USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 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 22 LYS NZ :NH3+ -169:sc= 0.0431 (180deg=0) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.134 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 57:sc= 0.671 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0986 X(o=-0.099,f=-0.28) USER MOD Single : A 25 MET CE :methyl -120:sc= -0.211 (180deg=-0.61) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 55 GLN : amide:sc= 0.0693 X(o=0.069,f=-0.033) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.726 23.648 23.772 1.00 0.00 N ATOM 2 CA GLY A 1 -27.538 23.518 22.337 1.00 0.00 C ATOM 3 C GLY A 1 -27.004 22.130 21.977 1.00 0.00 C ATOM 4 O GLY A 1 -26.705 21.328 22.860 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.734 23.802 23.978 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.405 22.779 24.244 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.174 24.456 24.123 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.485 23.691 21.826 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.843 24.281 21.987 1.00 0.00 H new ATOM 8 N SER A 2 -26.901 21.889 20.678 1.00 0.00 N ATOM 9 CA SER A 2 -26.409 20.612 20.191 1.00 0.00 C ATOM 10 C SER A 2 -26.161 20.688 18.683 1.00 0.00 C ATOM 11 O SER A 2 -25.041 20.471 18.222 1.00 0.00 O ATOM 12 CB SER A 2 -27.391 19.484 20.511 1.00 0.00 C ATOM 13 OG SER A 2 -26.783 18.200 20.403 1.00 0.00 O ATOM 0 H SER A 2 -27.150 22.557 19.948 1.00 0.00 H new ATOM 0 HA SER A 2 -25.469 20.392 20.697 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.780 19.617 21.521 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.242 19.541 19.832 1.00 0.00 H new ATOM 0 HG SER A 2 -27.442 17.507 20.617 1.00 0.00 H new ATOM 19 N SER A 3 -27.225 20.997 17.955 1.00 0.00 N ATOM 20 CA SER A 3 -27.137 21.104 16.509 1.00 0.00 C ATOM 21 C SER A 3 -25.844 21.820 16.115 1.00 0.00 C ATOM 22 O SER A 3 -25.285 22.580 16.905 1.00 0.00 O ATOM 23 CB SER A 3 -28.348 21.843 15.937 1.00 0.00 C ATOM 24 OG SER A 3 -28.320 23.234 16.246 1.00 0.00 O ATOM 0 H SER A 3 -28.152 21.177 18.340 1.00 0.00 H new ATOM 0 HA SER A 3 -27.129 20.097 16.091 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.374 21.713 14.855 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.262 21.402 16.334 1.00 0.00 H new ATOM 0 HG SER A 3 -29.109 23.670 15.862 1.00 0.00 H new ATOM 30 N GLY A 4 -25.406 21.553 14.893 1.00 0.00 N ATOM 31 CA GLY A 4 -24.189 22.162 14.385 1.00 0.00 C ATOM 32 C GLY A 4 -23.469 21.223 13.415 1.00 0.00 C ATOM 33 O GLY A 4 -22.467 20.605 13.772 1.00 0.00 O ATOM 0 H GLY A 4 -25.872 20.923 14.240 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.430 23.097 13.880 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.528 22.409 15.216 1.00 0.00 H new ATOM 37 N SER A 5 -24.008 21.146 12.207 1.00 0.00 N ATOM 38 CA SER A 5 -23.429 20.293 11.183 1.00 0.00 C ATOM 39 C SER A 5 -24.236 20.410 9.887 1.00 0.00 C ATOM 40 O SER A 5 -25.408 20.040 9.846 1.00 0.00 O ATOM 41 CB SER A 5 -23.377 18.836 11.645 1.00 0.00 C ATOM 42 OG SER A 5 -22.074 18.461 12.082 1.00 0.00 O ATOM 0 H SER A 5 -24.839 21.660 11.915 1.00 0.00 H new ATOM 0 HA SER A 5 -22.407 20.625 10.999 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.089 18.688 12.457 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.686 18.185 10.827 1.00 0.00 H new ATOM 0 HG SER A 5 -21.782 19.066 12.796 1.00 0.00 H new ATOM 48 N SER A 6 -23.575 20.928 8.862 1.00 0.00 N ATOM 49 CA SER A 6 -24.216 21.098 7.569 1.00 0.00 C ATOM 50 C SER A 6 -23.210 21.649 6.555 1.00 0.00 C ATOM 51 O SER A 6 -22.577 22.675 6.798 1.00 0.00 O ATOM 52 CB SER A 6 -25.427 22.027 7.673 1.00 0.00 C ATOM 53 OG SER A 6 -25.855 22.492 6.395 1.00 0.00 O ATOM 0 H SER A 6 -22.603 21.235 8.901 1.00 0.00 H new ATOM 0 HA SER A 6 -24.568 20.123 7.230 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.247 21.500 8.160 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.177 22.880 8.304 1.00 0.00 H new ATOM 0 HG SER A 6 -26.631 23.081 6.504 1.00 0.00 H new ATOM 59 N GLY A 7 -23.095 20.942 5.441 1.00 0.00 N ATOM 60 CA GLY A 7 -22.177 21.347 4.390 1.00 0.00 C ATOM 61 C GLY A 7 -20.801 20.708 4.587 1.00 0.00 C ATOM 62 O GLY A 7 -20.281 20.675 5.701 1.00 0.00 O ATOM 0 H GLY A 7 -23.622 20.091 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.580 21.059 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.080 22.433 4.385 1.00 0.00 H new ATOM 66 N THR A 8 -20.250 20.215 3.487 1.00 0.00 N ATOM 67 CA THR A 8 -18.944 19.579 3.525 1.00 0.00 C ATOM 68 C THR A 8 -18.531 19.125 2.123 1.00 0.00 C ATOM 69 O THR A 8 -17.359 19.208 1.760 1.00 0.00 O ATOM 70 CB THR A 8 -19.004 18.436 4.541 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.983 17.539 4.115 1.00 0.00 O ATOM 72 CG2 THR A 8 -20.292 17.617 4.425 1.00 0.00 C ATOM 0 H THR A 8 -20.684 20.243 2.564 1.00 0.00 H new ATOM 0 HA THR A 8 -18.172 20.279 3.846 1.00 0.00 H new ATOM 0 HB THR A 8 -18.921 18.842 5.549 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.951 16.769 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 8 -20.284 16.819 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.152 18.265 4.597 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.359 17.183 3.427 1.00 0.00 H new ATOM 80 N SER A 9 -19.518 18.654 1.374 1.00 0.00 N ATOM 81 CA SER A 9 -19.272 18.186 0.021 1.00 0.00 C ATOM 82 C SER A 9 -20.597 17.848 -0.665 1.00 0.00 C ATOM 83 O SER A 9 -21.626 17.716 -0.004 1.00 0.00 O ATOM 84 CB SER A 9 -18.347 16.968 0.018 1.00 0.00 C ATOM 85 OG SER A 9 -19.040 15.770 0.360 1.00 0.00 O ATOM 0 H SER A 9 -20.489 18.587 1.679 1.00 0.00 H new ATOM 0 HA SER A 9 -18.777 18.985 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.897 16.857 -0.968 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.532 17.130 0.724 1.00 0.00 H new ATOM 0 HG SER A 9 -18.415 15.015 0.345 1.00 0.00 H new ATOM 91 N SER A 10 -20.529 17.718 -1.982 1.00 0.00 N ATOM 92 CA SER A 10 -21.710 17.397 -2.764 1.00 0.00 C ATOM 93 C SER A 10 -21.362 17.376 -4.254 1.00 0.00 C ATOM 94 O SER A 10 -21.061 18.415 -4.839 1.00 0.00 O ATOM 95 CB SER A 10 -22.836 18.398 -2.497 1.00 0.00 C ATOM 96 OG SER A 10 -23.896 18.275 -3.441 1.00 0.00 O ATOM 0 H SER A 10 -19.674 17.829 -2.527 1.00 0.00 H new ATOM 0 HA SER A 10 -22.059 16.409 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 10 -23.227 18.244 -1.491 1.00 0.00 H new ATOM 0 HB3 SER A 10 -22.436 19.411 -2.532 1.00 0.00 H new ATOM 0 HG SER A 10 -24.595 18.930 -3.235 1.00 0.00 H new ATOM 102 N ASN A 11 -21.413 16.181 -4.824 1.00 0.00 N ATOM 103 CA ASN A 11 -21.107 16.011 -6.234 1.00 0.00 C ATOM 104 C ASN A 11 -21.613 14.645 -6.701 1.00 0.00 C ATOM 105 O ASN A 11 -20.929 13.636 -6.535 1.00 0.00 O ATOM 106 CB ASN A 11 -19.598 16.066 -6.480 1.00 0.00 C ATOM 107 CG ASN A 11 -19.182 17.428 -7.039 1.00 0.00 C ATOM 108 OD1 ASN A 11 -19.783 17.961 -7.957 1.00 0.00 O ATOM 109 ND2 ASN A 11 -18.123 17.960 -6.435 1.00 0.00 N ATOM 0 H ASN A 11 -21.662 15.321 -4.335 1.00 0.00 H new ATOM 0 HA ASN A 11 -21.592 16.818 -6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -19.067 15.874 -5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.311 15.280 -7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.768 18.868 -6.735 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -17.666 17.460 -5.672 1.00 0.00 H new ATOM 116 N PRO A 12 -22.839 14.656 -7.289 1.00 0.00 N ATOM 117 CA PRO A 12 -23.445 13.430 -7.781 1.00 0.00 C ATOM 118 C PRO A 12 -22.785 12.977 -9.084 1.00 0.00 C ATOM 119 O PRO A 12 -22.445 11.805 -9.237 1.00 0.00 O ATOM 120 CB PRO A 12 -24.920 13.758 -7.944 1.00 0.00 C ATOM 121 CG PRO A 12 -25.007 15.275 -7.985 1.00 0.00 C ATOM 122 CD PRO A 12 -23.678 15.832 -7.502 1.00 0.00 C ATOM 0 HA PRO A 12 -23.311 12.591 -7.098 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -25.319 13.319 -8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -25.504 13.355 -7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -25.219 15.618 -8.998 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -25.821 15.628 -7.352 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -23.239 16.504 -8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -23.799 16.404 -6.582 1.00 0.00 H new ATOM 130 N VAL A 13 -22.623 13.929 -9.991 1.00 0.00 N ATOM 131 CA VAL A 13 -22.010 13.643 -11.277 1.00 0.00 C ATOM 132 C VAL A 13 -22.702 12.433 -11.908 1.00 0.00 C ATOM 133 O VAL A 13 -23.602 11.846 -11.310 1.00 0.00 O ATOM 134 CB VAL A 13 -20.502 13.448 -11.105 1.00 0.00 C ATOM 135 CG1 VAL A 13 -20.194 12.090 -10.470 1.00 0.00 C ATOM 136 CG2 VAL A 13 -19.774 13.606 -12.441 1.00 0.00 C ATOM 0 H VAL A 13 -22.906 14.900 -9.861 1.00 0.00 H new ATOM 0 HA VAL A 13 -22.140 14.484 -11.959 1.00 0.00 H new ATOM 0 HB VAL A 13 -20.138 14.223 -10.431 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -19.116 11.977 -10.359 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -20.668 12.031 -9.490 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -20.579 11.294 -11.108 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.704 13.463 -12.291 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -20.144 12.863 -13.147 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.954 14.605 -12.838 1.00 0.00 H new ATOM 146 N LEU A 14 -22.254 12.096 -13.109 1.00 0.00 N ATOM 147 CA LEU A 14 -22.819 10.966 -13.828 1.00 0.00 C ATOM 148 C LEU A 14 -21.685 10.120 -14.410 1.00 0.00 C ATOM 149 O LEU A 14 -20.593 10.065 -13.846 1.00 0.00 O ATOM 150 CB LEU A 14 -23.827 11.447 -14.874 1.00 0.00 C ATOM 151 CG LEU A 14 -25.156 10.691 -14.921 1.00 0.00 C ATOM 152 CD1 LEU A 14 -24.927 9.178 -14.927 1.00 0.00 C ATOM 153 CD2 LEU A 14 -26.076 11.127 -13.779 1.00 0.00 C ATOM 0 H LEU A 14 -21.507 12.585 -13.602 1.00 0.00 H new ATOM 0 HA LEU A 14 -23.381 10.324 -13.149 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -24.037 12.501 -14.690 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -23.360 11.382 -15.857 1.00 0.00 H new ATOM 0 HG LEU A 14 -25.659 10.944 -15.854 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -25.888 8.665 -14.961 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -24.338 8.903 -15.802 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -24.392 8.887 -14.023 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -27.014 10.574 -13.836 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -25.592 10.923 -12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -26.279 12.195 -13.862 1.00 0.00 H new ATOM 165 N GLU A 15 -21.983 9.480 -15.531 1.00 0.00 N ATOM 166 CA GLU A 15 -21.002 8.638 -16.195 1.00 0.00 C ATOM 167 C GLU A 15 -20.262 7.776 -15.171 1.00 0.00 C ATOM 168 O GLU A 15 -19.074 7.980 -14.926 1.00 0.00 O ATOM 169 CB GLU A 15 -20.022 9.480 -17.015 1.00 0.00 C ATOM 170 CG GLU A 15 -20.463 9.567 -18.477 1.00 0.00 C ATOM 171 CD GLU A 15 -19.577 8.696 -19.370 1.00 0.00 C ATOM 172 OE1 GLU A 15 -18.379 9.034 -19.483 1.00 0.00 O ATOM 173 OE2 GLU A 15 -20.118 7.711 -19.918 1.00 0.00 O ATOM 0 H GLU A 15 -22.889 9.527 -15.996 1.00 0.00 H new ATOM 0 HA GLU A 15 -21.527 7.977 -16.885 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.955 10.482 -16.591 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -19.025 9.043 -16.958 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -21.501 9.248 -18.567 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.418 10.603 -18.813 1.00 0.00 H new ATOM 180 N LEU A 16 -20.994 6.830 -14.601 1.00 0.00 N ATOM 181 CA LEU A 16 -20.421 5.936 -13.609 1.00 0.00 C ATOM 182 C LEU A 16 -20.613 4.488 -14.062 1.00 0.00 C ATOM 183 O LEU A 16 -20.471 4.180 -15.245 1.00 0.00 O ATOM 184 CB LEU A 16 -21.003 6.230 -12.224 1.00 0.00 C ATOM 185 CG LEU A 16 -21.200 7.707 -11.879 1.00 0.00 C ATOM 186 CD1 LEU A 16 -22.445 7.905 -11.011 1.00 0.00 C ATOM 187 CD2 LEU A 16 -19.946 8.289 -11.224 1.00 0.00 C ATOM 0 H LEU A 16 -21.979 6.663 -14.807 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.347 6.102 -13.521 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -21.966 5.727 -12.142 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -20.347 5.787 -11.475 1.00 0.00 H new ATOM 0 HG LEU A 16 -21.363 8.256 -12.806 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -22.563 8.964 -10.780 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -23.324 7.551 -11.550 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -22.336 7.341 -10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -20.113 9.340 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.727 7.742 -10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.103 8.200 -11.909 1.00 0.00 H new ATOM 199 N GLU A 17 -20.933 3.637 -13.099 1.00 0.00 N ATOM 200 CA GLU A 17 -21.146 2.228 -13.384 1.00 0.00 C ATOM 201 C GLU A 17 -20.090 1.721 -14.368 1.00 0.00 C ATOM 202 O GLU A 17 -20.360 1.589 -15.561 1.00 0.00 O ATOM 203 CB GLU A 17 -22.558 1.985 -13.922 1.00 0.00 C ATOM 204 CG GLU A 17 -23.608 2.229 -12.836 1.00 0.00 C ATOM 205 CD GLU A 17 -24.813 2.985 -13.398 1.00 0.00 C ATOM 206 OE1 GLU A 17 -24.613 4.149 -13.807 1.00 0.00 O ATOM 207 OE2 GLU A 17 -25.908 2.381 -13.406 1.00 0.00 O ATOM 0 H GLU A 17 -21.050 3.896 -12.119 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.046 1.669 -12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -22.746 2.644 -14.770 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -22.640 0.962 -14.289 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.934 1.276 -12.420 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.166 2.799 -12.019 1.00 0.00 H new ATOM 214 N LEU A 18 -18.910 1.449 -13.831 1.00 0.00 N ATOM 215 CA LEU A 18 -17.812 0.959 -14.646 1.00 0.00 C ATOM 216 C LEU A 18 -16.645 0.564 -13.739 1.00 0.00 C ATOM 217 O LEU A 18 -16.406 1.203 -12.715 1.00 0.00 O ATOM 218 CB LEU A 18 -17.438 1.987 -15.716 1.00 0.00 C ATOM 219 CG LEU A 18 -17.688 1.567 -17.166 1.00 0.00 C ATOM 220 CD1 LEU A 18 -17.603 2.769 -18.108 1.00 0.00 C ATOM 221 CD2 LEU A 18 -16.737 0.443 -17.584 1.00 0.00 C ATOM 0 H LEU A 18 -18.690 1.559 -12.841 1.00 0.00 H new ATOM 0 HA LEU A 18 -18.112 0.063 -15.189 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -17.996 2.903 -15.522 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.381 2.229 -15.606 1.00 0.00 H new ATOM 0 HG LEU A 18 -18.702 1.174 -17.237 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.785 2.442 -19.132 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.353 3.507 -17.824 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.611 3.215 -18.040 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.936 0.164 -18.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -15.706 0.786 -17.493 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.890 -0.422 -16.939 1.00 0.00 H new ATOM 233 N ALA A 19 -15.949 -0.487 -14.147 1.00 0.00 N ATOM 234 CA ALA A 19 -14.813 -0.975 -13.384 1.00 0.00 C ATOM 235 C ALA A 19 -13.873 -1.746 -14.312 1.00 0.00 C ATOM 236 O ALA A 19 -14.071 -1.765 -15.526 1.00 0.00 O ATOM 237 CB ALA A 19 -15.311 -1.830 -12.217 1.00 0.00 C ATOM 0 H ALA A 19 -16.150 -1.014 -14.997 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.249 -0.143 -12.962 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.459 -2.196 -11.645 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.950 -1.228 -11.571 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -15.880 -2.676 -12.603 1.00 0.00 H new ATOM 243 N GLU A 20 -12.870 -2.365 -13.706 1.00 0.00 N ATOM 244 CA GLU A 20 -11.900 -3.136 -14.464 1.00 0.00 C ATOM 245 C GLU A 20 -10.865 -2.207 -15.103 1.00 0.00 C ATOM 246 O GLU A 20 -10.667 -2.234 -16.316 1.00 0.00 O ATOM 247 CB GLU A 20 -12.590 -3.999 -15.522 1.00 0.00 C ATOM 248 CG GLU A 20 -11.879 -5.344 -15.684 1.00 0.00 C ATOM 249 CD GLU A 20 -12.443 -6.382 -14.712 1.00 0.00 C ATOM 250 OE1 GLU A 20 -12.256 -6.180 -13.493 1.00 0.00 O ATOM 251 OE2 GLU A 20 -13.050 -7.355 -15.211 1.00 0.00 O ATOM 0 H GLU A 20 -12.709 -2.348 -12.699 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.383 -3.806 -13.778 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.629 -4.165 -15.239 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.600 -3.472 -16.476 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.994 -5.699 -16.708 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.811 -5.218 -15.508 1.00 0.00 H new ATOM 258 N GLU A 21 -10.233 -1.407 -14.256 1.00 0.00 N ATOM 259 CA GLU A 21 -9.224 -0.472 -14.723 1.00 0.00 C ATOM 260 C GLU A 21 -7.824 -1.055 -14.520 1.00 0.00 C ATOM 261 O GLU A 21 -6.897 -0.338 -14.149 1.00 0.00 O ATOM 262 CB GLU A 21 -9.362 0.880 -14.019 1.00 0.00 C ATOM 263 CG GLU A 21 -9.199 0.729 -12.506 1.00 0.00 C ATOM 264 CD GLU A 21 -8.747 2.044 -11.869 1.00 0.00 C ATOM 265 OE1 GLU A 21 -7.524 2.301 -11.905 1.00 0.00 O ATOM 266 OE2 GLU A 21 -9.634 2.763 -11.361 1.00 0.00 O ATOM 0 H GLU A 21 -10.400 -1.387 -13.250 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.376 -0.307 -15.790 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.612 1.572 -14.402 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.337 1.312 -14.242 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.144 0.413 -12.065 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.470 -0.053 -12.291 1.00 0.00 H new ATOM 273 N LYS A 22 -7.716 -2.352 -14.771 1.00 0.00 N ATOM 274 CA LYS A 22 -6.445 -3.040 -14.621 1.00 0.00 C ATOM 275 C LYS A 22 -5.437 -2.465 -15.618 1.00 0.00 C ATOM 276 O LYS A 22 -5.805 -2.085 -16.728 1.00 0.00 O ATOM 277 CB LYS A 22 -6.637 -4.553 -14.744 1.00 0.00 C ATOM 278 CG LYS A 22 -6.183 -5.269 -13.471 1.00 0.00 C ATOM 279 CD LYS A 22 -6.202 -6.787 -13.659 1.00 0.00 C ATOM 280 CE LYS A 22 -5.021 -7.443 -12.941 1.00 0.00 C ATOM 281 NZ LYS A 22 -4.882 -8.857 -13.357 1.00 0.00 N ATOM 0 H LYS A 22 -8.488 -2.944 -15.077 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.037 -2.873 -13.624 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.687 -4.775 -14.936 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.071 -4.927 -15.597 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.177 -4.944 -13.206 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.835 -4.993 -12.642 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.137 -7.193 -13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.164 -7.026 -14.722 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.103 -6.900 -13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.167 -7.388 -11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.204 -9.338 -12.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.806 -9.330 -13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.538 -8.898 -14.338 1.00 0.00 H new ATOM 295 N LEU A 23 -4.186 -2.417 -15.184 1.00 0.00 N ATOM 296 CA LEU A 23 -3.122 -1.895 -16.025 1.00 0.00 C ATOM 297 C LEU A 23 -1.896 -2.803 -15.912 1.00 0.00 C ATOM 298 O LEU A 23 -1.716 -3.486 -14.905 1.00 0.00 O ATOM 299 CB LEU A 23 -2.838 -0.431 -15.681 1.00 0.00 C ATOM 300 CG LEU A 23 -3.857 0.588 -16.193 1.00 0.00 C ATOM 301 CD1 LEU A 23 -4.569 1.283 -15.030 1.00 0.00 C ATOM 302 CD2 LEU A 23 -3.201 1.591 -17.144 1.00 0.00 C ATOM 0 H LEU A 23 -3.885 -2.731 -14.261 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.426 -1.900 -17.072 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.775 -0.339 -14.597 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.859 -0.168 -16.081 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.617 0.053 -16.763 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.288 2.003 -15.421 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.091 0.540 -14.427 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.836 1.802 -14.413 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.948 2.304 -17.493 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.408 2.124 -16.620 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.779 1.061 -17.998 1.00 0.00 H new ATOM 314 N PRO A 24 -1.063 -2.780 -16.987 1.00 0.00 N ATOM 315 CA PRO A 24 0.141 -3.592 -17.017 1.00 0.00 C ATOM 316 C PRO A 24 1.228 -2.997 -16.119 1.00 0.00 C ATOM 317 O PRO A 24 2.164 -2.365 -16.607 1.00 0.00 O ATOM 318 CB PRO A 24 0.544 -3.644 -18.482 1.00 0.00 C ATOM 319 CG PRO A 24 -0.175 -2.485 -19.153 1.00 0.00 C ATOM 320 CD PRO A 24 -1.245 -1.983 -18.196 1.00 0.00 C ATOM 0 HA PRO A 24 -0.020 -4.596 -16.625 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.624 -3.551 -18.594 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.258 -4.595 -18.932 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.528 -1.687 -19.392 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.624 -2.807 -20.093 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.125 -0.919 -17.991 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.243 -2.117 -18.612 1.00 0.00 H new ATOM 328 N MET A 25 1.067 -3.220 -14.823 1.00 0.00 N ATOM 329 CA MET A 25 2.022 -2.713 -13.853 1.00 0.00 C ATOM 330 C MET A 25 2.526 -1.325 -14.252 1.00 0.00 C ATOM 331 O MET A 25 3.560 -1.200 -14.905 1.00 0.00 O ATOM 332 CB MET A 25 3.207 -3.676 -13.751 1.00 0.00 C ATOM 333 CG MET A 25 3.397 -4.162 -12.313 1.00 0.00 C ATOM 334 SD MET A 25 4.197 -5.758 -12.308 1.00 0.00 S ATOM 335 CE MET A 25 4.890 -5.752 -10.664 1.00 0.00 C ATOM 0 H MET A 25 0.290 -3.745 -14.422 1.00 0.00 H new ATOM 0 HA MET A 25 1.522 -2.634 -12.888 1.00 0.00 H new ATOM 0 HB2 MET A 25 3.044 -4.530 -14.409 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.115 -3.179 -14.093 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.997 -3.444 -11.754 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.431 -4.229 -11.812 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.974 -5.845 -10.726 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.634 -4.818 -10.165 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.486 -6.590 -10.096 1.00 0.00 H new ATOM 345 N THR A 26 1.770 -0.316 -13.843 1.00 0.00 N ATOM 346 CA THR A 26 2.127 1.058 -14.150 1.00 0.00 C ATOM 347 C THR A 26 3.343 1.490 -13.329 1.00 0.00 C ATOM 348 O THR A 26 4.228 2.176 -13.837 1.00 0.00 O ATOM 349 CB THR A 26 0.893 1.931 -13.912 1.00 0.00 C ATOM 350 OG1 THR A 26 0.569 1.710 -12.542 1.00 0.00 O ATOM 351 CG2 THR A 26 -0.336 1.427 -14.672 1.00 0.00 C ATOM 0 H THR A 26 0.912 -0.423 -13.302 1.00 0.00 H new ATOM 0 HA THR A 26 2.424 1.165 -15.193 1.00 0.00 H new ATOM 0 HB THR A 26 1.111 2.956 -14.212 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.220 2.240 -12.303 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.183 2.082 -14.468 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.127 1.426 -15.742 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.574 0.414 -14.348 1.00 0.00 H new ATOM 359 N LEU A 27 3.348 1.070 -12.072 1.00 0.00 N ATOM 360 CA LEU A 27 4.442 1.404 -11.176 1.00 0.00 C ATOM 361 C LEU A 27 5.300 0.160 -10.938 1.00 0.00 C ATOM 362 O LEU A 27 4.776 -0.910 -10.632 1.00 0.00 O ATOM 363 CB LEU A 27 3.906 2.036 -9.889 1.00 0.00 C ATOM 364 CG LEU A 27 2.704 2.969 -10.050 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.042 3.248 -8.700 1.00 0.00 C ATOM 366 CD2 LEU A 27 3.104 4.258 -10.770 1.00 0.00 C ATOM 0 H LEU A 27 2.612 0.502 -11.653 1.00 0.00 H new ATOM 0 HA LEU A 27 5.089 2.156 -11.629 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.630 1.236 -9.202 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.715 2.595 -9.418 1.00 0.00 H new ATOM 0 HG LEU A 27 1.964 2.468 -10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.191 3.914 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.700 2.310 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.763 3.719 -8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.232 4.904 -10.872 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.872 4.774 -10.193 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.494 4.016 -11.759 1.00 0.00 H new ATOM 378 N SER A 28 6.603 0.341 -11.089 1.00 0.00 N ATOM 379 CA SER A 28 7.539 -0.753 -10.895 1.00 0.00 C ATOM 380 C SER A 28 7.864 -0.907 -9.408 1.00 0.00 C ATOM 381 O SER A 28 7.541 -0.033 -8.605 1.00 0.00 O ATOM 382 CB SER A 28 8.822 -0.530 -11.699 1.00 0.00 C ATOM 383 OG SER A 28 8.612 -0.699 -13.098 1.00 0.00 O ATOM 0 H SER A 28 7.033 1.230 -11.344 1.00 0.00 H new ATOM 0 HA SER A 28 7.072 -1.670 -11.255 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.199 0.475 -11.508 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.588 -1.228 -11.361 1.00 0.00 H new ATOM 0 HG SER A 28 9.454 -0.547 -13.576 1.00 0.00 H new ATOM 389 N ARG A 29 8.499 -2.024 -9.086 1.00 0.00 N ATOM 390 CA ARG A 29 8.871 -2.303 -7.709 1.00 0.00 C ATOM 391 C ARG A 29 9.295 -1.014 -7.003 1.00 0.00 C ATOM 392 O ARG A 29 8.658 -0.592 -6.039 1.00 0.00 O ATOM 393 CB ARG A 29 10.017 -3.314 -7.643 1.00 0.00 C ATOM 394 CG ARG A 29 10.849 -3.285 -8.927 1.00 0.00 C ATOM 395 CD ARG A 29 12.330 -3.526 -8.626 1.00 0.00 C ATOM 396 NE ARG A 29 12.805 -4.725 -9.353 1.00 0.00 N ATOM 397 CZ ARG A 29 14.054 -5.205 -9.274 1.00 0.00 C ATOM 398 NH1 ARG A 29 14.960 -4.592 -8.501 1.00 0.00 N ATOM 399 NH2 ARG A 29 14.396 -6.298 -9.969 1.00 0.00 N ATOM 0 H ARG A 29 8.765 -2.747 -9.755 1.00 0.00 H new ATOM 0 HA ARG A 29 8.000 -2.726 -7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.654 -3.091 -6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.615 -4.315 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.486 -4.046 -9.617 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.727 -2.322 -9.422 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.916 -2.656 -8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.475 -3.659 -7.554 1.00 0.00 H new ATOM 0 HE ARG A 29 12.141 -5.216 -9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.700 -3.760 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.910 -4.958 -8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.706 -6.764 -10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.346 -6.664 -9.909 1.00 0.00 H new ATOM 413 N GLN A 30 10.369 -0.425 -7.509 1.00 0.00 N ATOM 414 CA GLN A 30 10.886 0.807 -6.938 1.00 0.00 C ATOM 415 C GLN A 30 9.786 1.869 -6.883 1.00 0.00 C ATOM 416 O GLN A 30 9.606 2.529 -5.861 1.00 0.00 O ATOM 417 CB GLN A 30 12.096 1.311 -7.727 1.00 0.00 C ATOM 418 CG GLN A 30 13.314 1.477 -6.816 1.00 0.00 C ATOM 419 CD GLN A 30 14.451 2.195 -7.546 1.00 0.00 C ATOM 420 OE1 GLN A 30 14.987 1.719 -8.533 1.00 0.00 O ATOM 421 NE2 GLN A 30 14.788 3.363 -7.007 1.00 0.00 N ATOM 0 H GLN A 30 10.895 -0.778 -8.308 1.00 0.00 H new ATOM 0 HA GLN A 30 11.217 0.602 -5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.330 0.610 -8.528 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.856 2.265 -8.197 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.033 2.042 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.655 0.499 -6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.298 3.703 -6.180 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.537 3.919 -7.421 1.00 0.00 H new ATOM 430 N GLU A 31 9.079 2.000 -7.996 1.00 0.00 N ATOM 431 CA GLU A 31 8.001 2.971 -8.087 1.00 0.00 C ATOM 432 C GLU A 31 6.961 2.714 -6.995 1.00 0.00 C ATOM 433 O GLU A 31 6.236 3.624 -6.596 1.00 0.00 O ATOM 434 CB GLU A 31 7.357 2.946 -9.475 1.00 0.00 C ATOM 435 CG GLU A 31 6.576 4.235 -9.739 1.00 0.00 C ATOM 436 CD GLU A 31 7.521 5.430 -9.881 1.00 0.00 C ATOM 437 OE1 GLU A 31 8.642 5.210 -10.388 1.00 0.00 O ATOM 438 OE2 GLU A 31 7.101 6.536 -9.478 1.00 0.00 O ATOM 0 H GLU A 31 9.231 1.451 -8.842 1.00 0.00 H new ATOM 0 HA GLU A 31 8.420 3.966 -7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.128 2.821 -10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.689 2.089 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.983 4.126 -10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.877 4.415 -8.922 1.00 0.00 H new ATOM 445 N VAL A 32 6.921 1.469 -6.542 1.00 0.00 N ATOM 446 CA VAL A 32 5.981 1.081 -5.504 1.00 0.00 C ATOM 447 C VAL A 32 6.667 1.177 -4.140 1.00 0.00 C ATOM 448 O VAL A 32 6.025 1.492 -3.139 1.00 0.00 O ATOM 449 CB VAL A 32 5.426 -0.314 -5.797 1.00 0.00 C ATOM 450 CG1 VAL A 32 4.884 -0.967 -4.523 1.00 0.00 C ATOM 451 CG2 VAL A 32 4.351 -0.259 -6.884 1.00 0.00 C ATOM 0 H VAL A 32 7.524 0.717 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 32 5.128 1.759 -5.487 1.00 0.00 H new ATOM 0 HB VAL A 32 6.246 -0.930 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.495 -1.958 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.686 -1.057 -3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.084 -0.352 -4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.973 -1.264 -7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.532 0.380 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.781 0.146 -7.800 1.00 0.00 H new ATOM 461 N ILE A 33 7.963 0.899 -4.143 1.00 0.00 N ATOM 462 CA ILE A 33 8.742 0.950 -2.918 1.00 0.00 C ATOM 463 C ILE A 33 8.861 2.403 -2.455 1.00 0.00 C ATOM 464 O ILE A 33 8.820 2.682 -1.258 1.00 0.00 O ATOM 465 CB ILE A 33 10.091 0.254 -3.112 1.00 0.00 C ATOM 466 CG1 ILE A 33 9.913 -1.260 -3.241 1.00 0.00 C ATOM 467 CG2 ILE A 33 11.065 0.623 -1.991 1.00 0.00 C ATOM 468 CD1 ILE A 33 11.036 -1.875 -4.080 1.00 0.00 C ATOM 0 H ILE A 33 8.493 0.638 -4.975 1.00 0.00 H new ATOM 0 HA ILE A 33 8.238 0.402 -2.122 1.00 0.00 H new ATOM 0 HB ILE A 33 10.527 0.608 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.904 -1.714 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.949 -1.479 -3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.016 0.115 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.225 1.701 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.649 0.316 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.885 -2.952 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.027 -1.436 -5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.996 -1.676 -3.605 1.00 0.00 H new ATOM 480 N ARG A 34 9.007 3.291 -3.428 1.00 0.00 N ATOM 481 CA ARG A 34 9.132 4.709 -3.135 1.00 0.00 C ATOM 482 C ARG A 34 7.955 5.180 -2.279 1.00 0.00 C ATOM 483 O ARG A 34 8.106 5.404 -1.079 1.00 0.00 O ATOM 484 CB ARG A 34 9.181 5.535 -4.422 1.00 0.00 C ATOM 485 CG ARG A 34 10.626 5.834 -4.827 1.00 0.00 C ATOM 486 CD ARG A 34 10.881 7.342 -4.876 1.00 0.00 C ATOM 487 NE ARG A 34 11.677 7.759 -3.701 1.00 0.00 N ATOM 488 CZ ARG A 34 12.331 8.925 -3.612 1.00 0.00 C ATOM 489 NH1 ARG A 34 12.288 9.797 -4.629 1.00 0.00 N ATOM 490 NH2 ARG A 34 13.029 9.220 -2.507 1.00 0.00 N ATOM 0 H ARG A 34 9.042 3.056 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 34 10.064 4.854 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.679 4.995 -5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.639 6.470 -4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.310 5.369 -4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.832 5.395 -5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.409 7.600 -5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.933 7.879 -4.892 1.00 0.00 H new ATOM 0 HE ARG A 34 11.731 7.119 -2.909 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.757 9.573 -5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.786 10.685 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.063 8.557 -1.733 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.527 10.108 -2.440 1.00 0.00 H new ATOM 504 N ARG A 35 6.809 5.316 -2.929 1.00 0.00 N ATOM 505 CA ARG A 35 5.606 5.757 -2.243 1.00 0.00 C ATOM 506 C ARG A 35 5.479 5.052 -0.891 1.00 0.00 C ATOM 507 O ARG A 35 5.522 5.698 0.156 1.00 0.00 O ATOM 508 CB ARG A 35 4.358 5.469 -3.079 1.00 0.00 C ATOM 509 CG ARG A 35 4.253 6.437 -4.259 1.00 0.00 C ATOM 510 CD ARG A 35 3.968 5.686 -5.561 1.00 0.00 C ATOM 511 NE ARG A 35 3.441 6.621 -6.580 1.00 0.00 N ATOM 512 CZ ARG A 35 4.202 7.457 -7.299 1.00 0.00 C ATOM 513 NH1 ARG A 35 5.529 7.479 -7.116 1.00 0.00 N ATOM 514 NH2 ARG A 35 3.637 8.270 -8.202 1.00 0.00 N ATOM 0 H ARG A 35 6.688 5.128 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 35 5.686 6.833 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.391 4.444 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.469 5.555 -2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.459 7.160 -4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.181 7.000 -4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.881 5.214 -5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.247 4.888 -5.380 1.00 0.00 H new ATOM 0 HE ARG A 35 2.435 6.629 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.959 6.859 -6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.109 8.115 -7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.627 8.253 -8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.217 8.906 -8.749 1.00 0.00 H new ATOM 528 N LEU A 36 5.325 3.738 -0.956 1.00 0.00 N ATOM 529 CA LEU A 36 5.191 2.939 0.250 1.00 0.00 C ATOM 530 C LEU A 36 6.149 3.471 1.318 1.00 0.00 C ATOM 531 O LEU A 36 5.714 3.994 2.343 1.00 0.00 O ATOM 532 CB LEU A 36 5.386 1.455 -0.066 1.00 0.00 C ATOM 533 CG LEU A 36 4.251 0.779 -0.837 1.00 0.00 C ATOM 534 CD1 LEU A 36 4.453 -0.736 -0.894 1.00 0.00 C ATOM 535 CD2 LEU A 36 2.889 1.153 -0.248 1.00 0.00 C ATOM 0 H LEU A 36 5.290 3.206 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 36 4.182 3.025 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.306 1.344 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.530 0.920 0.873 1.00 0.00 H new ATOM 0 HG LEU A 36 4.270 1.146 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.632 -1.192 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.396 -0.959 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.475 -1.138 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.100 0.659 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.843 0.834 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.753 2.233 -0.302 1.00 0.00 H new ATOM 547 N ARG A 37 7.436 3.320 1.041 1.00 0.00 N ATOM 548 CA ARG A 37 8.459 3.778 1.965 1.00 0.00 C ATOM 549 C ARG A 37 8.145 5.197 2.444 1.00 0.00 C ATOM 550 O ARG A 37 8.124 5.461 3.645 1.00 0.00 O ATOM 551 CB ARG A 37 9.841 3.764 1.309 1.00 0.00 C ATOM 552 CG ARG A 37 10.517 2.403 1.485 1.00 0.00 C ATOM 553 CD ARG A 37 12.041 2.544 1.489 1.00 0.00 C ATOM 554 NE ARG A 37 12.669 1.247 1.827 1.00 0.00 N ATOM 555 CZ ARG A 37 12.713 0.733 3.063 1.00 0.00 C ATOM 556 NH1 ARG A 37 12.167 1.403 4.087 1.00 0.00 N ATOM 557 NH2 ARG A 37 13.303 -0.451 3.276 1.00 0.00 N ATOM 0 H ARG A 37 7.793 2.887 0.190 1.00 0.00 H new ATOM 0 HA ARG A 37 8.466 3.096 2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.746 3.992 0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.464 4.543 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.188 1.948 2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.212 1.735 0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.386 2.880 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.342 3.302 2.212 1.00 0.00 H new ATOM 0 HE ARG A 37 13.095 0.711 1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.718 2.304 3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.200 1.012 5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.719 -0.961 2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.336 -0.842 4.217 1.00 0.00 H new ATOM 571 N GLU A 38 7.908 6.074 1.479 1.00 0.00 N ATOM 572 CA GLU A 38 7.596 7.459 1.787 1.00 0.00 C ATOM 573 C GLU A 38 6.318 7.542 2.624 1.00 0.00 C ATOM 574 O GLU A 38 6.087 8.533 3.315 1.00 0.00 O ATOM 575 CB GLU A 38 7.469 8.290 0.508 1.00 0.00 C ATOM 576 CG GLU A 38 8.828 8.845 0.078 1.00 0.00 C ATOM 577 CD GLU A 38 9.016 10.280 0.574 1.00 0.00 C ATOM 578 OE1 GLU A 38 8.478 11.188 -0.097 1.00 0.00 O ATOM 579 OE2 GLU A 38 9.693 10.438 1.613 1.00 0.00 O ATOM 0 H GLU A 38 7.926 5.852 0.484 1.00 0.00 H new ATOM 0 HA GLU A 38 8.417 7.875 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.054 7.674 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.772 9.112 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.624 8.213 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.908 8.819 -1.009 1.00 0.00 H new ATOM 586 N ARG A 39 5.520 6.488 2.533 1.00 0.00 N ATOM 587 CA ARG A 39 4.271 6.429 3.273 1.00 0.00 C ATOM 588 C ARG A 39 4.493 5.774 4.637 1.00 0.00 C ATOM 589 O ARG A 39 3.701 5.966 5.559 1.00 0.00 O ATOM 590 CB ARG A 39 3.211 5.640 2.502 1.00 0.00 C ATOM 591 CG ARG A 39 2.950 6.267 1.131 1.00 0.00 C ATOM 592 CD ARG A 39 1.551 6.884 1.068 1.00 0.00 C ATOM 593 NE ARG A 39 1.640 8.294 0.627 1.00 0.00 N ATOM 594 CZ ARG A 39 1.878 9.325 1.451 1.00 0.00 C ATOM 595 NH1 ARG A 39 2.051 9.109 2.762 1.00 0.00 N ATOM 596 NH2 ARG A 39 1.942 10.571 0.963 1.00 0.00 N ATOM 0 H ARG A 39 5.714 5.668 1.958 1.00 0.00 H new ATOM 0 HA ARG A 39 3.918 7.451 3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.540 4.608 2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.284 5.612 3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.699 7.033 0.929 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.052 5.509 0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.925 6.317 0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.076 6.830 2.048 1.00 0.00 H new ATOM 0 HE ARG A 39 1.512 8.494 -0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.002 8.160 3.133 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.232 9.893 3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.810 10.735 -0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.123 11.355 1.589 1.00 0.00 H new ATOM 610 N GLY A 40 5.574 5.013 4.724 1.00 0.00 N ATOM 611 CA GLY A 40 5.911 4.328 5.960 1.00 0.00 C ATOM 612 C GLY A 40 5.374 2.895 5.957 1.00 0.00 C ATOM 613 O GLY A 40 5.264 2.267 7.009 1.00 0.00 O ATOM 0 H GLY A 40 6.228 4.856 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.993 4.314 6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.496 4.874 6.807 1.00 0.00 H new ATOM 617 N GLU A 41 5.053 2.420 4.762 1.00 0.00 N ATOM 618 CA GLU A 41 4.530 1.073 4.608 1.00 0.00 C ATOM 619 C GLU A 41 5.669 0.090 4.331 1.00 0.00 C ATOM 620 O GLU A 41 6.737 0.487 3.868 1.00 0.00 O ATOM 621 CB GLU A 41 3.476 1.018 3.500 1.00 0.00 C ATOM 622 CG GLU A 41 2.548 2.233 3.565 1.00 0.00 C ATOM 623 CD GLU A 41 1.567 2.112 4.732 1.00 0.00 C ATOM 624 OE1 GLU A 41 1.167 0.964 5.021 1.00 0.00 O ATOM 625 OE2 GLU A 41 1.238 3.171 5.309 1.00 0.00 O ATOM 0 H GLU A 41 5.145 2.944 3.892 1.00 0.00 H new ATOM 0 HA GLU A 41 4.045 0.783 5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.967 0.983 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.891 0.103 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.140 3.142 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.996 2.324 2.629 1.00 0.00 H new ATOM 632 N PRO A 42 5.395 -1.207 4.635 1.00 0.00 N ATOM 633 CA PRO A 42 6.385 -2.250 4.424 1.00 0.00 C ATOM 634 C PRO A 42 6.515 -2.589 2.937 1.00 0.00 C ATOM 635 O PRO A 42 5.557 -3.043 2.314 1.00 0.00 O ATOM 636 CB PRO A 42 5.904 -3.424 5.261 1.00 0.00 C ATOM 637 CG PRO A 42 4.432 -3.163 5.538 1.00 0.00 C ATOM 638 CD PRO A 42 4.141 -1.713 5.185 1.00 0.00 C ATOM 0 HA PRO A 42 7.387 -1.947 4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.040 -4.365 4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.469 -3.499 6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.808 -3.833 4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.201 -3.355 6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.331 -1.637 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.836 -1.145 6.064 1.00 0.00 H new ATOM 646 N ILE A 43 7.709 -2.355 2.412 1.00 0.00 N ATOM 647 CA ILE A 43 7.977 -2.630 1.011 1.00 0.00 C ATOM 648 C ILE A 43 7.614 -4.084 0.703 1.00 0.00 C ATOM 649 O ILE A 43 7.087 -4.383 -0.368 1.00 0.00 O ATOM 650 CB ILE A 43 9.422 -2.269 0.661 1.00 0.00 C ATOM 651 CG1 ILE A 43 10.407 -3.198 1.374 1.00 0.00 C ATOM 652 CG2 ILE A 43 9.706 -0.796 0.958 1.00 0.00 C ATOM 653 CD1 ILE A 43 11.824 -3.020 0.825 1.00 0.00 C ATOM 0 H ILE A 43 8.501 -1.978 2.932 1.00 0.00 H new ATOM 0 HA ILE A 43 7.353 -2.003 0.373 1.00 0.00 H new ATOM 0 HB ILE A 43 9.561 -2.414 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.399 -2.990 2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.092 -4.234 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.740 -0.566 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.037 -0.170 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.544 -0.601 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.504 -3.692 1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.833 -3.252 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.145 -1.989 0.975 1.00 0.00 H new ATOM 665 N ARG A 44 7.910 -4.950 1.660 1.00 0.00 N ATOM 666 CA ARG A 44 7.622 -6.366 1.504 1.00 0.00 C ATOM 667 C ARG A 44 7.068 -6.942 2.809 1.00 0.00 C ATOM 668 O ARG A 44 7.788 -7.047 3.801 1.00 0.00 O ATOM 669 CB ARG A 44 8.878 -7.143 1.105 1.00 0.00 C ATOM 670 CG ARG A 44 8.535 -8.589 0.739 1.00 0.00 C ATOM 671 CD ARG A 44 7.809 -8.656 -0.606 1.00 0.00 C ATOM 672 NE ARG A 44 8.360 -9.759 -1.424 1.00 0.00 N ATOM 673 CZ ARG A 44 8.252 -9.832 -2.758 1.00 0.00 C ATOM 674 NH1 ARG A 44 7.613 -8.866 -3.432 1.00 0.00 N ATOM 675 NH2 ARG A 44 8.783 -10.871 -3.418 1.00 0.00 N ATOM 0 H ARG A 44 8.347 -4.699 2.547 1.00 0.00 H new ATOM 0 HA ARG A 44 6.879 -6.468 0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.359 -6.654 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.593 -7.132 1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.448 -9.183 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.909 -9.026 1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.742 -8.809 -0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.919 -7.710 -1.135 1.00 0.00 H new ATOM 0 HE ARG A 44 8.853 -10.511 -0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.209 -8.075 -2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.531 -8.921 -4.447 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.269 -11.606 -2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.701 -10.926 -4.433 1.00 0.00 H new ATOM 689 N LEU A 45 5.792 -7.298 2.767 1.00 0.00 N ATOM 690 CA LEU A 45 5.133 -7.861 3.933 1.00 0.00 C ATOM 691 C LEU A 45 5.675 -9.268 4.191 1.00 0.00 C ATOM 692 O LEU A 45 6.644 -9.689 3.561 1.00 0.00 O ATOM 693 CB LEU A 45 3.613 -7.808 3.767 1.00 0.00 C ATOM 694 CG LEU A 45 2.926 -6.539 4.278 1.00 0.00 C ATOM 695 CD1 LEU A 45 1.698 -6.202 3.432 1.00 0.00 C ATOM 696 CD2 LEU A 45 2.583 -6.663 5.764 1.00 0.00 C ATOM 0 H LEU A 45 5.197 -7.207 1.943 1.00 0.00 H new ATOM 0 HA LEU A 45 5.355 -7.267 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.379 -7.923 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.181 -8.665 4.284 1.00 0.00 H new ATOM 0 HG LEU A 45 3.624 -5.708 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.229 -5.296 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.002 -6.042 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.987 -7.027 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.096 -5.749 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.911 -7.508 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.497 -6.820 6.336 1.00 0.00 H new ATOM 708 N PHE A 46 5.025 -9.957 5.118 1.00 0.00 N ATOM 709 CA PHE A 46 5.430 -11.308 5.466 1.00 0.00 C ATOM 710 C PHE A 46 4.826 -12.328 4.499 1.00 0.00 C ATOM 711 O PHE A 46 3.911 -13.067 4.861 1.00 0.00 O ATOM 712 CB PHE A 46 4.901 -11.584 6.875 1.00 0.00 C ATOM 713 CG PHE A 46 5.341 -12.931 7.453 1.00 0.00 C ATOM 714 CD1 PHE A 46 6.644 -13.134 7.787 1.00 0.00 C ATOM 715 CD2 PHE A 46 4.430 -13.924 7.633 1.00 0.00 C ATOM 716 CE1 PHE A 46 7.053 -14.384 8.323 1.00 0.00 C ATOM 717 CE2 PHE A 46 4.839 -15.174 8.169 1.00 0.00 C ATOM 718 CZ PHE A 46 6.142 -15.377 8.503 1.00 0.00 C ATOM 0 H PHE A 46 4.221 -9.605 5.638 1.00 0.00 H new ATOM 0 HA PHE A 46 6.515 -11.396 5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.236 -10.788 7.540 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.812 -11.547 6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.367 -12.345 7.645 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.395 -13.762 7.368 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.088 -14.546 8.588 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.116 -15.963 8.311 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.453 -16.327 8.911 1.00 0.00 H new ATOM 728 N GLY A 47 5.362 -12.336 3.287 1.00 0.00 N ATOM 729 CA GLY A 47 4.887 -13.254 2.265 1.00 0.00 C ATOM 730 C GLY A 47 4.128 -12.506 1.167 1.00 0.00 C ATOM 731 O GLY A 47 3.011 -12.880 0.815 1.00 0.00 O ATOM 0 H GLY A 47 6.120 -11.722 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.732 -13.788 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.236 -14.002 2.717 1.00 0.00 H new ATOM 735 N GLU A 48 4.766 -11.463 0.656 1.00 0.00 N ATOM 736 CA GLU A 48 4.165 -10.659 -0.394 1.00 0.00 C ATOM 737 C GLU A 48 4.991 -10.762 -1.679 1.00 0.00 C ATOM 738 O GLU A 48 6.126 -11.234 -1.655 1.00 0.00 O ATOM 739 CB GLU A 48 4.017 -9.202 0.047 1.00 0.00 C ATOM 740 CG GLU A 48 2.565 -8.884 0.411 1.00 0.00 C ATOM 741 CD GLU A 48 2.355 -7.376 0.563 1.00 0.00 C ATOM 742 OE1 GLU A 48 3.358 -6.691 0.859 1.00 0.00 O ATOM 743 OE2 GLU A 48 1.197 -6.943 0.380 1.00 0.00 O ATOM 0 H GLU A 48 5.693 -11.156 0.950 1.00 0.00 H new ATOM 0 HA GLU A 48 3.166 -11.046 -0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.661 -9.011 0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.348 -8.541 -0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.900 -9.271 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.301 -9.387 1.341 1.00 0.00 H new ATOM 750 N THR A 49 4.388 -10.312 -2.769 1.00 0.00 N ATOM 751 CA THR A 49 5.053 -10.347 -4.061 1.00 0.00 C ATOM 752 C THR A 49 4.963 -8.981 -4.744 1.00 0.00 C ATOM 753 O THR A 49 4.156 -8.139 -4.353 1.00 0.00 O ATOM 754 CB THR A 49 4.432 -11.479 -4.882 1.00 0.00 C ATOM 755 OG1 THR A 49 5.249 -11.552 -6.046 1.00 0.00 O ATOM 756 CG2 THR A 49 3.046 -11.118 -5.421 1.00 0.00 C ATOM 0 H THR A 49 3.446 -9.921 -2.785 1.00 0.00 H new ATOM 0 HA THR A 49 6.118 -10.552 -3.952 1.00 0.00 H new ATOM 0 HB THR A 49 4.360 -12.376 -4.267 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.918 -12.263 -6.634 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.650 -11.955 -5.996 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.377 -10.901 -4.588 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.123 -10.240 -6.063 1.00 0.00 H new ATOM 764 N ASP A 50 5.804 -8.803 -5.753 1.00 0.00 N ATOM 765 CA ASP A 50 5.830 -7.554 -6.494 1.00 0.00 C ATOM 766 C ASP A 50 4.397 -7.067 -6.715 1.00 0.00 C ATOM 767 O ASP A 50 4.095 -5.895 -6.496 1.00 0.00 O ATOM 768 CB ASP A 50 6.483 -7.741 -7.865 1.00 0.00 C ATOM 769 CG ASP A 50 6.261 -9.112 -8.506 1.00 0.00 C ATOM 770 OD1 ASP A 50 7.003 -10.043 -8.126 1.00 0.00 O ATOM 771 OD2 ASP A 50 5.353 -9.198 -9.361 1.00 0.00 O ATOM 0 H ASP A 50 6.472 -9.503 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 50 6.405 -6.831 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.101 -6.975 -8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.555 -7.572 -7.766 1.00 0.00 H new ATOM 776 N TYR A 51 3.551 -7.992 -7.146 1.00 0.00 N ATOM 777 CA TYR A 51 2.157 -7.672 -7.399 1.00 0.00 C ATOM 778 C TYR A 51 1.468 -7.176 -6.126 1.00 0.00 C ATOM 779 O TYR A 51 0.994 -6.042 -6.073 1.00 0.00 O ATOM 780 CB TYR A 51 1.498 -8.978 -7.846 1.00 0.00 C ATOM 781 CG TYR A 51 0.245 -8.783 -8.701 1.00 0.00 C ATOM 782 CD1 TYR A 51 0.291 -7.973 -9.817 1.00 0.00 C ATOM 783 CD2 TYR A 51 -0.931 -9.418 -8.357 1.00 0.00 C ATOM 784 CE1 TYR A 51 -0.889 -7.789 -10.622 1.00 0.00 C ATOM 785 CE2 TYR A 51 -2.111 -9.234 -9.162 1.00 0.00 C ATOM 786 CZ TYR A 51 -2.032 -8.429 -10.255 1.00 0.00 C ATOM 787 OH TYR A 51 -3.146 -8.255 -11.015 1.00 0.00 O ATOM 0 H TYR A 51 3.805 -8.963 -7.326 1.00 0.00 H new ATOM 0 HA TYR A 51 2.074 -6.885 -8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.223 -9.564 -8.411 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.236 -9.561 -6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.212 -7.477 -10.087 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.966 -10.053 -7.484 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.867 -7.157 -11.498 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.038 -9.724 -8.903 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.886 -8.773 -10.634 1.00 0.00 H new ATOM 797 N ASP A 52 1.435 -8.051 -5.131 1.00 0.00 N ATOM 798 CA ASP A 52 0.812 -7.716 -3.862 1.00 0.00 C ATOM 799 C ASP A 52 1.298 -6.339 -3.407 1.00 0.00 C ATOM 800 O ASP A 52 0.492 -5.445 -3.153 1.00 0.00 O ATOM 801 CB ASP A 52 1.188 -8.731 -2.780 1.00 0.00 C ATOM 802 CG ASP A 52 0.037 -9.162 -1.869 1.00 0.00 C ATOM 803 OD1 ASP A 52 -0.531 -8.265 -1.209 1.00 0.00 O ATOM 804 OD2 ASP A 52 -0.250 -10.378 -1.854 1.00 0.00 O ATOM 0 H ASP A 52 1.829 -8.991 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.269 -7.723 -4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.601 -9.617 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.980 -8.305 -2.163 1.00 0.00 H new ATOM 809 N ALA A 53 2.614 -6.210 -3.319 1.00 0.00 N ATOM 810 CA ALA A 53 3.217 -4.956 -2.900 1.00 0.00 C ATOM 811 C ALA A 53 2.773 -3.840 -3.848 1.00 0.00 C ATOM 812 O ALA A 53 2.391 -2.759 -3.404 1.00 0.00 O ATOM 813 CB ALA A 53 4.738 -5.111 -2.854 1.00 0.00 C ATOM 0 H ALA A 53 3.280 -6.953 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 53 2.886 -4.687 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.190 -4.170 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.003 -5.896 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.107 -5.378 -3.844 1.00 0.00 H new ATOM 819 N PHE A 54 2.840 -4.140 -5.137 1.00 0.00 N ATOM 820 CA PHE A 54 2.450 -3.176 -6.151 1.00 0.00 C ATOM 821 C PHE A 54 0.992 -2.749 -5.970 1.00 0.00 C ATOM 822 O PHE A 54 0.713 -1.587 -5.679 1.00 0.00 O ATOM 823 CB PHE A 54 2.602 -3.867 -7.508 1.00 0.00 C ATOM 824 CG PHE A 54 1.746 -3.254 -8.618 1.00 0.00 C ATOM 825 CD1 PHE A 54 1.866 -1.932 -8.917 1.00 0.00 C ATOM 826 CD2 PHE A 54 0.867 -4.030 -9.306 1.00 0.00 C ATOM 827 CE1 PHE A 54 1.072 -1.363 -9.948 1.00 0.00 C ATOM 828 CE2 PHE A 54 0.073 -3.461 -10.336 1.00 0.00 C ATOM 829 CZ PHE A 54 0.192 -2.140 -10.636 1.00 0.00 C ATOM 0 H PHE A 54 3.159 -5.038 -5.502 1.00 0.00 H new ATOM 0 HA PHE A 54 3.073 -2.285 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.649 -3.829 -7.808 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.339 -4.919 -7.400 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.565 -1.316 -8.371 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.773 -5.079 -9.069 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.167 -0.314 -10.186 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.626 -4.078 -10.882 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.412 -1.708 -11.420 1.00 0.00 H new ATOM 839 N GLN A 55 0.100 -3.712 -6.151 1.00 0.00 N ATOM 840 CA GLN A 55 -1.323 -3.451 -6.011 1.00 0.00 C ATOM 841 C GLN A 55 -1.591 -2.637 -4.744 1.00 0.00 C ATOM 842 O GLN A 55 -2.219 -1.581 -4.801 1.00 0.00 O ATOM 843 CB GLN A 55 -2.122 -4.755 -6.004 1.00 0.00 C ATOM 844 CG GLN A 55 -1.940 -5.517 -7.318 1.00 0.00 C ATOM 845 CD GLN A 55 -2.994 -5.099 -8.345 1.00 0.00 C ATOM 846 OE1 GLN A 55 -4.026 -5.730 -8.506 1.00 0.00 O ATOM 847 NE2 GLN A 55 -2.678 -4.003 -9.029 1.00 0.00 N ATOM 0 H GLN A 55 0.335 -4.674 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.651 -2.867 -6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.800 -5.379 -5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.179 -4.537 -5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.943 -5.328 -7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.012 -6.589 -7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.797 -3.523 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.316 -3.643 -9.738 1.00 0.00 H new ATOM 856 N ARG A 56 -1.101 -3.158 -3.629 1.00 0.00 N ATOM 857 CA ARG A 56 -1.280 -2.493 -2.349 1.00 0.00 C ATOM 858 C ARG A 56 -1.088 -0.983 -2.505 1.00 0.00 C ATOM 859 O ARG A 56 -2.002 -0.206 -2.231 1.00 0.00 O ATOM 860 CB ARG A 56 -0.289 -3.022 -1.310 1.00 0.00 C ATOM 861 CG ARG A 56 -0.791 -2.755 0.110 1.00 0.00 C ATOM 862 CD ARG A 56 -0.063 -3.641 1.124 1.00 0.00 C ATOM 863 NE ARG A 56 -0.640 -5.004 1.110 1.00 0.00 N ATOM 864 CZ ARG A 56 -1.841 -5.316 1.614 1.00 0.00 C ATOM 865 NH1 ARG A 56 -2.601 -4.365 2.174 1.00 0.00 N ATOM 866 NH2 ARG A 56 -2.284 -6.580 1.558 1.00 0.00 N ATOM 0 H ARG A 56 -0.580 -4.034 -3.585 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.293 -2.701 -2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.143 -4.093 -1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.681 -2.546 -1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.638 -1.706 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.864 -2.942 0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.000 -3.684 0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.148 -3.211 2.122 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.089 -5.752 0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.265 -3.403 2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.516 -4.603 2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.706 -7.304 1.131 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.199 -6.817 1.942 1.00 0.00 H new ATOM 880 N LEU A 57 0.106 -0.613 -2.944 1.00 0.00 N ATOM 881 CA LEU A 57 0.429 0.790 -3.139 1.00 0.00 C ATOM 882 C LEU A 57 -0.520 1.388 -4.179 1.00 0.00 C ATOM 883 O LEU A 57 -1.135 2.427 -3.940 1.00 0.00 O ATOM 884 CB LEU A 57 1.909 0.955 -3.491 1.00 0.00 C ATOM 885 CG LEU A 57 2.351 2.365 -3.887 1.00 0.00 C ATOM 886 CD1 LEU A 57 2.079 2.630 -5.369 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.699 3.417 -2.988 1.00 0.00 C ATOM 0 H LEU A 57 0.861 -1.260 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 57 0.281 1.347 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.503 0.636 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.144 0.278 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 57 3.428 2.438 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.403 3.639 -5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.629 1.909 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.012 2.531 -5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.030 4.410 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.615 3.352 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.987 3.239 -1.952 1.00 0.00 H new ATOM 899 N ARG A 58 -0.611 0.707 -5.312 1.00 0.00 N ATOM 900 CA ARG A 58 -1.476 1.158 -6.389 1.00 0.00 C ATOM 901 C ARG A 58 -2.842 1.567 -5.837 1.00 0.00 C ATOM 902 O ARG A 58 -3.543 2.378 -6.442 1.00 0.00 O ATOM 903 CB ARG A 58 -1.665 0.061 -7.439 1.00 0.00 C ATOM 904 CG ARG A 58 -1.339 0.581 -8.840 1.00 0.00 C ATOM 905 CD ARG A 58 -2.591 1.136 -9.524 1.00 0.00 C ATOM 906 NE ARG A 58 -3.501 0.028 -9.889 1.00 0.00 N ATOM 907 CZ ARG A 58 -3.374 -0.715 -10.996 1.00 0.00 C ATOM 908 NH1 ARG A 58 -2.374 -0.473 -11.854 1.00 0.00 N ATOM 909 NH2 ARG A 58 -4.248 -1.700 -11.246 1.00 0.00 N ATOM 0 H ARG A 58 -0.100 -0.154 -5.508 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.999 2.018 -6.860 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.022 -0.787 -7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.693 -0.300 -7.411 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.580 1.361 -8.775 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.918 -0.224 -9.442 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.101 1.832 -8.858 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.310 1.696 -10.416 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.274 -0.183 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.709 0.277 -11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.277 -1.039 -12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.010 -1.884 -10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.151 -2.266 -12.089 1.00 0.00 H new ATOM 923 N LYS A 59 -3.181 0.987 -4.695 1.00 0.00 N ATOM 924 CA LYS A 59 -4.452 1.282 -4.054 1.00 0.00 C ATOM 925 C LYS A 59 -4.262 2.426 -3.057 1.00 0.00 C ATOM 926 O LYS A 59 -5.146 3.267 -2.896 1.00 0.00 O ATOM 927 CB LYS A 59 -5.044 0.016 -3.432 1.00 0.00 C ATOM 928 CG LYS A 59 -6.536 -0.106 -3.752 1.00 0.00 C ATOM 929 CD LYS A 59 -7.169 -1.264 -2.978 1.00 0.00 C ATOM 930 CE LYS A 59 -8.665 -1.372 -3.281 1.00 0.00 C ATOM 931 NZ LYS A 59 -9.427 -1.639 -2.041 1.00 0.00 N ATOM 0 H LYS A 59 -2.598 0.314 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.181 1.619 -4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.515 -0.860 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.900 0.036 -2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.043 0.825 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.671 -0.262 -4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.672 -2.198 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.021 -1.116 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.017 -0.448 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.839 -2.171 -4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.440 -1.709 -2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.102 -2.533 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.275 -0.863 -1.366 1.00 0.00 H new ATOM 945 N ILE A 60 -3.104 2.422 -2.413 1.00 0.00 N ATOM 946 CA ILE A 60 -2.787 3.450 -1.436 1.00 0.00 C ATOM 947 C ILE A 60 -2.795 4.818 -2.120 1.00 0.00 C ATOM 948 O ILE A 60 -3.339 5.782 -1.583 1.00 0.00 O ATOM 949 CB ILE A 60 -1.472 3.125 -0.725 1.00 0.00 C ATOM 950 CG1 ILE A 60 -1.626 1.902 0.182 1.00 0.00 C ATOM 951 CG2 ILE A 60 -0.947 4.343 0.039 1.00 0.00 C ATOM 952 CD1 ILE A 60 -0.314 1.586 0.903 1.00 0.00 C ATOM 0 H ILE A 60 -2.374 1.723 -2.549 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.546 3.480 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.728 2.873 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.413 2.084 0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.936 1.042 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.011 4.086 0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.774 5.163 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.681 4.649 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.451 0.713 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.465 1.380 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.020 2.439 1.514 1.00 0.00 H new ATOM 964 N GLU A 61 -2.185 4.860 -3.296 1.00 0.00 N ATOM 965 CA GLU A 61 -2.115 6.094 -4.059 1.00 0.00 C ATOM 966 C GLU A 61 -3.520 6.656 -4.290 1.00 0.00 C ATOM 967 O GLU A 61 -3.726 7.867 -4.229 1.00 0.00 O ATOM 968 CB GLU A 61 -1.386 5.877 -5.387 1.00 0.00 C ATOM 969 CG GLU A 61 0.077 5.496 -5.153 1.00 0.00 C ATOM 970 CD GLU A 61 0.882 6.694 -4.646 1.00 0.00 C ATOM 971 OE1 GLU A 61 1.080 7.627 -5.453 1.00 0.00 O ATOM 972 OE2 GLU A 61 1.281 6.650 -3.462 1.00 0.00 O ATOM 0 H GLU A 61 -1.735 4.059 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.544 6.822 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.884 5.091 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.437 6.786 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.133 4.683 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.513 5.127 -6.081 1.00 0.00 H new ATOM 979 N ILE A 62 -4.450 5.749 -4.551 1.00 0.00 N ATOM 980 CA ILE A 62 -5.829 6.138 -4.791 1.00 0.00 C ATOM 981 C ILE A 62 -6.413 6.744 -3.514 1.00 0.00 C ATOM 982 O ILE A 62 -7.050 7.795 -3.556 1.00 0.00 O ATOM 983 CB ILE A 62 -6.633 4.956 -5.335 1.00 0.00 C ATOM 984 CG1 ILE A 62 -5.972 4.372 -6.586 1.00 0.00 C ATOM 985 CG2 ILE A 62 -8.088 5.352 -5.588 1.00 0.00 C ATOM 986 CD1 ILE A 62 -6.557 3.000 -6.926 1.00 0.00 C ATOM 0 H ILE A 62 -4.275 4.745 -4.601 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.879 6.908 -5.561 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.640 4.171 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.114 5.050 -7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.897 4.284 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.637 4.493 -5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.543 5.683 -4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.123 6.162 -6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.070 2.608 -7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.391 2.317 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.627 3.096 -7.109 1.00 0.00 H new ATOM 998 N LEU A 63 -6.176 6.054 -2.408 1.00 0.00 N ATOM 999 CA LEU A 63 -6.671 6.511 -1.120 1.00 0.00 C ATOM 1000 C LEU A 63 -6.393 8.008 -0.973 1.00 0.00 C ATOM 1001 O LEU A 63 -7.268 8.834 -1.228 1.00 0.00 O ATOM 1002 CB LEU A 63 -6.085 5.663 0.011 1.00 0.00 C ATOM 1003 CG LEU A 63 -6.845 4.379 0.350 1.00 0.00 C ATOM 1004 CD1 LEU A 63 -5.979 3.433 1.184 1.00 0.00 C ATOM 1005 CD2 LEU A 63 -8.175 4.695 1.037 1.00 0.00 C ATOM 0 H LEU A 63 -5.648 5.182 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.751 6.380 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.062 5.397 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.032 6.278 0.909 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.078 3.864 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.543 2.528 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.083 3.170 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.693 3.925 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.695 3.765 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.987 5.244 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.792 5.302 0.374 1.00 0.00 H new ATOM 1017 N THR A 64 -5.170 8.313 -0.564 1.00 0.00 N ATOM 1018 CA THR A 64 -4.766 9.697 -0.380 1.00 0.00 C ATOM 1019 C THR A 64 -5.081 10.515 -1.634 1.00 0.00 C ATOM 1020 O THR A 64 -5.001 10.004 -2.750 1.00 0.00 O ATOM 1021 CB THR A 64 -3.283 9.710 -0.003 1.00 0.00 C ATOM 1022 OG1 THR A 64 -2.964 11.095 0.102 1.00 0.00 O ATOM 1023 CG2 THR A 64 -2.386 9.205 -1.136 1.00 0.00 C ATOM 0 H THR A 64 -4.446 7.626 -0.355 1.00 0.00 H new ATOM 0 HA THR A 64 -5.326 10.169 0.427 1.00 0.00 H new ATOM 0 HB THR A 64 -3.128 9.095 0.883 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.020 11.196 0.345 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.344 9.235 -0.816 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.659 8.180 -1.387 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.515 9.840 -2.013 1.00 0.00 H new ATOM 1031 N PRO A 65 -5.443 11.806 -1.401 1.00 0.00 N ATOM 1032 CA PRO A 65 -5.770 12.700 -2.499 1.00 0.00 C ATOM 1033 C PRO A 65 -4.507 13.150 -3.236 1.00 0.00 C ATOM 1034 O PRO A 65 -4.267 12.740 -4.370 1.00 0.00 O ATOM 1035 CB PRO A 65 -6.525 13.852 -1.855 1.00 0.00 C ATOM 1036 CG PRO A 65 -6.189 13.794 -0.374 1.00 0.00 C ATOM 1037 CD PRO A 65 -5.548 12.445 -0.093 1.00 0.00 C ATOM 0 HA PRO A 65 -6.379 12.220 -3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.224 14.806 -2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.599 13.754 -2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -5.510 14.603 -0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.090 13.921 0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.569 12.561 0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.156 11.852 0.590 1.00 0.00 H new ATOM 1045 N GLU A 66 -3.733 13.987 -2.560 1.00 0.00 N ATOM 1046 CA GLU A 66 -2.501 14.497 -3.137 1.00 0.00 C ATOM 1047 C GLU A 66 -1.762 13.383 -3.881 1.00 0.00 C ATOM 1048 O GLU A 66 -1.400 12.369 -3.287 1.00 0.00 O ATOM 1049 CB GLU A 66 -1.610 15.122 -2.061 1.00 0.00 C ATOM 1050 CG GLU A 66 -0.781 16.272 -2.636 1.00 0.00 C ATOM 1051 CD GLU A 66 0.269 16.747 -1.630 1.00 0.00 C ATOM 1052 OE1 GLU A 66 -0.150 17.297 -0.589 1.00 0.00 O ATOM 1053 OE2 GLU A 66 1.468 16.550 -1.925 1.00 0.00 O ATOM 0 H GLU A 66 -3.935 14.324 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.754 15.279 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.227 15.488 -1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.947 14.363 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.290 15.948 -3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.437 17.101 -2.901 1.00 0.00 H new ATOM 1060 N VAL A 67 -1.562 13.609 -5.171 1.00 0.00 N ATOM 1061 CA VAL A 67 -0.873 12.637 -6.003 1.00 0.00 C ATOM 1062 C VAL A 67 -0.322 13.337 -7.248 1.00 0.00 C ATOM 1063 O VAL A 67 -1.079 13.919 -8.023 1.00 0.00 O ATOM 1064 CB VAL A 67 -1.811 11.475 -6.337 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -3.080 11.976 -7.030 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -1.100 10.423 -7.189 1.00 0.00 C ATOM 0 H VAL A 67 -1.865 14.451 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.025 12.209 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.105 11.003 -5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.729 11.130 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.604 12.670 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.812 12.486 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.789 9.609 -7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.762 10.877 -8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.241 10.032 -6.643 1.00 0.00 H new ATOM 1076 N ASN A 68 0.991 13.256 -7.400 1.00 0.00 N ATOM 1077 CA ASN A 68 1.652 13.874 -8.537 1.00 0.00 C ATOM 1078 C ASN A 68 1.314 13.089 -9.806 1.00 0.00 C ATOM 1079 O ASN A 68 1.733 11.943 -9.962 1.00 0.00 O ATOM 1080 CB ASN A 68 3.172 13.861 -8.364 1.00 0.00 C ATOM 1081 CG ASN A 68 3.802 15.123 -8.958 1.00 0.00 C ATOM 1082 OD1 ASN A 68 4.138 16.067 -8.262 1.00 0.00 O ATOM 1083 ND2 ASN A 68 3.942 15.087 -10.280 1.00 0.00 N ATOM 0 H ASN A 68 1.615 12.772 -6.755 1.00 0.00 H new ATOM 0 HA ASN A 68 1.306 14.905 -8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.421 13.790 -7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.589 12.979 -8.849 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.352 15.881 -10.771 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.640 14.265 -10.803 1.00 0.00 H new ATOM 1090 N LYS A 69 0.560 13.737 -10.682 1.00 0.00 N ATOM 1091 CA LYS A 69 0.161 13.114 -11.932 1.00 0.00 C ATOM 1092 C LYS A 69 -0.261 11.668 -11.665 1.00 0.00 C ATOM 1093 O LYS A 69 0.562 10.756 -11.726 1.00 0.00 O ATOM 1094 CB LYS A 69 1.272 13.248 -12.976 1.00 0.00 C ATOM 1095 CG LYS A 69 0.754 13.929 -14.244 1.00 0.00 C ATOM 1096 CD LYS A 69 0.343 12.894 -15.293 1.00 0.00 C ATOM 1097 CE LYS A 69 -1.098 13.124 -15.755 1.00 0.00 C ATOM 1098 NZ LYS A 69 -1.685 11.866 -16.266 1.00 0.00 N ATOM 0 H LYS A 69 0.215 14.688 -10.550 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.704 13.626 -12.353 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.098 13.825 -12.561 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.664 12.262 -13.223 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.099 14.562 -13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.527 14.580 -14.653 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.016 12.951 -16.148 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.440 11.891 -14.877 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.696 13.501 -14.926 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.119 13.885 -16.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.663 12.040 -16.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.123 11.523 -17.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.683 11.150 -15.512 1.00 0.00 H new ATOM 1112 N GLY A 70 -1.543 11.503 -11.374 1.00 0.00 N ATOM 1113 CA GLY A 70 -2.084 10.184 -11.097 1.00 0.00 C ATOM 1114 C GLY A 70 -2.763 9.598 -12.337 1.00 0.00 C ATOM 1115 O GLY A 70 -3.057 10.321 -13.288 1.00 0.00 O ATOM 0 H GLY A 70 -2.223 12.262 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.284 9.521 -10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.803 10.246 -10.280 1.00 0.00 H new ATOM 1119 N SER A 71 -2.993 8.294 -12.287 1.00 0.00 N ATOM 1120 CA SER A 71 -3.632 7.604 -13.394 1.00 0.00 C ATOM 1121 C SER A 71 -5.148 7.580 -13.191 1.00 0.00 C ATOM 1122 O SER A 71 -5.640 6.991 -12.229 1.00 0.00 O ATOM 1123 CB SER A 71 -3.094 6.179 -13.539 1.00 0.00 C ATOM 1124 OG SER A 71 -3.433 5.606 -14.799 1.00 0.00 O ATOM 0 H SER A 71 -2.748 7.697 -11.497 1.00 0.00 H new ATOM 0 HA SER A 71 -3.403 8.146 -14.312 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.010 6.187 -13.424 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.494 5.557 -12.738 1.00 0.00 H new ATOM 0 HG SER A 71 -3.070 4.697 -14.853 1.00 0.00 H new ATOM 1130 N GLY A 72 -5.847 8.228 -14.111 1.00 0.00 N ATOM 1131 CA GLY A 72 -7.297 8.289 -14.045 1.00 0.00 C ATOM 1132 C GLY A 72 -7.932 7.469 -15.170 1.00 0.00 C ATOM 1133 O GLY A 72 -7.689 6.268 -15.281 1.00 0.00 O ATOM 0 H GLY A 72 -5.436 8.716 -14.907 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.637 7.913 -13.080 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.625 9.326 -14.117 1.00 0.00 H new ATOM 1137 N PRO A 73 -8.755 8.168 -15.997 1.00 0.00 N ATOM 1138 CA PRO A 73 -9.427 7.518 -17.109 1.00 0.00 C ATOM 1139 C PRO A 73 -8.450 7.245 -18.255 1.00 0.00 C ATOM 1140 O PRO A 73 -7.612 8.086 -18.576 1.00 0.00 O ATOM 1141 CB PRO A 73 -10.549 8.466 -17.499 1.00 0.00 C ATOM 1142 CG PRO A 73 -10.182 9.815 -16.903 1.00 0.00 C ATOM 1143 CD PRO A 73 -9.066 9.591 -15.895 1.00 0.00 C ATOM 0 HA PRO A 73 -9.825 6.538 -16.846 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.646 8.531 -18.583 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.507 8.117 -17.114 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.858 10.502 -17.685 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.048 10.267 -16.420 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.195 10.204 -16.126 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.384 9.856 -14.887 1.00 0.00 H new ATOM 1151 N SER A 74 -8.591 6.065 -18.841 1.00 0.00 N ATOM 1152 CA SER A 74 -7.732 5.670 -19.945 1.00 0.00 C ATOM 1153 C SER A 74 -8.373 4.516 -20.719 1.00 0.00 C ATOM 1154 O SER A 74 -9.324 3.898 -20.245 1.00 0.00 O ATOM 1155 CB SER A 74 -6.344 5.268 -19.445 1.00 0.00 C ATOM 1156 OG SER A 74 -5.305 5.931 -20.160 1.00 0.00 O ATOM 0 H SER A 74 -9.287 5.370 -18.572 1.00 0.00 H new ATOM 0 HA SER A 74 -7.615 6.525 -20.611 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.260 5.502 -18.384 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.221 4.190 -19.545 1.00 0.00 H new ATOM 0 HG SER A 74 -4.435 5.648 -19.809 1.00 0.00 H new ATOM 1162 N SER A 75 -7.825 4.262 -21.898 1.00 0.00 N ATOM 1163 CA SER A 75 -8.331 3.193 -22.743 1.00 0.00 C ATOM 1164 C SER A 75 -7.457 3.055 -23.991 1.00 0.00 C ATOM 1165 O SER A 75 -6.974 4.050 -24.529 1.00 0.00 O ATOM 1166 CB SER A 75 -9.786 3.447 -23.140 1.00 0.00 C ATOM 1167 OG SER A 75 -9.962 4.732 -23.730 1.00 0.00 O ATOM 0 H SER A 75 -7.036 4.777 -22.288 1.00 0.00 H new ATOM 0 HA SER A 75 -8.294 2.263 -22.176 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.110 2.678 -23.842 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.422 3.362 -22.259 1.00 0.00 H new ATOM 0 HG SER A 75 -10.904 4.855 -23.971 1.00 0.00 H new ATOM 1173 N GLY A 76 -7.280 1.812 -24.416 1.00 0.00 N ATOM 1174 CA GLY A 76 -6.472 1.531 -25.591 1.00 0.00 C ATOM 1175 C GLY A 76 -5.031 2.002 -25.391 1.00 0.00 C ATOM 1176 O GLY A 76 -4.577 2.927 -26.064 1.00 0.00 O ATOM 0 H GLY A 76 -7.682 0.989 -23.968 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.483 0.461 -25.797 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.903 2.027 -26.460 1.00 0.00 H new TER 1180 GLY A 76