.838 1.00 0.00 C ATOM 672 CG HIS A 43 3.967 -13.363 5.095 1.00 0.00 C ATOM 673 ND1 HIS A 43 5.113 -13.959 4.607 1.00 0.00 N ATOM 674 CD2 HIS A 43 2.946 -14.180 4.736 1.00 0.00 C ATOM 675 CE1 HIS A 43 4.792 -15.076 3.981 1.00 0.00 C ATOM 676 NE2 HIS A 43 3.486 -15.234 4.047 1.00 0.00 N ATOM 0 H HIS A 43 4.596 -10.872 8.136 1.00 0.00 H new ATOM 0 HA HIS A 43 2.110 -11.845 6.845 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.609 -11.271 5.171 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.010 -11.798 6.082 1.00 0.00 H new ATOM 0 HD1 HIS A 43 6.059 -13.593 4.714 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.899 -14.028 4.953 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.484 -15.748 3.496 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.962 -16.014 3.650 1.00 0.00 H new ATOM 685 N GLU A 44 2.001 -13.900 8.085 1.00 0.00 N ATOM 686 CA GLU A 44 1.835 -15.159 8.783 1.00 0.00 C ATOM 687 C GLU A 44 1.224 -16.208 7.854 1.00 0.00 C ATOM 688 O GLU A 44 0.030 -16.161 7.550 1.00 0.00 O ATOM 689 CB GLU A 44 0.946 -14.935 10.000 1.00 0.00 C ATOM 690 CG GLU A 44 0.525 -16.203 10.714 1.00 0.00 C ATOM 691 CD GLU A 44 -0.335 -15.915 11.928 1.00 0.00 C ATOM 692 OE1 GLU A 44 0.231 -15.725 13.027 1.00 0.00 O ATOM 693 OE2 GLU A 44 -1.576 -15.862 11.788 1.00 0.00 O ATOM 0 H GLU A 44 1.125 -13.486 7.768 1.00 0.00 H new ATOM 0 HA GLU A 44 2.808 -15.528 9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.474 -14.294 10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.052 -14.396 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.026 -16.842 10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.412 -16.757 11.022 1.00 0.00 H new ATOM 700 N GLY A 45 2.054 -17.141 7.397 1.00 0.00 N ATOM 701 CA GLY A 45 1.590 -18.191 6.505 1.00 0.00 C ATOM 702 C GLY A 45 1.153 -17.649 5.163 1.00 0.00 C ATOM 703 O GLY A 45 1.978 -17.373 4.291 1.00 0.00 O ATOM 0 H GLY A 45 3.046 -17.189 7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.387 -18.919 6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.758 -18.719 6.970 1.00 0.00 H new ATOM 707 N LYS A 46 -0.145 -17.499 5.000 1.00 0.00 N ATOM 708 CA LYS A 46 -0.711 -16.878 3.819 1.00 0.00 C ATOM 709 C LYS A 46 -1.064 -15.444 4.101 1.00 0.00 C ATOM 710 O LYS A 46 -0.760 -14.542 3.327 1.00 0.00 O ATOM 711 CB LYS A 46 -1.963 -17.599 3.382 1.00 0.00 C ATOM 712 CG LYS A 46 -1.700 -18.678 2.361 1.00 0.00 C ATOM 713 CD LYS A 46 -1.136 -19.934 3.006 1.00 0.00 C ATOM 714 CE LYS A 46 -0.760 -20.982 1.971 1.00 0.00 C ATOM 715 NZ LYS A 46 0.415 -20.565 1.161 1.00 0.00 N ATOM 0 H LYS A 46 -0.839 -17.804 5.683 1.00 0.00 H new ATOM 0 HA LYS A 46 0.037 -16.931 3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.443 -18.042 4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.664 -16.876 2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.626 -18.920 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.001 -18.308 1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.257 -19.676 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.872 -20.351 3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.539 -21.924 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.609 -21.163 1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.754 -21.373 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.140 -19.792 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.174 -20.239 1.793 1.00 0.00 H new ATOM 729 N LYS A 47 -1.694 -15.247 5.228 1.00 0.00 N ATOM 730 CA LYS A 47 -2.215 -13.953 5.584 1.00 0.00 C ATOM 731 C LYS A 47 -1.104 -13.004 5.944 1.00 0.00 C ATOM 732 O LYS A 47 -0.166 -13.344 6.661 1.00 0.00 O ATOM 733 CB LYS A 47 -3.153 -14.076 6.769 1.00 0.00 C ATOM 734 CG LYS A 47 -4.008 -15.315 6.745 1.00 0.00 C ATOM 735 CD LYS A 47 -5.132 -15.174 7.730 1.00 0.00 C ATOM 736 CE LYS A 47 -4.598 -15.040 9.148 1.00 0.00 C ATOM 737 NZ LYS A 47 -5.611 -14.497 10.084 1.00 0.00 N ATOM 0 H LYS A 47 -1.860 -15.975 5.923 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.753 -13.563 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.565 -14.070 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.801 -13.200 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.407 -15.473 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.405 -16.189 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.733 -14.300 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.789 -16.041 7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.266 -16.016 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.724 -14.388 9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.242 -14.535 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.823 -13.510 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.480 -15.064 10.022 1.00 0.00 H new ATOM 751 N VAL A 48 -1.218 -11.811 5.428 1.00 0.00 N ATOM 752 CA VAL A 48 -0.263 -10.782 5.689 1.00 0.00 C ATOM 753 C VAL A 48 -1.002 -9.583 6.263 1.00 0.00 C ATOM 754 O VAL A 48 -1.994 -9.125 5.698 1.00 0.00 O ATOM 755 CB VAL A 48 0.504 -10.387 4.418 1.00 0.00 C ATOM 756 CG1 VAL A 48 1.547 -9.331 4.731 1.00 0.00 C ATOM 757 CG2 VAL A 48 1.152 -11.600 3.764 1.00 0.00 C ATOM 0 H VAL A 48 -1.981 -11.529 4.813 1.00 0.00 H new ATOM 0 HA VAL A 48 0.476 -11.148 6.402 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.213 -9.969 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.080 -9.064 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.058 -8.446 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.254 -9.723 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.687 -11.287 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.851 -12.060 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.382 -12.322 3.494 1.00 0.00 H new ATOM 767 N LYS A 49 -0.549 -9.113 7.404 1.00 0.00 N ATOM 768 CA LYS A 49 -1.217 -8.023 8.102 1.00 0.00 C ATOM 769 C LYS A 49 -0.649 -6.686 7.637 1.00 0.00 C ATOM 770 O LYS A 49 0.573 -6.520 7.595 1.00 0.00 O ATOM 771 CB LYS A 49 -1.015 -8.160 9.604 1.00 0.00 C ATOM 772 CG LYS A 49 -1.067 -9.593 10.110 1.00 0.00 C ATOM 773 CD LYS A 49 -0.583 -9.679 11.546 1.00 0.00 C ATOM 774 CE LYS A 49 -1.656 -9.253 12.535 1.00 0.00 C ATOM 775 NZ LYS A 49 -2.739 -10.265 12.648 1.00 0.00 N ATOM 0 H LYS A 49 0.284 -9.467 7.875 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.283 -8.065 7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.051 -7.727 9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.780 -7.577 10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.088 -9.970 10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.450 -10.229 9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.274 -10.701 11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.296 -9.047 11.671 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.204 -9.094 13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.081 -8.300 12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.387 -9.995 13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.264 -10.313 11.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.324 -11.196 12.857 1.00 0.00 H new ATOM 789 N LEU A 50 -1.514 -5.736 7.290 1.00 0.00 N ATOM 790 CA LEU A 50 -1.056 -4.444 6.804 1.00 0.00 C ATOM 791 C LEU A 50 -1.480 -3.322 7.725 1.00 0.00 C ATOM 792 O LEU A 50 -2.630 -3.239 8.169 1.00 0.00 O ATOM 793 CB LEU A 50 -1.585 -4.152 5.414 1.00 0.00 C ATOM 794 CG LEU A 50 -0.530 -3.829 4.370 1.00 0.00 C ATOM 795 CD1 LEU A 50 0.289 -2.624 4.793 1.00 0.00 C ATOM 796 CD2 LEU A 50 0.355 -5.035 4.107 1.00 0.00 C ATOM 0 H LEU A 50 -2.528 -5.838 7.337 1.00 0.00 H new ATOM 0 HA LEU A 50 0.032 -4.497 6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.157 -5.015 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.279 -3.314 5.476 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.034 -3.579 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.039 -2.409 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.367 -1.761 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.784 -2.835 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.103 -4.781 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.853 -5.329 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.255 -5.862 3.745 1.00 0.00 H new ATOM 808 N THR A 51 -0.524 -2.479 8.005 1.00 0.00 N ATOM 809 CA THR A 51 -0.740 -1.263 8.751 1.00 0.00 C ATOM 810 C THR A 51 -0.203 -0.107 7.928 1.00 0.00 C ATOM 811 O THR A 51 0.993 -0.055 7.650 1.00 0.00 O ATOM 812 CB THR A 51 -0.037 -1.303 10.117 1.00 0.00 C ATOM 813 OG1 THR A 51 -0.393 -2.504 10.814 1.00 0.00 O ATOM 814 CG2 THR A 51 -0.424 -0.098 10.945 1.00 0.00 C ATOM 0 H THR A 51 0.445 -2.617 7.718 1.00 0.00 H new ATOM 0 HA THR A 51 -1.807 -1.144 8.940 1.00 0.00 H new ATOM 0 HB THR A 51 1.041 -1.286 9.955 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.059 -2.524 11.683 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.082 -0.141 11.909 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.131 0.812 10.422 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.503 -0.095 11.101 1.00 0.00 H new ATOM 822 N ILE A 52 -1.063 0.805 7.513 1.00 0.00 N ATOM 823 CA ILE A 52 -0.633 1.849 6.598 1.00 0.00 C ATOM 824 C ILE A 52 -0.994 3.220 7.136 1.00 0.00 C ATOM 825 O ILE A 52 -2.165 3.509 7.374 1.00 0.00 O ATOM 826 CB ILE A 52 -1.249 1.700 5.184 1.00 0.00 C ATOM 827 CG1 ILE A 52 -1.386 0.229 4.773 1.00 0.00 C ATOM 828 CG2 ILE A 52 -0.401 2.446 4.164 1.00 0.00 C ATOM 829 CD1 ILE A 52 -2.682 -0.400 5.223 1.00 0.00 C ATOM 0 H ILE A 52 -2.045 0.846 7.787 1.00 0.00 H new ATOM 0 HA ILE A 52 0.449 1.745 6.515 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.250 2.131 5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.312 0.154 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.552 -0.336 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.842 2.335 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.361 3.503 4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.608 2.035 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.713 -1.440 4.899 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.750 -0.356 6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.521 0.142 4.785 1.00 0.00 H new ATOM 841 N THR A 53 0.008 4.060 7.321 1.00 0.00 N ATOM 842 CA THR A 53 -0.216 5.414 7.789 1.00 0.00 C ATOM 843 C THR A 53 -0.088 6.391 6.632 1.00 0.00 C ATOM 844 O THR A 53 0.948 6.450 5.976 1.00 0.00 O ATOM 845 CB THR A 53 0.797 5.805 8.880 1.00 0.00 C ATOM 846 OG1 THR A 53 0.944 4.731 9.819 1.00 0.00 O ATOM 847 CG2 THR A 53 0.350 7.061 9.612 1.00 0.00 C ATOM 0 H THR A 53 0.987 3.827 7.154 1.00 0.00 H new ATOM 0 HA THR A 53 -1.221 5.455 8.209 1.00 0.00 H new ATOM 0 HB THR A 53 1.754 6.005 8.399 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.656 4.129 9.518 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.083 7.316 10.378 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.264 7.884 8.903 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.618 6.884 10.081 1.00 0.00 H new ATOM 855 N TYR A 54 -1.139 7.142 6.368 1.00 0.00 N ATOM 856 CA TYR A 54 -1.077 8.185 5.373 1.00 0.00 C ATOM 857 C TYR A 54 -0.931 9.530 6.059 1.00 0.00 C ATOM 858 O TYR A 54 -1.922 10.135 6.472 1.00 0.00 O ATOM 859 CB TYR A 54 -2.343 8.175 4.521 1.00 0.00 C ATOM 860 CG TYR A 54 -2.477 6.955 3.648 1.00 0.00 C ATOM 861 CD1 TYR A 54 -1.926 6.944 2.382 1.00 0.00 C ATOM 862 CD2 TYR A 54 -3.156 5.823 4.081 1.00 0.00 C ATOM 863 CE1 TYR A 54 -2.041 5.844 1.563 1.00 0.00 C ATOM 864 CE2 TYR A 54 -3.273 4.711 3.267 1.00 0.00 C ATOM 865 CZ TYR A 54 -2.715 4.728 2.007 1.00 0.00 C ATOM 866 OH TYR A 54 -2.830 3.627 1.185 1.00 0.00 O ATOM 0 H TYR A 54 -2.043 7.047 6.830 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.217 8.011 4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.212 8.239 5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.353 9.064 3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.395 7.815 2.028 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.598 5.811 5.066 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.604 5.856 0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.798 3.835 3.617 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.333 2.924 1.648 1.00 0.00 H new ATOM 876 N GLY A 55 0.308 9.996 6.154 1.00 0.00 N ATOM 877 CA GLY A 55 0.592 11.262 6.806 1.00 0.00 C ATOM 878 C GLY A 55 0.373 11.203 8.305 1.00 0.00 C ATOM 879 O GLY A 55 1.323 11.292 9.083 1.00 0.00 O ATOM 0 H GLY A 55 1.129 9.515 5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.624 11.548 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.044 12.038 6.379 1.00 0.00 H new ATOM 883 N SER A 56 -0.876 11.024 8.700 1.00 0.00 N ATOM 884 CA SER A 56 -1.241 10.984 10.105 1.00 0.00 C ATOM 885 C SER A 56 -2.225 9.848 10.414 1.00 0.00 C ATOM 886 O SER A 56 -2.101 9.185 11.444 1.00 0.00 O ATOM 887 CB SER A 56 -1.836 12.331 10.518 1.00 0.00 C ATOM 888 OG SER A 56 -2.897 12.720 9.654 1.00 0.00 O ATOM 0 H SER A 56 -1.661 10.903 8.060 1.00 0.00 H new ATOM 0 HA SER A 56 -0.336 10.789 10.681 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.204 12.269 11.542 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.057 13.093 10.505 1.00 0.00 H new ATOM 0 HG SER A 56 -3.257 13.584 9.946 1.00 0.00 H new ATOM 894 N LYS A 57 -3.184 9.608 9.520 1.00 0.00 N ATOM 895 CA LYS A 57 -4.200 8.599 9.740 1.00 0.00 C ATOM 896 C LYS A 57 -3.700 7.223 9.321 1.00 0.00 C ATOM 897 O LYS A 57 -2.875 7.098 8.419 1.00 0.00 O ATOM 898 CB LYS A 57 -5.426 8.959 8.927 1.00 0.00 C ATOM 899 CG LYS A 57 -6.722 8.474 9.529 1.00 0.00 C ATOM 900 CD LYS A 57 -6.941 9.036 10.919 1.00 0.00 C ATOM 901 CE LYS A 57 -7.124 10.545 10.907 1.00 0.00 C ATOM 902 NZ LYS A 57 -7.286 11.094 12.278 1.00 0.00 N ATOM 0 H LYS A 57 -3.272 10.106 8.634 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.443 8.565 10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.471 10.042 8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.322 8.540 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.553 8.763 8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.717 7.385 9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.820 8.569 11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.090 8.780 11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.263 11.011 10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.998 10.800 10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.408 12.126 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.122 10.668 12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.441 10.873 12.843 1.00 0.00 H new ATOM 916 N VAL A 58 -4.225 6.199 9.968 1.00 0.00 N ATOM 917 CA VAL A 58 -3.769 4.831 9.753 1.00 0.00 C ATOM 918 C VAL A 58 -4.920 3.919 9.328 1.00 0.00 C ATOM 919 O VAL A 58 -6.032 4.031 9.843 1.00 0.00 O ATOM 920 CB VAL A 58 -3.127 4.253 11.031 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.314 3.013 10.713 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.279 5.301 11.729 1.00 0.00 C ATOM 0 H VAL A 58 -4.975 6.287 10.654 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.027 4.869 8.956 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.926 3.962 11.712 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.871 2.623 11.630 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.963 2.256 10.273 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.523 3.268 10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.836 4.871 12.628 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.487 5.634 11.058 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.904 6.151 12.003 1.00 0.00 H new ATOM 932 N ILE A 59 -4.641 3.034 8.379 1.00 0.00 N ATOM 933 CA ILE A 59 -5.594 2.014 7.951 1.00 0.00 C ATOM 934 C ILE A 59 -5.114 0.630 8.393 1.00 0.00 C ATOM 935 O ILE A 59 -3.922 0.324 8.309 1.00 0.00 O ATOM 936 CB ILE A 59 -5.788 2.019 6.415 1.00 0.00 C ATOM 937 CG1 ILE A 59 -6.270 3.387 5.944 1.00 0.00 C ATOM 938 CG2 ILE A 59 -6.784 0.967 5.996 1.00 0.00 C ATOM 939 CD1 ILE A 59 -6.570 3.452 4.460 1.00 0.00 C ATOM 0 H ILE A 59 -3.750 3.002 7.884 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.552 2.245 8.418 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.825 1.797 5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.169 3.656 6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.512 4.132 6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.903 0.990 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.425 -0.016 6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.745 1.166 6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.907 4.456 4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.668 3.215 3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.351 2.732 4.215 1.00 0.00 H new ATOM 951 N HIS A 60 -6.037 -0.192 8.873 1.00 0.00 N ATOM 952 CA HIS A 60 -5.709 -1.542 9.319 1.00 0.00 C ATOM 953 C HIS A 60 -6.451 -2.585 8.496 1.00 0.00 C ATOM 954 O HIS A 60 -7.679 -2.564 8.425 1.00 0.00 O ATOM 955 CB HIS A 60 -6.061 -1.724 10.797 1.00 0.00 C ATOM 956 CG HIS A 60 -4.956 -1.358 11.734 1.00 0.00 C ATOM 957 ND1 HIS A 60 -5.023 -0.299 12.611 1.00 0.00 N ATOM 958 CD2 HIS A 60 -3.757 -1.945 11.948 1.00 0.00 C ATOM 959 CE1 HIS A 60 -3.913 -0.251 13.318 1.00 0.00 C ATOM 960 NE2 HIS A 60 -3.127 -1.240 12.938 1.00 0.00 N ATOM 0 H HIS A 60 -7.023 0.052 8.964 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.636 -1.680 9.183 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.936 -1.117 11.029 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.340 -2.764 10.968 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.368 -2.811 11.433 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.684 0.477 14.082 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.203 -1.445 13.319 1.00 0.00 H new ATOM 969 N ASN A 61 -5.715 -3.491 7.865 1.00 0.00 N ATOM 970 CA ASN A 61 -6.334 -4.594 7.143 1.00 0.00 C ATOM 971 C ASN A 61 -5.425 -5.810 7.170 1.00 0.00 C ATOM 972 O ASN A 61 -4.203 -5.684 7.171 1.00 0.00 O ATOM 973 CB ASN A 61 -6.672 -4.208 5.694 1.00 0.00 C ATOM 974 CG ASN A 61 -5.456 -3.812 4.880 1.00 0.00 C ATOM 975 OD1 ASN A 61 -4.805 -4.651 4.264 1.00 0.00 O ATOM 976 ND2 ASN A 61 -5.156 -2.524 4.855 1.00 0.00 N ATOM 0 H ASN A 61 -4.695 -3.484 7.839 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.272 -4.836 7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.168 -5.048 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.381 -3.380 5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.358 -2.197 4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.722 -1.858 5.381 1.00 0.00 H new ATOM 983 N GLU A 62 -6.023 -6.982 7.257 1.00 0.00 N ATOM 984 CA GLU A 62 -5.279 -8.224 7.168 1.00 0.00 C ATOM 985 C GLU A 62 -5.872 -9.077 6.067 1.00 0.00 C ATOM 986 O GLU A 62 -7.094 -9.151 5.929 1.00 0.00 O ATOM 987 CB GLU A 62 -5.320 -8.967 8.493 1.00 0.00 C ATOM 988 CG GLU A 62 -4.349 -10.126 8.575 1.00 0.00 C ATOM 989 CD GLU A 62 -4.790 -11.156 9.591 1.00 0.00 C ATOM 990 OE1 GLU A 62 -5.769 -11.886 9.322 1.00 0.00 O ATOM 991 OE2 GLU A 62 -4.172 -11.231 10.668 1.00 0.00 O ATOM 0 H GLU A 62 -7.027 -7.101 7.390 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.237 -8.004 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.103 -8.266 9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.331 -9.340 8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.260 -10.596 7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.360 -9.754 8.841 1.00 0.00 H new ATOM 998 N PHE A 63 -5.027 -9.741 5.309 1.00 0.00 N ATOM 999 CA PHE A 63 -5.481 -10.425 4.110 1.00 0.00 C ATOM 1000 C PHE A 63 -4.770 -11.751 3.938 1.00 0.00 C ATOM 1001 O PHE A 63 -3.625 -11.890 4.336 1.00 0.00 O ATOM 1002 CB PHE A 63 -5.271 -9.529 2.887 1.00 0.00 C ATOM 1003 CG PHE A 63 -3.916 -8.881 2.817 1.00 0.00 C ATOM 1004 CD1 PHE A 63 -2.813 -9.573 2.341 1.00 0.00 C ATOM 1005 CD2 PHE A 63 -3.754 -7.574 3.223 1.00 0.00 C ATOM 1006 CE1 PHE A 63 -1.577 -8.968 2.276 1.00 0.00 C ATOM 1007 CE2 PHE A 63 -2.516 -6.960 3.162 1.00 0.00 C ATOM 1008 CZ PHE A 63 -1.427 -7.660 2.685 1.00 0.00 C ATOM 0 H PHE A 63 -4.028 -9.824 5.496 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.546 -10.634 4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.423 -10.123 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.033 -8.750 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.924 -10.597 2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.605 -7.022 3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.725 -9.519 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.402 -5.936 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.459 -7.184 2.632 1.00 0.00 H new ATOM 1018 N THR A 64 -5.445 -12.712 3.330 1.00 0.00 N ATOM 1019 CA THR A 64 -4.915 -14.060 3.210 1.00 0.00 C ATOM 1020 C THR A 64 -4.457 -14.338 1.774 1.00 0.00 C ATOM 1021 O THR A 64 -5.156 -14.016 0.813 1.00 0.00 O ATOM 1022 CB THR A 64 -5.977 -15.094 3.603 1.00 0.00 C ATOM 1023 OG1 THR A 64 -6.629 -14.690 4.814 1.00 0.00 O ATOM 1024 CG2 THR A 64 -5.349 -16.457 3.806 1.00 0.00 C ATOM 0 H THR A 64 -6.365 -12.583 2.910 1.00 0.00 H new ATOM 0 HA THR A 64 -4.061 -14.141 3.883 1.00 0.00 H new ATOM 0 HB THR A 64 -6.706 -15.157 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.307 -15.354 5.058 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.120 -17.175 4.084 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.870 -16.779 2.881 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.604 -16.400 4.599 1.00 0.00 H new ATOM 1032 N LEU A 65 -3.280 -14.930 1.646 1.00 0.00 N ATOM 1033 CA LEU A 65 -2.693 -15.244 0.354 1.00 0.00 C ATOM 1034 C LEU A 65 -3.466 -16.334 -0.374 1.00 0.00 C ATOM 1035 O LEU A 65 -3.620 -17.444 0.136 1.00 0.00 O ATOM 1036 CB LEU A 65 -1.262 -15.694 0.572 1.00 0.00 C ATOM 1037 CG LEU A 65 -0.186 -14.650 0.296 1.00 0.00 C ATOM 1038 CD1 LEU A 65 0.490 -14.994 -1.006 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -0.781 -13.258 0.223 1.00 0.00 C ATOM 0 H LEU A 65 -2.703 -15.207 2.440 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.729 -14.350 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.160 -16.028 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.073 -16.559 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 65 0.538 -14.656 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.264 -14.257 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.942 -15.983 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.246 -14.991 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.010 -12.534 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.518 -13.219 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.263 -13.018 1.171 1.00 0.00 H new ATOM 1051 N GLY A 66 -3.956 -16.004 -1.563 1.00 0.00 N ATOM 1052 CA GLY A 66 -4.669 -16.969 -2.385 1.00 0.00 C ATOM 1053 C GLY A 66 -6.019 -17.292 -1.814 1.00 0.00 C ATOM 1054 O GLY A 66 -6.707 -18.208 -2.273 1.00 0.00 O ATOM 0 H GLY A 66 -3.872 -15.076 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.786 -16.573 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.080 -17.883 -2.468 1.00 0.00 H new ATOM 1058 N GLU A 67 -6.396 -16.537 -0.808 1.00 0.00 N ATOM 1059 CA GLU A 67 -7.617 -16.785 -0.098 1.00 0.00 C ATOM 1060 C GLU A 67 -8.443 -15.511 -0.039 1.00 0.00 C ATOM 1061 O GLU A 67 -7.898 -14.410 0.002 1.00 0.00 O ATOM 1062 CB GLU A 67 -7.326 -17.330 1.301 1.00 0.00 C ATOM 1063 CG GLU A 67 -8.574 -17.701 2.088 1.00 0.00 C ATOM 1064 CD GLU A 67 -8.268 -18.411 3.392 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -7.798 -19.566 3.353 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -8.520 -17.825 4.464 1.00 0.00 O ATOM 0 H GLU A 67 -5.863 -15.738 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.193 -17.543 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.689 -18.210 1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.763 -16.584 1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.145 -16.797 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.207 -18.341 1.473 1.00 0.00 H new ATOM 1073 N GLU A 68 -9.756 -15.661 -0.073 1.00 0.00 N ATOM 1074 CA GLU A 68 -10.646 -14.517 -0.099 1.00 0.00 C ATOM 1075 C GLU A 68 -10.595 -13.780 1.239 1.00 0.00 C ATOM 1076 O GLU A 68 -10.830 -14.355 2.305 1.00 0.00 O ATOM 1077 CB GLU A 68 -12.073 -14.982 -0.447 1.00 0.00 C ATOM 1078 CG GLU A 68 -13.168 -13.953 -0.259 1.00 0.00 C ATOM 1079 CD GLU A 68 -13.707 -13.906 1.160 1.00 0.00 C ATOM 1080 OE1 GLU A 68 -14.189 -14.949 1.652 1.00 0.00 O ATOM 1081 OE2 GLU A 68 -13.646 -12.837 1.789 1.00 0.00 O ATOM 0 H GLU A 68 -10.228 -16.565 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.324 -13.815 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.084 -15.310 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.310 -15.852 0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.783 -12.969 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.986 -14.173 -0.945 1.00 0.00 H new ATOM 1088 N CYS A 69 -10.224 -12.518 1.156 1.00 0.00 N ATOM 1089 CA CYS A 69 -10.140 -11.632 2.297 1.00 0.00 C ATOM 1090 C CYS A 69 -10.826 -10.335 1.953 1.00 0.00 C ATOM 1091 O CYS A 69 -11.002 -10.028 0.785 1.00 0.00 O ATOM 1092 CB CYS A 69 -8.684 -11.353 2.647 1.00 0.00 C ATOM 1093 SG CYS A 69 -7.601 -11.232 1.204 1.00 0.00 S ATOM 0 H CYS A 69 -9.968 -12.072 0.275 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.622 -12.102 3.154 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.627 -10.423 3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.318 -12.145 3.300 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.258 -10.710 0.211 1.00 0.00 H new ATOM 1099 N GLU A 70 -11.240 -9.582 2.935 1.00 0.00 N ATOM 1100 CA GLU A 70 -11.794 -8.280 2.644 1.00 0.00 C ATOM 1101 C GLU A 70 -10.797 -7.192 2.982 1.00 0.00 C ATOM 1102 O GLU A 70 -10.046 -7.282 3.954 1.00 0.00 O ATOM 1103 CB GLU A 70 -13.095 -8.030 3.365 1.00 0.00 C ATOM 1104 CG GLU A 70 -14.083 -9.145 3.261 1.00 0.00 C ATOM 1105 CD GLU A 70 -15.363 -8.886 4.025 1.00 0.00 C ATOM 1106 OE1 GLU A 70 -15.404 -9.171 5.243 1.00 0.00 O ATOM 1107 OE2 GLU A 70 -16.339 -8.408 3.413 1.00 0.00 O ATOM 0 H GLU A 70 -11.208 -9.835 3.923 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.007 -8.260 1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.883 -7.846 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.548 -7.122 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.323 -9.312 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.626 -10.062 3.633 1.00 0.00 H new ATOM 1114 N LEU A 71 -10.821 -6.167 2.175 1.00 0.00 N ATOM 1115 CA LEU A 71 -9.903 -5.063 2.284 1.00 0.00 C ATOM 1116 C LEU A 71 -10.624 -3.888 2.915 1.00 0.00 C ATOM 1117 O LEU A 71 -11.652 -3.442 2.409 1.00 0.00 O ATOM 1118 CB LEU A 71 -9.397 -4.665 0.899 1.00 0.00 C ATOM 1119 CG LEU A 71 -7.884 -4.489 0.769 1.00 0.00 C ATOM 1120 CD1 LEU A 71 -7.392 -3.399 1.702 1.00 0.00 C ATOM 1121 CD2 LEU A 71 -7.169 -5.802 1.050 1.00 0.00 C ATOM 0 H LEU A 71 -11.489 -6.072 1.410 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.053 -5.355 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.719 -5.422 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.879 -3.730 0.612 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.658 -4.189 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.313 -3.288 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.880 -2.457 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.629 -3.667 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.093 -5.658 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.401 -6.133 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.500 -6.557 0.336 1.00 0.00 H new ATOM 1133 N GLU A 72 -10.080 -3.384 3.997 1.00 0.00 N ATOM 1134 CA GLU A 72 -10.749 -2.354 4.771 1.00 0.00 C ATOM 1135 C GLU A 72 -10.180 -0.987 4.427 1.00 0.00 C ATOM 1136 O GLU A 72 -8.967 -0.781 4.461 1.00 0.00 O ATOM 1137 CB GLU A 72 -10.580 -2.618 6.268 1.00 0.00 C ATOM 1138 CG GLU A 72 -11.373 -1.668 7.152 1.00 0.00 C ATOM 1139 CD GLU A 72 -11.202 -1.978 8.622 1.00 0.00 C ATOM 1140 OE1 GLU A 72 -11.574 -3.094 9.044 1.00 0.00 O ATOM 1141 OE2 GLU A 72 -10.703 -1.111 9.364 1.00 0.00 O ATOM 0 H GLU A 72 -9.173 -3.669 4.366 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.811 -2.373 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.887 -3.641 6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.523 -2.541 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.054 -0.644 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.429 -1.728 6.890 1.00 0.00 H new ATOM 1148 N THR A 73 -11.055 -0.068 4.073 1.00 0.00 N ATOM 1149 CA THR A 73 -10.656 1.295 3.797 1.00 0.00 C ATOM 1150 C THR A 73 -10.727 2.141 5.065 1.00 0.00 C ATOM 1151 O THR A 73 -11.197 1.679 6.106 1.00 0.00 O ATOM 1152 CB THR A 73 -11.569 1.912 2.722 1.00 0.00 C ATOM 1153 OG1 THR A 73 -12.932 1.849 3.158 1.00 0.00 O ATOM 1154 CG2 THR A 73 -11.429 1.166 1.409 1.00 0.00 C ATOM 0 H THR A 73 -12.054 -0.243 3.969 1.00 0.00 H new ATOM 0 HA THR A 73 -9.628 1.280 3.434 1.00 0.00 H new ATOM 0 HB THR A 73 -11.274 2.950 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.270 0.936 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.082 1.618 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.395 1.221 1.068 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.709 0.122 1.552 1.00 0.00 H new ATOM 1162 N MET A 74 -10.284 3.389 4.963 1.00 0.00 N ATOM 1163 CA MET A 74 -10.330 4.322 6.085 1.00 0.00 C ATOM 1164 C MET A 74 -11.774 4.759 6.335 1.00 0.00 C ATOM 1165 O MET A 74 -12.066 5.494 7.272 1.00 0.00 O ATOM 1166 CB MET A 74 -9.437 5.536 5.789 1.00 0.00 C ATOM 1167 CG MET A 74 -8.709 6.101 7.007 1.00 0.00 C ATOM 1168 SD MET A 74 -9.773 7.042 8.120 1.00 0.00 S ATOM 1169 CE MET A 74 -10.280 8.384 7.045 1.00 0.00 C ATOM 0 H MET A 74 -9.886 3.781 4.109 1.00 0.00 H new ATOM 0 HA MET A 74 -9.957 3.830 6.983 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.698 5.253 5.039 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.050 6.323 5.351 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.256 5.279 7.561 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.896 6.743 6.667 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.633 9.220 7.649 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.432 8.706 6.440 1.00 0.00 H new ATOM 0 HE3 MET A 74 -11.083 8.043 6.392 1.00 0.00 H new ATOM 1179 N THR A 75 -12.681 4.277 5.499 1.00 0.00 N ATOM 1180 CA THR A 75 -14.076 4.662 5.586 1.00 0.00 C ATOM 1181 C THR A 75 -14.826 3.639 6.423 1.00 0.00 C ATOM 1182 O THR A 75 -15.928 3.886 6.908 1.00 0.00 O ATOM 1183 CB THR A 75 -14.719 4.748 4.188 1.00 0.00 C ATOM 1184 OG1 THR A 75 -14.930 3.434 3.653 1.00 0.00 O ATOM 1185 CG2 THR A 75 -13.828 5.530 3.239 1.00 0.00 C ATOM 0 H THR A 75 -12.472 3.616 4.751 1.00 0.00 H new ATOM 0 HA THR A 75 -14.133 5.647 6.050 1.00 0.00 H new ATOM 0 HB THR A 75 -15.677 5.259 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.074 3.061 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.298 5.580 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.683 6.539 3.624 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.862 5.032 3.154 1.00 0.00 H new ATOM 1193 N GLY A 76 -14.198 2.485 6.587 1.00 0.00 N ATOM 1194 CA GLY A 76 -14.792 1.405 7.335 1.00 0.00 C ATOM 1195 C GLY A 76 -15.349 0.331 6.429 1.00 0.00 C ATOM 1196 O GLY A 76 -15.533 -0.810 6.848 1.00 0.00 O ATOM 0 H GLY A 76 -13.274 2.279 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.045 0.969 7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.589 1.796 7.967 1.00 0.00 H new ATOM 1200 N GLU A 77 -15.611 0.693 5.179 1.00 0.00 N ATOM 1201 CA GLU A 77 -16.087 -0.272 4.207 1.00 0.00 C ATOM 1202 C GLU A 77 -14.975 -1.190 3.776 1.00 0.00 C ATOM 1203 O GLU A 77 -13.942 -0.774 3.240 1.00 0.00 O ATOM 1204 CB GLU A 77 -16.724 0.404 3.004 1.00 0.00 C ATOM 1205 CG GLU A 77 -18.217 0.624 3.161 1.00 0.00 C ATOM 1206 CD GLU A 77 -18.560 1.720 4.145 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -18.561 2.898 3.738 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -18.849 1.407 5.321 1.00 0.00 O ATOM 0 H GLU A 77 -15.502 1.642 4.820 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.859 -0.868 4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.238 1.365 2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.544 -0.204 2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.645 0.871 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -18.682 -0.306 3.487 1.00 0.00 H new ATOM 1215 N LYS A 78 -15.210 -2.439 4.072 1.00 0.00 N ATOM 1216 CA LYS A 78 -14.278 -3.503 3.837 1.00 0.00 C ATOM 1217 C LYS A 78 -14.813 -4.388 2.708 1.00 0.00 C ATOM 1218 O LYS A 78 -15.919 -4.916 2.805 1.00 0.00 O ATOM 1219 CB LYS A 78 -14.165 -4.277 5.137 1.00 0.00 C ATOM 1220 CG LYS A 78 -13.039 -5.273 5.194 1.00 0.00 C ATOM 1221 CD LYS A 78 -13.341 -6.425 6.146 1.00 0.00 C ATOM 1222 CE LYS A 78 -13.849 -5.972 7.504 1.00 0.00 C ATOM 1223 NZ LYS A 78 -12.772 -5.435 8.372 1.00 0.00 N ATOM 0 H LYS A 78 -16.083 -2.752 4.496 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.297 -3.136 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -14.042 -3.567 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.104 -4.803 5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.854 -5.668 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.126 -4.770 5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.084 -7.079 5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.437 -7.018 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.612 -5.206 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.329 -6.812 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.966 -5.687 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.859 -5.841 8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.735 -4.400 8.279 1.00 0.00 H new ATOM 1237 N VAL A 79 -14.044 -4.542 1.645 1.00 0.00 N ATOM 1238 CA VAL A 79 -14.522 -5.235 0.453 1.00 0.00 C ATOM 1239 C VAL A 79 -13.711 -6.502 0.166 1.00 0.00 C ATOM 1240 O VAL A 79 -12.483 -6.482 0.192 1.00 0.00 O ATOM 1241 CB VAL A 79 -14.501 -4.296 -0.776 1.00 0.00 C ATOM 1242 CG1 VAL A 79 -13.101 -3.805 -1.081 1.00 0.00 C ATOM 1243 CG2 VAL A 79 -15.093 -4.997 -1.969 1.00 0.00 C ATOM 0 H VAL A 79 -13.086 -4.198 1.579 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.551 -5.536 0.648 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.106 -3.420 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.127 -3.148 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.713 -3.256 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.454 -4.657 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.074 -4.329 -2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.511 -5.891 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.123 -5.279 -1.751 1.00 0.00 H new ATOM 1253 N LYS A 80 -14.417 -7.600 -0.100 1.00 0.00 N ATOM 1254 CA LYS A 80 -13.785 -8.884 -0.410 1.00 0.00 C ATOM 1255 C LYS A 80 -12.969 -8.810 -1.683 1.00 0.00 C ATOM 1256 O LYS A 80 -13.479 -8.491 -2.757 1.00 0.00 O ATOM 1257 CB LYS A 80 -14.844 -9.977 -0.573 1.00 0.00 C ATOM 1258 CG LYS A 80 -15.552 -10.331 0.706 1.00 0.00 C ATOM 1259 CD LYS A 80 -16.959 -10.847 0.458 1.00 0.00 C ATOM 1260 CE LYS A 80 -17.810 -9.810 -0.258 1.00 0.00 C ATOM 1261 NZ LYS A 80 -19.258 -10.132 -0.189 1.00 0.00 N ATOM 0 H LYS A 80 -15.437 -7.626 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.124 -9.124 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.581 -9.650 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.370 -10.872 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.978 -11.088 1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.597 -9.453 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.914 -11.758 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.425 -11.110 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.635 -8.830 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.502 -9.747 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.801 -9.400 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.430 -11.056 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.559 -10.167 0.806 1.00 0.00 H new ATOM 1275 N ALA A 81 -11.698 -9.103 -1.529 1.00 0.00 N ATOM 1276 CA ALA A 81 -10.763 -9.151 -2.621 1.00 0.00 C ATOM 1277 C ALA A 81 -9.698 -10.199 -2.321 1.00 0.00 C ATOM 1278 O ALA A 81 -9.300 -10.382 -1.170 1.00 0.00 O ATOM 1279 CB ALA A 81 -10.130 -7.794 -2.808 1.00 0.00 C ATOM 0 H ALA A 81 -11.281 -9.318 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.281 -9.422 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.422 -7.834 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.904 -7.059 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.606 -7.508 -1.896 1.00 0.00 H new ATOM 1285 N VAL A 82 -9.228 -10.881 -3.342 1.00 0.00 N ATOM 1286 CA VAL A 82 -8.295 -11.976 -3.139 1.00 0.00 C ATOM 1287 C VAL A 82 -6.878 -11.564 -3.522 1.00 0.00 C ATOM 1288 O VAL A 82 -6.603 -11.236 -4.678 1.00 0.00 O ATOM 1289 CB VAL A 82 -8.718 -13.227 -3.924 1.00 0.00 C ATOM 1290 CG1 VAL A 82 -7.779 -14.377 -3.640 1.00 0.00 C ATOM 1291 CG2 VAL A 82 -10.111 -13.626 -3.518 1.00 0.00 C ATOM 0 H VAL A 82 -9.472 -10.702 -4.316 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.309 -12.223 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.686 -12.994 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.096 -15.253 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.767 -14.101 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.797 -14.607 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.412 -14.514 -4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.131 -13.843 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.801 -12.810 -3.735 1.00 0.00 H new ATOM 1301 N VAL A 83 -5.986 -11.582 -2.543 1.00 0.00 N ATOM 1302 CA VAL A 83 -4.618 -11.137 -2.740 1.00 0.00 C ATOM 1303 C VAL A 83 -3.645 -12.311 -2.738 1.00 0.00 C ATOM 1304 O VAL A 83 -3.645 -13.149 -1.836 1.00 0.00 O ATOM 1305 CB VAL A 83 -4.209 -10.112 -1.667 1.00 0.00 C ATOM 1306 CG1 VAL A 83 -4.342 -10.708 -0.295 1.00 0.00 C ATOM 1307 CG2 VAL A 83 -2.800 -9.610 -1.911 1.00 0.00 C ATOM 0 H VAL A 83 -6.190 -11.903 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.573 -10.656 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.882 -9.257 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.049 -9.970 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.377 -11.004 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.696 -11.583 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.533 -8.887 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.104 -10.448 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.748 -9.133 -2.890 1.00 0.00 H new ATOM 1317 N LYS A 84 -2.858 -12.394 -3.790 1.00 0.00 N ATOM 1318 CA LYS A 84 -1.788 -13.368 -3.881 1.00 0.00 C ATOM 1319 C LYS A 84 -0.616 -12.723 -4.600 1.00 0.00 C ATOM 1320 O LYS A 84 -0.786 -11.667 -5.209 1.00 0.00 O ATOM 1321 CB LYS A 84 -2.228 -14.643 -4.573 1.00 0.00 C ATOM 1322 CG LYS A 84 -1.481 -15.850 -4.053 1.00 0.00 C ATOM 1323 CD LYS A 84 -1.041 -16.756 -5.192 1.00 0.00 C ATOM 1324 CE LYS A 84 -2.234 -17.297 -5.961 1.00 0.00 C ATOM 1325 NZ LYS A 84 -1.830 -17.921 -7.246 1.00 0.00 N ATOM 0 H LYS A 84 -2.941 -11.789 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.490 -13.664 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.298 -14.786 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.065 -14.549 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.609 -15.525 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.118 -16.408 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.390 -16.202 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.456 -17.585 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.757 -18.032 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.937 -16.487 -6.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.673 -18.277 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.354 -17.213 -7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.179 -18.710 -7.059 1.00 0.00 H new ATOM 1339 N MET A 85 0.568 -13.326 -4.540 1.00 0.00 N ATOM 1340 CA MET A 85 1.777 -12.585 -4.858 1.00 0.00 C ATOM 1341 C MET A 85 1.961 -12.482 -6.361 1.00 0.00 C ATOM 1342 O MET A 85 2.278 -13.461 -7.040 1.00 0.00 O ATOM 1343 CB MET A 85 3.018 -13.238 -4.221 1.00 0.00 C ATOM 1344 CG MET A 85 2.776 -13.878 -2.868 1.00 0.00 C ATOM 1345 SD MET A 85 4.239 -14.696 -2.203 1.00 0.00 S ATOM 1346 CE MET A 85 4.539 -15.943 -3.456 1.00 0.00 C ATOM 0 H MET A 85 0.712 -14.302 -4.280 1.00 0.00 H new ATOM 0 HA MET A 85 1.667 -11.583 -4.444 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.402 -13.997 -4.903 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.796 -12.481 -4.115 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.443 -13.114 -2.165 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.968 -14.605 -2.955 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.146 -16.744 -3.034 1.00 0.00 H new ATOM 0 HE2 MET A 85 3.588 -16.351 -3.799 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.066 -15.494 -4.298 1.00 0.00 H new ATOM 1356 N GLU A 86 1.743 -11.267 -6.852 1.00 0.00 N ATOM 1357 CA GLU A 86 1.957 -10.921 -8.240 1.00 0.00 C ATOM 1358 C GLU A 86 2.892 -9.736 -8.295 1.00 0.00 C ATOM 1359 O GLU A 86 2.823 -8.840 -7.460 1.00 0.00 O ATOM 1360 CB GLU A 86 0.656 -10.574 -8.934 1.00 0.00 C ATOM 1361 CG GLU A 86 0.738 -10.696 -10.444 1.00 0.00 C ATOM 1362 CD GLU A 86 -0.601 -10.456 -11.110 1.00 0.00 C ATOM 1363 OE1 GLU A 86 -1.418 -11.399 -11.168 1.00 0.00 O ATOM 1364 OE2 GLU A 86 -0.858 -9.319 -11.562 1.00 0.00 O ATOM 0 H GLU A 86 1.408 -10.489 -6.284 1.00 0.00 H new ATOM 0 HA GLU A 86 2.387 -11.780 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.132 -11.230 -8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.372 -9.555 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.466 -9.980 -10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.100 -11.690 -10.708 1.00 0.00 H new ATOM 1371 N GLY A 87 3.741 -9.711 -9.283 1.00 0.00 N ATOM 1372 CA GLY A 87 4.840 -8.791 -9.252 1.00 0.00 C ATOM 1373 C GLY A 87 6.068 -9.539 -8.839 1.00 0.00 C ATOM 1374 O GLY A 87 7.131 -8.962 -8.628 1.00 0.00 O ATOM 0 H GLY A 87 3.695 -10.308 -10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.983 -8.338 -10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.636 -7.980 -8.553 1.00 0.00 H new ATOM 1378 N ASP A 88 5.863 -10.847 -8.669 1.00 0.00 N ATOM 1379 CA ASP A 88 6.938 -11.820 -8.523 1.00 0.00 C ATOM 1380 C ASP A 88 7.528 -11.839 -7.116 1.00 0.00 C ATOM 1381 O ASP A 88 7.905 -12.892 -6.603 1.00 0.00 O ATOM 1382 CB ASP A 88 7.995 -11.483 -9.554 1.00 0.00 C ATOM 1383 CG ASP A 88 8.865 -12.658 -9.942 1.00 0.00 C ATOM 1384 OD1 ASP A 88 9.877 -12.908 -9.256 1.00 0.00 O ATOM 1385 OD2 ASP A 88 8.558 -13.321 -10.955 1.00 0.00 O ATOM 0 H ASP A 88 4.932 -11.262 -8.629 1.00 0.00 H new ATOM 0 HA ASP A 88 6.542 -12.823 -8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.507 -11.094 -10.447 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.629 -10.687 -9.164 1.00 0.00 H new ATOM 1390 N ASN A 89 7.592 -10.679 -6.493 1.00 0.00 N ATOM 1391 CA ASN A 89 8.202 -10.555 -5.172 1.00 0.00 C ATOM 1392 C ASN A 89 7.180 -10.399 -4.046 1.00 0.00 C ATOM 1393 O ASN A 89 7.440 -10.793 -2.916 1.00 0.00 O ATOM 1394 CB ASN A 89 9.186 -9.392 -5.170 1.00 0.00 C ATOM 1395 CG ASN A 89 10.542 -9.786 -5.727 1.00 0.00 C ATOM 1396 OD1 ASN A 89 10.994 -10.915 -5.547 1.00 0.00 O ATOM 1397 ND2 ASN A 89 11.194 -8.869 -6.421 1.00 0.00 N ATOM 0 H ASN A 89 7.231 -9.805 -6.875 1.00 0.00 H new ATOM 0 HA ASN A 89 8.729 -11.488 -4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.777 -8.572 -5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.307 -9.023 -4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.103 -9.088 -6.828 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.788 -7.942 -6.550 1.00 0.00 H new ATOM 1404 N LYS A 90 6.050 -9.788 -4.339 1.00 0.00 N ATOM 1405 CA LYS A 90 5.006 -9.559 -3.344 1.00 0.00 C ATOM 1406 C LYS A 90 3.640 -9.607 -4.008 1.00 0.00 C ATOM 1407 O LYS A 90 3.559 -9.872 -5.198 1.00 0.00 O ATOM 1408 CB LYS A 90 5.204 -8.313 -2.499 1.00 0.00 C ATOM 1409 CG LYS A 90 4.632 -8.468 -1.113 1.00 0.00 C ATOM 1410 CD LYS A 90 5.318 -7.539 -0.131 1.00 0.00 C ATOM 1411 CE LYS A 90 4.947 -7.878 1.297 1.00 0.00 C ATOM 1412 NZ LYS A 90 5.607 -6.969 2.272 1.00 0.00 N ATOM 0 H LYS A 90 5.824 -9.435 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 90 5.075 -10.372 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.269 -8.090 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.732 -7.463 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.563 -8.256 -1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.747 -9.500 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.399 -7.609 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.039 -6.508 -0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.865 -7.814 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.231 -8.908 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.768 -7.476 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.519 -6.649 1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.997 -6.145 2.446 1.00 0.00 H new ATOM 1426 N MET A 91 2.570 -9.412 -3.249 1.00 0.00 N ATOM 1427 CA MET A 91 1.238 -9.793 -3.694 1.00 0.00 C ATOM 1428 C MET A 91 0.442 -8.608 -4.202 1.00 0.00 C ATOM 1429 O MET A 91 0.642 -7.469 -3.785 1.00 0.00 O ATOM 1430 CB MET A 91 0.438 -10.384 -2.536 1.00 0.00 C ATOM 1431 CG MET A 91 1.098 -11.553 -1.852 1.00 0.00 C ATOM 1432 SD MET A 91 2.225 -11.051 -0.532 1.00 0.00 S ATOM 1433 CE MET A 91 1.134 -10.074 0.496 1.00 0.00 C ATOM 0 H MET A 91 2.600 -8.991 -2.320 1.00 0.00 H new ATOM 0 HA MET A 91 1.386 -10.516 -4.496 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.259 -9.602 -1.798 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.536 -10.700 -2.908 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.330 -12.206 -1.438 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.648 -12.136 -2.590 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.638 -9.828 1.430 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.868 -9.155 -0.026 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.230 -10.644 0.711 1.00 0.00 H new ATOM 1443 N VAL A 92 -0.463 -8.909 -5.122 1.00 0.00 N ATOM 1444 CA VAL A 92 -1.337 -7.921 -5.713 1.00 0.00 C ATOM 1445 C VAL A 92 -2.744 -8.128 -5.201 1.00 0.00 C ATOM 1446 O VAL A 92 -3.222 -9.264 -5.108 1.00 0.00 O ATOM 1447 CB VAL A 92 -1.342 -8.008 -7.255 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -2.465 -7.176 -7.866 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -0.011 -7.552 -7.791 1.00 0.00 C ATOM 0 H VAL A 92 -0.608 -9.854 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.967 -6.935 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.516 -9.048 -7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.434 -7.264 -8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.426 -7.537 -7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.339 -6.131 -7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.016 -7.614 -8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.170 -6.521 -7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.779 -8.190 -7.395 1.00 0.00 H new ATOM 1459 N THR A 93 -3.395 -7.041 -4.849 1.00 0.00 N ATOM 1460 CA THR A 93 -4.769 -7.110 -4.407 1.00 0.00 C ATOM 1461 C THR A 93 -5.608 -6.076 -5.142 1.00 0.00 C ATOM 1462 O THR A 93 -5.350 -4.871 -5.074 1.00 0.00 O ATOM 1463 CB THR A 93 -4.899 -6.949 -2.870 1.00 0.00 C ATOM 1464 OG1 THR A 93 -6.277 -6.881 -2.488 1.00 0.00 O ATOM 1465 CG2 THR A 93 -4.160 -5.714 -2.370 1.00 0.00 C ATOM 0 H THR A 93 -2.996 -6.102 -4.860 1.00 0.00 H new ATOM 0 HA THR A 93 -5.146 -8.104 -4.648 1.00 0.00 H new ATOM 0 HB THR A 93 -4.442 -7.825 -2.410 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.342 -6.781 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.274 -5.635 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.102 -5.798 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.575 -4.825 -2.845 1.00 0.00 H new ATOM 1473 N THR A 94 -6.567 -6.567 -5.902 1.00 0.00 N ATOM 1474 CA THR A 94 -7.487 -5.713 -6.618 1.00 0.00 C ATOM 1475 C THR A 94 -8.783 -5.571 -5.837 1.00 0.00 C ATOM 1476 O THR A 94 -9.437 -6.569 -5.524 1.00 0.00 O ATOM 1477 CB THR A 94 -7.771 -6.283 -8.016 1.00 0.00 C ATOM 1478 OG1 THR A 94 -7.480 -7.689 -8.035 1.00 0.00 O ATOM 1479 CG2 THR A 94 -6.946 -5.574 -9.069 1.00 0.00 C ATOM 0 H THR A 94 -6.728 -7.565 -6.039 1.00 0.00 H new ATOM 0 HA THR A 94 -7.033 -4.729 -6.731 1.00 0.00 H new ATOM 0 HB THR A 94 -8.825 -6.125 -8.244 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.664 -8.049 -8.928 1.00 0.00 H new ATOM 0 HG21 THR A 94 -7.166 -5.997 -10.049 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.191 -4.512 -9.069 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.886 -5.702 -8.848 1.00 0.00 H new ATOM 1487 N PHE A 95 -9.162 -4.338 -5.543 1.00 0.00 N ATOM 1488 CA PHE A 95 -10.322 -4.076 -4.701 1.00 0.00 C ATOM 1489 C PHE A 95 -10.889 -2.698 -5.009 1.00 0.00 C ATOM 1490 O PHE A 95 -10.153 -1.801 -5.411 1.00 0.00 O ATOM 1491 CB PHE A 95 -9.953 -4.186 -3.213 1.00 0.00 C ATOM 1492 CG PHE A 95 -8.919 -3.196 -2.750 1.00 0.00 C ATOM 1493 CD1 PHE A 95 -7.567 -3.488 -2.842 1.00 0.00 C ATOM 1494 CD2 PHE A 95 -9.302 -1.976 -2.216 1.00 0.00 C ATOM 1495 CE1 PHE A 95 -6.618 -2.581 -2.411 1.00 0.00 C ATOM 1496 CE2 PHE A 95 -8.357 -1.066 -1.781 1.00 0.00 C ATOM 1497 CZ PHE A 95 -7.013 -1.368 -1.881 1.00 0.00 C ATOM 0 H PHE A 95 -8.684 -3.500 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 95 -11.083 -4.826 -4.916 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.856 -4.054 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.586 -5.193 -3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.252 -4.435 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.352 -1.733 -2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.568 -2.820 -2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.669 -0.120 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.272 -0.657 -1.545 1.00 0.00 H new ATOM 1507 N LYS A 96 -12.199 -2.540 -4.828 1.00 0.00 N ATOM 1508 CA LYS A 96 -12.903 -1.310 -5.192 1.00 0.00 C ATOM 1509 C LYS A 96 -12.650 -0.909 -6.646 1.00 0.00 C ATOM 1510 O LYS A 96 -12.820 0.250 -7.022 1.00 0.00 O ATOM 1511 CB LYS A 96 -12.525 -0.176 -4.262 1.00 0.00 C ATOM 1512 CG LYS A 96 -13.198 -0.296 -2.914 1.00 0.00 C ATOM 1513 CD LYS A 96 -12.991 0.951 -2.104 1.00 0.00 C ATOM 1514 CE LYS A 96 -13.702 2.141 -2.732 1.00 0.00 C ATOM 1515 NZ LYS A 96 -13.442 3.415 -2.007 1.00 0.00 N ATOM 0 H LYS A 96 -12.802 -3.258 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.969 -1.513 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.443 -0.164 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.799 0.774 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.265 -0.475 -3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.796 -1.155 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.363 0.795 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.925 1.162 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.380 2.245 -3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.775 1.950 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.950 4.192 -2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.773 3.329 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.422 3.615 -2.012 1.00 0.00 H new ATOM 1529 N GLY A 97 -12.249 -1.879 -7.459 1.00 0.00 N ATOM 1530 CA GLY A 97 -11.960 -1.616 -8.856 1.00 0.00 C ATOM 1531 C GLY A 97 -10.544 -1.112 -9.078 1.00 0.00 C ATOM 1532 O GLY A 97 -10.132 -0.888 -10.218 1.00 0.00 O ATOM 0 H GLY A 97 -12.118 -2.849 -7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.111 -2.529 -9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.667 -0.879 -9.236 1.00 0.00 H new ATOM 1536 N ILE A 98 -9.792 -0.936 -7.998 1.00 0.00 N ATOM 1537 CA ILE A 98 -8.436 -0.436 -8.099 1.00 0.00 C ATOM 1538 C ILE A 98 -7.458 -1.588 -7.966 1.00 0.00 C ATOM 1539 O ILE A 98 -7.741 -2.583 -7.295 1.00 0.00 O ATOM 1540 CB ILE A 98 -8.121 0.685 -7.068 1.00 0.00 C ATOM 1541 CG1 ILE A 98 -7.866 0.136 -5.656 1.00 0.00 C ATOM 1542 CG2 ILE A 98 -9.259 1.692 -7.026 1.00 0.00 C ATOM 1543 CD1 ILE A 98 -6.408 -0.150 -5.359 1.00 0.00 C ATOM 0 H ILE A 98 -10.102 -1.133 -7.046 1.00 0.00 H new ATOM 0 HA ILE A 98 -8.330 0.024 -9.082 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.203 1.171 -7.400 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.241 0.853 -4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.439 -0.782 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.028 2.472 -6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -9.386 2.139 -8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -10.180 1.188 -6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.312 -0.534 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.032 -0.891 -6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.830 0.769 -5.455 1.00 0.00 H new ATOM 1555 N LYS A 99 -6.326 -1.472 -8.625 1.00 0.00 N ATOM 1556 CA LYS A 99 -5.363 -2.553 -8.655 1.00 0.00 C ATOM 1557 C LYS A 99 -4.121 -2.162 -7.860 1.00 0.00 C ATOM 1558 O LYS A 99 -3.592 -1.074 -8.040 1.00 0.00 O ATOM 1559 CB LYS A 99 -4.981 -2.885 -10.104 1.00 0.00 C ATOM 1560 CG LYS A 99 -6.143 -2.862 -11.090 1.00 0.00 C ATOM 1561 CD LYS A 99 -6.378 -1.470 -11.651 1.00 0.00 C ATOM 1562 CE LYS A 99 -7.603 -1.426 -12.552 1.00 0.00 C ATOM 1563 NZ LYS A 99 -7.493 -2.375 -13.692 1.00 0.00 N ATOM 0 H LYS A 99 -6.049 -0.641 -9.147 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.811 -3.438 -8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.225 -2.175 -10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.522 -3.873 -10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.940 -3.554 -11.907 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.048 -3.212 -10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.504 -0.764 -10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.501 -1.152 -12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.491 -1.664 -11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.735 -0.414 -12.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.262 -2.195 -14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.577 -2.244 -14.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.564 -3.351 -13.339 1.00 0.00 H new ATOM 1577 N SER A 100 -3.662 -3.030 -6.972 1.00 0.00 N ATOM 1578 CA SER A 100 -2.512 -2.705 -6.139 1.00 0.00 C ATOM 1579 C SER A 100 -1.488 -3.841 -6.135 1.00 0.00 C ATOM 1580 O SER A 100 -1.782 -4.949 -5.696 1.00 0.00 O ATOM 1581 CB SER A 100 -2.980 -2.399 -4.717 1.00 0.00 C ATOM 1582 OG SER A 100 -1.903 -1.983 -3.892 1.00 0.00 O ATOM 0 H SER A 100 -4.061 -3.954 -6.809 1.00 0.00 H new ATOM 0 HA SER A 100 -2.022 -1.825 -6.555 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.741 -1.619 -4.744 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.447 -3.286 -4.288 1.00 0.00 H new ATOM 0 HG SER A 100 -2.236 -1.793 -2.990 1.00 0.00 H new ATOM 1588 N VAL A 101 -0.289 -3.548 -6.627 1.00 0.00 N ATOM 1589 CA VAL A 101 0.794 -4.523 -6.695 1.00 0.00 C ATOM 1590 C VAL A 101 1.871 -4.212 -5.647 1.00 0.00 C ATOM 1591 O VAL A 101 2.189 -3.051 -5.382 1.00 0.00 O ATOM 1592 CB VAL A 101 1.421 -4.619 -8.115 1.00 0.00 C ATOM 1593 CG1 VAL A 101 0.742 -3.677 -9.085 1.00 0.00 C ATOM 1594 CG2 VAL A 101 2.918 -4.394 -8.079 1.00 0.00 C ATOM 0 H VAL A 101 -0.040 -2.628 -6.990 1.00 0.00 H new ATOM 0 HA VAL A 101 0.358 -5.497 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 101 1.254 -5.634 -8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.205 -3.770 -10.067 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.316 -3.929 -9.157 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.847 -2.652 -8.730 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.322 -4.469 -9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.127 -3.403 -7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.384 -5.149 -7.445 1.00 0.00 H new ATOM 1604 N THR A 102 2.405 -5.253 -5.037 1.00 0.00 N ATOM 1605 CA THR A 102 3.408 -5.130 -4.002 1.00 0.00 C ATOM 1606 C THR A 102 4.586 -6.003 -4.373 1.00 0.00 C ATOM 1607 O THR A 102 4.391 -7.075 -4.927 1.00 0.00 O ATOM 1608 CB THR A 102 2.891 -5.553 -2.615 1.00 0.00 C ATOM 1609 OG1 THR A 102 1.483 -5.307 -2.512 1.00 0.00 O ATOM 1610 CG2 THR A 102 3.607 -4.775 -1.523 1.00 0.00 C ATOM 0 H THR A 102 2.150 -6.217 -5.250 1.00 0.00 H new ATOM 0 HA THR A 102 3.689 -4.079 -3.935 1.00 0.00 H new ATOM 0 HB THR A 102 3.086 -6.618 -2.492 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.996 -5.962 -3.055 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.230 -5.085 -0.548 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.678 -4.972 -1.578 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.427 -3.709 -1.659 1.00 0.00 H new ATOM 1618 N GLU A 103 5.789 -5.529 -4.149 1.00 0.00 N ATOM 1619 CA GLU A 103 6.969 -6.324 -4.406 1.00 0.00 C ATOM 1620 C GLU A 103 7.888 -6.333 -3.184 1.00 0.00 C ATOM 1621 O GLU A 103 8.101 -5.301 -2.555 1.00 0.00 O ATOM 1622 CB GLU A 103 7.686 -5.750 -5.617 1.00 0.00 C ATOM 1623 CG GLU A 103 7.907 -6.749 -6.728 1.00 0.00 C ATOM 1624 CD GLU A 103 9.021 -6.343 -7.670 1.00 0.00 C ATOM 1625 OE1 GLU A 103 10.203 -6.545 -7.324 1.00 0.00 O ATOM 1626 OE2 GLU A 103 8.723 -5.835 -8.767 1.00 0.00 O ATOM 0 H GLU A 103 5.978 -4.594 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 103 6.682 -7.356 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.108 -4.911 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.651 -5.353 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.140 -7.722 -6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.983 -6.866 -7.294 1.00 0.00 H new ATOM 1633 N PHE A 104 8.390 -7.510 -2.830 1.00 0.00 N ATOM 1634 CA PHE A 104 9.312 -7.647 -1.710 1.00 0.00 C ATOM 1635 C PHE A 104 10.741 -7.758 -2.228 1.00 0.00 C ATOM 1636 O PHE A 104 11.131 -8.788 -2.771 1.00 0.00 O ATOM 1637 CB PHE A 104 8.968 -8.901 -0.909 1.00 0.00 C ATOM 1638 CG PHE A 104 9.454 -8.869 0.513 1.00 0.00 C ATOM 1639 CD1 PHE A 104 10.770 -9.174 0.816 1.00 0.00 C ATOM 1640 CD2 PHE A 104 8.590 -8.545 1.548 1.00 0.00 C ATOM 1641 CE1 PHE A 104 11.218 -9.151 2.123 1.00 0.00 C ATOM 1642 CE2 PHE A 104 9.032 -8.518 2.856 1.00 0.00 C ATOM 1643 CZ PHE A 104 10.348 -8.825 3.144 1.00 0.00 C ATOM 0 H PHE A 104 8.173 -8.386 -3.305 1.00 0.00 H new ATOM 0 HA PHE A 104 9.225 -6.770 -1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.886 -9.035 -0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 104 9.397 -9.769 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.454 -9.433 0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.559 -8.311 1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 104 12.248 -9.388 2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.350 -8.257 3.652 1.00 0.00 H new ATOM 0 HZ PHE A 104 10.696 -8.810 4.166 1.00 0.00 H new ATOM 1653 N ASN A 105 11.514 -6.705 -2.055 1.00 0.00 N ATOM 1654 CA ASN A 105 12.872 -6.663 -2.578 1.00 0.00 C ATOM 1655 C ASN A 105 13.878 -6.588 -1.439 1.00 0.00 C ATOM 1656 O ASN A 105 14.149 -5.506 -0.926 1.00 0.00 O ATOM 1657 CB ASN A 105 13.028 -5.442 -3.487 1.00 0.00 C ATOM 1658 CG ASN A 105 11.957 -5.384 -4.558 1.00 0.00 C ATOM 1659 OD1 ASN A 105 10.858 -4.878 -4.326 1.00 0.00 O ATOM 1660 ND2 ASN A 105 12.268 -5.884 -5.738 1.00 0.00 N ATOM 0 H ASN A 105 11.228 -5.863 -1.556 1.00 0.00 H new ATOM 0 HA ASN A 105 13.060 -7.572 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.986 -4.535 -2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.010 -5.466 -3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.588 -5.860 -6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 105 13.189 -6.295 -5.891 1.00 0.00 H new ATOM 1667 N GLY A 106 14.448 -7.725 -1.064 1.00 0.00 N ATOM 1668 CA GLY A 106 15.391 -7.751 0.040 1.00 0.00 C ATOM 1669 C GLY A 106 14.773 -7.274 1.342 1.00 0.00 C ATOM 1670 O GLY A 106 14.078 -8.029 2.020 1.00 0.00 O ATOM 0 H GLY A 106 14.276 -8.629 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.766 -8.766 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.248 -7.123 -0.203 1.00 0.00 H new ATOM 1674 N ASP A 107 15.038 -6.021 1.683 1.00 0.00 N ATOM 1675 CA ASP A 107 14.474 -5.390 2.877 1.00 0.00 C ATOM 1676 C ASP A 107 13.572 -4.225 2.492 1.00 0.00 C ATOM 1677 O ASP A 107 12.952 -3.587 3.344 1.00 0.00 O ATOM 1678 CB ASP A 107 15.587 -4.870 3.776 1.00 0.00 C ATOM 1679 CG ASP A 107 16.430 -3.801 3.100 1.00 0.00 C ATOM 1680 OD1 ASP A 107 17.132 -4.117 2.118 1.00 0.00 O ATOM 1681 OD2 ASP A 107 16.385 -2.638 3.543 1.00 0.00 O ATOM 0 H ASP A 107 15.650 -5.410 1.142 1.00 0.00 H new ATOM 0 HA ASP A 107 13.891 -6.142 3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.152 -4.462 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.228 -5.700 4.072 1.00 0.00 H new ATOM 1686 N THR A 108 13.513 -3.953 1.205 1.00 0.00 N ATOM 1687 CA THR A 108 12.731 -2.855 0.680 1.00 0.00 C ATOM 1688 C THR A 108 11.452 -3.380 0.018 1.00 0.00 C ATOM 1689 O THR A 108 11.374 -4.549 -0.360 1.00 0.00 O ATOM 1690 CB THR A 108 13.539 -2.046 -0.350 1.00 0.00 C ATOM 1691 OG1 THR A 108 14.421 -2.903 -1.092 1.00 0.00 O ATOM 1692 CG2 THR A 108 14.340 -0.958 0.327 1.00 0.00 C ATOM 0 H THR A 108 14.008 -4.489 0.492 1.00 0.00 H new ATOM 0 HA THR A 108 12.470 -2.204 1.514 1.00 0.00 H new ATOM 0 HB THR A 108 12.830 -1.585 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 108 13.981 -3.764 -1.254 1.00 0.00 H new ATOM 0 HG21 THR A 108 14.902 -0.400 -0.422 1.00 0.00 H new ATOM 0 HG22 THR A 108 13.665 -0.282 0.851 1.00 0.00 H new ATOM 0 HG23 THR A 108 15.032 -1.406 1.041 1.00 0.00 H new ATOM 1700 N ILE A 109 10.451 -2.525 -0.108 1.00 0.00 N ATOM 1701 CA ILE A 109 9.192 -2.910 -0.736 1.00 0.00 C ATOM 1702 C ILE A 109 8.931 -2.042 -1.964 1.00 0.00 C ATOM 1703 O ILE A 109 9.303 -0.879 -1.987 1.00 0.00 O ATOM 1704 CB ILE A 109 7.996 -2.758 0.236 1.00 0.00 C ATOM 1705 CG1 ILE A 109 8.317 -3.382 1.599 1.00 0.00 C ATOM 1706 CG2 ILE A 109 6.740 -3.384 -0.345 1.00 0.00 C ATOM 1707 CD1 ILE A 109 7.098 -3.614 2.470 1.00 0.00 C ATOM 0 H ILE A 109 10.483 -1.558 0.216 1.00 0.00 H new ATOM 0 HA ILE A 109 9.282 -3.958 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 109 7.816 -1.692 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.825 -4.333 1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 109 9.013 -2.733 2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.915 -3.264 0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.490 -2.893 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.912 -4.445 -0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.406 -4.057 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.600 -2.663 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.410 -4.289 1.961 1.00 0.00 H new ATOM 1719 N THR A 110 8.312 -2.608 -2.980 1.00 0.00 N ATOM 1720 CA THR A 110 7.900 -1.834 -4.139 1.00 0.00 C ATOM 1721 C THR A 110 6.380 -1.901 -4.298 1.00 0.00 C ATOM 1722 O THR A 110 5.824 -2.943 -4.623 1.00 0.00 O ATOM 1723 CB THR A 110 8.573 -2.349 -5.425 1.00 0.00 C ATOM 1724 OG1 THR A 110 9.968 -2.583 -5.190 1.00 0.00 O ATOM 1725 CG2 THR A 110 8.422 -1.324 -6.512 1.00 0.00 C ATOM 0 H THR A 110 8.082 -3.601 -3.029 1.00 0.00 H new ATOM 0 HA THR A 110 8.210 -0.801 -3.979 1.00 0.00 H new ATOM 0 HB THR A 110 8.097 -3.282 -5.726 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.075 -3.367 -4.613 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.898 -1.687 -7.423 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.363 -1.148 -6.701 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.895 -0.392 -6.202 1.00 0.00 H new ATOM 1733 N ASN A 111 5.720 -0.787 -4.060 1.00 0.00 N ATOM 1734 CA ASN A 111 4.271 -0.704 -4.151 1.00 0.00 C ATOM 1735 C ASN A 111 3.887 -0.061 -5.462 1.00 0.00 C ATOM 1736 O ASN A 111 4.264 1.070 -5.724 1.00 0.00 O ATOM 1737 CB ASN A 111 3.705 0.163 -3.020 1.00 0.00 C ATOM 1738 CG ASN A 111 2.186 0.115 -2.938 1.00 0.00 C ATOM 1739 OD1 ASN A 111 1.551 1.085 -2.525 1.00 0.00 O ATOM 1740 ND2 ASN A 111 1.592 -1.008 -3.322 1.00 0.00 N ATOM 0 H ASN A 111 6.170 0.090 -3.797 1.00 0.00 H new ATOM 0 HA ASN A 111 3.868 -1.714 -4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.125 -0.168 -2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.023 1.195 -3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.576 -1.088 -3.280 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.152 -1.791 -3.659 1.00 0.00 H new ATOM 1747 N THR A 112 3.158 -0.766 -6.292 1.00 0.00 N ATOM 1748 CA THR A 112 2.621 -0.149 -7.479 1.00 0.00 C ATOM 1749 C THR A 112 1.103 -0.169 -7.399 1.00 0.00 C ATOM 1750 O THR A 112 0.484 -1.219 -7.467 1.00 0.00 O ATOM 1751 CB THR A 112 3.083 -0.882 -8.754 1.00 0.00 C ATOM 1752 OG1 THR A 112 4.511 -1.021 -8.753 1.00 0.00 O ATOM 1753 CG2 THR A 112 2.652 -0.125 -9.993 1.00 0.00 C ATOM 0 H THR A 112 2.926 -1.752 -6.171 1.00 0.00 H new ATOM 0 HA THR A 112 2.986 0.877 -7.534 1.00 0.00 H new ATOM 0 HB THR A 112 2.621 -1.869 -8.765 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.795 -1.489 -9.566 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.988 -0.660 -10.881 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.565 -0.042 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.092 0.872 -9.982 1.00 0.00 H new ATOM 1761 N MET A 113 0.508 0.985 -7.253 1.00 0.00 N ATOM 1762 CA MET A 113 -0.933 1.084 -7.239 1.00 0.00 C ATOM 1763 C MET A 113 -1.424 1.600 -8.575 1.00 0.00 C ATOM 1764 O MET A 113 -0.800 2.454 -9.189 1.00 0.00 O ATOM 1765 CB MET A 113 -1.416 2.016 -6.134 1.00 0.00 C ATOM 1766 CG MET A 113 -2.919 2.191 -6.148 1.00 0.00 C ATOM 1767 SD MET A 113 -3.488 3.505 -5.052 1.00 0.00 S ATOM 1768 CE MET A 113 -5.262 3.337 -5.224 1.00 0.00 C ATOM 0 H MET A 113 0.997 1.873 -7.142 1.00 0.00 H new ATOM 0 HA MET A 113 -1.335 0.088 -7.051 1.00 0.00 H new ATOM 0 HB2 MET A 113 -1.107 1.620 -5.167 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.938 2.989 -6.247 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.244 2.408 -7.165 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.391 1.253 -5.856 1.00 0.00 H new ATOM 0 HE1 MET A 113 -5.736 4.306 -5.068 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.498 2.975 -6.225 1.00 0.00 H new ATOM 0 HE3 MET A 113 -5.634 2.628 -4.484 1.00 0.00 H new ATOM 1778 N THR A 114 -2.513 1.044 -9.042 1.00 0.00 N ATOM 1779 CA THR A 114 -3.101 1.473 -10.288 1.00 0.00 C ATOM 1780 C THR A 114 -4.576 1.814 -10.114 1.00 0.00 C ATOM 1781 O THR A 114 -5.373 0.963 -9.711 1.00 0.00 O ATOM 1782 CB THR A 114 -2.977 0.375 -11.340 1.00 0.00 C ATOM 1783 OG1 THR A 114 -1.739 -0.333 -11.179 1.00 0.00 O ATOM 1784 CG2 THR A 114 -3.036 0.980 -12.721 1.00 0.00 C ATOM 0 H THR A 114 -3.014 0.288 -8.575 1.00 0.00 H new ATOM 0 HA THR A 114 -2.563 2.364 -10.612 1.00 0.00 H new ATOM 0 HB THR A 114 -3.804 -0.324 -11.214 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.673 -1.036 -11.859 1.00 0.00 H new ATOM 0 HG21 THR A 114 -2.947 0.191 -13.468 1.00 0.00 H new ATOM 0 HG22 THR A 114 -3.986 1.497 -12.851 1.00 0.00 H new ATOM 0 HG23 THR A 114 -2.217 1.689 -12.843 1.00 0.00 H new ATOM 1792 N LEU A 115 -4.944 3.048 -10.408 1.00 0.00 N ATOM 1793 CA LEU A 115 -6.348 3.407 -10.479 1.00 0.00 C ATOM 1794 C LEU A 115 -6.676 3.769 -11.913 1.00 0.00 C ATOM 1795 O LEU A 115 -6.346 4.853 -12.369 1.00 0.00 O ATOM 1796 CB LEU A 115 -6.659 4.590 -9.563 1.00 0.00 C ATOM 1797 CG LEU A 115 -8.023 4.527 -8.867 1.00 0.00 C ATOM 1798 CD1 LEU A 115 -8.435 5.900 -8.393 1.00 0.00 C ATOM 1799 CD2 LEU A 115 -9.078 3.963 -9.793 1.00 0.00 C ATOM 0 H LEU A 115 -4.296 3.812 -10.600 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.953 2.562 -10.150 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.882 4.655 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.609 5.508 -10.149 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.931 3.866 -8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.406 5.839 -7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.694 6.279 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.503 6.574 -9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.036 3.929 -9.275 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.165 4.597 -10.675 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.794 2.956 -10.097 1.00 0.00 H new ATOM 1811 N GLY A 116 -7.383 2.877 -12.591 1.00 0.00 N ATOM 1812 CA GLY A 116 -7.699 3.067 -13.994 1.00 0.00 C ATOM 1813 C GLY A 116 -6.512 3.543 -14.821 1.00 0.00 C ATOM 1814 O GLY A 116 -5.672 2.745 -15.235 1.00 0.00 O ATOM 0 H GLY A 116 -7.748 2.014 -12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.067 2.128 -14.407 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.508 3.792 -14.082 1.00 0.00 H new ATOM 1818 N ASP A 117 -6.441 4.852 -15.045 1.00 0.00 N ATOM 1819 CA ASP A 117 -5.364 5.449 -15.826 1.00 0.00 C ATOM 1820 C ASP A 117 -4.193 5.875 -14.942 1.00 0.00 C ATOM 1821 O ASP A 117 -3.033 5.748 -15.343 1.00 0.00 O ATOM 1822 CB ASP A 117 -5.886 6.652 -16.611 1.00 0.00 C ATOM 1823 CG ASP A 117 -4.773 7.514 -17.179 1.00 0.00 C ATOM 1824 OD1 ASP A 117 -4.150 7.114 -18.185 1.00 0.00 O ATOM 1825 OD2 ASP A 117 -4.514 8.601 -16.624 1.00 0.00 O ATOM 0 H ASP A 117 -7.123 5.524 -14.693 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.002 4.690 -16.520 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.519 6.301 -17.426 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.513 7.260 -15.960 1.00 0.00 H new ATOM 1830 N ILE A 118 -4.486 6.349 -13.735 1.00 0.00 N ATOM 1831 CA ILE A 118 -3.433 6.852 -12.857 1.00 0.00 C ATOM 1832 C ILE A 118 -2.647 5.713 -12.237 1.00 0.00 C ATOM 1833 O ILE A 118 -3.212 4.823 -11.597 1.00 0.00 O ATOM 1834 CB ILE A 118 -3.955 7.762 -11.736 1.00 0.00 C ATOM 1835 CG1 ILE A 118 -5.196 7.169 -11.123 1.00 0.00 C ATOM 1836 CG2 ILE A 118 -4.257 9.122 -12.278 1.00 0.00 C ATOM 1837 CD1 ILE A 118 -5.792 8.002 -10.048 1.00 0.00 C ATOM 0 H ILE A 118 -5.428 6.396 -13.346 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.786 7.451 -13.498 1.00 0.00 H new ATOM 0 HB ILE A 118 -3.186 7.848 -10.968 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.939 7.017 -11.906 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.955 6.187 -10.717 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.627 9.760 -11.475 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.350 9.556 -12.698 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.015 9.043 -13.057 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.682 7.509 -9.656 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -5.067 8.133 -9.245 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.066 8.976 -10.452 1.00 0.00 H new ATOM 1849 N VAL A 119 -1.349 5.731 -12.442 1.00 0.00 N ATOM 1850 CA VAL A 119 -0.487 4.758 -11.814 1.00 0.00 C ATOM 1851 C VAL A 119 0.263 5.434 -10.673 1.00 0.00 C ATOM 1852 O VAL A 119 0.598 6.609 -10.756 1.00 0.00 O ATOM 1853 CB VAL A 119 0.489 4.102 -12.822 1.00 0.00 C ATOM 1854 CG1 VAL A 119 1.740 4.934 -13.024 1.00 0.00 C ATOM 1855 CG2 VAL A 119 0.827 2.685 -12.386 1.00 0.00 C ATOM 0 H VAL A 119 -0.869 6.407 -13.037 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.100 3.947 -11.421 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.013 4.053 -13.789 1.00 0.00 H new ATOM 0 HG11 VAL A 119 2.396 4.437 -13.738 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.465 5.917 -13.407 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.259 5.047 -12.072 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.514 2.237 -13.104 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.296 2.709 -11.402 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.086 2.091 -12.338 1.00 0.00 H new ATOM 1865 N TYR A 120 0.459 4.701 -9.600 1.00 0.00 N ATOM 1866 CA TYR A 120 1.016 5.235 -8.367 1.00 0.00 C ATOM 1867 C TYR A 120 2.036 4.252 -7.795 1.00 0.00 C ATOM 1868 O TYR A 120 1.828 3.052 -7.852 1.00 0.00 O ATOM 1869 CB TYR A 120 -0.127 5.484 -7.373 1.00 0.00 C ATOM 1870 CG TYR A 120 0.329 5.913 -6.007 1.00 0.00 C ATOM 1871 CD1 TYR A 120 0.991 7.115 -5.820 1.00 0.00 C ATOM 1872 CD2 TYR A 120 0.091 5.113 -4.902 1.00 0.00 C ATOM 1873 CE1 TYR A 120 1.409 7.509 -4.571 1.00 0.00 C ATOM 1874 CE2 TYR A 120 0.505 5.499 -3.650 1.00 0.00 C ATOM 1875 CZ TYR A 120 1.163 6.695 -3.487 1.00 0.00 C ATOM 1876 OH TYR A 120 1.569 7.075 -2.231 1.00 0.00 O ATOM 0 H TYR A 120 0.236 3.707 -9.553 1.00 0.00 H new ATOM 0 HA TYR A 120 1.527 6.178 -8.561 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -0.788 6.249 -7.780 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -0.716 4.572 -7.278 1.00 0.00 H new ATOM 0 HD1 TYR A 120 1.182 7.754 -6.670 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -0.427 4.173 -5.026 1.00 0.00 H new ATOM 0 HE1 TYR A 120 1.926 8.448 -4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.314 4.865 -2.797 1.00 0.00 H new ATOM 0 HH TYR A 120 0.785 7.297 -1.687 1.00 0.00 H new ATOM 1886 N LYS A 121 3.157 4.737 -7.287 1.00 0.00 N ATOM 1887 CA LYS A 121 4.176 3.830 -6.767 1.00 0.00 C ATOM 1888 C LYS A 121 4.690 4.281 -5.411 1.00 0.00 C ATOM 1889 O LYS A 121 4.699 5.471 -5.109 1.00 0.00 O ATOM 1890 CB LYS A 121 5.364 3.780 -7.704 1.00 0.00 C ATOM 1891 CG LYS A 121 6.150 2.491 -7.672 1.00 0.00 C ATOM 1892 CD LYS A 121 7.586 2.775 -7.296 1.00 0.00 C ATOM 1893 CE LYS A 121 8.546 1.914 -8.073 1.00 0.00 C ATOM 1894 NZ LYS A 121 8.397 2.107 -9.542 1.00 0.00 N ATOM 0 H LYS A 121 3.385 5.729 -7.222 1.00 0.00 H new ATOM 0 HA LYS A 121 3.706 2.851 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.012 3.948 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 121 6.035 4.603 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.706 1.802 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.109 2.005 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.809 3.826 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.724 2.602 -6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.568 2.151 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.377 0.866 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.323 1.994 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.734 1.400 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.030 3.062 -9.731 1.00 0.00 H new ATOM 1908 N ARG A 122 5.113 3.317 -4.605 1.00 0.00 N ATOM 1909 CA ARG A 122 5.880 3.591 -3.404 1.00 0.00 C ATOM 1910 C ARG A 122 7.009 2.577 -3.269 1.00 0.00 C ATOM 1911 O ARG A 122 6.874 1.440 -3.689 1.00 0.00 O ATOM 1912 CB ARG A 122 5.031 3.530 -2.135 1.00 0.00 C ATOM 1913 CG ARG A 122 3.654 4.144 -2.239 1.00 0.00 C ATOM 1914 CD ARG A 122 2.881 3.944 -0.944 1.00 0.00 C ATOM 1915 NE ARG A 122 1.528 4.478 -1.021 1.00 0.00 N ATOM 1916 CZ ARG A 122 0.454 3.850 -0.546 1.00 0.00 C ATOM 1917 NH1 ARG A 122 0.584 2.692 0.090 1.00 0.00 N ATOM 1918 NH2 ARG A 122 -0.749 4.379 -0.710 1.00 0.00 N ATOM 0 H ARG A 122 4.933 2.326 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 122 6.269 4.604 -3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.922 2.486 -1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.573 4.031 -1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.740 5.208 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 122 3.109 3.692 -3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.837 2.880 -0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.415 4.428 -0.126 1.00 0.00 H new ATOM 0 HE ARG A 122 1.395 5.387 -1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.509 2.280 0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.241 2.214 0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.853 5.267 -1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.572 3.898 -0.346 1.00 0.00 H new ATOM 1932 N VAL A 123 8.126 3.000 -2.721 1.00 0.00 N ATOM 1933 CA VAL A 123 9.205 2.096 -2.379 1.00 0.00 C ATOM 1934 C VAL A 123 9.428 2.141 -0.870 1.00 0.00 C ATOM 1935 O VAL A 123 9.764 3.188 -0.321 1.00 0.00 O ATOM 1936 CB VAL A 123 10.504 2.470 -3.108 1.00 0.00 C ATOM 1937 CG1 VAL A 123 11.605 1.456 -2.822 1.00 0.00 C ATOM 1938 CG2 VAL A 123 10.231 2.581 -4.599 1.00 0.00 C ATOM 0 H VAL A 123 8.313 3.978 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 123 8.928 1.089 -2.691 1.00 0.00 H new ATOM 0 HB VAL A 123 10.854 3.435 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.513 1.746 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.803 1.426 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 123 11.288 0.469 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 123 11.152 2.846 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.865 1.625 -4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.480 3.351 -4.775 1.00 0.00 H new ATOM 1948 N SER A 124 9.247 1.017 -0.212 1.00 0.00 N ATOM 1949 CA SER A 124 9.301 0.950 1.240 1.00 0.00 C ATOM 1950 C SER A 124 10.659 0.451 1.718 1.00 0.00 C ATOM 1951 O SER A 124 11.340 -0.283 1.016 1.00 0.00 O ATOM 1952 CB SER A 124 8.189 0.026 1.738 1.00 0.00 C ATOM 1953 OG SER A 124 6.919 0.647 1.645 1.00 0.00 O ATOM 0 H SER A 124 9.058 0.122 -0.664 1.00 0.00 H new ATOM 0 HA SER A 124 9.157 1.951 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 124 8.189 -0.894 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.383 -0.254 2.773 1.00 0.00 H new ATOM 0 HG SER A 124 6.229 0.031 1.969 1.00 0.00 H new ATOM 1959 N LYS A 125 11.048 0.883 2.903 1.00 0.00 N ATOM 1960 CA LYS A 125 12.312 0.496 3.506 1.00 0.00 C ATOM 1961 C LYS A 125 12.066 -0.064 4.885 1.00 0.00 C ATOM 1962 O LYS A 125 11.122 0.319 5.563 1.00 0.00 O ATOM 1963 CB LYS A 125 13.213 1.721 3.601 1.00 0.00 C ATOM 1964 CG LYS A 125 14.605 1.436 4.114 1.00 0.00 C ATOM 1965 CD LYS A 125 15.267 0.362 3.288 1.00 0.00 C ATOM 1966 CE LYS A 125 16.777 0.533 3.245 1.00 0.00 C ATOM 1967 NZ LYS A 125 17.429 -0.481 2.377 1.00 0.00 N ATOM 0 H LYS A 125 10.493 1.516 3.479 1.00 0.00 H new ATOM 0 HA LYS A 125 12.794 -0.266 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 125 13.289 2.178 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.741 2.454 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.203 2.347 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.557 1.122 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.024 -0.617 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.869 0.387 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 125 17.018 1.531 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 125 17.179 0.457 4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 18.459 -0.338 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.207 -1.434 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 17.078 -0.382 1.403 1.00 0.00 H new ATOM 1981 N ARG A 126 12.910 -0.979 5.284 1.00 0.00 N ATOM 1982 CA ARG A 126 12.825 -1.546 6.613 1.00 0.00 C ATOM 1983 C ARG A 126 13.220 -0.509 7.657 1.00 0.00 C ATOM 1984 O ARG A 126 14.047 0.368 7.390 1.00 0.00 O ATOM 1985 CB ARG A 126 13.740 -2.740 6.729 1.00 0.00 C ATOM 1986 CG ARG A 126 15.173 -2.333 6.586 1.00 0.00 C ATOM 1987 CD ARG A 126 16.091 -3.523 6.685 1.00 0.00 C ATOM 1988 NE ARG A 126 15.890 -4.245 7.945 1.00 0.00 N ATOM 1989 CZ ARG A 126 16.758 -5.107 8.477 1.00 0.00 C ATOM 1990 NH1 ARG A 126 17.913 -5.368 7.875 1.00 0.00 N ATOM 1991 NH2 ARG A 126 16.471 -5.700 9.630 1.00 0.00 N ATOM 0 H ARG A 126 13.667 -1.351 4.710 1.00 0.00 H new ATOM 0 HA ARG A 126 11.795 -1.859 6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.590 -3.225 7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.488 -3.472 5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.319 -1.837 5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.427 -1.609 7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.912 -4.195 5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 126 17.127 -3.193 6.613 1.00 0.00 H new ATOM 0 HE ARG A 126 15.022 -4.076 8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 126 18.145 -4.907 6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.568 -6.029 8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.591 -5.495 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.130 -6.360 10.042 1.00 0.00 H new ATOM 2005 N ILE A 127 12.633 -0.601 8.834 1.00 0.00 N ATOM 2006 CA ILE A 127 13.041 0.238 9.943 1.00 0.00 C ATOM 2007 C ILE A 127 13.347 -0.619 11.167 1.00 0.00 C ATOM 2008 O ILE A 127 14.340 -1.371 11.128 1.00 0.00 O ATOM 2009 CB ILE A 127 11.984 1.288 10.309 1.00 0.00 C ATOM 2010 CG1 ILE A 127 10.595 0.760 10.006 1.00 0.00 C ATOM 2011 CG2 ILE A 127 12.243 2.590 9.582 1.00 0.00 C ATOM 2012 CD1 ILE A 127 9.526 1.744 10.327 1.00 0.00 C ATOM 2013 OXT ILE A 127 12.588 -0.550 12.157 1.00 0.00 O ATOM 0 H ILE A 127 11.873 -1.247 9.047 1.00 0.00 H new ATOM 0 HA ILE A 127 13.937 0.769 9.622 1.00 0.00 H new ATOM 0 HB ILE A 127 12.049 1.489 11.378 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.534 0.494 8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.425 -0.154 10.576 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.481 3.319 9.858 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.226 2.971 9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.209 2.419 8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 127 8.553 1.314 10.091 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.566 1.991 11.388 1.00 0.00 H new ATOM 0 HD13 ILE A 127 9.676 2.649 9.738 1.00 0.00 H new TER 2025 ILE A 127