USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 811 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 104 HIS : no HD1:sc= -5.74! C(o=-5.9!,f=-8.8!) USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.136 X(o=-5.9,f=-5.7) USER MOD Set 2.1: A 43 HIS :FLIP no HE2:sc= -4.76! C(o=-13!,f=-10!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -152:sc= -5.59! (180deg=-0.264) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.285 (180deg=-1.59!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.8!) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0.188 USER MOD Single : A 9 ASN : amide:sc= -2.67! C(o=-2.7!,f=-3.2!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0.176 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.261 USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0.002 (180deg=0.00151) USER MOD Single : A 51 TYR OH : rot 180:sc=-0.00905 USER MOD Single : A 53 SER OG : rot 78:sc= 0.38 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.0223 (180deg=-0.294) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 59 TYR OH : rot 15:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.414 K(o=-0.41,f=-1.9!) USER MOD Single : A 64 TYR OH : rot 15:sc= -1.12 USER MOD Single : A 72 ASN : amide:sc=-0.00117 K(o=-0.0012,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= -0.0114 (180deg=-0.205) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -95:sc= 0.519 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 105 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-1.1) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.784 -25.042 17.107 1.00 0.00 N ATOM 2 CA MET A 1 9.059 -24.063 18.194 1.00 0.00 C ATOM 3 C MET A 1 7.958 -24.137 19.257 1.00 0.00 C ATOM 4 O MET A 1 6.985 -24.850 19.116 1.00 0.00 O ATOM 5 CB MET A 1 9.109 -22.649 17.606 1.00 0.00 C ATOM 6 CG MET A 1 7.882 -22.414 16.718 1.00 0.00 C ATOM 7 SD MET A 1 8.126 -23.238 15.124 1.00 0.00 S ATOM 8 CE MET A 1 6.382 -23.350 14.656 1.00 0.00 C ATOM 0 H1 MET A 1 9.520 -25.777 17.107 1.00 0.00 H new ATOM 0 H2 MET A 1 7.855 -25.483 17.263 1.00 0.00 H new ATOM 0 H3 MET A 1 8.784 -24.552 16.190 1.00 0.00 H new ATOM 0 HA MET A 1 10.017 -24.302 18.656 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.135 -21.912 18.409 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.021 -22.519 17.024 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.987 -22.800 17.206 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.728 -21.346 16.568 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.297 -23.836 13.684 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.842 -23.933 15.402 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.955 -22.349 14.600 1.00 0.00 H new ATOM 20 N SER A 2 8.129 -23.401 20.323 1.00 0.00 N ATOM 21 CA SER A 2 7.131 -23.390 21.438 1.00 0.00 C ATOM 22 C SER A 2 6.802 -24.824 21.857 1.00 0.00 C ATOM 23 O SER A 2 5.736 -25.107 22.364 1.00 0.00 O ATOM 24 CB SER A 2 5.862 -22.655 21.003 1.00 0.00 C ATOM 25 OG SER A 2 6.225 -21.513 20.236 1.00 0.00 O ATOM 0 H SER A 2 8.935 -22.794 20.473 1.00 0.00 H new ATOM 0 HA SER A 2 7.558 -22.865 22.292 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.227 -23.317 20.414 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.284 -22.353 21.877 1.00 0.00 H new ATOM 0 HG SER A 2 5.416 -21.038 19.953 1.00 0.00 H new ATOM 31 N ASN A 3 7.728 -25.721 21.663 1.00 0.00 N ATOM 32 CA ASN A 3 7.514 -27.145 22.056 1.00 0.00 C ATOM 33 C ASN A 3 6.345 -27.731 21.277 1.00 0.00 C ATOM 34 O ASN A 3 5.248 -27.211 21.290 1.00 0.00 O ATOM 35 CB ASN A 3 7.252 -27.234 23.558 1.00 0.00 C ATOM 36 CG ASN A 3 7.450 -28.676 24.030 1.00 0.00 C ATOM 37 OD1 ASN A 3 8.264 -29.399 23.491 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.736 -29.125 25.024 1.00 0.00 N ATOM 0 H ASN A 3 8.637 -25.527 21.243 1.00 0.00 H new ATOM 0 HA ASN A 3 8.410 -27.720 21.822 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.928 -26.569 24.095 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.237 -26.904 23.780 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.861 -30.084 25.349 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.053 -28.518 25.476 1.00 0.00 H new ATOM 45 N GLN A 4 6.591 -28.811 20.585 1.00 0.00 N ATOM 46 CA GLN A 4 5.525 -29.463 19.774 1.00 0.00 C ATOM 47 C GLN A 4 4.287 -29.677 20.635 1.00 0.00 C ATOM 48 O GLN A 4 3.524 -28.768 20.880 1.00 0.00 O ATOM 49 CB GLN A 4 6.018 -30.830 19.263 1.00 0.00 C ATOM 50 CG GLN A 4 7.127 -30.634 18.223 1.00 0.00 C ATOM 51 CD GLN A 4 7.661 -31.997 17.763 1.00 0.00 C ATOM 52 OE1 GLN A 4 7.151 -33.029 18.154 1.00 0.00 O ATOM 53 NE2 GLN A 4 8.674 -32.043 16.940 1.00 0.00 N ATOM 0 H GLN A 4 7.499 -29.275 20.548 1.00 0.00 H new ATOM 0 HA GLN A 4 5.283 -28.821 18.927 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.391 -31.426 20.096 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.189 -31.383 18.822 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.742 -30.078 17.368 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.937 -30.042 18.650 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.103 -31.178 16.611 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.036 -32.944 16.626 1.00 0.00 H new ATOM 62 N THR A 5 4.092 -30.887 21.082 1.00 0.00 N ATOM 63 CA THR A 5 2.910 -31.216 21.923 1.00 0.00 C ATOM 64 C THR A 5 1.669 -30.518 21.376 1.00 0.00 C ATOM 65 O THR A 5 0.959 -31.049 20.547 1.00 0.00 O ATOM 66 CB THR A 5 3.155 -30.757 23.360 1.00 0.00 C ATOM 67 OG1 THR A 5 4.258 -31.471 23.901 1.00 0.00 O ATOM 68 CG2 THR A 5 1.906 -31.028 24.204 1.00 0.00 C ATOM 0 H THR A 5 4.714 -31.674 20.896 1.00 0.00 H new ATOM 0 HA THR A 5 2.754 -32.295 21.905 1.00 0.00 H new ATOM 0 HB THR A 5 3.373 -29.689 23.369 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.418 -31.177 24.822 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.081 -30.700 25.229 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.060 -30.481 23.788 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.687 -32.096 24.197 1.00 0.00 H new ATOM 76 N CYS A 6 1.410 -29.328 21.840 1.00 0.00 N ATOM 77 CA CYS A 6 0.214 -28.571 21.369 1.00 0.00 C ATOM 78 C CYS A 6 0.576 -27.762 20.128 1.00 0.00 C ATOM 79 O CYS A 6 1.191 -26.717 20.200 1.00 0.00 O ATOM 80 CB CYS A 6 -0.267 -27.643 22.490 1.00 0.00 C ATOM 81 SG CYS A 6 1.153 -26.925 23.355 1.00 0.00 S ATOM 0 H CYS A 6 1.980 -28.842 22.532 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.586 -29.265 21.111 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.889 -26.850 22.075 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.887 -28.200 23.192 1.00 0.00 H new ATOM 0 HG CYS A 6 0.733 -26.139 24.301 1.00 0.00 H new ATOM 87 N VAL A 7 0.183 -28.252 18.986 1.00 0.00 N ATOM 88 CA VAL A 7 0.476 -27.549 17.703 1.00 0.00 C ATOM 89 C VAL A 7 -0.736 -26.715 17.278 1.00 0.00 C ATOM 90 O VAL A 7 -1.755 -27.232 16.864 1.00 0.00 O ATOM 91 CB VAL A 7 0.800 -28.588 16.626 1.00 0.00 C ATOM 92 CG1 VAL A 7 1.348 -27.875 15.392 1.00 0.00 C ATOM 93 CG2 VAL A 7 1.856 -29.567 17.158 1.00 0.00 C ATOM 0 H VAL A 7 -0.337 -29.124 18.884 1.00 0.00 H new ATOM 0 HA VAL A 7 1.329 -26.884 17.836 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.104 -29.138 16.364 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.581 -28.609 14.621 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.602 -27.176 15.014 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.253 -27.330 15.659 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.086 -30.306 16.391 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.762 -29.019 17.417 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.471 -30.072 18.044 1.00 0.00 H new ATOM 103 N GLU A 8 -0.604 -25.419 17.375 1.00 0.00 N ATOM 104 CA GLU A 8 -1.703 -24.482 16.986 1.00 0.00 C ATOM 105 C GLU A 8 -3.051 -25.047 17.432 1.00 0.00 C ATOM 106 O GLU A 8 -3.897 -25.388 16.632 1.00 0.00 O ATOM 107 CB GLU A 8 -1.687 -24.282 15.471 1.00 0.00 C ATOM 108 CG GLU A 8 -2.644 -23.149 15.098 1.00 0.00 C ATOM 109 CD GLU A 8 -2.601 -22.906 13.587 1.00 0.00 C ATOM 110 OE1 GLU A 8 -2.027 -23.727 12.891 1.00 0.00 O ATOM 111 OE2 GLU A 8 -3.144 -21.904 13.155 1.00 0.00 O ATOM 0 H GLU A 8 0.240 -24.958 17.716 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.551 -23.520 17.475 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.677 -24.045 15.135 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.983 -25.203 14.968 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.659 -23.402 15.406 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.368 -22.238 15.629 1.00 0.00 H new ATOM 118 N ASN A 9 -3.246 -25.149 18.713 1.00 0.00 N ATOM 119 CA ASN A 9 -4.530 -25.692 19.250 1.00 0.00 C ATOM 120 C ASN A 9 -5.591 -24.590 19.240 1.00 0.00 C ATOM 121 O ASN A 9 -6.442 -24.537 18.376 1.00 0.00 O ATOM 122 CB ASN A 9 -4.322 -26.170 20.693 1.00 0.00 C ATOM 123 CG ASN A 9 -3.557 -27.493 20.691 1.00 0.00 C ATOM 124 OD1 ASN A 9 -3.465 -28.152 19.675 1.00 0.00 O ATOM 125 ND2 ASN A 9 -3.001 -27.915 21.793 1.00 0.00 N ATOM 0 H ASN A 9 -2.566 -24.877 19.423 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.856 -26.527 18.629 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.769 -25.420 21.259 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.285 -26.296 21.187 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.490 -28.798 21.801 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.078 -27.362 22.647 1.00 0.00 H new ATOM 132 N GLU A 10 -5.540 -23.717 20.208 1.00 0.00 N ATOM 133 CA GLU A 10 -6.529 -22.603 20.296 1.00 0.00 C ATOM 134 C GLU A 10 -7.941 -23.117 20.036 1.00 0.00 C ATOM 135 O GLU A 10 -8.202 -24.301 20.058 1.00 0.00 O ATOM 136 CB GLU A 10 -6.186 -21.525 19.268 1.00 0.00 C ATOM 137 CG GLU A 10 -4.874 -20.845 19.665 1.00 0.00 C ATOM 138 CD GLU A 10 -4.477 -19.830 18.592 1.00 0.00 C ATOM 139 OE1 GLU A 10 -5.208 -19.702 17.623 1.00 0.00 O ATOM 140 OE2 GLU A 10 -3.447 -19.198 18.757 1.00 0.00 O ATOM 0 H GLU A 10 -4.844 -23.728 20.954 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.486 -22.182 21.300 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.093 -21.968 18.277 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.988 -20.789 19.214 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.988 -20.346 20.627 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.088 -21.590 19.783 1.00 0.00 H new ATOM 147 N VAL A 11 -8.854 -22.215 19.804 1.00 0.00 N ATOM 148 CA VAL A 11 -10.271 -22.602 19.552 1.00 0.00 C ATOM 149 C VAL A 11 -10.454 -22.978 18.085 1.00 0.00 C ATOM 150 O VAL A 11 -10.020 -22.285 17.187 1.00 0.00 O ATOM 151 CB VAL A 11 -11.191 -21.430 19.906 1.00 0.00 C ATOM 152 CG1 VAL A 11 -12.627 -21.773 19.506 1.00 0.00 C ATOM 153 CG2 VAL A 11 -11.131 -21.174 21.414 1.00 0.00 C ATOM 0 H VAL A 11 -8.676 -21.211 19.778 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.525 -23.462 20.172 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.867 -20.537 19.371 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.284 -20.940 19.757 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.671 -21.959 18.433 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.951 -22.665 20.042 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.785 -20.340 21.668 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.457 -22.067 21.948 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.108 -20.933 21.702 1.00 0.00 H new ATOM 163 N CYS A 12 -11.095 -24.086 17.849 1.00 0.00 N ATOM 164 CA CYS A 12 -11.323 -24.557 16.455 1.00 0.00 C ATOM 165 C CYS A 12 -12.419 -23.729 15.786 1.00 0.00 C ATOM 166 O CYS A 12 -13.380 -23.319 16.405 1.00 0.00 O ATOM 167 CB CYS A 12 -11.740 -26.035 16.481 1.00 0.00 C ATOM 168 SG CYS A 12 -12.956 -26.312 17.794 1.00 0.00 S ATOM 0 H CYS A 12 -11.477 -24.695 18.573 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.400 -24.442 15.886 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.162 -26.319 15.517 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.866 -26.665 16.645 1.00 0.00 H new ATOM 0 HG CYS A 12 -13.304 -27.565 17.806 1.00 0.00 H new ATOM 174 N GLU A 13 -12.267 -23.502 14.511 1.00 0.00 N ATOM 175 CA GLU A 13 -13.267 -22.719 13.733 1.00 0.00 C ATOM 176 C GLU A 13 -13.274 -21.270 14.228 1.00 0.00 C ATOM 177 O GLU A 13 -14.268 -20.579 14.154 1.00 0.00 O ATOM 178 CB GLU A 13 -14.654 -23.349 13.901 1.00 0.00 C ATOM 179 CG GLU A 13 -15.551 -22.927 12.733 1.00 0.00 C ATOM 180 CD GLU A 13 -15.104 -23.640 11.452 1.00 0.00 C ATOM 181 OE1 GLU A 13 -14.251 -24.509 11.543 1.00 0.00 O ATOM 182 OE2 GLU A 13 -15.617 -23.298 10.400 1.00 0.00 O ATOM 0 H GLU A 13 -11.473 -23.834 13.964 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.003 -22.730 12.675 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.570 -24.435 13.935 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.097 -23.034 14.846 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.590 -23.172 12.953 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.501 -21.847 12.596 1.00 0.00 H new ATOM 189 N ALA A 14 -12.161 -20.810 14.729 1.00 0.00 N ATOM 190 CA ALA A 14 -12.074 -19.407 15.231 1.00 0.00 C ATOM 191 C ALA A 14 -11.674 -18.488 14.077 1.00 0.00 C ATOM 192 O ALA A 14 -11.650 -17.282 14.212 1.00 0.00 O ATOM 193 CB ALA A 14 -11.017 -19.330 16.336 1.00 0.00 C ATOM 0 H ALA A 14 -11.300 -21.350 14.813 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.039 -19.096 15.630 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.951 -18.307 16.705 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.297 -19.994 17.154 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.050 -19.635 15.936 1.00 0.00 H new ATOM 199 N CYS A 15 -11.361 -19.055 12.942 1.00 0.00 N ATOM 200 CA CYS A 15 -10.965 -18.225 11.768 1.00 0.00 C ATOM 201 C CYS A 15 -11.202 -19.001 10.471 1.00 0.00 C ATOM 202 O CYS A 15 -11.389 -20.201 10.467 1.00 0.00 O ATOM 203 CB CYS A 15 -9.488 -17.845 11.870 1.00 0.00 C ATOM 204 SG CYS A 15 -8.470 -19.341 11.879 1.00 0.00 S ATOM 0 H CYS A 15 -11.363 -20.062 12.778 1.00 0.00 H new ATOM 0 HA CYS A 15 -11.571 -17.319 11.761 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.208 -17.208 11.031 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.313 -17.269 12.779 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.215 -19.012 11.964 1.00 0.00 H new ATOM 210 N GLY A 16 -11.205 -18.300 9.373 1.00 0.00 N ATOM 211 CA GLY A 16 -11.443 -18.936 8.046 1.00 0.00 C ATOM 212 C GLY A 16 -10.319 -19.907 7.705 1.00 0.00 C ATOM 213 O GLY A 16 -9.238 -19.852 8.254 1.00 0.00 O ATOM 0 H GLY A 16 -11.049 -17.293 9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.396 -19.464 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.513 -18.168 7.276 1.00 0.00 H new ATOM 217 N CYS A 17 -10.583 -20.801 6.791 1.00 0.00 N ATOM 218 CA CYS A 17 -9.561 -21.809 6.382 1.00 0.00 C ATOM 219 C CYS A 17 -8.671 -21.238 5.278 1.00 0.00 C ATOM 220 O CYS A 17 -9.109 -20.493 4.426 1.00 0.00 O ATOM 221 CB CYS A 17 -10.269 -23.070 5.880 1.00 0.00 C ATOM 222 SG CYS A 17 -11.090 -23.890 7.272 1.00 0.00 S ATOM 0 H CYS A 17 -11.476 -20.877 6.303 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.936 -22.058 7.240 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.999 -22.810 5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.549 -23.746 5.418 1.00 0.00 H new ATOM 0 HG CYS A 17 -11.695 -24.961 6.850 1.00 0.00 H new ATOM 228 N ALA A 18 -7.417 -21.589 5.307 1.00 0.00 N ATOM 229 CA ALA A 18 -6.454 -21.085 4.285 1.00 0.00 C ATOM 230 C ALA A 18 -6.611 -21.902 3.003 1.00 0.00 C ATOM 231 O ALA A 18 -6.024 -21.597 1.985 1.00 0.00 O ATOM 232 CB ALA A 18 -5.024 -21.233 4.822 1.00 0.00 C ATOM 0 H ALA A 18 -7.011 -22.213 6.005 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.653 -20.035 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.316 -20.866 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.918 -20.655 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.820 -22.283 5.029 1.00 0.00 H new ATOM 238 N GLY A 19 -7.402 -22.936 3.056 1.00 0.00 N ATOM 239 CA GLY A 19 -7.619 -23.797 1.856 1.00 0.00 C ATOM 240 C GLY A 19 -8.613 -23.108 0.923 1.00 0.00 C ATOM 241 O GLY A 19 -8.907 -23.588 -0.152 1.00 0.00 O ATOM 0 H GLY A 19 -7.914 -23.226 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.674 -23.968 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.999 -24.773 2.157 1.00 0.00 H new ATOM 245 N GLU A 20 -9.134 -21.986 1.337 1.00 0.00 N ATOM 246 CA GLU A 20 -10.122 -21.248 0.495 1.00 0.00 C ATOM 247 C GLU A 20 -9.412 -20.574 -0.676 1.00 0.00 C ATOM 248 O GLU A 20 -8.398 -19.925 -0.517 1.00 0.00 O ATOM 249 CB GLU A 20 -10.827 -20.191 1.352 1.00 0.00 C ATOM 250 CG GLU A 20 -11.655 -20.880 2.442 1.00 0.00 C ATOM 251 CD GLU A 20 -12.786 -21.687 1.799 1.00 0.00 C ATOM 252 OE1 GLU A 20 -13.109 -21.409 0.655 1.00 0.00 O ATOM 253 OE2 GLU A 20 -13.308 -22.568 2.460 1.00 0.00 O ATOM 0 H GLU A 20 -8.917 -21.544 2.230 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.857 -21.950 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.091 -19.527 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.472 -19.573 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.018 -21.537 3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.068 -20.136 3.123 1.00 0.00 H new ATOM 260 N ILE A 21 -9.950 -20.730 -1.856 1.00 0.00 N ATOM 261 CA ILE A 21 -9.334 -20.117 -3.070 1.00 0.00 C ATOM 262 C ILE A 21 -9.886 -18.715 -3.281 1.00 0.00 C ATOM 263 O ILE A 21 -11.077 -18.481 -3.245 1.00 0.00 O ATOM 264 CB ILE A 21 -9.639 -20.979 -4.300 1.00 0.00 C ATOM 265 CG1 ILE A 21 -8.905 -20.399 -5.513 1.00 0.00 C ATOM 266 CG2 ILE A 21 -11.147 -20.993 -4.573 1.00 0.00 C ATOM 267 CD1 ILE A 21 -8.951 -21.397 -6.673 1.00 0.00 C ATOM 0 H ILE A 21 -10.801 -21.263 -2.033 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.255 -20.060 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.304 -22.000 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.366 -19.458 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.870 -20.178 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.352 -21.608 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.669 -21.405 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.493 -19.976 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.428 -20.980 -7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.470 -22.327 -6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.989 -21.596 -6.941 1.00 0.00 H new ATOM 279 N GLY A 22 -9.010 -17.781 -3.503 1.00 0.00 N ATOM 280 CA GLY A 22 -9.440 -16.375 -3.724 1.00 0.00 C ATOM 281 C GLY A 22 -8.266 -15.559 -4.256 1.00 0.00 C ATOM 282 O GLY A 22 -7.850 -15.710 -5.387 1.00 0.00 O ATOM 0 H GLY A 22 -8.002 -17.933 -3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.268 -16.344 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.803 -15.944 -2.791 1.00 0.00 H new ATOM 286 N PHE A 23 -7.740 -14.681 -3.444 1.00 0.00 N ATOM 287 CA PHE A 23 -6.595 -13.818 -3.876 1.00 0.00 C ATOM 288 C PHE A 23 -5.323 -14.251 -3.142 1.00 0.00 C ATOM 289 O PHE A 23 -4.752 -15.282 -3.427 1.00 0.00 O ATOM 290 CB PHE A 23 -6.908 -12.360 -3.516 1.00 0.00 C ATOM 291 CG PHE A 23 -8.203 -11.945 -4.170 1.00 0.00 C ATOM 292 CD1 PHE A 23 -8.243 -11.711 -5.549 1.00 0.00 C ATOM 293 CD2 PHE A 23 -9.363 -11.797 -3.400 1.00 0.00 C ATOM 294 CE1 PHE A 23 -9.444 -11.329 -6.158 1.00 0.00 C ATOM 295 CE2 PHE A 23 -10.563 -11.415 -4.008 1.00 0.00 C ATOM 296 CZ PHE A 23 -10.604 -11.181 -5.388 1.00 0.00 C ATOM 0 H PHE A 23 -8.057 -14.521 -2.488 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.447 -13.916 -4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -6.983 -12.250 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.097 -11.711 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.348 -11.825 -6.143 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.331 -11.978 -2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.476 -11.148 -7.222 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.457 -11.301 -3.414 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.530 -10.886 -5.858 1.00 0.00 H new ATOM 306 N ILE A 24 -4.885 -13.457 -2.202 1.00 0.00 N ATOM 307 CA ILE A 24 -3.653 -13.780 -1.429 1.00 0.00 C ATOM 308 C ILE A 24 -2.522 -14.142 -2.391 1.00 0.00 C ATOM 309 O ILE A 24 -2.446 -15.241 -2.899 1.00 0.00 O ATOM 310 CB ILE A 24 -3.936 -14.936 -0.468 1.00 0.00 C ATOM 311 CG1 ILE A 24 -4.951 -14.482 0.591 1.00 0.00 C ATOM 312 CG2 ILE A 24 -2.638 -15.355 0.220 1.00 0.00 C ATOM 313 CD1 ILE A 24 -5.435 -15.694 1.392 1.00 0.00 C ATOM 0 H ILE A 24 -5.338 -12.583 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.348 -12.911 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.342 -15.781 -1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.493 -13.752 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.797 -13.989 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.839 -16.179 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.915 -15.675 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.232 -14.510 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.155 -15.370 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.909 -16.409 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.586 -16.167 1.884 1.00 0.00 H new ATOM 325 N ILE A 25 -1.645 -13.208 -2.637 1.00 0.00 N ATOM 326 CA ILE A 25 -0.504 -13.454 -3.569 1.00 0.00 C ATOM 327 C ILE A 25 0.599 -14.243 -2.859 1.00 0.00 C ATOM 328 O ILE A 25 1.035 -13.906 -1.776 1.00 0.00 O ATOM 329 CB ILE A 25 0.033 -12.114 -4.080 1.00 0.00 C ATOM 330 CG1 ILE A 25 -1.014 -11.464 -4.996 1.00 0.00 C ATOM 331 CG2 ILE A 25 1.328 -12.339 -4.861 1.00 0.00 C ATOM 332 CD1 ILE A 25 -0.617 -10.013 -5.294 1.00 0.00 C ATOM 0 H ILE A 25 -1.669 -12.274 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.850 -14.044 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 25 0.236 -11.458 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.096 -12.026 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.994 -11.492 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.706 -11.383 -5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.070 -12.800 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.132 -12.995 -5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.364 -9.558 -5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.558 -9.453 -4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.354 -9.996 -5.789 1.00 0.00 H new ATOM 344 N ARG A 26 1.030 -15.307 -3.481 1.00 0.00 N ATOM 345 CA ARG A 26 2.096 -16.184 -2.899 1.00 0.00 C ATOM 346 C ARG A 26 3.446 -15.845 -3.534 1.00 0.00 C ATOM 347 O ARG A 26 4.423 -16.540 -3.342 1.00 0.00 O ATOM 348 CB ARG A 26 1.742 -17.652 -3.177 1.00 0.00 C ATOM 349 CG ARG A 26 0.462 -18.014 -2.413 1.00 0.00 C ATOM 350 CD ARG A 26 0.055 -19.457 -2.730 1.00 0.00 C ATOM 351 NE ARG A 26 1.106 -20.395 -2.232 1.00 0.00 N ATOM 352 CZ ARG A 26 1.076 -20.844 -1.000 1.00 0.00 C ATOM 353 NH1 ARG A 26 0.125 -20.480 -0.179 1.00 0.00 N ATOM 354 NH2 ARG A 26 2.005 -21.662 -0.590 1.00 0.00 N ATOM 0 H ARG A 26 0.682 -15.615 -4.389 1.00 0.00 H new ATOM 0 HA ARG A 26 2.161 -16.021 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.598 -17.808 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.561 -18.301 -2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.623 -17.900 -1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.342 -17.331 -2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.903 -19.686 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.077 -19.580 -3.805 1.00 0.00 H new ATOM 0 HE ARG A 26 1.856 -20.690 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.604 -19.840 -0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.112 -20.836 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.749 -21.949 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.988 -22.015 0.367 1.00 0.00 H new ATOM 368 N GLU A 27 3.504 -14.779 -4.286 1.00 0.00 N ATOM 369 CA GLU A 27 4.787 -14.376 -4.933 1.00 0.00 C ATOM 370 C GLU A 27 5.703 -13.777 -3.869 1.00 0.00 C ATOM 371 O GLU A 27 6.240 -12.699 -4.020 1.00 0.00 O ATOM 372 CB GLU A 27 4.511 -13.345 -6.033 1.00 0.00 C ATOM 373 CG GLU A 27 3.742 -14.017 -7.175 1.00 0.00 C ATOM 374 CD GLU A 27 3.487 -13.002 -8.291 1.00 0.00 C ATOM 375 OE1 GLU A 27 4.006 -11.903 -8.193 1.00 0.00 O ATOM 376 OE2 GLU A 27 2.779 -13.343 -9.224 1.00 0.00 O ATOM 0 H GLU A 27 2.713 -14.166 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 27 5.267 -15.244 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.934 -12.513 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.449 -12.932 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.311 -14.862 -7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.795 -14.412 -6.806 1.00 0.00 H new ATOM 383 N GLY A 28 5.875 -14.486 -2.791 1.00 0.00 N ATOM 384 CA GLY A 28 6.745 -14.005 -1.680 1.00 0.00 C ATOM 385 C GLY A 28 8.052 -13.472 -2.239 1.00 0.00 C ATOM 386 O GLY A 28 8.470 -13.835 -3.318 1.00 0.00 O ATOM 0 H GLY A 28 5.442 -15.395 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.234 -13.223 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.943 -14.819 -0.983 1.00 0.00 H new ATOM 390 N ASP A 29 8.694 -12.608 -1.503 1.00 0.00 N ATOM 391 CA ASP A 29 9.982 -12.018 -1.958 1.00 0.00 C ATOM 392 C ASP A 29 9.706 -11.066 -3.123 1.00 0.00 C ATOM 393 O ASP A 29 10.232 -9.975 -3.186 1.00 0.00 O ATOM 394 CB ASP A 29 10.933 -13.132 -2.422 1.00 0.00 C ATOM 395 CG ASP A 29 10.751 -14.369 -1.539 1.00 0.00 C ATOM 396 OD1 ASP A 29 10.564 -14.201 -0.344 1.00 0.00 O ATOM 397 OD2 ASP A 29 10.801 -15.463 -2.075 1.00 0.00 O ATOM 0 H ASP A 29 8.375 -12.281 -0.591 1.00 0.00 H new ATOM 0 HA ASP A 29 10.446 -11.475 -1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.732 -13.384 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.965 -12.786 -2.371 1.00 0.00 H new ATOM 402 N ASP A 30 8.877 -11.482 -4.044 1.00 0.00 N ATOM 403 CA ASP A 30 8.538 -10.630 -5.224 1.00 0.00 C ATOM 404 C ASP A 30 7.229 -9.898 -4.952 1.00 0.00 C ATOM 405 O ASP A 30 6.655 -9.283 -5.831 1.00 0.00 O ATOM 406 CB ASP A 30 8.386 -11.522 -6.463 1.00 0.00 C ATOM 407 CG ASP A 30 9.758 -12.068 -6.865 1.00 0.00 C ATOM 408 OD1 ASP A 30 10.744 -11.571 -6.348 1.00 0.00 O ATOM 409 OD2 ASP A 30 9.798 -12.970 -7.686 1.00 0.00 O ATOM 0 H ASP A 30 8.413 -12.390 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 30 9.331 -9.902 -5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.702 -12.344 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.954 -10.952 -7.285 1.00 0.00 H new ATOM 414 N VAL A 31 6.751 -9.964 -3.737 1.00 0.00 N ATOM 415 CA VAL A 31 5.468 -9.282 -3.380 1.00 0.00 C ATOM 416 C VAL A 31 5.667 -8.427 -2.131 1.00 0.00 C ATOM 417 O VAL A 31 6.523 -8.688 -1.310 1.00 0.00 O ATOM 418 CB VAL A 31 4.385 -10.345 -3.122 1.00 0.00 C ATOM 419 CG1 VAL A 31 4.545 -10.962 -1.720 1.00 0.00 C ATOM 420 CG2 VAL A 31 3.008 -9.690 -3.240 1.00 0.00 C ATOM 0 H VAL A 31 7.197 -10.465 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 31 5.155 -8.637 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 31 4.488 -11.141 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.768 -11.710 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.525 -11.433 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.455 -10.180 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.234 -10.436 -3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.921 -8.890 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.886 -9.277 -4.241 1.00 0.00 H new ATOM 430 N ALA A 32 4.865 -7.404 -1.991 1.00 0.00 N ATOM 431 CA ALA A 32 4.968 -6.494 -0.808 1.00 0.00 C ATOM 432 C ALA A 32 3.635 -6.455 -0.068 1.00 0.00 C ATOM 433 O ALA A 32 2.573 -6.480 -0.656 1.00 0.00 O ATOM 434 CB ALA A 32 5.333 -5.087 -1.278 1.00 0.00 C ATOM 0 H ALA A 32 4.132 -7.156 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 32 5.741 -6.865 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.408 -4.424 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.290 -5.114 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.562 -4.718 -1.954 1.00 0.00 H new ATOM 440 N GLU A 33 3.702 -6.407 1.232 1.00 0.00 N ATOM 441 CA GLU A 33 2.468 -6.384 2.071 1.00 0.00 C ATOM 442 C GLU A 33 2.080 -4.949 2.408 1.00 0.00 C ATOM 443 O GLU A 33 2.907 -4.123 2.733 1.00 0.00 O ATOM 444 CB GLU A 33 2.734 -7.160 3.366 1.00 0.00 C ATOM 445 CG GLU A 33 3.890 -6.511 4.138 1.00 0.00 C ATOM 446 CD GLU A 33 4.235 -7.363 5.363 1.00 0.00 C ATOM 447 OE1 GLU A 33 3.487 -8.280 5.654 1.00 0.00 O ATOM 448 OE2 GLU A 33 5.239 -7.074 5.993 1.00 0.00 O ATOM 0 H GLU A 33 4.575 -6.382 1.760 1.00 0.00 H new ATOM 0 HA GLU A 33 1.649 -6.845 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.836 -7.173 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.977 -8.197 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.763 -6.415 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.612 -5.504 4.450 1.00 0.00 H new ATOM 455 N VAL A 34 0.808 -4.662 2.339 1.00 0.00 N ATOM 456 CA VAL A 34 0.307 -3.290 2.661 1.00 0.00 C ATOM 457 C VAL A 34 -0.802 -3.391 3.705 1.00 0.00 C ATOM 458 O VAL A 34 -1.740 -4.151 3.572 1.00 0.00 O ATOM 459 CB VAL A 34 -0.238 -2.630 1.391 1.00 0.00 C ATOM 460 CG1 VAL A 34 -0.976 -1.338 1.763 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.925 -2.300 0.454 1.00 0.00 C ATOM 0 H VAL A 34 0.083 -5.328 2.070 1.00 0.00 H new ATOM 0 HA VAL A 34 1.124 -2.686 3.055 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.928 -3.311 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.364 -0.868 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.802 -1.571 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.287 -0.655 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.541 -1.830 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.612 -1.617 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.452 -3.217 0.191 1.00 0.00 H new ATOM 471 N SER A 35 -0.697 -2.601 4.736 1.00 0.00 N ATOM 472 CA SER A 35 -1.731 -2.601 5.816 1.00 0.00 C ATOM 473 C SER A 35 -2.107 -1.163 6.154 1.00 0.00 C ATOM 474 O SER A 35 -1.261 -0.326 6.399 1.00 0.00 O ATOM 475 CB SER A 35 -1.169 -3.287 7.055 1.00 0.00 C ATOM 476 OG SER A 35 -0.788 -4.613 6.717 1.00 0.00 O ATOM 0 H SER A 35 0.071 -1.945 4.881 1.00 0.00 H new ATOM 0 HA SER A 35 -2.617 -3.138 5.476 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.310 -2.734 7.435 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.916 -3.301 7.849 1.00 0.00 H new ATOM 0 HG SER A 35 -0.424 -5.061 7.509 1.00 0.00 H new ATOM 482 N LEU A 36 -3.381 -0.874 6.157 1.00 0.00 N ATOM 483 CA LEU A 36 -3.857 0.514 6.463 1.00 0.00 C ATOM 484 C LEU A 36 -4.752 0.504 7.696 1.00 0.00 C ATOM 485 O LEU A 36 -5.409 -0.471 8.004 1.00 0.00 O ATOM 486 CB LEU A 36 -4.644 1.051 5.267 1.00 0.00 C ATOM 487 CG LEU A 36 -3.772 0.976 4.007 1.00 0.00 C ATOM 488 CD1 LEU A 36 -4.572 1.479 2.801 1.00 0.00 C ATOM 489 CD2 LEU A 36 -2.520 1.847 4.191 1.00 0.00 C ATOM 0 H LEU A 36 -4.123 -1.545 5.959 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.995 1.153 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.555 0.470 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.948 2.081 5.451 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.470 -0.058 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.953 1.426 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.458 0.858 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.876 2.512 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.903 1.791 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.818 2.881 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.949 1.487 5.047 1.00 0.00 H new ATOM 501 N PHE A 37 -4.765 1.602 8.405 1.00 0.00 N ATOM 502 CA PHE A 37 -5.596 1.721 9.644 1.00 0.00 C ATOM 503 C PHE A 37 -6.520 2.932 9.530 1.00 0.00 C ATOM 504 O PHE A 37 -6.135 3.993 9.077 1.00 0.00 O ATOM 505 CB PHE A 37 -4.674 1.889 10.858 1.00 0.00 C ATOM 506 CG PHE A 37 -3.875 0.622 11.062 1.00 0.00 C ATOM 507 CD1 PHE A 37 -4.448 -0.467 11.732 1.00 0.00 C ATOM 508 CD2 PHE A 37 -2.565 0.532 10.575 1.00 0.00 C ATOM 509 CE1 PHE A 37 -3.709 -1.643 11.918 1.00 0.00 C ATOM 510 CE2 PHE A 37 -1.827 -0.644 10.760 1.00 0.00 C ATOM 511 CZ PHE A 37 -2.399 -1.732 11.430 1.00 0.00 C ATOM 0 H PHE A 37 -4.226 2.437 8.175 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.199 0.821 9.765 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.003 2.734 10.705 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.263 2.108 11.748 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.459 -0.400 12.105 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.123 1.370 10.056 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.150 -2.481 12.438 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.816 -0.711 10.386 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.831 -2.639 11.571 1.00 0.00 H new ATOM 521 N GLY A 38 -7.744 2.768 9.946 1.00 0.00 N ATOM 522 CA GLY A 38 -8.726 3.888 9.878 1.00 0.00 C ATOM 523 C GLY A 38 -10.100 3.419 10.360 1.00 0.00 C ATOM 524 O GLY A 38 -10.294 2.279 10.735 1.00 0.00 O ATOM 0 H GLY A 38 -8.110 1.899 10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.382 4.720 10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.798 4.256 8.854 1.00 0.00 H new ATOM 528 N SER A 39 -11.053 4.310 10.352 1.00 0.00 N ATOM 529 CA SER A 39 -12.432 3.970 10.806 1.00 0.00 C ATOM 530 C SER A 39 -13.251 3.431 9.627 1.00 0.00 C ATOM 531 O SER A 39 -13.480 2.245 9.515 1.00 0.00 O ATOM 532 CB SER A 39 -13.104 5.235 11.359 1.00 0.00 C ATOM 533 OG SER A 39 -13.029 6.281 10.396 1.00 0.00 O ATOM 0 H SER A 39 -10.933 5.275 10.045 1.00 0.00 H new ATOM 0 HA SER A 39 -12.381 3.207 11.583 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.146 5.027 11.603 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.615 5.543 12.283 1.00 0.00 H new ATOM 0 HG SER A 39 -13.460 7.085 10.753 1.00 0.00 H new ATOM 539 N ASP A 40 -13.703 4.296 8.756 1.00 0.00 N ATOM 540 CA ASP A 40 -14.525 3.846 7.589 1.00 0.00 C ATOM 541 C ASP A 40 -13.631 3.300 6.479 1.00 0.00 C ATOM 542 O ASP A 40 -12.469 3.635 6.369 1.00 0.00 O ATOM 543 CB ASP A 40 -15.345 5.023 7.054 1.00 0.00 C ATOM 544 CG ASP A 40 -16.352 4.512 6.021 1.00 0.00 C ATOM 545 OD1 ASP A 40 -17.236 3.764 6.406 1.00 0.00 O ATOM 546 OD2 ASP A 40 -16.223 4.876 4.864 1.00 0.00 O ATOM 0 H ASP A 40 -13.538 5.301 8.802 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.194 3.052 7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.867 5.519 7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.686 5.764 6.601 1.00 0.00 H new ATOM 551 N LYS A 41 -14.185 2.452 5.660 1.00 0.00 N ATOM 552 CA LYS A 41 -13.415 1.843 4.541 1.00 0.00 C ATOM 553 C LYS A 41 -12.969 2.927 3.558 1.00 0.00 C ATOM 554 O LYS A 41 -11.874 2.888 3.036 1.00 0.00 O ATOM 555 CB LYS A 41 -14.308 0.834 3.808 1.00 0.00 C ATOM 556 CG LYS A 41 -13.487 0.120 2.733 1.00 0.00 C ATOM 557 CD LYS A 41 -14.347 -0.932 2.033 1.00 0.00 C ATOM 558 CE LYS A 41 -13.507 -1.650 0.974 1.00 0.00 C ATOM 559 NZ LYS A 41 -14.334 -2.698 0.311 1.00 0.00 N ATOM 0 H LYS A 41 -15.157 2.150 5.720 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.534 1.342 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.713 0.109 4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.157 1.345 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.118 0.843 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.614 -0.353 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.727 -1.650 2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.213 -0.460 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.146 -0.935 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.629 -2.102 1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.786 -3.140 -0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.601 -3.422 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.193 -2.264 -0.084 1.00 0.00 H new ATOM 573 N ALA A 42 -13.818 3.880 3.292 1.00 0.00 N ATOM 574 CA ALA A 42 -13.470 4.963 2.326 1.00 0.00 C ATOM 575 C ALA A 42 -12.163 5.629 2.757 1.00 0.00 C ATOM 576 O ALA A 42 -11.334 5.974 1.939 1.00 0.00 O ATOM 577 CB ALA A 42 -14.592 6.010 2.318 1.00 0.00 C ATOM 0 H ALA A 42 -14.747 3.957 3.706 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.352 4.540 1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.344 6.804 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.528 5.538 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.703 6.432 3.317 1.00 0.00 H new ATOM 583 N HIS A 43 -11.982 5.810 4.036 1.00 0.00 N ATOM 584 CA HIS A 43 -10.735 6.453 4.551 1.00 0.00 C ATOM 585 C HIS A 43 -9.543 5.527 4.297 1.00 0.00 C ATOM 586 O HIS A 43 -8.485 5.962 3.883 1.00 0.00 O ATOM 587 CB HIS A 43 -10.874 6.696 6.053 1.00 0.00 C ATOM 588 CG HIS A 43 -9.663 7.432 6.555 1.00 0.00 C ATOM 589 ND1 HIS A 43 -8.972 8.507 6.053 1.00 0.00 N flip ATOM 590 CD2 HIS A 43 -9.017 7.080 7.728 1.00 0.00 C flip ATOM 591 CE1 HIS A 43 -7.914 8.820 6.902 1.00 0.00 C flip ATOM 592 NE2 HIS A 43 -7.987 7.930 7.894 1.00 0.00 N flip ATOM 0 H HIS A 43 -12.651 5.538 4.756 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.576 7.402 4.039 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.775 7.275 6.257 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.979 5.746 6.578 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -9.199 9.001 5.190 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.290 6.271 8.389 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.190 9.612 6.783 1.00 0.00 H new ATOM 600 N LEU A 44 -9.717 4.250 4.530 1.00 0.00 N ATOM 601 CA LEU A 44 -8.611 3.289 4.278 1.00 0.00 C ATOM 602 C LEU A 44 -8.324 3.342 2.789 1.00 0.00 C ATOM 603 O LEU A 44 -7.191 3.333 2.351 1.00 0.00 O ATOM 604 CB LEU A 44 -9.048 1.854 4.647 1.00 0.00 C ATOM 605 CG LEU A 44 -9.325 1.744 6.153 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.901 0.357 6.463 1.00 0.00 C ATOM 607 CD2 LEU A 44 -8.024 1.944 6.948 1.00 0.00 C ATOM 0 H LEU A 44 -10.579 3.836 4.884 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.737 3.547 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.943 1.585 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.269 1.146 4.362 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.039 2.515 6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.099 0.276 7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.830 0.217 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.184 -0.409 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.233 1.864 8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.301 1.180 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.614 2.930 6.732 1.00 0.00 H new ATOM 619 N GLU A 45 -9.370 3.417 2.013 1.00 0.00 N ATOM 620 CA GLU A 45 -9.223 3.492 0.535 1.00 0.00 C ATOM 621 C GLU A 45 -8.510 4.794 0.159 1.00 0.00 C ATOM 622 O GLU A 45 -7.788 4.853 -0.815 1.00 0.00 O ATOM 623 CB GLU A 45 -10.615 3.458 -0.115 1.00 0.00 C ATOM 624 CG GLU A 45 -11.224 2.062 0.047 1.00 0.00 C ATOM 625 CD GLU A 45 -10.424 1.055 -0.784 1.00 0.00 C ATOM 626 OE1 GLU A 45 -9.755 1.480 -1.711 1.00 0.00 O ATOM 627 OE2 GLU A 45 -10.491 -0.123 -0.475 1.00 0.00 O ATOM 0 H GLU A 45 -10.334 3.430 2.347 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.636 2.645 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.262 4.204 0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.540 3.713 -1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.216 1.770 1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.266 2.069 -0.274 1.00 0.00 H new ATOM 634 N GLY A 46 -8.716 5.833 0.924 1.00 0.00 N ATOM 635 CA GLY A 46 -8.063 7.144 0.625 1.00 0.00 C ATOM 636 C GLY A 46 -6.545 6.983 0.684 1.00 0.00 C ATOM 637 O GLY A 46 -5.833 7.376 -0.217 1.00 0.00 O ATOM 0 H GLY A 46 -9.314 5.831 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.364 7.495 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.388 7.896 1.344 1.00 0.00 H new ATOM 641 N LYS A 47 -6.052 6.401 1.743 1.00 0.00 N ATOM 642 CA LYS A 47 -4.584 6.191 1.885 1.00 0.00 C ATOM 643 C LYS A 47 -4.117 5.205 0.819 1.00 0.00 C ATOM 644 O LYS A 47 -3.053 5.343 0.255 1.00 0.00 O ATOM 645 CB LYS A 47 -4.275 5.625 3.279 1.00 0.00 C ATOM 646 CG LYS A 47 -4.461 6.722 4.334 1.00 0.00 C ATOM 647 CD LYS A 47 -4.134 6.163 5.724 1.00 0.00 C ATOM 648 CE LYS A 47 -4.176 7.292 6.761 1.00 0.00 C ATOM 649 NZ LYS A 47 -5.550 7.863 6.828 1.00 0.00 N ATOM 0 H LYS A 47 -6.611 6.058 2.524 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.064 7.141 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.934 4.784 3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.253 5.246 3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.812 7.569 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.486 7.091 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.849 5.385 5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.147 5.700 5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.882 6.911 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.461 8.070 6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.498 8.858 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.997 7.804 5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.116 7.326 7.516 1.00 0.00 H new ATOM 663 N LEU A 48 -4.910 4.207 0.553 1.00 0.00 N ATOM 664 CA LEU A 48 -4.536 3.181 -0.458 1.00 0.00 C ATOM 665 C LEU A 48 -4.246 3.867 -1.792 1.00 0.00 C ATOM 666 O LEU A 48 -3.400 3.436 -2.550 1.00 0.00 O ATOM 667 CB LEU A 48 -5.704 2.192 -0.631 1.00 0.00 C ATOM 668 CG LEU A 48 -5.324 1.104 -1.648 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.128 0.292 -1.125 1.00 0.00 C ATOM 670 CD2 LEU A 48 -6.519 0.173 -1.870 1.00 0.00 C ATOM 0 H LEU A 48 -5.815 4.056 1.000 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.648 2.643 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.950 1.735 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.594 2.723 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.049 1.576 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.865 -0.477 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.276 0.955 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.394 -0.179 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.250 -0.599 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.797 -0.294 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.362 0.748 -2.252 1.00 0.00 H new ATOM 682 N ALA A 49 -4.950 4.923 -2.084 1.00 0.00 N ATOM 683 CA ALA A 49 -4.736 5.647 -3.371 1.00 0.00 C ATOM 684 C ALA A 49 -3.292 6.143 -3.434 1.00 0.00 C ATOM 685 O ALA A 49 -2.665 6.128 -4.474 1.00 0.00 O ATOM 686 CB ALA A 49 -5.686 6.850 -3.434 1.00 0.00 C ATOM 0 H ALA A 49 -5.671 5.321 -1.482 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.932 4.978 -4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.535 7.384 -4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.717 6.502 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.481 7.519 -2.599 1.00 0.00 H new ATOM 692 N GLU A 50 -2.766 6.583 -2.324 1.00 0.00 N ATOM 693 CA GLU A 50 -1.361 7.082 -2.291 1.00 0.00 C ATOM 694 C GLU A 50 -0.405 5.915 -2.528 1.00 0.00 C ATOM 695 O GLU A 50 0.598 6.047 -3.200 1.00 0.00 O ATOM 696 CB GLU A 50 -1.073 7.708 -0.916 1.00 0.00 C ATOM 697 CG GLU A 50 -1.861 9.013 -0.774 1.00 0.00 C ATOM 698 CD GLU A 50 -1.642 9.609 0.621 1.00 0.00 C ATOM 699 OE1 GLU A 50 -0.913 9.010 1.394 1.00 0.00 O ATOM 700 OE2 GLU A 50 -2.209 10.656 0.890 1.00 0.00 O ATOM 0 H GLU A 50 -3.254 6.619 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.221 7.833 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.352 7.014 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.006 7.902 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.543 9.724 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.923 8.826 -0.936 1.00 0.00 H new ATOM 707 N TYR A 51 -0.714 4.773 -1.979 1.00 0.00 N ATOM 708 CA TYR A 51 0.164 3.580 -2.162 1.00 0.00 C ATOM 709 C TYR A 51 0.239 3.248 -3.649 1.00 0.00 C ATOM 710 O TYR A 51 1.296 2.988 -4.185 1.00 0.00 O ATOM 711 CB TYR A 51 -0.443 2.382 -1.402 1.00 0.00 C ATOM 712 CG TYR A 51 -0.057 2.452 0.061 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.405 3.572 0.824 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.648 1.396 0.652 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.049 3.639 2.175 1.00 0.00 C ATOM 716 CE2 TYR A 51 1.004 1.464 2.002 1.00 0.00 C ATOM 717 CZ TYR A 51 0.655 2.585 2.763 1.00 0.00 C ATOM 718 OH TYR A 51 1.010 2.650 4.095 1.00 0.00 O ATOM 0 H TYR A 51 -1.543 4.613 -1.407 1.00 0.00 H new ATOM 0 HA TYR A 51 1.162 3.788 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.528 2.389 -1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.089 1.447 -1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.949 4.386 0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.916 0.530 0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.318 4.504 2.763 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.549 0.651 2.458 1.00 0.00 H new ATOM 0 HH TYR A 51 1.494 1.835 4.345 1.00 0.00 H new ATOM 728 N ILE A 52 -0.886 3.251 -4.309 1.00 0.00 N ATOM 729 CA ILE A 52 -0.913 2.935 -5.765 1.00 0.00 C ATOM 730 C ILE A 52 -0.153 4.017 -6.540 1.00 0.00 C ATOM 731 O ILE A 52 0.623 3.725 -7.427 1.00 0.00 O ATOM 732 CB ILE A 52 -2.376 2.890 -6.238 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.076 1.677 -5.613 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.427 2.772 -7.763 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.586 1.762 -5.858 1.00 0.00 C ATOM 0 H ILE A 52 -1.796 3.461 -3.898 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.438 1.970 -5.943 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.880 3.806 -5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.680 0.757 -6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.874 1.641 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.466 2.741 -8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.931 3.633 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.921 1.858 -8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.076 0.897 -5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.977 2.674 -5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.780 1.775 -6.930 1.00 0.00 H new ATOM 747 N SER A 53 -0.382 5.265 -6.217 1.00 0.00 N ATOM 748 CA SER A 53 0.313 6.374 -6.937 1.00 0.00 C ATOM 749 C SER A 53 1.823 6.276 -6.709 1.00 0.00 C ATOM 750 O SER A 53 2.606 6.379 -7.632 1.00 0.00 O ATOM 751 CB SER A 53 -0.190 7.721 -6.401 1.00 0.00 C ATOM 752 OG SER A 53 -1.576 7.855 -6.689 1.00 0.00 O ATOM 0 H SER A 53 -1.023 5.564 -5.482 1.00 0.00 H new ATOM 0 HA SER A 53 0.102 6.296 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.023 7.782 -5.326 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.368 8.538 -6.858 1.00 0.00 H new ATOM 0 HG SER A 53 -2.096 7.323 -6.051 1.00 0.00 H new ATOM 758 N LEU A 54 2.230 6.078 -5.484 1.00 0.00 N ATOM 759 CA LEU A 54 3.687 5.970 -5.173 1.00 0.00 C ATOM 760 C LEU A 54 4.264 4.715 -5.822 1.00 0.00 C ATOM 761 O LEU A 54 5.348 4.727 -6.368 1.00 0.00 O ATOM 762 CB LEU A 54 3.878 5.864 -3.650 1.00 0.00 C ATOM 763 CG LEU A 54 3.497 7.189 -2.976 1.00 0.00 C ATOM 764 CD1 LEU A 54 3.482 7.000 -1.456 1.00 0.00 C ATOM 765 CD2 LEU A 54 4.515 8.285 -3.347 1.00 0.00 C ATOM 0 H LEU A 54 1.611 5.986 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 54 4.197 6.853 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.263 5.056 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.915 5.616 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 54 2.508 7.492 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.212 7.940 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.753 6.234 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.471 6.691 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.235 9.221 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.509 7.987 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.523 8.424 -4.428 1.00 0.00 H new ATOM 777 N ALA A 55 3.546 3.630 -5.744 1.00 0.00 N ATOM 778 CA ALA A 55 4.032 2.346 -6.325 1.00 0.00 C ATOM 779 C ALA A 55 4.127 2.463 -7.849 1.00 0.00 C ATOM 780 O ALA A 55 5.037 1.943 -8.461 1.00 0.00 O ATOM 781 CB ALA A 55 3.047 1.227 -5.959 1.00 0.00 C ATOM 0 H ALA A 55 2.631 3.577 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 55 5.020 2.118 -5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.395 0.284 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.983 1.139 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.062 1.463 -6.362 1.00 0.00 H new ATOM 787 N LYS A 56 3.187 3.129 -8.463 1.00 0.00 N ATOM 788 CA LYS A 56 3.204 3.275 -9.943 1.00 0.00 C ATOM 789 C LYS A 56 4.425 4.091 -10.367 1.00 0.00 C ATOM 790 O LYS A 56 5.121 3.745 -11.299 1.00 0.00 O ATOM 791 CB LYS A 56 1.931 4.007 -10.388 1.00 0.00 C ATOM 792 CG LYS A 56 1.876 4.032 -11.912 1.00 0.00 C ATOM 793 CD LYS A 56 0.551 4.649 -12.374 1.00 0.00 C ATOM 794 CE LYS A 56 0.480 4.640 -13.904 1.00 0.00 C ATOM 795 NZ LYS A 56 1.502 5.572 -14.458 1.00 0.00 N ATOM 0 H LYS A 56 2.401 3.582 -7.996 1.00 0.00 H new ATOM 0 HA LYS A 56 3.250 2.289 -10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.050 3.505 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.925 5.024 -9.995 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.713 4.609 -12.306 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.973 3.020 -12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.286 4.088 -11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.466 5.670 -12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.651 3.631 -14.280 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.515 4.938 -14.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.274 5.788 -15.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.506 6.452 -13.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.441 5.127 -14.408 1.00 0.00 H new ATOM 809 N GLN A 57 4.681 5.177 -9.688 1.00 0.00 N ATOM 810 CA GLN A 57 5.849 6.037 -10.041 1.00 0.00 C ATOM 811 C GLN A 57 7.147 5.279 -9.768 1.00 0.00 C ATOM 812 O GLN A 57 8.065 5.298 -10.562 1.00 0.00 O ATOM 813 CB GLN A 57 5.818 7.312 -9.185 1.00 0.00 C ATOM 814 CG GLN A 57 4.630 8.180 -9.607 1.00 0.00 C ATOM 815 CD GLN A 57 4.593 9.461 -8.767 1.00 0.00 C ATOM 816 OE1 GLN A 57 4.912 9.411 -7.503 1.00 0.00 O flip ATOM 817 NE2 GLN A 57 4.269 10.519 -9.267 1.00 0.00 N flip ATOM 0 H GLN A 57 4.127 5.508 -8.898 1.00 0.00 H new ATOM 0 HA GLN A 57 5.798 6.300 -11.098 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.736 7.053 -8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.749 7.867 -9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.710 8.431 -10.665 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.700 7.625 -9.480 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.019 10.561 -10.255 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.247 11.366 -8.699 1.00 0.00 H new ATOM 826 N VAL A 58 7.227 4.620 -8.645 1.00 0.00 N ATOM 827 CA VAL A 58 8.461 3.861 -8.298 1.00 0.00 C ATOM 828 C VAL A 58 8.642 2.719 -9.294 1.00 0.00 C ATOM 829 O VAL A 58 9.725 2.475 -9.783 1.00 0.00 O ATOM 830 CB VAL A 58 8.327 3.289 -6.879 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.501 2.348 -6.590 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.335 4.441 -5.867 1.00 0.00 C ATOM 0 H VAL A 58 6.484 4.575 -7.948 1.00 0.00 H new ATOM 0 HA VAL A 58 9.325 4.524 -8.340 1.00 0.00 H new ATOM 0 HB VAL A 58 7.392 2.734 -6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.404 1.943 -5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.498 1.531 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.438 2.900 -6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.240 4.040 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.271 4.993 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.499 5.111 -6.071 1.00 0.00 H new ATOM 842 N TYR A 59 7.582 2.014 -9.589 1.00 0.00 N ATOM 843 CA TYR A 59 7.664 0.870 -10.550 1.00 0.00 C ATOM 844 C TYR A 59 7.002 1.262 -11.871 1.00 0.00 C ATOM 845 O TYR A 59 7.091 2.387 -12.315 1.00 0.00 O ATOM 846 CB TYR A 59 6.925 -0.347 -9.960 1.00 0.00 C ATOM 847 CG TYR A 59 7.464 -1.615 -10.589 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.805 -1.971 -10.389 1.00 0.00 C ATOM 849 CD2 TYR A 59 6.635 -2.427 -11.375 1.00 0.00 C ATOM 850 CE1 TYR A 59 9.313 -3.136 -10.970 1.00 0.00 C ATOM 851 CE2 TYR A 59 7.144 -3.592 -11.954 1.00 0.00 C ATOM 852 CZ TYR A 59 8.484 -3.946 -11.754 1.00 0.00 C ATOM 853 OH TYR A 59 8.986 -5.095 -12.327 1.00 0.00 O ATOM 0 H TYR A 59 6.653 2.182 -9.202 1.00 0.00 H new ATOM 0 HA TYR A 59 8.711 0.620 -10.724 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.059 -0.379 -8.879 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.854 -0.262 -10.146 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.446 -1.345 -9.786 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.603 -2.152 -11.533 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.346 -3.411 -10.814 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.504 -4.220 -12.556 1.00 0.00 H new ATOM 0 HH TYR A 59 9.841 -5.324 -11.906 1.00 0.00 H new ATOM 863 N ALA A 60 6.338 0.326 -12.497 1.00 0.00 N ATOM 864 CA ALA A 60 5.658 0.613 -13.793 1.00 0.00 C ATOM 865 C ALA A 60 4.658 -0.501 -14.126 1.00 0.00 C ATOM 866 O ALA A 60 4.994 -1.668 -14.186 1.00 0.00 O ATOM 867 CB ALA A 60 6.704 0.711 -14.903 1.00 0.00 C ATOM 0 H ALA A 60 6.237 -0.632 -12.163 1.00 0.00 H new ATOM 0 HA ALA A 60 5.119 1.557 -13.711 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.209 0.921 -15.851 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.404 1.514 -14.673 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.246 -0.232 -14.977 1.00 0.00 H new ATOM 873 N ASN A 61 3.425 -0.127 -14.354 1.00 0.00 N ATOM 874 CA ASN A 61 2.360 -1.116 -14.694 1.00 0.00 C ATOM 875 C ASN A 61 2.256 -2.144 -13.572 1.00 0.00 C ATOM 876 O ASN A 61 2.016 -3.312 -13.795 1.00 0.00 O ATOM 877 CB ASN A 61 2.709 -1.799 -16.023 1.00 0.00 C ATOM 878 CG ASN A 61 1.453 -2.436 -16.620 1.00 0.00 C ATOM 879 OD1 ASN A 61 0.536 -2.787 -15.904 1.00 0.00 O ATOM 880 ND2 ASN A 61 1.366 -2.589 -17.911 1.00 0.00 N ATOM 0 H ASN A 61 3.106 0.841 -14.318 1.00 0.00 H new ATOM 0 HA ASN A 61 1.399 -0.613 -14.801 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.125 -1.071 -16.719 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.473 -2.560 -15.863 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.528 -3.003 -18.320 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.135 -2.295 -18.512 1.00 0.00 H new ATOM 887 N VAL A 62 2.438 -1.695 -12.360 1.00 0.00 N ATOM 888 CA VAL A 62 2.369 -2.604 -11.180 1.00 0.00 C ATOM 889 C VAL A 62 0.946 -3.110 -10.977 1.00 0.00 C ATOM 890 O VAL A 62 -0.016 -2.383 -11.112 1.00 0.00 O ATOM 891 CB VAL A 62 2.836 -1.844 -9.930 1.00 0.00 C ATOM 892 CG1 VAL A 62 2.028 -0.552 -9.762 1.00 0.00 C ATOM 893 CG2 VAL A 62 2.643 -2.725 -8.693 1.00 0.00 C ATOM 0 H VAL A 62 2.635 -0.720 -12.134 1.00 0.00 H new ATOM 0 HA VAL A 62 3.018 -3.463 -11.353 1.00 0.00 H new ATOM 0 HB VAL A 62 3.891 -1.593 -10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.369 -0.023 -8.872 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.169 0.082 -10.638 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.971 -0.795 -9.657 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.975 -2.185 -7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.588 -2.980 -8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.228 -3.638 -8.802 1.00 0.00 H new ATOM 903 N GLU A 63 0.822 -4.368 -10.646 1.00 0.00 N ATOM 904 CA GLU A 63 -0.520 -4.983 -10.418 1.00 0.00 C ATOM 905 C GLU A 63 -0.623 -5.442 -8.965 1.00 0.00 C ATOM 906 O GLU A 63 0.349 -5.831 -8.349 1.00 0.00 O ATOM 907 CB GLU A 63 -0.694 -6.183 -11.355 1.00 0.00 C ATOM 908 CG GLU A 63 -2.122 -6.722 -11.238 1.00 0.00 C ATOM 909 CD GLU A 63 -3.108 -5.706 -11.825 1.00 0.00 C ATOM 910 OE1 GLU A 63 -2.656 -4.742 -12.423 1.00 0.00 O ATOM 911 OE2 GLU A 63 -4.298 -5.914 -11.672 1.00 0.00 O ATOM 0 H GLU A 63 1.607 -5.007 -10.522 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.302 -4.251 -10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.489 -5.887 -12.384 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.022 -6.964 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.207 -7.672 -11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.363 -6.915 -10.193 1.00 0.00 H new ATOM 918 N TYR A 64 -1.804 -5.383 -8.414 1.00 0.00 N ATOM 919 CA TYR A 64 -2.006 -5.794 -6.996 1.00 0.00 C ATOM 920 C TYR A 64 -3.407 -6.356 -6.790 1.00 0.00 C ATOM 921 O TYR A 64 -4.286 -6.214 -7.617 1.00 0.00 O ATOM 922 CB TYR A 64 -1.813 -4.583 -6.082 1.00 0.00 C ATOM 923 CG TYR A 64 -2.763 -3.473 -6.470 1.00 0.00 C ATOM 924 CD1 TYR A 64 -4.060 -3.442 -5.940 1.00 0.00 C ATOM 925 CD2 TYR A 64 -2.344 -2.469 -7.352 1.00 0.00 C ATOM 926 CE1 TYR A 64 -4.938 -2.408 -6.295 1.00 0.00 C ATOM 927 CE2 TYR A 64 -3.222 -1.436 -7.706 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.518 -1.406 -7.179 1.00 0.00 C ATOM 929 OH TYR A 64 -5.383 -0.389 -7.529 1.00 0.00 O ATOM 0 H TYR A 64 -2.647 -5.064 -8.891 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.278 -6.568 -6.754 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.985 -4.871 -5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.784 -4.229 -6.149 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.383 -4.215 -5.258 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.344 -2.491 -7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.938 -2.384 -5.887 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.898 -0.662 -8.386 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.141 -0.376 -6.908 1.00 0.00 H new ATOM 939 N GLU A 65 -3.606 -7.000 -5.673 1.00 0.00 N ATOM 940 CA GLU A 65 -4.934 -7.606 -5.351 1.00 0.00 C ATOM 941 C GLU A 65 -5.336 -7.224 -3.932 1.00 0.00 C ATOM 942 O GLU A 65 -4.507 -7.067 -3.058 1.00 0.00 O ATOM 943 CB GLU A 65 -4.830 -9.129 -5.455 1.00 0.00 C ATOM 944 CG GLU A 65 -4.617 -9.529 -6.916 1.00 0.00 C ATOM 945 CD GLU A 65 -5.862 -9.175 -7.733 1.00 0.00 C ATOM 946 OE1 GLU A 65 -6.943 -9.561 -7.326 1.00 0.00 O ATOM 947 OE2 GLU A 65 -5.709 -8.517 -8.750 1.00 0.00 O ATOM 0 H GLU A 65 -2.893 -7.135 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.683 -7.239 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.003 -9.490 -4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.738 -9.593 -5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.746 -9.014 -7.321 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.416 -10.598 -6.985 1.00 0.00 H new ATOM 954 N VAL A 66 -6.613 -7.070 -3.707 1.00 0.00 N ATOM 955 CA VAL A 66 -7.121 -6.685 -2.349 1.00 0.00 C ATOM 956 C VAL A 66 -8.075 -7.755 -1.827 1.00 0.00 C ATOM 957 O VAL A 66 -8.984 -8.197 -2.508 1.00 0.00 O ATOM 958 CB VAL A 66 -7.846 -5.337 -2.443 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.353 -4.933 -1.057 1.00 0.00 C ATOM 960 CG2 VAL A 66 -6.871 -4.272 -2.960 1.00 0.00 C ATOM 0 H VAL A 66 -7.339 -7.195 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.282 -6.598 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.690 -5.423 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.868 -3.975 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.043 -5.691 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.509 -4.845 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.383 -3.312 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.029 -4.186 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.507 -4.560 -3.946 1.00 0.00 H new ATOM 970 N ALA A 67 -7.855 -8.178 -0.611 1.00 0.00 N ATOM 971 CA ALA A 67 -8.712 -9.226 -0.001 1.00 0.00 C ATOM 972 C ALA A 67 -10.022 -8.591 0.488 1.00 0.00 C ATOM 973 O ALA A 67 -10.074 -7.411 0.762 1.00 0.00 O ATOM 974 CB ALA A 67 -7.969 -9.872 1.183 1.00 0.00 C ATOM 0 H ALA A 67 -7.106 -7.835 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.938 -9.993 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.598 -10.641 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.042 -10.322 0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.741 -9.110 1.929 1.00 0.00 H new ATOM 980 N PRO A 68 -11.069 -9.374 0.602 1.00 0.00 N ATOM 981 CA PRO A 68 -12.396 -8.879 1.071 1.00 0.00 C ATOM 982 C PRO A 68 -12.299 -7.983 2.307 1.00 0.00 C ATOM 983 O PRO A 68 -11.705 -8.337 3.305 1.00 0.00 O ATOM 984 CB PRO A 68 -13.156 -10.175 1.398 1.00 0.00 C ATOM 985 CG PRO A 68 -12.570 -11.203 0.486 1.00 0.00 C ATOM 986 CD PRO A 68 -11.106 -10.815 0.285 1.00 0.00 C ATOM 0 HA PRO A 68 -12.882 -8.254 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.028 -10.455 2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.226 -10.059 1.228 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.652 -12.199 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.100 -11.225 -0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.449 -11.385 0.942 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.779 -11.007 -0.737 1.00 0.00 H new ATOM 994 N VAL A 69 -12.893 -6.819 2.234 1.00 0.00 N ATOM 995 CA VAL A 69 -12.868 -5.861 3.384 1.00 0.00 C ATOM 996 C VAL A 69 -14.281 -5.354 3.675 1.00 0.00 C ATOM 997 O VAL A 69 -15.005 -4.933 2.794 1.00 0.00 O ATOM 998 CB VAL A 69 -11.954 -4.678 3.044 1.00 0.00 C ATOM 999 CG1 VAL A 69 -12.152 -3.563 4.082 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.490 -5.139 3.064 1.00 0.00 C ATOM 0 H VAL A 69 -13.402 -6.486 1.415 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.487 -6.373 4.268 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.203 -4.301 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.502 -2.722 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.191 -3.234 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.903 -3.941 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.840 -4.298 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.241 -5.517 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.348 -5.930 2.328 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.656 -5.375 4.921 1.00 0.00 N ATOM 1011 CA ALA A 70 -16.005 -4.892 5.328 1.00 0.00 C ATOM 1012 C ALA A 70 -16.063 -3.367 5.252 1.00 0.00 C ATOM 1013 O ALA A 70 -15.070 -2.681 5.398 1.00 0.00 O ATOM 1014 CB ALA A 70 -16.298 -5.345 6.761 1.00 0.00 C ATOM 0 H ALA A 70 -14.075 -5.712 5.689 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.751 -5.309 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.285 -4.992 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.272 -6.434 6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.546 -4.932 7.434 1.00 0.00 H new ATOM 1020 N ASP A 71 -17.232 -2.841 5.021 1.00 0.00 N ATOM 1021 CA ASP A 71 -17.403 -1.365 4.923 1.00 0.00 C ATOM 1022 C ASP A 71 -17.064 -0.720 6.264 1.00 0.00 C ATOM 1023 O ASP A 71 -16.530 0.370 6.321 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.859 -1.042 4.563 1.00 0.00 C ATOM 1025 CG ASP A 71 -19.809 -1.664 5.596 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -19.342 -2.422 6.429 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -20.994 -1.376 5.526 1.00 0.00 O ATOM 0 H ASP A 71 -18.089 -3.379 4.894 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.738 -0.976 4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.002 0.038 4.530 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.089 -1.425 3.569 1.00 0.00 H new ATOM 1032 N ASN A 72 -17.377 -1.384 7.342 1.00 0.00 N ATOM 1033 CA ASN A 72 -17.090 -0.822 8.696 1.00 0.00 C ATOM 1034 C ASN A 72 -15.752 -1.382 9.195 1.00 0.00 C ATOM 1035 O ASN A 72 -15.431 -1.304 10.362 1.00 0.00 O ATOM 1036 CB ASN A 72 -18.218 -1.224 9.661 1.00 0.00 C ATOM 1037 CG ASN A 72 -19.494 -0.452 9.314 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -19.446 0.559 8.643 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -20.645 -0.890 9.750 1.00 0.00 N ATOM 0 H ASN A 72 -17.824 -2.301 7.345 1.00 0.00 H new ATOM 0 HA ASN A 72 -17.032 0.265 8.646 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.401 -2.296 9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.922 -1.014 10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -21.501 -0.383 9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -20.687 -1.739 10.314 1.00 0.00 H new ATOM 1046 N ALA A 73 -14.976 -1.951 8.308 1.00 0.00 N ATOM 1047 CA ALA A 73 -13.653 -2.535 8.699 1.00 0.00 C ATOM 1048 C ALA A 73 -12.735 -1.457 9.272 1.00 0.00 C ATOM 1049 O ALA A 73 -12.772 -0.310 8.877 1.00 0.00 O ATOM 1050 CB ALA A 73 -12.990 -3.161 7.468 1.00 0.00 C ATOM 0 H ALA A 73 -15.204 -2.038 7.318 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.820 -3.295 9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.027 -3.587 7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.631 -3.947 7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.839 -2.395 6.707 1.00 0.00 H new ATOM 1056 N THR A 74 -11.905 -1.836 10.213 1.00 0.00 N ATOM 1057 CA THR A 74 -10.961 -0.865 10.853 1.00 0.00 C ATOM 1058 C THR A 74 -9.580 -0.996 10.208 1.00 0.00 C ATOM 1059 O THR A 74 -8.660 -0.277 10.545 1.00 0.00 O ATOM 1060 CB THR A 74 -10.851 -1.174 12.353 1.00 0.00 C ATOM 1061 OG1 THR A 74 -10.238 -2.444 12.546 1.00 0.00 O ATOM 1062 CG2 THR A 74 -12.247 -1.185 12.978 1.00 0.00 C ATOM 0 H THR A 74 -11.840 -2.789 10.570 1.00 0.00 H new ATOM 0 HA THR A 74 -11.334 0.150 10.714 1.00 0.00 H new ATOM 0 HB THR A 74 -10.242 -0.406 12.829 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.170 -2.632 13.505 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.167 -1.404 14.043 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.714 -0.209 12.843 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.856 -1.949 12.495 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.427 -1.902 9.278 1.00 0.00 N ATOM 1071 CA GLU A 75 -8.103 -2.073 8.606 1.00 0.00 C ATOM 1072 C GLU A 75 -8.283 -2.709 7.230 1.00 0.00 C ATOM 1073 O GLU A 75 -9.287 -3.328 6.937 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.196 -2.956 9.463 1.00 0.00 C ATOM 1075 CG GLU A 75 -7.870 -4.310 9.732 1.00 0.00 C ATOM 1076 CD GLU A 75 -7.737 -5.214 8.502 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -6.698 -5.167 7.865 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -8.674 -5.944 8.224 1.00 0.00 O ATOM 0 H GLU A 75 -10.161 -2.531 8.954 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.645 -1.091 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.243 -3.111 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.978 -2.457 10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.411 -4.789 10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.923 -4.160 9.972 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.300 -2.553 6.386 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.362 -3.127 5.009 1.00 0.00 C ATOM 1087 C LEU A 76 -6.107 -3.950 4.733 1.00 0.00 C ATOM 1088 O LEU A 76 -5.001 -3.541 5.026 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.463 -1.988 3.994 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.477 -2.570 2.554 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.518 -1.837 1.706 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.094 -2.402 1.906 1.00 0.00 C ATOM 0 H LEU A 76 -6.441 -2.044 6.595 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.236 -3.773 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.369 -1.409 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.621 -1.306 4.113 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.728 -3.629 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.522 -2.250 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.504 -1.961 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.270 -0.776 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.113 -2.813 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.839 -1.343 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.348 -2.931 2.499 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.288 -5.113 4.163 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.133 -6.011 3.845 1.00 0.00 C ATOM 1106 C HIS A 77 -5.037 -6.221 2.336 1.00 0.00 C ATOM 1107 O HIS A 77 -5.969 -6.655 1.681 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.332 -7.359 4.539 1.00 0.00 C ATOM 1109 CG HIS A 77 -4.109 -8.207 4.327 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -2.910 -7.944 4.971 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -3.879 -9.309 3.542 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -2.022 -8.869 4.565 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -2.560 -9.726 3.694 1.00 0.00 N ATOM 0 H HIS A 77 -7.200 -5.486 3.900 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.211 -5.550 4.199 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.507 -7.211 5.605 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.212 -7.862 4.138 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.611 -9.781 2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.997 -8.913 4.903 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.103 -10.516 3.238 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.895 -5.917 1.787 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.680 -6.086 0.322 1.00 0.00 C ATOM 1123 C ALA A 78 -2.200 -6.327 0.047 1.00 0.00 C ATOM 1124 O ALA A 78 -1.345 -6.015 0.853 1.00 0.00 O ATOM 1125 CB ALA A 78 -4.135 -4.830 -0.416 1.00 0.00 C ATOM 0 H ALA A 78 -3.090 -5.554 2.298 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.260 -6.940 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.976 -4.959 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.194 -4.659 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.560 -3.973 -0.064 1.00 0.00 H new ATOM 1131 N ARG A 79 -1.899 -6.889 -1.091 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.477 -7.181 -1.458 1.00 0.00 C ATOM 1133 C ARG A 79 -0.163 -6.585 -2.821 1.00 0.00 C ATOM 1134 O ARG A 79 -1.019 -6.465 -3.675 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.264 -8.694 -1.507 1.00 0.00 C ATOM 1136 CG ARG A 79 -0.375 -9.270 -0.095 1.00 0.00 C ATOM 1137 CD ARG A 79 -0.163 -10.784 -0.147 1.00 0.00 C ATOM 1138 NE ARG A 79 -0.319 -11.359 1.223 1.00 0.00 N ATOM 1139 CZ ARG A 79 0.690 -11.391 2.058 1.00 0.00 C ATOM 1140 NH1 ARG A 79 1.859 -10.916 1.713 1.00 0.00 N ATOM 1141 NH2 ARG A 79 0.527 -11.905 3.244 1.00 0.00 N ATOM 0 H ARG A 79 -2.585 -7.163 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 79 0.183 -6.741 -0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.006 -9.156 -2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.716 -8.921 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.367 -8.810 0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.354 -9.043 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.883 -11.239 -0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.830 -11.009 -0.536 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.223 -11.732 1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.993 -10.515 0.785 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.637 -10.947 2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.382 -12.279 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.308 -11.933 3.899 1.00 0.00 H new ATOM 1155 N PHE A 80 1.071 -6.210 -3.019 1.00 0.00 N ATOM 1156 CA PHE A 80 1.500 -5.602 -4.318 1.00 0.00 C ATOM 1157 C PHE A 80 2.635 -6.418 -4.913 1.00 0.00 C ATOM 1158 O PHE A 80 3.420 -7.024 -4.214 1.00 0.00 O ATOM 1159 CB PHE A 80 1.978 -4.168 -4.075 1.00 0.00 C ATOM 1160 CG PHE A 80 0.783 -3.280 -3.822 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.089 -3.366 -2.609 1.00 0.00 C ATOM 1162 CD2 PHE A 80 0.368 -2.369 -4.803 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -1.020 -2.542 -2.378 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.739 -1.547 -4.570 1.00 0.00 C ATOM 1165 CZ PHE A 80 -1.434 -1.634 -3.358 1.00 0.00 C ATOM 0 H PHE A 80 1.814 -6.299 -2.326 1.00 0.00 H new ATOM 0 HA PHE A 80 0.658 -5.595 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.655 -4.138 -3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.537 -3.808 -4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.408 -4.067 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.903 -2.302 -5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.556 -2.608 -1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.058 -0.844 -5.326 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.290 -1.000 -3.180 1.00 0.00 H new ATOM 1175 N LYS A 81 2.716 -6.438 -6.214 1.00 0.00 N ATOM 1176 CA LYS A 81 3.786 -7.217 -6.907 1.00 0.00 C ATOM 1177 C LYS A 81 4.801 -6.256 -7.513 1.00 0.00 C ATOM 1178 O LYS A 81 4.500 -5.494 -8.410 1.00 0.00 O ATOM 1179 CB LYS A 81 3.154 -8.065 -8.009 1.00 0.00 C ATOM 1180 CG LYS A 81 2.138 -9.026 -7.386 1.00 0.00 C ATOM 1181 CD LYS A 81 1.591 -9.979 -8.458 1.00 0.00 C ATOM 1182 CE LYS A 81 0.686 -9.218 -9.429 1.00 0.00 C ATOM 1183 NZ LYS A 81 -0.148 -10.186 -10.193 1.00 0.00 N ATOM 0 H LYS A 81 2.079 -5.942 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 81 4.291 -7.867 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.664 -7.424 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.924 -8.625 -8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.609 -9.597 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.320 -8.463 -6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.416 -10.438 -9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.032 -10.787 -7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.048 -8.525 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.289 -8.622 -10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.763 -9.669 -10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.469 -10.830 -10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.734 -10.736 -9.533 1.00 0.00 H new ATOM 1197 N PHE A 82 6.007 -6.302 -7.022 1.00 0.00 N ATOM 1198 CA PHE A 82 7.091 -5.411 -7.543 1.00 0.00 C ATOM 1199 C PHE A 82 8.104 -6.267 -8.293 1.00 0.00 C ATOM 1200 O PHE A 82 9.079 -5.768 -8.813 1.00 0.00 O ATOM 1201 CB PHE A 82 7.778 -4.700 -6.373 1.00 0.00 C ATOM 1202 CG PHE A 82 6.895 -3.580 -5.873 1.00 0.00 C ATOM 1203 CD1 PHE A 82 6.848 -2.367 -6.571 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.129 -3.750 -4.715 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.037 -1.325 -6.109 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.316 -2.708 -4.253 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.270 -1.495 -4.950 1.00 0.00 C ATOM 0 H PHE A 82 6.296 -6.928 -6.270 1.00 0.00 H new ATOM 0 HA PHE A 82 6.670 -4.662 -8.213 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.975 -5.409 -5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.742 -4.303 -6.691 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.438 -2.236 -7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.165 -4.686 -4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.002 -0.389 -6.647 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.725 -2.840 -3.359 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.643 -0.691 -4.594 1.00 0.00 H new ATOM 1217 N GLU A 83 7.876 -7.555 -8.338 1.00 0.00 N ATOM 1218 CA GLU A 83 8.805 -8.482 -9.048 1.00 0.00 C ATOM 1219 C GLU A 83 10.167 -8.457 -8.358 1.00 0.00 C ATOM 1220 O GLU A 83 10.959 -9.367 -8.495 1.00 0.00 O ATOM 1221 CB GLU A 83 8.961 -8.041 -10.505 1.00 0.00 C ATOM 1222 CG GLU A 83 7.581 -7.773 -11.109 1.00 0.00 C ATOM 1223 CD GLU A 83 6.756 -9.064 -11.125 1.00 0.00 C ATOM 1224 OE1 GLU A 83 7.268 -10.065 -11.595 1.00 0.00 O ATOM 1225 OE2 GLU A 83 5.625 -9.028 -10.665 1.00 0.00 O ATOM 0 H GLU A 83 7.072 -8.009 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 83 8.399 -9.493 -9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.574 -7.142 -10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.476 -8.813 -11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.064 -7.008 -10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.687 -7.387 -12.123 1.00 0.00 H new ATOM 1232 N VAL A 84 10.441 -7.413 -7.618 1.00 0.00 N ATOM 1233 CA VAL A 84 11.747 -7.294 -6.912 1.00 0.00 C ATOM 1234 C VAL A 84 11.512 -6.852 -5.463 1.00 0.00 C ATOM 1235 O VAL A 84 10.762 -5.938 -5.186 1.00 0.00 O ATOM 1236 CB VAL A 84 12.617 -6.271 -7.648 1.00 0.00 C ATOM 1237 CG1 VAL A 84 12.547 -6.540 -9.156 1.00 0.00 C ATOM 1238 CG2 VAL A 84 12.124 -4.846 -7.367 1.00 0.00 C ATOM 0 H VAL A 84 9.805 -6.629 -7.473 1.00 0.00 H new ATOM 0 HA VAL A 84 12.255 -8.258 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 84 13.645 -6.365 -7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.165 -5.814 -9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.912 -7.546 -9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.514 -6.452 -9.494 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.754 -4.132 -7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.093 -4.744 -7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.174 -4.648 -6.296 1.00 0.00 H new ATOM 1248 N SER A 85 12.162 -7.510 -4.550 1.00 0.00 N ATOM 1249 CA SER A 85 12.021 -7.176 -3.105 1.00 0.00 C ATOM 1250 C SER A 85 12.569 -5.773 -2.832 1.00 0.00 C ATOM 1251 O SER A 85 12.008 -5.017 -2.068 1.00 0.00 O ATOM 1252 CB SER A 85 12.810 -8.194 -2.277 1.00 0.00 C ATOM 1253 OG SER A 85 12.920 -7.731 -0.938 1.00 0.00 O ATOM 0 H SER A 85 12.799 -8.282 -4.746 1.00 0.00 H new ATOM 0 HA SER A 85 10.966 -7.206 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.310 -9.162 -2.298 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.802 -8.338 -2.706 1.00 0.00 H new ATOM 0 HG SER A 85 13.424 -8.383 -0.407 1.00 0.00 H new ATOM 1259 N ALA A 86 13.674 -5.435 -3.437 1.00 0.00 N ATOM 1260 CA ALA A 86 14.294 -4.093 -3.207 1.00 0.00 C ATOM 1261 C ALA A 86 13.212 -3.015 -3.161 1.00 0.00 C ATOM 1262 O ALA A 86 13.282 -2.080 -2.387 1.00 0.00 O ATOM 1263 CB ALA A 86 15.268 -3.782 -4.350 1.00 0.00 C ATOM 0 H ALA A 86 14.181 -6.035 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 86 14.827 -4.105 -2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.722 -2.805 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.047 -4.543 -4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.728 -3.777 -5.297 1.00 0.00 H new ATOM 1269 N GLU A 87 12.215 -3.139 -3.989 1.00 0.00 N ATOM 1270 CA GLU A 87 11.122 -2.128 -4.007 1.00 0.00 C ATOM 1271 C GLU A 87 10.295 -2.248 -2.729 1.00 0.00 C ATOM 1272 O GLU A 87 9.759 -1.282 -2.233 1.00 0.00 O ATOM 1273 CB GLU A 87 10.220 -2.381 -5.244 1.00 0.00 C ATOM 1274 CG GLU A 87 10.262 -1.170 -6.179 1.00 0.00 C ATOM 1275 CD GLU A 87 11.665 -1.028 -6.773 1.00 0.00 C ATOM 1276 OE1 GLU A 87 12.415 -1.990 -6.711 1.00 0.00 O ATOM 1277 OE2 GLU A 87 11.968 0.041 -7.272 1.00 0.00 O ATOM 0 H GLU A 87 12.109 -3.901 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 87 11.546 -1.125 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.557 -3.272 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.195 -2.569 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.529 -1.288 -6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.995 -0.266 -5.632 1.00 0.00 H new ATOM 1284 N LYS A 88 10.170 -3.438 -2.221 1.00 0.00 N ATOM 1285 CA LYS A 88 9.364 -3.662 -0.990 1.00 0.00 C ATOM 1286 C LYS A 88 9.967 -2.880 0.175 1.00 0.00 C ATOM 1287 O LYS A 88 9.269 -2.219 0.917 1.00 0.00 O ATOM 1288 CB LYS A 88 9.386 -5.162 -0.656 1.00 0.00 C ATOM 1289 CG LYS A 88 8.524 -5.433 0.575 1.00 0.00 C ATOM 1290 CD LYS A 88 8.486 -6.939 0.849 1.00 0.00 C ATOM 1291 CE LYS A 88 7.606 -7.219 2.068 1.00 0.00 C ATOM 1292 NZ LYS A 88 8.285 -6.722 3.297 1.00 0.00 N ATOM 0 H LYS A 88 10.598 -4.278 -2.611 1.00 0.00 H new ATOM 0 HA LYS A 88 8.341 -3.325 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.015 -5.738 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.410 -5.488 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.928 -4.905 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.514 -5.056 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.097 -7.467 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.495 -7.312 1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.639 -6.730 1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.414 -8.289 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.814 -7.115 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.281 -7.020 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.235 -5.684 3.326 1.00 0.00 H new ATOM 1306 N LEU A 89 11.258 -2.973 0.350 1.00 0.00 N ATOM 1307 CA LEU A 89 11.926 -2.260 1.479 1.00 0.00 C ATOM 1308 C LEU A 89 11.803 -0.748 1.303 1.00 0.00 C ATOM 1309 O LEU A 89 11.449 -0.035 2.221 1.00 0.00 O ATOM 1310 CB LEU A 89 13.414 -2.640 1.485 1.00 0.00 C ATOM 1311 CG LEU A 89 13.560 -4.138 1.783 1.00 0.00 C ATOM 1312 CD1 LEU A 89 15.022 -4.558 1.605 1.00 0.00 C ATOM 1313 CD2 LEU A 89 13.107 -4.435 3.227 1.00 0.00 C ATOM 0 H LEU A 89 11.884 -3.516 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 89 11.449 -2.546 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.864 -2.405 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.946 -2.056 2.236 1.00 0.00 H new ATOM 0 HG LEU A 89 12.934 -4.702 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.123 -5.622 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.335 -4.361 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.650 -3.990 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.214 -5.501 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.723 -3.869 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.063 -4.146 3.348 1.00 0.00 H new ATOM 1325 N ILE A 90 12.099 -0.258 0.131 1.00 0.00 N ATOM 1326 CA ILE A 90 12.008 1.209 -0.125 1.00 0.00 C ATOM 1327 C ILE A 90 10.536 1.642 -0.126 1.00 0.00 C ATOM 1328 O ILE A 90 10.174 2.650 0.444 1.00 0.00 O ATOM 1329 CB ILE A 90 12.657 1.524 -1.485 1.00 0.00 C ATOM 1330 CG1 ILE A 90 14.165 1.258 -1.396 1.00 0.00 C ATOM 1331 CG2 ILE A 90 12.426 2.995 -1.843 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.794 1.330 -2.792 1.00 0.00 C ATOM 0 H ILE A 90 12.403 -0.815 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 90 12.533 1.755 0.659 1.00 0.00 H new ATOM 0 HB ILE A 90 12.211 0.892 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.634 1.991 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.344 0.276 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.888 3.212 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.355 3.192 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.870 3.630 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.865 1.140 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.336 0.580 -3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.630 2.321 -3.214 1.00 0.00 H new ATOM 1344 N PHE A 91 9.693 0.879 -0.768 1.00 0.00 N ATOM 1345 CA PHE A 91 8.240 1.219 -0.825 1.00 0.00 C ATOM 1346 C PHE A 91 7.662 1.208 0.588 1.00 0.00 C ATOM 1347 O PHE A 91 6.915 2.086 0.973 1.00 0.00 O ATOM 1348 CB PHE A 91 7.505 0.177 -1.684 1.00 0.00 C ATOM 1349 CG PHE A 91 6.035 0.528 -1.763 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.619 1.629 -2.522 1.00 0.00 C ATOM 1351 CD2 PHE A 91 5.088 -0.247 -1.079 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.260 1.957 -2.596 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.729 0.081 -1.154 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.315 1.183 -1.912 1.00 0.00 C ATOM 0 H PHE A 91 9.951 0.024 -1.261 1.00 0.00 H new ATOM 0 HA PHE A 91 8.114 2.209 -1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.936 0.147 -2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.629 -0.817 -1.253 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.347 2.226 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.407 -1.097 -0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.941 2.807 -3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.000 -0.516 -0.627 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.267 1.436 -1.969 1.00 0.00 H new ATOM 1364 N GLU A 92 7.998 0.208 1.356 1.00 0.00 N ATOM 1365 CA GLU A 92 7.476 0.107 2.747 1.00 0.00 C ATOM 1366 C GLU A 92 7.988 1.291 3.566 1.00 0.00 C ATOM 1367 O GLU A 92 7.260 1.887 4.335 1.00 0.00 O ATOM 1368 CB GLU A 92 7.973 -1.202 3.383 1.00 0.00 C ATOM 1369 CG GLU A 92 7.359 -1.356 4.778 1.00 0.00 C ATOM 1370 CD GLU A 92 7.799 -2.686 5.399 1.00 0.00 C ATOM 1371 OE1 GLU A 92 8.725 -3.287 4.877 1.00 0.00 O ATOM 1372 OE2 GLU A 92 7.205 -3.078 6.391 1.00 0.00 O ATOM 0 H GLU A 92 8.619 -0.551 1.075 1.00 0.00 H new ATOM 0 HA GLU A 92 6.386 0.116 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.698 -2.051 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.061 -1.196 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.669 -0.527 5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.272 -1.318 4.712 1.00 0.00 H new ATOM 1379 N LEU A 93 9.240 1.622 3.415 1.00 0.00 N ATOM 1380 CA LEU A 93 9.820 2.752 4.192 1.00 0.00 C ATOM 1381 C LEU A 93 9.116 4.058 3.805 1.00 0.00 C ATOM 1382 O LEU A 93 8.722 4.844 4.645 1.00 0.00 O ATOM 1383 CB LEU A 93 11.324 2.872 3.854 1.00 0.00 C ATOM 1384 CG LEU A 93 12.068 3.525 5.026 1.00 0.00 C ATOM 1385 CD1 LEU A 93 13.570 3.546 4.739 1.00 0.00 C ATOM 1386 CD2 LEU A 93 11.559 4.960 5.240 1.00 0.00 C ATOM 0 H LEU A 93 9.890 1.155 2.783 1.00 0.00 H new ATOM 0 HA LEU A 93 9.687 2.569 5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.741 1.885 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.457 3.466 2.950 1.00 0.00 H new ATOM 0 HG LEU A 93 11.883 2.945 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.094 4.011 5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.930 2.525 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.759 4.117 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.093 5.415 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.730 5.545 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.492 4.938 5.461 1.00 0.00 H new ATOM 1398 N LYS A 94 8.967 4.291 2.532 1.00 0.00 N ATOM 1399 CA LYS A 94 8.311 5.543 2.060 1.00 0.00 C ATOM 1400 C LYS A 94 6.855 5.570 2.522 1.00 0.00 C ATOM 1401 O LYS A 94 6.360 6.571 3.001 1.00 0.00 O ATOM 1402 CB LYS A 94 8.345 5.580 0.527 1.00 0.00 C ATOM 1403 CG LYS A 94 9.781 5.799 0.039 1.00 0.00 C ATOM 1404 CD LYS A 94 9.825 5.725 -1.496 1.00 0.00 C ATOM 1405 CE LYS A 94 9.272 7.021 -2.100 1.00 0.00 C ATOM 1406 NZ LYS A 94 9.582 7.062 -3.555 1.00 0.00 N ATOM 0 H LYS A 94 9.274 3.662 1.790 1.00 0.00 H new ATOM 0 HA LYS A 94 8.840 6.403 2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.954 4.646 0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.702 6.380 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.146 6.769 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.440 5.044 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.850 5.566 -1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.240 4.873 -1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.194 7.076 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.711 7.884 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.207 7.941 -3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.612 7.028 -3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.143 6.245 -4.027 1.00 0.00 H new ATOM 1420 N THR A 95 6.172 4.470 2.373 1.00 0.00 N ATOM 1421 CA THR A 95 4.740 4.399 2.784 1.00 0.00 C ATOM 1422 C THR A 95 4.624 4.531 4.299 1.00 0.00 C ATOM 1423 O THR A 95 3.727 5.171 4.807 1.00 0.00 O ATOM 1424 CB THR A 95 4.162 3.046 2.346 1.00 0.00 C ATOM 1425 OG1 THR A 95 5.067 2.008 2.689 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.931 3.050 0.835 1.00 0.00 C ATOM 0 H THR A 95 6.548 3.607 1.980 1.00 0.00 H new ATOM 0 HA THR A 95 4.188 5.212 2.313 1.00 0.00 H new ATOM 0 HB THR A 95 3.212 2.878 2.854 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.636 1.802 1.918 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.521 2.088 0.527 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.230 3.843 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.878 3.221 0.323 1.00 0.00 H new ATOM 1434 N ARG A 96 5.517 3.920 5.020 1.00 0.00 N ATOM 1435 CA ARG A 96 5.464 3.992 6.502 1.00 0.00 C ATOM 1436 C ARG A 96 5.839 5.398 6.965 1.00 0.00 C ATOM 1437 O ARG A 96 5.579 5.779 8.086 1.00 0.00 O ATOM 1438 CB ARG A 96 6.444 2.975 7.105 1.00 0.00 C ATOM 1439 CG ARG A 96 6.056 2.696 8.569 1.00 0.00 C ATOM 1440 CD ARG A 96 5.011 1.575 8.616 1.00 0.00 C ATOM 1441 NE ARG A 96 4.587 1.346 10.025 1.00 0.00 N ATOM 1442 CZ ARG A 96 3.621 2.052 10.558 1.00 0.00 C ATOM 1443 NH1 ARG A 96 3.002 2.978 9.866 1.00 0.00 N ATOM 1444 NH2 ARG A 96 3.270 1.825 11.792 1.00 0.00 N ATOM 0 H ARG A 96 6.288 3.369 4.642 1.00 0.00 H new ATOM 0 HA ARG A 96 4.452 3.761 6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.425 2.050 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.462 3.361 7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.938 2.410 9.142 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.656 3.600 9.029 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.149 1.842 8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.427 0.659 8.197 1.00 0.00 H new ATOM 0 HE ARG A 96 5.055 0.631 10.582 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.271 3.157 8.898 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.252 3.519 10.295 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.746 1.103 12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.519 2.369 12.217 1.00 0.00 H new ATOM 1458 N ALA A 97 6.467 6.156 6.116 1.00 0.00 N ATOM 1459 CA ALA A 97 6.882 7.536 6.499 1.00 0.00 C ATOM 1460 C ALA A 97 5.685 8.475 6.418 1.00 0.00 C ATOM 1461 O ALA A 97 5.472 9.306 7.276 1.00 0.00 O ATOM 1462 CB ALA A 97 7.967 8.026 5.530 1.00 0.00 C ATOM 0 H ALA A 97 6.714 5.880 5.166 1.00 0.00 H new ATOM 0 HA ALA A 97 7.269 7.525 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.273 9.035 5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.828 7.359 5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.572 8.033 4.514 1.00 0.00 H new ATOM 1468 N LEU A 98 4.915 8.357 5.376 1.00 0.00 N ATOM 1469 CA LEU A 98 3.727 9.244 5.202 1.00 0.00 C ATOM 1470 C LEU A 98 2.518 8.603 5.880 1.00 0.00 C ATOM 1471 O LEU A 98 1.525 9.250 6.145 1.00 0.00 O ATOM 1472 CB LEU A 98 3.448 9.409 3.702 1.00 0.00 C ATOM 1473 CG LEU A 98 3.254 8.021 3.031 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.757 7.735 2.852 1.00 0.00 C ATOM 1475 CD2 LEU A 98 3.936 8.012 1.659 1.00 0.00 C ATOM 0 H LEU A 98 5.057 7.678 4.628 1.00 0.00 H new ATOM 0 HA LEU A 98 3.918 10.219 5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.556 10.018 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.275 9.937 3.228 1.00 0.00 H new ATOM 0 HG LEU A 98 3.698 7.254 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.626 6.761 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.267 7.736 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.312 8.505 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.798 7.037 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.494 8.783 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.001 8.209 1.781 1.00 0.00 H new ATOM 1487 N ALA A 99 2.592 7.327 6.139 1.00 0.00 N ATOM 1488 CA ALA A 99 1.450 6.612 6.781 1.00 0.00 C ATOM 1489 C ALA A 99 1.528 6.787 8.297 1.00 0.00 C ATOM 1490 O ALA A 99 0.531 6.984 8.958 1.00 0.00 O ATOM 1491 CB ALA A 99 1.536 5.120 6.445 1.00 0.00 C ATOM 0 H ALA A 99 3.402 6.742 5.932 1.00 0.00 H new ATOM 0 HA ALA A 99 0.510 7.022 6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.704 4.593 6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.489 4.987 5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.477 4.716 6.820 1.00 0.00 H new ATOM 1497 N ARG A 100 2.709 6.712 8.848 1.00 0.00 N ATOM 1498 CA ARG A 100 2.868 6.870 10.323 1.00 0.00 C ATOM 1499 C ARG A 100 2.457 8.286 10.717 1.00 0.00 C ATOM 1500 O ARG A 100 1.959 8.522 11.799 1.00 0.00 O ATOM 1501 CB ARG A 100 4.338 6.623 10.708 1.00 0.00 C ATOM 1502 CG ARG A 100 5.226 7.733 10.138 1.00 0.00 C ATOM 1503 CD ARG A 100 6.702 7.375 10.343 1.00 0.00 C ATOM 1504 NE ARG A 100 6.999 7.284 11.802 1.00 0.00 N ATOM 1505 CZ ARG A 100 7.279 8.356 12.495 1.00 0.00 C ATOM 1506 NH1 ARG A 100 7.289 9.533 11.924 1.00 0.00 N ATOM 1507 NH2 ARG A 100 7.554 8.249 13.765 1.00 0.00 N ATOM 0 H ARG A 100 3.576 6.547 8.337 1.00 0.00 H new ATOM 0 HA ARG A 100 2.238 6.150 10.846 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.437 6.589 11.793 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.664 5.655 10.328 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.019 7.867 9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.001 8.680 10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.927 6.426 9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.337 8.130 9.879 1.00 0.00 H new ATOM 0 HE ARG A 100 6.983 6.375 12.264 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.077 9.619 10.930 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.509 10.364 12.473 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.550 7.332 14.212 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.773 9.082 14.311 1.00 0.00 H new ATOM 1521 N LEU A 101 2.675 9.226 9.841 1.00 0.00 N ATOM 1522 CA LEU A 101 2.318 10.645 10.134 1.00 0.00 C ATOM 1523 C LEU A 101 0.801 10.820 10.116 1.00 0.00 C ATOM 1524 O LEU A 101 0.095 10.182 9.362 1.00 0.00 O ATOM 1525 CB LEU A 101 2.957 11.557 9.074 1.00 0.00 C ATOM 1526 CG LEU A 101 4.486 11.526 9.225 1.00 0.00 C ATOM 1527 CD1 LEU A 101 5.136 12.265 8.050 1.00 0.00 C ATOM 1528 CD2 LEU A 101 4.900 12.196 10.551 1.00 0.00 C ATOM 0 H LEU A 101 3.091 9.071 8.922 1.00 0.00 H new ATOM 0 HA LEU A 101 2.691 10.913 11.123 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.673 11.226 8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.590 12.577 9.188 1.00 0.00 H new ATOM 0 HG LEU A 101 4.821 10.489 9.231 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.220 12.241 8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.855 11.780 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.795 13.300 8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.985 12.169 10.649 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.561 13.232 10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.447 11.661 11.386 1.00 0.00 H new ATOM 1540 N GLU A 102 0.303 11.689 10.954 1.00 0.00 N ATOM 1541 CA GLU A 102 -1.167 11.939 11.014 1.00 0.00 C ATOM 1542 C GLU A 102 -1.432 13.299 11.662 1.00 0.00 C ATOM 1543 O GLU A 102 -1.130 13.527 12.818 1.00 0.00 O ATOM 1544 CB GLU A 102 -1.852 10.837 11.825 1.00 0.00 C ATOM 1545 CG GLU A 102 -3.366 11.072 11.804 1.00 0.00 C ATOM 1546 CD GLU A 102 -4.084 9.923 12.515 1.00 0.00 C ATOM 1547 OE1 GLU A 102 -3.413 9.143 13.170 1.00 0.00 O ATOM 1548 OE2 GLU A 102 -5.296 9.842 12.391 1.00 0.00 O ATOM 0 H GLU A 102 0.858 12.243 11.607 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.571 11.937 10.001 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.617 9.859 11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.484 10.841 12.851 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.602 12.017 12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.716 11.149 10.775 1.00 0.00 H new ATOM 1555 N HIS A 103 -2.001 14.198 10.908 1.00 0.00 N ATOM 1556 CA HIS A 103 -2.314 15.565 11.422 1.00 0.00 C ATOM 1557 C HIS A 103 -1.158 16.084 12.277 1.00 0.00 C ATOM 1558 O HIS A 103 -0.221 16.676 11.783 1.00 0.00 O ATOM 1559 CB HIS A 103 -3.587 15.512 12.273 1.00 0.00 C ATOM 1560 CG HIS A 103 -4.776 15.236 11.391 1.00 0.00 C ATOM 1561 ND1 HIS A 103 -5.236 16.156 10.461 1.00 0.00 N ATOM 1562 CD2 HIS A 103 -5.612 14.152 11.289 1.00 0.00 C ATOM 1563 CE1 HIS A 103 -6.305 15.613 9.846 1.00 0.00 C ATOM 1564 NE2 HIS A 103 -6.577 14.391 10.314 1.00 0.00 N ATOM 0 H HIS A 103 -2.269 14.041 9.936 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.462 16.235 10.575 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -3.497 14.735 13.032 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -3.724 16.457 12.799 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.533 13.249 11.877 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -6.872 16.105 9.070 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -7.329 13.768 10.020 1.00 0.00 H new ATOM 1572 N HIS A 104 -1.233 15.859 13.558 1.00 0.00 N ATOM 1573 CA HIS A 104 -0.164 16.322 14.491 1.00 0.00 C ATOM 1574 C HIS A 104 0.240 17.755 14.153 1.00 0.00 C ATOM 1575 O HIS A 104 -0.537 18.676 14.287 1.00 0.00 O ATOM 1576 CB HIS A 104 1.054 15.398 14.372 1.00 0.00 C ATOM 1577 CG HIS A 104 2.143 15.864 15.306 1.00 0.00 C ATOM 1578 ND1 HIS A 104 2.085 17.082 15.968 1.00 0.00 N ATOM 1579 CD2 HIS A 104 3.325 15.282 15.696 1.00 0.00 C ATOM 1580 CE1 HIS A 104 3.201 17.191 16.713 1.00 0.00 C ATOM 1581 NE2 HIS A 104 3.989 16.121 16.584 1.00 0.00 N ATOM 0 H HIS A 104 -2.004 15.365 14.008 1.00 0.00 H new ATOM 0 HA HIS A 104 -0.543 16.293 15.513 1.00 0.00 H new ATOM 0 HB2 HIS A 104 0.770 14.374 14.613 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.420 15.394 13.345 1.00 0.00 H new ATOM 0 HD2 HIS A 104 3.684 14.319 15.363 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.431 18.041 17.339 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.886 15.955 17.040 1.00 0.00 H new ATOM 1589 N HIS A 105 1.456 17.933 13.722 1.00 0.00 N ATOM 1590 CA HIS A 105 1.963 19.288 13.368 1.00 0.00 C ATOM 1591 C HIS A 105 1.752 20.247 14.539 1.00 0.00 C ATOM 1592 O HIS A 105 2.656 20.524 15.299 1.00 0.00 O ATOM 1593 CB HIS A 105 1.214 19.811 12.144 1.00 0.00 C ATOM 1594 CG HIS A 105 1.827 21.111 11.706 1.00 0.00 C ATOM 1595 ND1 HIS A 105 1.414 22.331 12.216 1.00 0.00 N ATOM 1596 CD2 HIS A 105 2.825 21.396 10.809 1.00 0.00 C ATOM 1597 CE1 HIS A 105 2.153 23.287 11.625 1.00 0.00 C ATOM 1598 NE2 HIS A 105 3.030 22.771 10.758 1.00 0.00 N ATOM 0 H HIS A 105 2.134 17.181 13.597 1.00 0.00 H new ATOM 0 HA HIS A 105 3.028 19.222 13.145 1.00 0.00 H new ATOM 0 HB2 HIS A 105 1.262 19.082 11.335 1.00 0.00 H new ATOM 0 HB3 HIS A 105 0.160 19.954 12.382 1.00 0.00 H new ATOM 0 HD2 HIS A 105 3.369 20.664 10.230 1.00 0.00 H new ATOM 0 HE1 HIS A 105 2.050 24.343 11.826 1.00 0.00 H new ATOM 0 HE2 HIS A 105 3.704 23.276 10.183 1.00 0.00 H new ATOM 1606 N HIS A 106 0.560 20.752 14.674 1.00 0.00 N ATOM 1607 CA HIS A 106 0.242 21.701 15.776 1.00 0.00 C ATOM 1608 C HIS A 106 1.188 22.899 15.722 1.00 0.00 C ATOM 1609 O HIS A 106 2.244 22.906 16.321 1.00 0.00 O ATOM 1610 CB HIS A 106 0.350 20.994 17.127 1.00 0.00 C ATOM 1611 CG HIS A 106 -0.729 19.948 17.233 1.00 0.00 C ATOM 1612 ND1 HIS A 106 -2.077 20.276 17.278 1.00 0.00 N ATOM 1613 CD2 HIS A 106 -0.676 18.578 17.312 1.00 0.00 C ATOM 1614 CE1 HIS A 106 -2.771 19.128 17.381 1.00 0.00 C ATOM 1615 NE2 HIS A 106 -1.965 18.063 17.406 1.00 0.00 N ATOM 0 H HIS A 106 -0.223 20.543 14.055 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.781 22.058 15.654 1.00 0.00 H new ATOM 0 HB2 HIS A 106 1.332 20.531 17.230 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.252 21.717 17.937 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.229 17.989 17.303 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -3.848 19.074 17.437 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -2.236 17.082 17.478 1.00 0.00 H new ATOM 1623 N HIS A 107 0.791 23.913 15.002 1.00 0.00 N ATOM 1624 CA HIS A 107 1.614 25.151 14.870 1.00 0.00 C ATOM 1625 C HIS A 107 3.071 24.807 14.583 1.00 0.00 C ATOM 1626 O HIS A 107 3.434 23.663 14.404 1.00 0.00 O ATOM 1627 CB HIS A 107 1.535 25.973 16.159 1.00 0.00 C ATOM 1628 CG HIS A 107 0.108 26.384 16.413 1.00 0.00 C ATOM 1629 ND1 HIS A 107 -0.518 27.379 15.677 1.00 0.00 N ATOM 1630 CD2 HIS A 107 -0.820 25.953 17.326 1.00 0.00 C ATOM 1631 CE1 HIS A 107 -1.768 27.514 16.159 1.00 0.00 C ATOM 1632 NE2 HIS A 107 -2.004 26.668 17.166 1.00 0.00 N ATOM 0 H HIS A 107 -0.090 23.936 14.488 1.00 0.00 H new ATOM 0 HA HIS A 107 1.218 25.732 14.037 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.910 25.387 16.999 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.169 26.856 16.078 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -0.657 25.176 18.059 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -2.491 28.220 15.778 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -2.866 26.568 17.702 1.00 0.00 H new ATOM 1640 N HIS A 108 3.904 25.809 14.533 1.00 0.00 N ATOM 1641 CA HIS A 108 5.349 25.591 14.254 1.00 0.00 C ATOM 1642 C HIS A 108 6.151 26.799 14.750 1.00 0.00 C ATOM 1643 O HIS A 108 7.367 26.759 14.647 1.00 0.00 O ATOM 1644 CB HIS A 108 5.558 25.423 12.747 1.00 0.00 C ATOM 1645 CG HIS A 108 5.164 26.688 12.029 1.00 0.00 C ATOM 1646 ND1 HIS A 108 3.883 26.895 11.543 1.00 0.00 N ATOM 1647 CD2 HIS A 108 5.877 27.816 11.698 1.00 0.00 C ATOM 1648 CE1 HIS A 108 3.862 28.104 10.952 1.00 0.00 C ATOM 1649 NE2 HIS A 108 5.052 28.708 11.018 1.00 0.00 N ATOM 1650 OXT HIS A 108 5.538 27.742 15.222 1.00 0.00 O ATOM 0 H HIS A 108 3.640 26.784 14.676 1.00 0.00 H new ATOM 0 HA HIS A 108 5.688 24.692 14.770 1.00 0.00 H new ATOM 0 HB2 HIS A 108 6.602 25.187 12.540 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.964 24.586 12.380 1.00 0.00 H new ATOM 0 HD2 HIS A 108 6.918 27.984 11.930 1.00 0.00 H new ATOM 0 HE1 HIS A 108 2.990 28.534 10.482 1.00 0.00 H new ATOM 0 HE2 HIS A 108 5.302 29.626 10.649 1.00 0.00 H new TER 1658 HIS A 108