USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 824 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 116 ASN :FLIP amide:sc= 0.288 F(o=-6.3,f=-3.3) USER MOD Set 1.2: A 119 HIS :FLIP no HD1:sc= -3.55 F(o=-3.8!,f=-3.3) USER MOD Set 2.1: A 71 CYS SG : rot -174:sc= 0.167 USER MOD Set 2.2: A 102 CYS SG : rot 180:sc= -1.64 USER MOD Set 3.1: A 62 SER OG : rot -73:sc= -4.34! USER MOD Set 3.2: A 63 CYS SG : rot -109:sc= 0.658! USER MOD Set 3.3: A 68 CYS SG : rot 180:sc= 0.398 USER MOD Set 3.4: A 70 ASN : amide:sc= -0.378 X(o=-3.7,f=-3.6) USER MOD Set 4.1: A 5 TYR OH : rot 2:sc= -0.0829! USER MOD Set 4.2: A 57 TYR OH : rot -59:sc= 2.05 USER MOD Set 5.1: A 7 ASN : amide:sc= -8.61! C(o=-11!,f=-19!) USER MOD Set 5.2: A 10 THR OG1 : rot -19:sc= -2.62! USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -112:sc= -0.977 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 0.888 (180deg=0.886) USER MOD Single : A 37 TYR OH : rot 70:sc= 1.1 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 40 MET CE :methyl -105:sc= -6.85! (180deg=-12.5!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 84:sc= -0.254 USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= -0.199 (180deg=-0.534) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -3.09! C(o=-3.1!,f=-4.5!) USER MOD Single : A 86 GLN : amide:sc= -1.01 X(o=-1,f=-1.3!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.222 USER MOD Single : A 96 LYS NZ :NH3+ -126:sc= -0.0125 (180deg=-0.145) USER MOD Single : A 101 THR OG1 : rot 180:sc=0.000225 USER MOD Single : A 105 SER OG : rot -170:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -19.978 -15.303 12.805 1.00 3.92 N ATOM 2 CA PRO A 1 -18.541 -15.629 13.015 1.00 3.44 C ATOM 3 C PRO A 1 -17.714 -14.346 13.142 1.00 3.50 C ATOM 4 O PRO A 1 -17.129 -13.875 12.187 1.00 4.94 O ATOM 5 CB PRO A 1 -18.153 -16.404 11.760 1.00 2.00 C ATOM 6 CG PRO A 1 -19.123 -15.952 10.720 1.00 4.99 C ATOM 7 CD PRO A 1 -20.402 -15.611 11.436 1.00 3.38 C ATOM 0 H2 PRO A 1 -20.136 -14.314 12.997 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.548 -15.830 13.466 1.00 3.92 H new ATOM 0 HA PRO A 1 -18.364 -16.197 13.928 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.126 -16.189 11.464 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.220 -17.480 11.923 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -18.738 -15.085 10.183 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -19.291 -16.736 9.981 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -20.902 -14.760 10.973 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -21.104 -16.444 11.415 1.00 3.38 H new ATOM 17 N THR A 2 -17.665 -13.779 14.316 1.00 3.08 N ATOM 18 CA THR A 2 -16.878 -12.527 14.507 1.00 2.08 C ATOM 19 C THR A 2 -15.636 -12.811 15.356 1.00 2.52 C ATOM 20 O THR A 2 -15.730 -13.133 16.523 1.00 2.28 O ATOM 21 CB THR A 2 -17.821 -11.571 15.239 1.00 3.47 C ATOM 22 OG1 THR A 2 -19.083 -11.562 14.585 1.00 3.73 O ATOM 23 CG2 THR A 2 -17.229 -10.162 15.233 1.00 3.09 C ATOM 0 H THR A 2 -18.135 -14.128 15.151 1.00 3.08 H new ATOM 0 HA THR A 2 -16.530 -12.109 13.562 1.00 2.08 H new ATOM 0 HB THR A 2 -17.948 -11.902 16.270 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.690 -10.951 15.053 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.902 -9.482 15.755 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.262 -10.172 15.735 1.00 3.09 H new ATOM 0 HG23 THR A 2 -17.100 -9.826 14.204 1.00 3.09 H new ATOM 31 N VAL A 3 -14.471 -12.696 14.777 1.00 10.00 N ATOM 32 CA VAL A 3 -13.223 -12.960 15.549 1.00 10.00 C ATOM 33 C VAL A 3 -12.475 -11.649 15.808 1.00 10.00 C ATOM 34 O VAL A 3 -12.148 -10.923 14.893 1.00 10.00 O ATOM 35 CB VAL A 3 -12.394 -13.883 14.656 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.226 -14.458 15.459 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.274 -15.027 14.147 1.00 10.00 C ATOM 0 H VAL A 3 -14.330 -12.431 13.802 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.425 -13.408 16.522 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.008 -13.316 13.809 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.635 -15.116 14.822 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.598 -13.644 15.821 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -11.611 -15.024 16.307 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -12.683 -15.685 13.510 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.661 -15.593 14.994 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.106 -14.619 13.573 1.00 10.00 H new ATOM 47 N GLU A 4 -12.200 -11.342 17.045 1.00 10.00 N ATOM 48 CA GLU A 4 -11.473 -10.077 17.357 1.00 10.00 C ATOM 49 C GLU A 4 -9.965 -10.339 17.433 1.00 10.00 C ATOM 50 O GLU A 4 -9.509 -11.157 18.207 1.00 10.00 O ATOM 51 CB GLU A 4 -12.013 -9.640 18.718 1.00 50.00 C ATOM 52 CG GLU A 4 -11.995 -8.114 18.812 1.00 50.00 C ATOM 53 CD GLU A 4 -12.485 -7.682 20.195 1.00 50.00 C ATOM 54 OE1 GLU A 4 -12.036 -8.264 21.170 1.00 50.00 O ATOM 55 OE2 GLU A 4 -13.301 -6.778 20.258 1.00 50.00 O ATOM 0 H GLU A 4 -12.447 -11.912 17.854 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.623 -9.313 16.594 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -13.029 -10.011 18.853 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.408 -10.071 19.516 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -10.986 -7.740 18.639 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -12.631 -7.684 18.038 1.00 50.00 H new ATOM 62 N TYR A 5 -9.186 -9.658 16.634 1.00 10.00 N ATOM 63 CA TYR A 5 -7.710 -9.884 16.667 1.00 10.00 C ATOM 64 C TYR A 5 -7.009 -8.799 17.495 1.00 10.00 C ATOM 65 O TYR A 5 -7.375 -7.640 17.463 1.00 10.00 O ATOM 66 CB TYR A 5 -7.265 -9.820 15.205 1.00 10.00 C ATOM 67 CG TYR A 5 -7.538 -8.443 14.647 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.695 -7.375 14.976 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.629 -8.237 13.796 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.946 -6.100 14.454 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.880 -6.962 13.276 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.039 -5.894 13.604 1.00 50.00 C ATOM 73 OH TYR A 5 -8.286 -4.638 13.089 1.00 50.00 O ATOM 0 H TYR A 5 -9.505 -8.959 15.963 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.456 -10.837 17.131 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -6.202 -10.049 15.128 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.796 -10.571 14.620 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.852 -7.534 15.632 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -9.278 -9.062 13.540 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -6.296 -5.275 14.707 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.724 -6.803 12.621 1.00 50.00 H new ATOM 0 HH TYR A 5 -7.589 -4.018 13.390 1.00 50.00 H new ATOM 83 N LEU A 6 -5.997 -9.177 18.232 1.00 10.00 N ATOM 84 CA LEU A 6 -5.249 -8.189 19.068 1.00 10.00 C ATOM 85 C LEU A 6 -3.744 -8.434 18.919 1.00 10.00 C ATOM 86 O LEU A 6 -3.228 -9.455 19.328 1.00 10.00 O ATOM 87 CB LEU A 6 -5.714 -8.459 20.505 1.00 12.50 C ATOM 88 CG LEU A 6 -4.858 -7.683 21.522 1.00 12.50 C ATOM 89 CD1 LEU A 6 -4.451 -6.318 20.958 1.00 50.00 C ATOM 90 CD2 LEU A 6 -5.668 -7.474 22.803 1.00 50.00 C ATOM 0 H LEU A 6 -5.653 -10.136 18.291 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.435 -7.155 18.777 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.760 -8.171 20.612 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.654 -9.527 20.715 1.00 12.50 H new ATOM 0 HG LEU A 6 -3.957 -8.259 21.733 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.847 -5.786 21.693 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -3.872 -6.459 20.046 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.345 -5.736 20.734 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.067 -6.925 23.528 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.570 -6.906 22.575 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -5.945 -8.442 23.220 1.00 50.00 H new ATOM 102 N ASN A 7 -3.039 -7.512 18.319 1.00 10.00 N ATOM 103 CA ASN A 7 -1.571 -7.697 18.127 1.00 10.00 C ATOM 104 C ASN A 7 -0.889 -8.056 19.448 1.00 10.00 C ATOM 105 O ASN A 7 -1.007 -7.353 20.432 1.00 10.00 O ATOM 106 CB ASN A 7 -1.064 -6.348 17.615 1.00 10.00 C ATOM 107 CG ASN A 7 -1.186 -5.297 18.718 1.00 10.00 C ATOM 108 OD1 ASN A 7 -2.012 -5.418 19.602 1.00 12.50 O ATOM 109 ND2 ASN A 7 -0.394 -4.260 18.703 1.00 12.50 N ATOM 0 H ASN A 7 -3.417 -6.638 17.953 1.00 10.00 H new ATOM 0 HA ASN A 7 -1.353 -8.510 17.434 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -0.025 -6.436 17.297 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -1.639 -6.041 16.742 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -0.468 -3.551 19.433 1.00 12.50 H new ATOM 0 HD22 ASN A 7 0.299 -4.158 17.962 1.00 12.50 H new ATOM 116 N TYR A 8 -0.166 -9.142 19.472 1.00 50.00 N ATOM 117 CA TYR A 8 0.536 -9.541 20.725 1.00 50.00 C ATOM 118 C TYR A 8 1.525 -8.447 21.130 1.00 50.00 C ATOM 119 O TYR A 8 1.950 -8.367 22.265 1.00 50.00 O ATOM 120 CB TYR A 8 1.274 -10.833 20.374 1.00 50.00 C ATOM 121 CG TYR A 8 2.197 -11.210 21.509 1.00 50.00 C ATOM 122 CD1 TYR A 8 1.728 -12.016 22.553 1.00 50.00 C ATOM 123 CD2 TYR A 8 3.521 -10.752 21.518 1.00 50.00 C ATOM 124 CE1 TYR A 8 2.584 -12.365 23.606 1.00 50.00 C ATOM 125 CE2 TYR A 8 4.375 -11.102 22.569 1.00 50.00 C ATOM 126 CZ TYR A 8 3.906 -11.908 23.614 1.00 50.00 C ATOM 127 OH TYR A 8 4.749 -12.252 24.651 1.00 50.00 O ATOM 0 H TYR A 8 -0.031 -9.770 18.679 1.00 50.00 H new ATOM 0 HA TYR A 8 -0.148 -9.684 21.562 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.559 -11.635 20.191 1.00 50.00 H new ATOM 0 HB3 TYR A 8 1.845 -10.700 19.455 1.00 50.00 H new ATOM 0 HD1 TYR A 8 0.707 -12.369 22.547 1.00 50.00 H new ATOM 0 HD2 TYR A 8 3.882 -10.129 20.713 1.00 50.00 H new ATOM 0 HE1 TYR A 8 2.223 -12.987 24.412 1.00 50.00 H new ATOM 0 HE2 TYR A 8 5.396 -10.751 22.575 1.00 50.00 H new ATOM 0 HH TYR A 8 4.956 -11.455 25.183 1.00 50.00 H new ATOM 137 N GLU A 9 1.888 -7.598 20.206 1.00 25.00 N ATOM 138 CA GLU A 9 2.843 -6.502 20.532 1.00 25.00 C ATOM 139 C GLU A 9 2.234 -5.585 21.593 1.00 25.00 C ATOM 140 O GLU A 9 2.891 -5.181 22.531 1.00 25.00 O ATOM 141 CB GLU A 9 3.041 -5.744 19.220 1.00 50.00 C ATOM 142 CG GLU A 9 4.001 -6.523 18.321 1.00 50.00 C ATOM 143 CD GLU A 9 3.199 -7.352 17.315 1.00 50.00 C ATOM 144 OE1 GLU A 9 2.537 -8.284 17.739 1.00 50.00 O ATOM 145 OE2 GLU A 9 3.262 -7.041 16.136 1.00 50.00 O ATOM 0 H GLU A 9 1.564 -7.617 19.239 1.00 25.00 H new ATOM 0 HA GLU A 9 3.787 -6.876 20.930 1.00 25.00 H new ATOM 0 HB2 GLU A 9 2.083 -5.610 18.717 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.439 -4.749 19.419 1.00 50.00 H new ATOM 0 HG2 GLU A 9 4.663 -5.835 17.795 1.00 50.00 H new ATOM 0 HG3 GLU A 9 4.633 -7.175 18.924 1.00 50.00 H new ATOM 152 N THR A 10 0.978 -5.258 21.453 1.00 50.00 N ATOM 153 CA THR A 10 0.327 -4.373 22.458 1.00 50.00 C ATOM 154 C THR A 10 0.355 -5.044 23.831 1.00 50.00 C ATOM 155 O THR A 10 0.556 -4.403 24.844 1.00 50.00 O ATOM 156 CB THR A 10 -1.113 -4.203 21.973 1.00 50.00 C ATOM 157 OG1 THR A 10 -1.133 -3.340 20.844 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.960 -3.600 23.094 1.00 50.00 C ATOM 0 H THR A 10 0.377 -5.565 20.688 1.00 50.00 H new ATOM 0 HA THR A 10 0.833 -3.413 22.556 1.00 50.00 H new ATOM 0 HB THR A 10 -1.521 -5.174 21.694 1.00 50.00 H new ATOM 0 HG1 THR A 10 -0.304 -2.819 20.816 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.987 -3.478 22.749 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.944 -4.263 23.959 1.00 50.00 H new ATOM 0 HG23 THR A 10 -1.554 -2.628 23.374 1.00 50.00 H new ATOM 166 N LEU A 11 0.160 -6.334 23.872 1.00 50.00 N ATOM 167 CA LEU A 11 0.182 -7.046 25.180 1.00 50.00 C ATOM 168 C LEU A 11 1.594 -7.005 25.767 1.00 50.00 C ATOM 169 O LEU A 11 1.788 -6.708 26.930 1.00 50.00 O ATOM 170 CB LEU A 11 -0.218 -8.487 24.856 1.00 50.00 C ATOM 171 CG LEU A 11 0.123 -9.388 26.044 1.00 50.00 C ATOM 172 CD1 LEU A 11 -0.484 -8.801 27.320 1.00 50.00 C ATOM 173 CD2 LEU A 11 -0.450 -10.787 25.804 1.00 50.00 C ATOM 0 H LEU A 11 -0.013 -6.924 23.058 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.488 -6.594 25.911 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.285 -8.540 24.640 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.306 -8.830 23.963 1.00 50.00 H new ATOM 0 HG LEU A 11 1.206 -9.452 26.152 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -0.241 -9.443 28.167 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.077 -7.804 27.491 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -1.567 -8.737 27.212 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -0.207 -11.430 26.650 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -1.533 -10.723 25.696 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.019 -11.206 24.895 1.00 50.00 H new ATOM 185 N ASP A 12 2.584 -7.296 24.966 1.00 50.00 N ATOM 186 CA ASP A 12 3.987 -7.270 25.468 1.00 50.00 C ATOM 187 C ASP A 12 4.459 -5.824 25.627 1.00 50.00 C ATOM 188 O ASP A 12 5.148 -5.484 26.569 1.00 50.00 O ATOM 189 CB ASP A 12 4.804 -7.988 24.394 1.00 50.00 C ATOM 190 CG ASP A 12 5.788 -8.952 25.059 1.00 50.00 C ATOM 191 OD1 ASP A 12 5.396 -9.603 26.014 1.00 50.00 O ATOM 192 OD2 ASP A 12 6.917 -9.024 24.602 1.00 50.00 O ATOM 0 H ASP A 12 2.481 -7.551 23.984 1.00 50.00 H new ATOM 0 HA ASP A 12 4.089 -7.747 26.443 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.141 -8.534 23.723 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.344 -7.262 23.787 1.00 50.00 H new ATOM 197 N ASP A 13 4.091 -4.964 24.715 1.00 50.00 N ATOM 198 CA ASP A 13 4.516 -3.540 24.820 1.00 50.00 C ATOM 199 C ASP A 13 3.974 -2.930 26.114 1.00 50.00 C ATOM 200 O ASP A 13 4.697 -2.318 26.874 1.00 50.00 O ATOM 201 CB ASP A 13 3.904 -2.849 23.601 1.00 50.00 C ATOM 202 CG ASP A 13 4.537 -1.466 23.429 1.00 50.00 C ATOM 203 OD1 ASP A 13 5.716 -1.337 23.713 1.00 50.00 O ATOM 204 OD2 ASP A 13 3.831 -0.561 23.017 1.00 50.00 O ATOM 0 H ASP A 13 3.515 -5.187 23.903 1.00 50.00 H new ATOM 0 HA ASP A 13 5.600 -3.430 24.843 1.00 50.00 H new ATOM 0 HB2 ASP A 13 4.069 -3.450 22.707 1.00 50.00 H new ATOM 0 HB3 ASP A 13 2.825 -2.754 23.726 1.00 50.00 H new ATOM 209 N GLN A 14 2.705 -3.100 26.371 1.00 50.00 N ATOM 210 CA GLN A 14 2.117 -2.537 27.620 1.00 50.00 C ATOM 211 C GLN A 14 2.514 -3.404 28.818 1.00 50.00 C ATOM 212 O GLN A 14 2.563 -2.943 29.942 1.00 50.00 O ATOM 213 CB GLN A 14 0.604 -2.580 27.402 1.00 50.00 C ATOM 214 CG GLN A 14 -0.032 -1.318 27.988 1.00 50.00 C ATOM 215 CD GLN A 14 -1.147 -0.830 27.060 1.00 50.00 C ATOM 216 OE1 GLN A 14 -2.299 -1.168 27.246 1.00 50.00 O ATOM 217 NE2 GLN A 14 -0.851 -0.046 26.060 1.00 50.00 N ATOM 0 H GLN A 14 2.051 -3.603 25.771 1.00 50.00 H new ATOM 0 HA GLN A 14 2.466 -1.525 27.826 1.00 50.00 H new ATOM 0 HB2 GLN A 14 0.381 -2.652 26.337 1.00 50.00 H new ATOM 0 HB3 GLN A 14 0.183 -3.466 27.876 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -0.435 -1.527 28.979 1.00 50.00 H new ATOM 0 HG3 GLN A 14 0.722 -0.540 28.108 1.00 50.00 H new ATOM 0 HE21 GLN A 14 0.116 0.238 25.904 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -1.587 0.283 25.435 1.00 50.00 H new ATOM 226 N GLY A 15 2.800 -4.655 28.585 1.00 50.00 N ATOM 227 CA GLY A 15 3.196 -5.552 29.706 1.00 50.00 C ATOM 228 C GLY A 15 1.994 -5.785 30.622 1.00 50.00 C ATOM 229 O GLY A 15 2.080 -5.633 31.824 1.00 50.00 O ATOM 0 H GLY A 15 2.776 -5.095 27.665 1.00 50.00 H new ATOM 0 HA2 GLY A 15 3.558 -6.503 29.315 1.00 50.00 H new ATOM 0 HA3 GLY A 15 4.016 -5.107 30.270 1.00 50.00 H new ATOM 233 N TRP A 16 0.874 -6.153 30.064 1.00 50.00 N ATOM 234 CA TRP A 16 -0.330 -6.394 30.908 1.00 50.00 C ATOM 235 C TRP A 16 -0.712 -7.874 30.878 1.00 50.00 C ATOM 236 O TRP A 16 0.037 -8.712 30.414 1.00 50.00 O ATOM 237 CB TRP A 16 -1.434 -5.544 30.280 1.00 50.00 C ATOM 238 CG TRP A 16 -1.870 -4.498 31.254 1.00 50.00 C ATOM 239 CD1 TRP A 16 -2.264 -3.247 30.925 1.00 50.00 C ATOM 240 CD2 TRP A 16 -1.962 -4.588 32.706 1.00 50.00 C ATOM 241 NE1 TRP A 16 -2.591 -2.562 32.082 1.00 50.00 N ATOM 242 CE2 TRP A 16 -2.422 -3.346 33.206 1.00 50.00 C ATOM 243 CE3 TRP A 16 -1.693 -5.615 33.628 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.608 -3.131 34.572 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -1.881 -5.403 35.004 1.00 50.00 C ATOM 246 CH2 TRP A 16 -2.337 -4.164 35.474 1.00 50.00 C ATOM 0 H TRP A 16 0.740 -6.297 29.063 1.00 50.00 H new ATOM 0 HA TRP A 16 -0.158 -6.132 31.952 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.072 -5.076 29.365 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.280 -6.173 30.003 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -2.315 -2.848 29.923 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -2.917 -1.596 32.102 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -1.340 -6.573 33.276 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -2.959 -2.174 34.930 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -1.673 -6.199 35.703 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -2.479 -4.007 36.533 1.00 50.00 H new ATOM 257 N ASP A 17 -1.872 -8.202 31.372 1.00 50.00 N ATOM 258 CA ASP A 17 -2.306 -9.629 31.378 1.00 50.00 C ATOM 259 C ASP A 17 -3.008 -9.975 30.062 1.00 50.00 C ATOM 260 O ASP A 17 -3.328 -9.110 29.271 1.00 50.00 O ATOM 261 CB ASP A 17 -3.278 -9.740 32.551 1.00 50.00 C ATOM 262 CG ASP A 17 -2.492 -9.754 33.863 1.00 50.00 C ATOM 263 OD1 ASP A 17 -1.286 -9.934 33.807 1.00 50.00 O ATOM 264 OD2 ASP A 17 -3.108 -9.584 34.902 1.00 50.00 O ATOM 0 H ASP A 17 -2.540 -7.544 31.773 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.466 -10.317 31.478 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -3.975 -8.902 32.541 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -3.872 -10.649 32.460 1.00 50.00 H new ATOM 269 N MET A 18 -3.249 -11.235 29.825 1.00 50.00 N ATOM 270 CA MET A 18 -3.929 -11.640 28.562 1.00 50.00 C ATOM 271 C MET A 18 -5.436 -11.395 28.667 1.00 50.00 C ATOM 272 O MET A 18 -6.086 -11.041 27.704 1.00 50.00 O ATOM 273 CB MET A 18 -3.636 -13.133 28.416 1.00 50.00 C ATOM 274 CG MET A 18 -2.539 -13.339 27.368 1.00 50.00 C ATOM 275 SD MET A 18 -2.380 -15.103 26.998 1.00 50.00 S ATOM 276 CE MET A 18 -0.833 -15.384 27.892 1.00 50.00 C ATOM 0 H MET A 18 -3.004 -12.002 30.451 1.00 50.00 H new ATOM 0 HA MET A 18 -3.576 -11.069 27.703 1.00 50.00 H new ATOM 0 HB2 MET A 18 -3.321 -13.548 29.374 1.00 50.00 H new ATOM 0 HB3 MET A 18 -4.540 -13.665 28.120 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.781 -12.787 26.460 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.591 -12.947 27.737 1.00 50.00 H new ATOM 0 HE1 MET A 18 -0.542 -16.430 27.796 1.00 50.00 H new ATOM 0 HE2 MET A 18 -0.051 -14.750 27.474 1.00 50.00 H new ATOM 0 HE3 MET A 18 -0.972 -15.142 28.946 1.00 50.00 H new ATOM 286 N ASP A 19 -5.998 -11.582 29.830 1.00 50.00 N ATOM 287 CA ASP A 19 -7.464 -11.362 29.991 1.00 50.00 C ATOM 288 C ASP A 19 -7.737 -10.393 31.146 1.00 50.00 C ATOM 289 O ASP A 19 -8.748 -9.720 31.176 1.00 50.00 O ATOM 290 CB ASP A 19 -8.042 -12.742 30.300 1.00 50.00 C ATOM 291 CG ASP A 19 -9.363 -12.922 29.549 1.00 50.00 C ATOM 292 OD1 ASP A 19 -9.916 -11.924 29.117 1.00 50.00 O ATOM 293 OD2 ASP A 19 -9.797 -14.054 29.417 1.00 50.00 O ATOM 0 H ASP A 19 -5.507 -11.877 30.674 1.00 50.00 H new ATOM 0 HA ASP A 19 -7.912 -10.922 29.100 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -7.335 -13.518 30.006 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -8.204 -12.848 31.373 1.00 50.00 H new ATOM 298 N ASP A 20 -6.846 -10.316 32.096 1.00 50.00 N ATOM 299 CA ASP A 20 -7.064 -9.387 33.243 1.00 50.00 C ATOM 300 C ASP A 20 -7.299 -7.964 32.728 1.00 50.00 C ATOM 301 O ASP A 20 -8.393 -7.441 32.800 1.00 50.00 O ATOM 302 CB ASP A 20 -5.780 -9.458 34.068 1.00 50.00 C ATOM 303 CG ASP A 20 -6.135 -9.592 35.551 1.00 50.00 C ATOM 304 OD1 ASP A 20 -6.595 -10.655 35.936 1.00 50.00 O ATOM 305 OD2 ASP A 20 -5.941 -8.631 36.275 1.00 50.00 O ATOM 0 H ASP A 20 -5.980 -10.853 32.129 1.00 50.00 H new ATOM 0 HA ASP A 20 -7.937 -9.660 33.835 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -5.176 -10.308 33.749 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -5.180 -8.562 33.906 1.00 50.00 H new ATOM 310 N ASP A 21 -6.283 -7.336 32.201 1.00 50.00 N ATOM 311 CA ASP A 21 -6.457 -5.951 31.677 1.00 50.00 C ATOM 312 C ASP A 21 -7.295 -5.979 30.395 1.00 50.00 C ATOM 313 O ASP A 21 -7.655 -4.952 29.855 1.00 50.00 O ATOM 314 CB ASP A 21 -5.042 -5.453 31.383 1.00 50.00 C ATOM 315 CG ASP A 21 -5.114 -4.088 30.697 1.00 50.00 C ATOM 316 OD1 ASP A 21 -5.382 -3.115 31.382 1.00 50.00 O ATOM 317 OD2 ASP A 21 -4.901 -4.038 29.496 1.00 50.00 O ATOM 0 H ASP A 21 -5.343 -7.721 32.111 1.00 50.00 H new ATOM 0 HA ASP A 21 -6.974 -5.302 32.384 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -4.472 -5.377 32.309 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -4.519 -6.166 30.745 1.00 50.00 H new ATOM 322 N ASP A 22 -7.607 -7.148 29.908 1.00 50.00 N ATOM 323 CA ASP A 22 -8.421 -7.247 28.663 1.00 50.00 C ATOM 324 C ASP A 22 -7.940 -6.226 27.631 1.00 50.00 C ATOM 325 O ASP A 22 -8.707 -5.429 27.126 1.00 50.00 O ATOM 326 CB ASP A 22 -9.853 -6.937 29.102 1.00 50.00 C ATOM 327 CG ASP A 22 -10.661 -8.234 29.159 1.00 50.00 C ATOM 328 OD1 ASP A 22 -11.160 -8.643 28.124 1.00 50.00 O ATOM 329 OD2 ASP A 22 -10.766 -8.795 30.236 1.00 50.00 O ATOM 0 H ASP A 22 -7.333 -8.041 30.319 1.00 50.00 H new ATOM 0 HA ASP A 22 -8.342 -8.228 28.195 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -9.849 -6.455 30.080 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -10.315 -6.238 28.405 1.00 50.00 H new ATOM 334 N LEU A 23 -6.675 -6.244 27.313 1.00 50.00 N ATOM 335 CA LEU A 23 -6.146 -5.275 26.312 1.00 50.00 C ATOM 336 C LEU A 23 -7.108 -5.165 25.125 1.00 50.00 C ATOM 337 O LEU A 23 -7.321 -4.098 24.585 1.00 50.00 O ATOM 338 CB LEU A 23 -4.803 -5.855 25.872 1.00 50.00 C ATOM 339 CG LEU A 23 -3.845 -5.871 27.066 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.228 -7.263 27.209 1.00 50.00 C ATOM 341 CD2 LEU A 23 -2.737 -4.840 26.844 1.00 50.00 C ATOM 0 H LEU A 23 -5.985 -6.887 27.702 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.037 -4.271 26.722 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -4.939 -6.865 25.486 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -4.384 -5.258 25.062 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.394 -5.624 27.975 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -2.546 -7.273 28.059 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -4.018 -7.997 27.369 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -2.679 -7.513 26.301 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.054 -4.851 27.694 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -2.188 -5.086 25.935 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.178 -3.848 26.745 1.00 50.00 H new ATOM 353 N PHE A 24 -7.701 -6.258 24.723 1.00 50.00 N ATOM 354 CA PHE A 24 -8.658 -6.209 23.583 1.00 50.00 C ATOM 355 C PHE A 24 -9.579 -5.002 23.753 1.00 50.00 C ATOM 356 O PHE A 24 -10.077 -4.439 22.799 1.00 50.00 O ATOM 357 CB PHE A 24 -9.464 -7.505 23.679 1.00 50.00 C ATOM 358 CG PHE A 24 -8.781 -8.598 22.894 1.00 50.00 C ATOM 359 CD1 PHE A 24 -7.814 -9.401 23.511 1.00 50.00 C ATOM 360 CD2 PHE A 24 -9.118 -8.813 21.553 1.00 50.00 C ATOM 361 CE1 PHE A 24 -7.186 -10.421 22.786 1.00 50.00 C ATOM 362 CE2 PHE A 24 -8.489 -9.832 20.828 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.525 -10.637 21.445 1.00 50.00 C ATOM 0 H PHE A 24 -7.563 -7.181 25.135 1.00 50.00 H new ATOM 0 HA PHE A 24 -8.158 -6.116 22.619 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -9.564 -7.804 24.722 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -10.472 -7.345 23.295 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -7.553 -9.234 24.545 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -9.863 -8.193 21.077 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -6.440 -11.041 23.261 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -8.748 -9.997 19.792 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.042 -11.425 20.886 1.00 50.00 H new ATOM 373 N GLU A 25 -9.801 -4.605 24.974 1.00 50.00 N ATOM 374 CA GLU A 25 -10.686 -3.432 25.233 1.00 50.00 C ATOM 375 C GLU A 25 -9.838 -2.187 25.505 1.00 50.00 C ATOM 376 O GLU A 25 -10.112 -1.115 25.002 1.00 50.00 O ATOM 377 CB GLU A 25 -11.498 -3.811 26.472 1.00 50.00 C ATOM 378 CG GLU A 25 -12.792 -2.995 26.503 1.00 50.00 C ATOM 379 CD GLU A 25 -12.462 -1.509 26.351 1.00 50.00 C ATOM 380 OE1 GLU A 25 -12.103 -0.897 27.344 1.00 50.00 O ATOM 381 OE2 GLU A 25 -12.573 -1.006 25.245 1.00 50.00 O ATOM 0 H GLU A 25 -9.407 -5.042 25.807 1.00 50.00 H new ATOM 0 HA GLU A 25 -11.329 -3.202 24.383 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -11.728 -4.876 26.458 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -10.915 -3.623 27.374 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -13.456 -3.315 25.700 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -13.321 -3.167 27.441 1.00 50.00 H new ATOM 388 N LYS A 26 -8.807 -2.321 26.294 1.00 50.00 N ATOM 389 CA LYS A 26 -7.940 -1.147 26.591 1.00 50.00 C ATOM 390 C LYS A 26 -7.295 -0.637 25.301 1.00 50.00 C ATOM 391 O LYS A 26 -7.005 0.533 25.157 1.00 50.00 O ATOM 392 CB LYS A 26 -6.873 -1.674 27.551 1.00 50.00 C ATOM 393 CG LYS A 26 -7.190 -1.212 28.976 1.00 50.00 C ATOM 394 CD LYS A 26 -5.981 -0.474 29.554 1.00 50.00 C ATOM 395 CE LYS A 26 -6.314 0.028 30.960 1.00 50.00 C ATOM 396 NZ LYS A 26 -5.109 -0.295 31.777 1.00 50.00 N ATOM 0 H LYS A 26 -8.528 -3.192 26.745 1.00 50.00 H new ATOM 0 HA LYS A 26 -8.498 -0.316 27.022 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -6.839 -2.763 27.510 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -5.889 -1.313 27.251 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -8.061 -0.557 28.972 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -7.439 -2.070 29.601 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -5.118 -1.139 29.589 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -5.712 0.364 28.911 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -6.516 1.099 30.960 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -7.203 -0.464 31.355 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -5.246 0.049 32.749 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -4.965 -1.325 31.792 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -4.274 0.165 31.361 1.00 50.00 H new ATOM 410 N ALA A 27 -7.070 -1.513 24.362 1.00 50.00 N ATOM 411 CA ALA A 27 -6.445 -1.089 23.076 1.00 50.00 C ATOM 412 C ALA A 27 -7.356 -0.098 22.346 1.00 50.00 C ATOM 413 O ALA A 27 -6.899 0.768 21.629 1.00 50.00 O ATOM 414 CB ALA A 27 -6.296 -2.378 22.267 1.00 50.00 C ATOM 0 H ALA A 27 -7.292 -2.506 24.429 1.00 50.00 H new ATOM 0 HA ALA A 27 -5.489 -0.588 23.226 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.842 -2.152 21.302 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -5.662 -3.078 22.811 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -7.278 -2.824 22.110 1.00 50.00 H new ATOM 420 N ALA A 28 -8.644 -0.221 22.523 1.00 50.00 N ATOM 421 CA ALA A 28 -9.584 0.713 21.839 1.00 50.00 C ATOM 422 C ALA A 28 -9.497 2.106 22.467 1.00 50.00 C ATOM 423 O ALA A 28 -9.831 3.097 21.850 1.00 50.00 O ATOM 424 CB ALA A 28 -10.973 0.112 22.060 1.00 50.00 C ATOM 0 H ALA A 28 -9.086 -0.928 23.111 1.00 50.00 H new ATOM 0 HA ALA A 28 -9.353 0.827 20.780 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -11.723 0.744 21.585 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.011 -0.886 21.624 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -11.176 0.049 23.129 1.00 50.00 H new ATOM 430 N ASP A 29 -9.052 2.188 23.692 1.00 50.00 N ATOM 431 CA ASP A 29 -8.946 3.516 24.360 1.00 50.00 C ATOM 432 C ASP A 29 -7.622 4.190 23.991 1.00 50.00 C ATOM 433 O ASP A 29 -7.442 5.376 24.184 1.00 50.00 O ATOM 434 CB ASP A 29 -8.993 3.213 25.857 1.00 50.00 C ATOM 435 CG ASP A 29 -9.026 4.526 26.642 1.00 50.00 C ATOM 436 OD1 ASP A 29 -8.114 5.317 26.473 1.00 50.00 O ATOM 437 OD2 ASP A 29 -9.964 4.717 27.398 1.00 50.00 O ATOM 0 H ASP A 29 -8.757 1.393 24.259 1.00 50.00 H new ATOM 0 HA ASP A 29 -9.743 4.194 24.057 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -9.874 2.615 26.090 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -8.122 2.625 26.147 1.00 50.00 H new ATOM 442 N ALA A 30 -6.694 3.442 23.459 1.00 50.00 N ATOM 443 CA ALA A 30 -5.381 4.040 23.078 1.00 50.00 C ATOM 444 C ALA A 30 -5.375 4.394 21.589 1.00 50.00 C ATOM 445 O ALA A 30 -4.578 5.190 21.133 1.00 50.00 O ATOM 446 CB ALA A 30 -4.349 2.953 23.375 1.00 50.00 C ATOM 0 H ALA A 30 -6.787 2.444 23.272 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.172 4.960 23.624 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -3.354 3.317 23.120 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -4.383 2.699 24.435 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -4.574 2.066 22.782 1.00 50.00 H new ATOM 452 N GLY A 31 -6.258 3.808 20.825 1.00 50.00 N ATOM 453 CA GLY A 31 -6.300 4.112 19.368 1.00 50.00 C ATOM 454 C GLY A 31 -5.135 3.409 18.668 1.00 50.00 C ATOM 455 O GLY A 31 -4.575 3.914 17.715 1.00 50.00 O ATOM 0 H GLY A 31 -6.951 3.133 21.148 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.247 3.780 18.943 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -6.239 5.188 19.208 1.00 50.00 H new ATOM 459 N LEU A 32 -4.767 2.246 19.133 1.00 50.00 N ATOM 460 CA LEU A 32 -3.638 1.511 18.494 1.00 50.00 C ATOM 461 C LEU A 32 -3.860 1.405 16.982 1.00 50.00 C ATOM 462 O LEU A 32 -4.830 1.910 16.451 1.00 50.00 O ATOM 463 CB LEU A 32 -3.656 0.123 19.136 1.00 50.00 C ATOM 464 CG LEU A 32 -3.046 0.200 20.536 1.00 50.00 C ATOM 465 CD1 LEU A 32 -3.250 -1.135 21.255 1.00 50.00 C ATOM 466 CD2 LEU A 32 -1.549 0.495 20.423 1.00 50.00 C ATOM 0 H LEU A 32 -5.199 1.773 19.927 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.683 2.016 18.639 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.679 -0.249 19.194 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -3.095 -0.581 18.521 1.00 50.00 H new ATOM 0 HG LEU A 32 -3.532 0.995 21.102 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -2.815 -1.081 22.253 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -4.316 -1.346 21.335 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -2.764 -1.930 20.690 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -1.113 0.550 21.420 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -1.063 -0.300 19.858 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -1.403 1.446 19.910 1.00 50.00 H new ATOM 478 N ASP A 33 -2.970 0.751 16.287 1.00 50.00 N ATOM 479 CA ASP A 33 -3.132 0.612 14.810 1.00 50.00 C ATOM 480 C ASP A 33 -4.336 -0.279 14.491 1.00 50.00 C ATOM 481 O ASP A 33 -4.791 -1.044 15.319 1.00 50.00 O ATOM 482 CB ASP A 33 -1.838 -0.042 14.327 1.00 50.00 C ATOM 483 CG ASP A 33 -0.771 1.033 14.111 1.00 50.00 C ATOM 484 OD1 ASP A 33 -1.065 2.190 14.361 1.00 50.00 O ATOM 485 OD2 ASP A 33 0.322 0.680 13.698 1.00 50.00 O ATOM 0 H ASP A 33 -2.138 0.307 16.676 1.00 50.00 H new ATOM 0 HA ASP A 33 -3.309 1.571 14.323 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -1.491 -0.771 15.059 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -2.017 -0.584 13.398 1.00 50.00 H new ATOM 490 N GLY A 34 -4.855 -0.186 13.297 1.00 50.00 N ATOM 491 CA GLY A 34 -6.029 -1.027 12.926 1.00 50.00 C ATOM 492 C GLY A 34 -5.565 -2.451 12.619 1.00 50.00 C ATOM 493 O GLY A 34 -6.247 -3.413 12.913 1.00 50.00 O ATOM 0 H GLY A 34 -4.517 0.436 12.562 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.753 -1.038 13.741 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.533 -0.603 12.057 1.00 50.00 H new ATOM 497 N GLU A 35 -4.410 -2.595 12.032 1.00 50.00 N ATOM 498 CA GLU A 35 -3.903 -3.960 11.707 1.00 50.00 C ATOM 499 C GLU A 35 -3.462 -4.678 12.985 1.00 50.00 C ATOM 500 O GLU A 35 -3.163 -5.856 12.976 1.00 50.00 O ATOM 501 CB GLU A 35 -2.709 -3.732 10.780 1.00 50.00 C ATOM 502 CG GLU A 35 -1.523 -3.203 11.590 1.00 50.00 C ATOM 503 CD GLU A 35 -0.592 -2.409 10.672 1.00 50.00 C ATOM 504 OE1 GLU A 35 -1.079 -1.864 9.696 1.00 50.00 O ATOM 505 OE2 GLU A 35 0.593 -2.361 10.961 1.00 50.00 O ATOM 0 H GLU A 35 -3.794 -1.828 11.763 1.00 50.00 H new ATOM 0 HA GLU A 35 -4.666 -4.583 11.240 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -2.437 -4.664 10.285 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -2.974 -3.021 9.998 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -1.878 -2.569 12.402 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -0.982 -4.032 12.046 1.00 50.00 H new ATOM 512 N ASP A 36 -3.421 -3.978 14.084 1.00 50.00 N ATOM 513 CA ASP A 36 -3.000 -4.620 15.362 1.00 50.00 C ATOM 514 C ASP A 36 -4.230 -5.021 16.181 1.00 50.00 C ATOM 515 O ASP A 36 -4.314 -6.119 16.697 1.00 50.00 O ATOM 516 CB ASP A 36 -2.196 -3.548 16.099 1.00 50.00 C ATOM 517 CG ASP A 36 -0.719 -3.659 15.709 1.00 50.00 C ATOM 518 OD1 ASP A 36 -0.290 -4.756 15.396 1.00 50.00 O ATOM 519 OD2 ASP A 36 -0.044 -2.643 15.734 1.00 50.00 O ATOM 0 H ASP A 36 -3.661 -2.989 14.153 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.417 -5.526 15.196 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.576 -2.557 15.849 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -2.309 -3.670 17.176 1.00 50.00 H new ATOM 524 N TYR A 37 -5.184 -4.139 16.307 1.00 12.50 N ATOM 525 CA TYR A 37 -6.406 -4.470 17.096 1.00 12.50 C ATOM 526 C TYR A 37 -7.665 -4.087 16.312 1.00 12.50 C ATOM 527 O TYR A 37 -7.731 -3.041 15.696 1.00 12.50 O ATOM 528 CB TYR A 37 -6.289 -3.636 18.373 1.00 12.50 C ATOM 529 CG TYR A 37 -7.635 -3.555 19.056 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.244 -4.718 19.544 1.00 50.00 C ATOM 531 CD2 TYR A 37 -8.272 -2.317 19.202 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.491 -4.642 20.177 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.519 -2.242 19.835 1.00 50.00 C ATOM 534 CZ TYR A 37 -10.128 -3.404 20.322 1.00 12.50 C ATOM 535 OH TYR A 37 -11.357 -3.329 20.947 1.00 50.00 O ATOM 0 H TYR A 37 -5.171 -3.204 15.898 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.483 -5.536 17.312 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.556 -4.083 19.045 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.932 -2.635 18.133 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.752 -5.673 19.432 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.802 -1.420 18.827 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.961 -5.539 20.553 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -10.011 -1.287 19.947 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.248 -3.505 21.905 1.00 50.00 H new ATOM 545 N GLY A 38 -8.665 -4.925 16.333 1.00 10.00 N ATOM 546 CA GLY A 38 -9.919 -4.608 15.593 1.00 10.00 C ATOM 547 C GLY A 38 -10.755 -5.880 15.440 1.00 10.00 C ATOM 548 O GLY A 38 -10.401 -6.931 15.936 1.00 10.00 O ATOM 0 H GLY A 38 -8.668 -5.815 16.831 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.488 -3.848 16.129 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.681 -4.196 14.612 1.00 10.00 H new ATOM 552 N THR A 39 -11.864 -5.795 14.756 1.00 10.00 N ATOM 553 CA THR A 39 -12.722 -7.001 14.572 1.00 10.00 C ATOM 554 C THR A 39 -12.289 -7.773 13.323 1.00 10.00 C ATOM 555 O THR A 39 -11.881 -7.195 12.335 1.00 10.00 O ATOM 556 CB THR A 39 -14.140 -6.459 14.400 1.00 50.00 C ATOM 557 OG1 THR A 39 -14.266 -5.233 15.109 1.00 50.00 O ATOM 558 CG2 THR A 39 -15.146 -7.472 14.947 1.00 50.00 C ATOM 0 H THR A 39 -12.213 -4.943 14.317 1.00 10.00 H new ATOM 0 HA THR A 39 -12.649 -7.690 15.414 1.00 10.00 H new ATOM 0 HB THR A 39 -14.338 -6.290 13.342 1.00 50.00 H new ATOM 0 HG1 THR A 39 -15.175 -4.883 14.998 1.00 50.00 H new ATOM 0 HG21 THR A 39 -16.157 -7.084 14.824 1.00 50.00 H new ATOM 0 HG22 THR A 39 -15.049 -8.411 14.403 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.950 -7.644 16.005 1.00 50.00 H new ATOM 566 N MET A 40 -12.376 -9.074 13.360 1.00 10.00 N ATOM 567 CA MET A 40 -11.970 -9.882 12.176 1.00 10.00 C ATOM 568 C MET A 40 -13.149 -10.718 11.671 1.00 10.00 C ATOM 569 O MET A 40 -13.307 -11.866 12.035 1.00 10.00 O ATOM 570 CB MET A 40 -10.851 -10.794 12.681 1.00 10.00 C ATOM 571 CG MET A 40 -9.686 -10.764 11.691 1.00 10.00 C ATOM 572 SD MET A 40 -8.604 -12.183 11.993 1.00 12.50 S ATOM 573 CE MET A 40 -9.520 -13.381 10.994 1.00 50.00 C ATOM 0 H MET A 40 -12.711 -9.612 14.159 1.00 10.00 H new ATOM 0 HA MET A 40 -11.645 -9.255 11.345 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.515 -10.466 13.665 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.221 -11.813 12.794 1.00 10.00 H new ATOM 0 HG2 MET A 40 -10.063 -10.791 10.668 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.125 -9.836 11.800 1.00 10.00 H new ATOM 0 HE1 MET A 40 -10.071 -14.056 11.649 1.00 50.00 H new ATOM 0 HE2 MET A 40 -10.219 -12.854 10.345 1.00 50.00 H new ATOM 0 HE3 MET A 40 -8.822 -13.956 10.385 1.00 50.00 H new ATOM 583 N GLU A 41 -13.977 -10.155 10.835 1.00 10.00 N ATOM 584 CA GLU A 41 -15.141 -10.926 10.308 1.00 10.00 C ATOM 585 C GLU A 41 -14.649 -12.120 9.487 1.00 10.00 C ATOM 586 O GLU A 41 -14.047 -11.960 8.442 1.00 10.00 O ATOM 587 CB GLU A 41 -15.901 -9.941 9.421 1.00 10.00 C ATOM 588 CG GLU A 41 -14.985 -9.465 8.290 1.00 10.00 C ATOM 589 CD GLU A 41 -15.418 -10.115 6.976 1.00 12.50 C ATOM 590 OE1 GLU A 41 -16.584 -10.454 6.860 1.00 12.50 O ATOM 591 OE2 GLU A 41 -14.576 -10.263 6.105 1.00 12.50 O ATOM 0 H GLU A 41 -13.899 -9.197 10.494 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.771 -11.323 11.104 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -16.790 -10.418 9.008 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -16.241 -9.090 10.011 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -15.030 -8.379 8.203 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -13.950 -9.724 8.513 1.00 10.00 H new ATOM 598 N VAL A 42 -14.894 -13.315 9.950 1.00 10.00 N ATOM 599 CA VAL A 42 -14.434 -14.515 9.193 1.00 10.00 C ATOM 600 C VAL A 42 -15.627 -15.384 8.788 1.00 10.00 C ATOM 601 O VAL A 42 -16.597 -15.502 9.511 1.00 10.00 O ATOM 602 CB VAL A 42 -13.529 -15.268 10.168 1.00 10.00 C ATOM 603 CG1 VAL A 42 -12.881 -16.454 9.450 1.00 10.00 C ATOM 604 CG2 VAL A 42 -12.439 -14.326 10.682 1.00 10.00 C ATOM 0 H VAL A 42 -15.392 -13.513 10.818 1.00 10.00 H new ATOM 0 HA VAL A 42 -13.916 -14.248 8.272 1.00 10.00 H new ATOM 0 HB VAL A 42 -14.122 -15.631 11.008 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -12.235 -16.991 10.145 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -13.657 -17.125 9.083 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -12.288 -16.091 8.610 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -11.793 -14.862 11.377 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -11.846 -13.963 9.842 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -12.900 -13.481 11.193 1.00 10.00 H new ATOM 614 N ALA A 43 -15.562 -15.996 7.637 1.00 10.00 N ATOM 615 CA ALA A 43 -16.690 -16.860 7.187 1.00 10.00 C ATOM 616 C ALA A 43 -16.607 -18.229 7.867 1.00 10.00 C ATOM 617 O ALA A 43 -15.535 -18.740 8.125 1.00 10.00 O ATOM 618 CB ALA A 43 -16.503 -17.000 5.677 1.00 50.00 C ATOM 0 H ALA A 43 -14.777 -15.935 6.989 1.00 10.00 H new ATOM 0 HA ALA A 43 -17.662 -16.437 7.439 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -17.297 -17.625 5.268 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -16.541 -16.015 5.213 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -15.537 -17.461 5.471 1.00 50.00 H new ATOM 624 N GLU A 44 -17.729 -18.827 8.160 1.00 10.00 N ATOM 625 CA GLU A 44 -17.710 -20.160 8.826 1.00 10.00 C ATOM 626 C GLU A 44 -16.850 -21.141 8.024 1.00 10.00 C ATOM 627 O GLU A 44 -17.117 -21.417 6.871 1.00 10.00 O ATOM 628 CB GLU A 44 -19.171 -20.616 8.839 1.00 10.00 C ATOM 629 CG GLU A 44 -20.026 -19.569 9.557 1.00 10.00 C ATOM 630 CD GLU A 44 -20.983 -20.271 10.522 1.00 25.00 C ATOM 631 OE1 GLU A 44 -20.505 -20.855 11.480 1.00 25.00 O ATOM 632 OE2 GLU A 44 -22.178 -20.213 10.286 1.00 25.00 O ATOM 0 H GLU A 44 -18.657 -18.451 7.967 1.00 10.00 H new ATOM 0 HA GLU A 44 -17.287 -20.114 9.829 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -19.529 -20.756 7.819 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.258 -21.579 9.342 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -19.388 -18.873 10.102 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -20.589 -18.983 8.831 1.00 10.00 H new ATOM 639 N GLY A 45 -15.818 -21.668 8.625 1.00 10.00 N ATOM 640 CA GLY A 45 -14.942 -22.629 7.897 1.00 10.00 C ATOM 641 C GLY A 45 -13.929 -21.858 7.051 1.00 10.00 C ATOM 642 O GLY A 45 -13.257 -22.416 6.206 1.00 10.00 O ATOM 0 H GLY A 45 -15.544 -21.475 9.588 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -14.423 -23.273 8.607 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -15.545 -23.276 7.260 1.00 10.00 H new ATOM 646 N GLU A 46 -13.811 -20.577 7.269 1.00 10.00 N ATOM 647 CA GLU A 46 -12.840 -19.771 6.474 1.00 10.00 C ATOM 648 C GLU A 46 -11.530 -19.604 7.251 1.00 10.00 C ATOM 649 O GLU A 46 -11.519 -19.151 8.379 1.00 10.00 O ATOM 650 CB GLU A 46 -13.522 -18.419 6.268 1.00 10.00 C ATOM 651 CG GLU A 46 -12.989 -17.766 4.991 1.00 10.00 C ATOM 652 CD GLU A 46 -13.413 -18.597 3.779 1.00 10.00 C ATOM 653 OE1 GLU A 46 -14.449 -19.236 3.857 1.00 10.00 O ATOM 654 OE2 GLU A 46 -12.695 -18.579 2.792 1.00 10.00 O ATOM 0 H GLU A 46 -14.344 -20.053 7.963 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.586 -20.246 5.526 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.602 -18.552 6.198 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -13.336 -17.772 7.125 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -13.374 -16.750 4.901 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -11.902 -17.693 5.033 1.00 10.00 H new ATOM 661 N TYR A 47 -10.427 -19.969 6.656 1.00 10.00 N ATOM 662 CA TYR A 47 -9.117 -19.835 7.358 1.00 10.00 C ATOM 663 C TYR A 47 -8.957 -18.423 7.929 1.00 10.00 C ATOM 664 O TYR A 47 -9.079 -17.439 7.226 1.00 10.00 O ATOM 665 CB TYR A 47 -8.066 -20.095 6.281 1.00 10.00 C ATOM 666 CG TYR A 47 -8.334 -21.431 5.630 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.595 -22.556 6.422 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.320 -21.545 4.235 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.844 -23.794 5.818 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.568 -22.783 3.631 1.00 10.00 C ATOM 671 CZ TYR A 47 -8.830 -23.908 4.423 1.00 10.00 C ATOM 672 OH TYR A 47 -9.075 -25.128 3.828 1.00 10.00 O ATOM 0 H TYR A 47 -10.376 -20.355 5.713 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.028 -20.526 8.196 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.092 -19.302 5.533 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.069 -20.086 6.721 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.604 -22.469 7.498 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -8.118 -20.677 3.624 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -9.047 -24.661 6.429 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.557 -22.871 2.555 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.029 -25.032 2.854 1.00 10.00 H new ATOM 682 N ILE A 48 -8.680 -18.318 9.201 1.00 10.00 N ATOM 683 CA ILE A 48 -8.508 -16.971 9.820 1.00 10.00 C ATOM 684 C ILE A 48 -7.539 -16.126 8.988 1.00 10.00 C ATOM 685 O ILE A 48 -7.841 -15.014 8.604 1.00 10.00 O ATOM 686 CB ILE A 48 -7.923 -17.247 11.205 1.00 10.00 C ATOM 687 CG1 ILE A 48 -8.960 -17.970 12.065 1.00 10.00 C ATOM 688 CG2 ILE A 48 -7.543 -15.922 11.869 1.00 10.00 C ATOM 689 CD1 ILE A 48 -8.371 -18.241 13.451 1.00 10.00 C ATOM 0 H ILE A 48 -8.565 -19.106 9.838 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.446 -16.418 9.874 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.036 -17.873 11.106 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -9.862 -17.364 12.153 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.251 -18.908 11.592 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -7.126 -16.117 12.857 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.802 -15.408 11.257 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -8.430 -15.296 11.967 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.109 -18.756 14.066 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -7.482 -18.864 13.353 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -8.102 -17.296 13.923 1.00 10.00 H new ATOM 701 N LEU A 49 -6.374 -16.645 8.713 1.00 10.00 N ATOM 702 CA LEU A 49 -5.381 -15.875 7.910 1.00 10.00 C ATOM 703 C LEU A 49 -6.033 -15.318 6.643 1.00 10.00 C ATOM 704 O LEU A 49 -5.811 -14.186 6.267 1.00 10.00 O ATOM 705 CB LEU A 49 -4.293 -16.889 7.553 1.00 10.00 C ATOM 706 CG LEU A 49 -3.310 -16.260 6.562 1.00 10.00 C ATOM 707 CD1 LEU A 49 -2.808 -14.926 7.119 1.00 10.00 C ATOM 708 CD2 LEU A 49 -2.125 -17.204 6.354 1.00 10.00 C ATOM 0 H LEU A 49 -6.066 -17.571 9.010 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.982 -15.021 8.458 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.766 -17.204 8.453 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.742 -17.782 7.118 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.812 -16.090 5.609 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -2.108 -14.478 6.414 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -3.653 -14.254 7.269 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -2.305 -15.095 8.071 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -1.424 -16.758 5.649 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -1.623 -17.373 7.307 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -2.482 -18.155 5.958 1.00 10.00 H new ATOM 720 N GLU A 50 -6.835 -16.105 5.979 1.00 10.00 N ATOM 721 CA GLU A 50 -7.495 -15.614 4.735 1.00 10.00 C ATOM 722 C GLU A 50 -8.600 -14.613 5.081 1.00 10.00 C ATOM 723 O GLU A 50 -8.758 -13.599 4.429 1.00 10.00 O ATOM 724 CB GLU A 50 -8.086 -16.861 4.078 1.00 10.00 C ATOM 725 CG GLU A 50 -7.991 -16.727 2.556 1.00 10.00 C ATOM 726 CD GLU A 50 -9.143 -17.493 1.902 1.00 50.00 C ATOM 727 OE1 GLU A 50 -9.248 -18.684 2.142 1.00 50.00 O ATOM 728 OE2 GLU A 50 -9.900 -16.875 1.172 1.00 50.00 O ATOM 0 H GLU A 50 -7.062 -17.064 6.243 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.797 -15.099 4.075 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -7.549 -17.750 4.410 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -9.126 -16.986 4.379 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -8.031 -15.676 2.270 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -7.036 -17.117 2.205 1.00 10.00 H new ATOM 735 N ALA A 51 -9.364 -14.887 6.101 1.00 10.00 N ATOM 736 CA ALA A 51 -10.456 -13.947 6.484 1.00 10.00 C ATOM 737 C ALA A 51 -9.881 -12.555 6.741 1.00 10.00 C ATOM 738 O ALA A 51 -10.369 -11.565 6.233 1.00 10.00 O ATOM 739 CB ALA A 51 -11.054 -14.529 7.766 1.00 12.50 C ATOM 0 H ALA A 51 -9.281 -15.719 6.685 1.00 10.00 H new ATOM 0 HA ALA A 51 -11.207 -13.843 5.700 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.867 -13.890 8.111 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.438 -15.529 7.567 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.284 -14.583 8.535 1.00 12.50 H new ATOM 745 N ALA A 52 -8.846 -12.476 7.523 1.00 10.00 N ATOM 746 CA ALA A 52 -8.231 -11.149 7.816 1.00 10.00 C ATOM 747 C ALA A 52 -7.328 -10.719 6.658 1.00 10.00 C ATOM 748 O ALA A 52 -7.207 -9.549 6.354 1.00 10.00 O ATOM 749 CB ALA A 52 -7.409 -11.357 9.088 1.00 10.00 C ATOM 0 H ALA A 52 -8.396 -13.272 7.975 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.981 -10.368 7.943 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.925 -10.421 9.366 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.065 -11.680 9.896 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.650 -12.119 8.910 1.00 10.00 H new ATOM 755 N GLU A 53 -6.699 -11.657 6.009 1.00 10.00 N ATOM 756 CA GLU A 53 -5.806 -11.302 4.868 1.00 10.00 C ATOM 757 C GLU A 53 -6.569 -10.437 3.865 1.00 10.00 C ATOM 758 O GLU A 53 -6.006 -9.582 3.210 1.00 10.00 O ATOM 759 CB GLU A 53 -5.412 -12.638 4.238 1.00 10.00 C ATOM 760 CG GLU A 53 -4.828 -12.394 2.845 1.00 10.00 C ATOM 761 CD GLU A 53 -5.745 -13.017 1.790 1.00 10.00 C ATOM 762 OE1 GLU A 53 -6.165 -14.145 1.991 1.00 10.00 O ATOM 763 OE2 GLU A 53 -6.011 -12.355 0.800 1.00 10.00 O ATOM 0 H GLU A 53 -6.763 -12.653 6.217 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.931 -10.733 5.184 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.681 -13.147 4.866 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -6.282 -13.291 4.170 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -4.724 -11.324 2.665 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -3.830 -12.827 2.776 1.00 10.00 H new ATOM 770 N ALA A 54 -7.849 -10.650 3.748 1.00 10.00 N ATOM 771 CA ALA A 54 -8.657 -9.839 2.794 1.00 10.00 C ATOM 772 C ALA A 54 -8.862 -8.427 3.350 1.00 10.00 C ATOM 773 O ALA A 54 -9.344 -7.544 2.669 1.00 10.00 O ATOM 774 CB ALA A 54 -9.996 -10.570 2.689 1.00 50.00 C ATOM 0 H ALA A 54 -8.372 -11.351 4.272 1.00 10.00 H new ATOM 0 HA ALA A 54 -8.172 -9.735 1.824 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.650 -10.034 2.002 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -9.830 -11.581 2.317 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.463 -10.617 3.673 1.00 50.00 H new ATOM 780 N GLN A 55 -8.501 -8.209 4.586 1.00 10.00 N ATOM 781 CA GLN A 55 -8.674 -6.856 5.188 1.00 10.00 C ATOM 782 C GLN A 55 -7.322 -6.145 5.290 1.00 10.00 C ATOM 783 O GLN A 55 -7.251 -4.959 5.543 1.00 10.00 O ATOM 784 CB GLN A 55 -9.251 -7.114 6.581 1.00 10.00 C ATOM 785 CG GLN A 55 -10.761 -7.334 6.475 1.00 10.00 C ATOM 786 CD GLN A 55 -11.484 -5.995 6.633 1.00 10.00 C ATOM 787 OE1 GLN A 55 -11.935 -5.415 5.665 1.00 10.00 O ATOM 788 NE2 GLN A 55 -11.615 -5.475 7.823 1.00 10.00 N ATOM 0 H GLN A 55 -8.094 -8.910 5.205 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.323 -6.217 4.589 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.776 -7.988 7.027 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.041 -6.268 7.236 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -11.007 -7.781 5.512 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -11.093 -8.031 7.244 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -11.237 -5.961 8.636 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -12.095 -4.583 7.940 1.00 10.00 H new ATOM 797 N GLY A 56 -6.248 -6.861 5.094 1.00 10.00 N ATOM 798 CA GLY A 56 -4.903 -6.226 5.179 1.00 10.00 C ATOM 799 C GLY A 56 -4.193 -6.704 6.447 1.00 10.00 C ATOM 800 O GLY A 56 -3.242 -6.100 6.903 1.00 10.00 O ATOM 0 H GLY A 56 -6.244 -7.858 4.879 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.312 -6.482 4.300 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.002 -5.141 5.192 1.00 10.00 H new ATOM 804 N TYR A 57 -4.646 -7.785 7.021 1.00 10.00 N ATOM 805 CA TYR A 57 -3.995 -8.300 8.259 1.00 10.00 C ATOM 806 C TYR A 57 -2.875 -9.280 7.899 1.00 10.00 C ATOM 807 O TYR A 57 -3.087 -10.247 7.195 1.00 10.00 O ATOM 808 CB TYR A 57 -5.107 -9.018 9.022 1.00 10.00 C ATOM 809 CG TYR A 57 -6.128 -8.013 9.493 1.00 10.00 C ATOM 810 CD1 TYR A 57 -5.741 -6.956 10.325 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.465 -8.141 9.102 1.00 10.00 C ATOM 812 CE1 TYR A 57 -6.691 -6.026 10.763 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.414 -7.213 9.539 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.028 -6.155 10.370 1.00 12.50 C ATOM 815 OH TYR A 57 -8.966 -5.239 10.801 1.00 12.50 O ATOM 0 H TYR A 57 -5.438 -8.334 6.686 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.543 -7.503 8.849 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.582 -9.760 8.380 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.690 -9.554 9.874 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -4.709 -6.858 10.629 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.764 -8.958 8.462 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.392 -5.209 11.404 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.446 -7.312 9.235 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.000 -5.242 11.780 1.00 12.50 H new ATOM 825 N ASP A 58 -1.686 -9.038 8.378 1.00 10.00 N ATOM 826 CA ASP A 58 -0.554 -9.957 8.062 1.00 10.00 C ATOM 827 C ASP A 58 -0.344 -10.947 9.212 1.00 10.00 C ATOM 828 O ASP A 58 -0.423 -10.591 10.370 1.00 10.00 O ATOM 829 CB ASP A 58 0.664 -9.047 7.910 1.00 10.00 C ATOM 830 CG ASP A 58 0.872 -8.713 6.431 1.00 10.00 C ATOM 831 OD1 ASP A 58 -0.109 -8.425 5.766 1.00 10.00 O ATOM 832 OD2 ASP A 58 2.008 -8.754 5.989 1.00 10.00 O ATOM 0 H ASP A 58 -1.448 -8.245 8.974 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.737 -10.546 7.163 1.00 10.00 H new ATOM 0 HB2 ASP A 58 0.521 -8.131 8.484 1.00 10.00 H new ATOM 0 HB3 ASP A 58 1.550 -9.539 8.311 1.00 10.00 H new ATOM 837 N TRP A 59 -0.073 -12.183 8.902 1.00 10.00 N ATOM 838 CA TRP A 59 0.145 -13.190 9.980 1.00 10.00 C ATOM 839 C TRP A 59 1.436 -13.967 9.721 1.00 10.00 C ATOM 840 O TRP A 59 1.822 -14.168 8.588 1.00 10.00 O ATOM 841 CB TRP A 59 -1.061 -14.126 9.905 1.00 10.00 C ATOM 842 CG TRP A 59 -2.319 -13.328 9.993 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.752 -12.462 9.051 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.311 -13.305 11.060 1.00 10.00 C ATOM 845 NE1 TRP A 59 -3.948 -11.910 9.470 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.334 -12.397 10.702 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.422 -13.978 12.290 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.429 -12.162 11.533 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.524 -13.744 13.131 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.525 -12.838 12.752 1.00 50.00 C ATOM 0 H TRP A 59 0.007 -12.541 7.950 1.00 10.00 H new ATOM 0 HA TRP A 59 0.240 -12.726 10.962 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.040 -14.689 8.972 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.022 -14.853 10.717 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.247 -12.238 8.123 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.481 -11.225 8.933 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.657 -14.678 12.590 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.197 -11.463 11.237 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.600 -14.265 14.074 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.370 -12.663 13.402 1.00 50.00 H new ATOM 861 N PRO A 60 2.055 -14.389 10.788 1.00 10.00 N ATOM 862 CA PRO A 60 3.311 -15.165 10.675 1.00 10.00 C ATOM 863 C PRO A 60 3.007 -16.574 10.162 1.00 10.00 C ATOM 864 O PRO A 60 2.103 -17.234 10.633 1.00 10.00 O ATOM 865 CB PRO A 60 3.840 -15.202 12.105 1.00 10.00 C ATOM 866 CG PRO A 60 2.634 -15.013 12.971 1.00 10.00 C ATOM 867 CD PRO A 60 1.651 -14.185 12.183 1.00 10.00 C ATOM 0 HA PRO A 60 4.030 -14.733 9.979 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.334 -16.150 12.318 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.574 -14.415 12.274 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.199 -15.975 13.241 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.902 -14.512 13.901 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.626 -14.513 12.354 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.700 -13.133 12.463 1.00 10.00 H new ATOM 875 N PHE A 61 3.751 -17.039 9.199 1.00 10.00 N ATOM 876 CA PHE A 61 3.496 -18.404 8.656 1.00 10.00 C ATOM 877 C PHE A 61 4.743 -18.932 7.948 1.00 10.00 C ATOM 878 O PHE A 61 5.547 -18.179 7.436 1.00 10.00 O ATOM 879 CB PHE A 61 2.352 -18.227 7.657 1.00 10.00 C ATOM 880 CG PHE A 61 2.752 -17.215 6.610 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.755 -17.523 5.682 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.123 -15.966 6.570 1.00 10.00 C ATOM 883 CE1 PHE A 61 4.126 -16.582 4.714 1.00 10.00 C ATOM 884 CE2 PHE A 61 2.494 -15.025 5.603 1.00 10.00 C ATOM 885 CZ PHE A 61 3.496 -15.333 4.675 1.00 10.00 C ATOM 0 H PHE A 61 4.524 -16.535 8.764 1.00 10.00 H new ATOM 0 HA PHE A 61 3.247 -19.119 9.440 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.116 -19.181 7.185 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.451 -17.895 8.174 1.00 10.00 H new ATOM 0 HD1 PHE A 61 4.242 -18.486 5.713 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.350 -15.728 7.286 1.00 10.00 H new ATOM 0 HE1 PHE A 61 4.898 -16.820 3.997 1.00 10.00 H new ATOM 0 HE2 PHE A 61 2.007 -14.061 5.573 1.00 10.00 H new ATOM 0 HZ PHE A 61 3.783 -14.607 3.929 1.00 10.00 H new ATOM 895 N SER A 62 4.908 -20.224 7.916 1.00 10.00 N ATOM 896 CA SER A 62 6.101 -20.808 7.243 1.00 10.00 C ATOM 897 C SER A 62 5.727 -22.122 6.557 1.00 10.00 C ATOM 898 O SER A 62 5.899 -22.287 5.365 1.00 10.00 O ATOM 899 CB SER A 62 7.116 -21.057 8.363 1.00 10.00 C ATOM 900 OG SER A 62 6.499 -20.846 9.624 1.00 10.00 O ATOM 0 H SER A 62 4.267 -20.902 8.328 1.00 10.00 H new ATOM 0 HA SER A 62 6.502 -20.148 6.474 1.00 10.00 H new ATOM 0 HB2 SER A 62 7.498 -22.076 8.300 1.00 10.00 H new ATOM 0 HB3 SER A 62 7.969 -20.389 8.249 1.00 10.00 H new ATOM 0 HG SER A 62 6.364 -19.886 9.765 1.00 10.00 H new ATOM 906 N CYS A 63 5.233 -23.066 7.309 1.00 10.00 N ATOM 907 CA CYS A 63 4.864 -24.381 6.716 1.00 10.00 C ATOM 908 C CYS A 63 3.520 -24.294 5.958 1.00 10.00 C ATOM 909 O CYS A 63 3.374 -24.840 4.884 1.00 10.00 O ATOM 910 CB CYS A 63 4.815 -25.332 7.924 1.00 10.00 C ATOM 911 SG CYS A 63 3.166 -25.361 8.667 1.00 10.00 S ATOM 0 H CYS A 63 5.069 -22.983 8.312 1.00 10.00 H new ATOM 0 HA CYS A 63 5.573 -24.729 5.965 1.00 10.00 H new ATOM 0 HB2 CYS A 63 5.093 -26.338 7.610 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.547 -25.017 8.668 1.00 10.00 H new ATOM 0 HG CYS A 63 3.199 -24.763 9.821 1.00 10.00 H new ATOM 916 N ARG A 64 2.550 -23.593 6.494 1.00 10.00 N ATOM 917 CA ARG A 64 1.229 -23.450 5.788 1.00 10.00 C ATOM 918 C ARG A 64 0.520 -24.803 5.612 1.00 10.00 C ATOM 919 O ARG A 64 -0.238 -24.998 4.682 1.00 10.00 O ATOM 920 CB ARG A 64 1.573 -22.860 4.419 1.00 10.00 C ATOM 921 CG ARG A 64 2.512 -21.664 4.594 1.00 10.00 C ATOM 922 CD ARG A 64 2.381 -20.735 3.386 1.00 10.00 C ATOM 923 NE ARG A 64 1.262 -19.814 3.735 1.00 10.00 N ATOM 924 CZ ARG A 64 1.125 -18.682 3.097 1.00 10.00 C ATOM 925 NH1 ARG A 64 2.153 -17.897 2.929 1.00 10.00 N ATOM 926 NH2 ARG A 64 -0.043 -18.336 2.631 1.00 10.00 N ATOM 0 H ARG A 64 2.612 -23.112 7.391 1.00 10.00 H new ATOM 0 HA ARG A 64 0.547 -22.823 6.362 1.00 10.00 H new ATOM 0 HB2 ARG A 64 2.046 -23.618 3.794 1.00 10.00 H new ATOM 0 HB3 ARG A 64 0.662 -22.548 3.907 1.00 10.00 H new ATOM 0 HG2 ARG A 64 2.266 -21.125 5.509 1.00 10.00 H new ATOM 0 HG3 ARG A 64 3.542 -22.007 4.693 1.00 10.00 H new ATOM 0 HD2 ARG A 64 3.305 -20.185 3.208 1.00 10.00 H new ATOM 0 HD3 ARG A 64 2.163 -21.296 2.477 1.00 10.00 H new ATOM 0 HE ARG A 64 0.604 -20.067 4.472 1.00 10.00 H new ATOM 0 HH11 ARG A 64 3.066 -18.166 3.296 1.00 10.00 H new ATOM 0 HH12 ARG A 64 2.044 -17.014 2.431 1.00 10.00 H new ATOM 0 HH21 ARG A 64 -0.847 -18.949 2.765 1.00 10.00 H new ATOM 0 HH22 ARG A 64 -0.152 -17.453 2.133 1.00 10.00 H new ATOM 940 N ALA A 65 0.749 -25.728 6.495 1.00 10.00 N ATOM 941 CA ALA A 65 0.087 -27.058 6.392 1.00 10.00 C ATOM 942 C ALA A 65 -0.370 -27.535 7.779 1.00 10.00 C ATOM 943 O ALA A 65 -0.892 -28.623 7.926 1.00 10.00 O ATOM 944 CB ALA A 65 1.161 -27.992 5.834 1.00 10.00 C ATOM 0 H ALA A 65 1.374 -25.621 7.294 1.00 10.00 H new ATOM 0 HA ALA A 65 -0.800 -27.028 5.759 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.751 -28.996 5.728 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.488 -27.629 4.860 1.00 10.00 H new ATOM 0 HB3 ALA A 65 2.011 -28.018 6.516 1.00 10.00 H new ATOM 950 N GLY A 66 -0.178 -26.734 8.795 1.00 10.00 N ATOM 951 CA GLY A 66 -0.601 -27.151 10.165 1.00 10.00 C ATOM 952 C GLY A 66 0.443 -28.099 10.766 1.00 10.00 C ATOM 953 O GLY A 66 0.108 -29.057 11.434 1.00 10.00 O ATOM 0 H GLY A 66 0.252 -25.811 8.736 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.718 -26.274 10.802 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.572 -27.645 10.121 1.00 10.00 H new ATOM 957 N ALA A 67 1.704 -27.849 10.527 1.00 10.00 N ATOM 958 CA ALA A 67 2.759 -28.749 11.081 1.00 10.00 C ATOM 959 C ALA A 67 3.810 -27.958 11.874 1.00 10.00 C ATOM 960 O ALA A 67 4.800 -28.505 12.315 1.00 10.00 O ATOM 961 CB ALA A 67 3.399 -29.401 9.856 1.00 10.00 C ATOM 0 H ALA A 67 2.048 -27.064 9.974 1.00 10.00 H new ATOM 0 HA ALA A 67 2.340 -29.479 11.774 1.00 10.00 H new ATOM 0 HB1 ALA A 67 4.188 -30.081 10.176 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.642 -29.958 9.303 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.823 -28.630 9.213 1.00 10.00 H new ATOM 967 N CYS A 68 3.608 -26.682 12.068 1.00 10.00 N ATOM 968 CA CYS A 68 4.609 -25.889 12.842 1.00 10.00 C ATOM 969 C CYS A 68 3.898 -24.872 13.747 1.00 10.00 C ATOM 970 O CYS A 68 2.688 -24.861 13.846 1.00 10.00 O ATOM 971 CB CYS A 68 5.496 -25.211 11.780 1.00 10.00 C ATOM 972 SG CYS A 68 4.841 -23.585 11.313 1.00 10.00 S ATOM 0 H CYS A 68 2.802 -26.158 11.728 1.00 10.00 H new ATOM 0 HA CYS A 68 5.211 -26.506 13.509 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.509 -25.100 12.167 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.560 -25.847 10.897 1.00 10.00 H new ATOM 0 HG CYS A 68 5.616 -23.046 10.419 1.00 10.00 H new ATOM 977 N ALA A 69 4.637 -24.030 14.421 1.00 10.00 N ATOM 978 CA ALA A 69 3.986 -23.037 15.327 1.00 10.00 C ATOM 979 C ALA A 69 4.421 -21.606 14.988 1.00 10.00 C ATOM 980 O ALA A 69 4.162 -20.681 15.733 1.00 10.00 O ATOM 981 CB ALA A 69 4.456 -23.422 16.728 1.00 25.00 C ATOM 0 H ALA A 69 5.655 -23.986 14.384 1.00 10.00 H new ATOM 0 HA ALA A 69 2.900 -23.054 15.232 1.00 10.00 H new ATOM 0 HB1 ALA A 69 4.022 -22.739 17.458 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.139 -24.441 16.951 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.543 -23.361 16.777 1.00 25.00 H new ATOM 987 N ASN A 70 5.074 -21.411 13.876 1.00 10.00 N ATOM 988 CA ASN A 70 5.514 -20.033 13.503 1.00 10.00 C ATOM 989 C ASN A 70 4.303 -19.097 13.438 1.00 10.00 C ATOM 990 O ASN A 70 4.385 -17.934 13.778 1.00 10.00 O ATOM 991 CB ASN A 70 6.150 -20.180 12.120 1.00 50.00 C ATOM 992 CG ASN A 70 7.586 -20.685 12.268 1.00 50.00 C ATOM 993 OD1 ASN A 70 7.884 -21.812 11.921 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.494 -19.897 12.771 1.00 50.00 N ATOM 0 H ASN A 70 5.322 -22.142 13.210 1.00 10.00 H new ATOM 0 HA ASN A 70 6.210 -19.609 14.228 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.570 -20.875 11.514 1.00 50.00 H new ATOM 0 HB3 ASN A 70 6.142 -19.221 11.601 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.454 -20.225 12.874 1.00 50.00 H new ATOM 0 HD22 ASN A 70 8.244 -18.952 13.062 1.00 50.00 H new ATOM 1001 N CYS A 71 3.179 -19.603 13.010 1.00 10.00 N ATOM 1002 CA CYS A 71 1.955 -18.754 12.928 1.00 10.00 C ATOM 1003 C CYS A 71 1.199 -18.806 14.262 1.00 10.00 C ATOM 1004 O CYS A 71 0.057 -18.404 14.361 1.00 10.00 O ATOM 1005 CB CYS A 71 1.121 -19.377 11.806 1.00 10.00 C ATOM 1006 SG CYS A 71 0.481 -20.978 12.354 1.00 10.00 S ATOM 0 H CYS A 71 3.054 -20.571 12.712 1.00 10.00 H new ATOM 0 HA CYS A 71 2.180 -17.706 12.729 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.297 -18.715 11.539 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.731 -19.503 10.911 1.00 10.00 H new ATOM 0 HG CYS A 71 -0.120 -21.567 11.363 1.00 10.00 H new ATOM 1011 N ALA A 72 1.835 -19.317 15.281 1.00 10.00 N ATOM 1012 CA ALA A 72 1.181 -19.426 16.619 1.00 10.00 C ATOM 1013 C ALA A 72 0.390 -18.160 16.971 1.00 10.00 C ATOM 1014 O ALA A 72 0.635 -17.088 16.452 1.00 10.00 O ATOM 1015 CB ALA A 72 2.337 -19.619 17.601 1.00 10.00 C ATOM 0 H ALA A 72 2.792 -19.668 15.244 1.00 10.00 H new ATOM 0 HA ALA A 72 0.462 -20.245 16.645 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.943 -19.708 18.613 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.886 -20.525 17.344 1.00 10.00 H new ATOM 0 HB3 ALA A 72 3.007 -18.761 17.547 1.00 10.00 H new ATOM 1021 N SER A 73 -0.556 -18.289 17.866 1.00 10.00 N ATOM 1022 CA SER A 73 -1.379 -17.118 18.288 1.00 10.00 C ATOM 1023 C SER A 73 -1.897 -17.343 19.712 1.00 10.00 C ATOM 1024 O SER A 73 -1.450 -18.232 20.408 1.00 10.00 O ATOM 1025 CB SER A 73 -2.540 -17.068 17.296 1.00 50.00 C ATOM 1026 OG SER A 73 -2.190 -17.783 16.120 1.00 50.00 O ATOM 0 H SER A 73 -0.795 -19.167 18.327 1.00 10.00 H new ATOM 0 HA SER A 73 -0.813 -16.187 18.291 1.00 10.00 H new ATOM 0 HB2 SER A 73 -3.434 -17.501 17.745 1.00 50.00 H new ATOM 0 HB3 SER A 73 -2.776 -16.033 17.048 1.00 50.00 H new ATOM 0 HG SER A 73 -2.368 -18.738 16.252 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.837 -16.552 20.151 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.380 -16.738 21.529 1.00 10.00 C ATOM 1034 C ILE A 74 -4.864 -16.368 21.560 1.00 10.00 C ATOM 1035 O ILE A 74 -5.227 -15.228 21.773 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.567 -15.794 22.415 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -1.150 -16.345 22.584 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.238 -15.682 23.786 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -1.205 -17.665 23.356 1.00 10.00 C ATOM 0 H ILE A 74 -3.252 -15.787 19.619 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.302 -17.771 21.868 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.519 -14.809 21.950 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.690 -16.501 21.608 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.529 -15.625 23.117 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.660 -15.009 24.420 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -4.248 -15.290 23.666 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.284 -16.667 24.250 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -0.196 -18.058 23.477 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -1.648 -17.494 24.337 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.811 -18.384 22.805 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.724 -17.324 21.340 1.00 10.00 N ATOM 1052 CA VAL A 75 -7.188 -17.030 21.349 1.00 10.00 C ATOM 1053 C VAL A 75 -7.608 -16.449 22.706 1.00 10.00 C ATOM 1054 O VAL A 75 -7.366 -17.032 23.742 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.862 -18.388 21.062 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -8.722 -18.850 22.246 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -8.752 -18.243 19.830 1.00 50.00 C ATOM 0 H VAL A 75 -5.478 -18.296 21.154 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.477 -16.283 20.609 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.083 -19.132 20.896 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -9.182 -19.810 22.009 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -8.095 -18.956 23.131 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -9.501 -18.113 22.440 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.235 -19.196 19.616 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.513 -17.485 20.018 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -8.145 -17.944 18.976 1.00 50.00 H new ATOM 1067 N LYS A 76 -8.242 -15.308 22.708 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.678 -14.707 23.997 1.00 10.00 C ATOM 1069 C LYS A 76 -10.157 -15.019 24.252 1.00 10.00 C ATOM 1070 O LYS A 76 -10.721 -14.621 25.252 1.00 10.00 O ATOM 1071 CB LYS A 76 -8.465 -13.202 23.829 1.00 25.00 C ATOM 1072 CG LYS A 76 -7.469 -12.709 24.882 1.00 25.00 C ATOM 1073 CD LYS A 76 -7.961 -13.106 26.275 1.00 50.00 C ATOM 1074 CE LYS A 76 -6.906 -13.978 26.959 1.00 50.00 C ATOM 1075 NZ LYS A 76 -7.652 -15.181 27.423 1.00 50.00 N ATOM 0 H LYS A 76 -8.476 -14.769 21.874 1.00 10.00 H new ATOM 0 HA LYS A 76 -8.120 -15.102 24.846 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -8.090 -12.986 22.829 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -9.413 -12.675 23.935 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -6.485 -13.139 24.696 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -7.361 -11.626 24.818 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -8.154 -12.215 26.872 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -8.903 -13.649 26.199 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -6.108 -14.249 26.268 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -6.440 -13.454 27.794 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -7.173 -15.589 28.251 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -8.622 -14.909 27.683 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -7.683 -15.886 26.659 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.787 -15.731 23.356 1.00 10.00 N ATOM 1090 CA GLU A 77 -12.229 -16.072 23.552 1.00 10.00 C ATOM 1091 C GLU A 77 -12.796 -16.734 22.293 1.00 10.00 C ATOM 1092 O GLU A 77 -12.333 -16.502 21.194 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.927 -14.736 23.810 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.691 -14.810 25.134 1.00 10.00 C ATOM 1095 CD GLU A 77 -15.089 -14.216 24.952 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -15.553 -14.178 23.824 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -15.671 -13.808 25.944 1.00 25.00 O ATOM 0 H GLU A 77 -10.368 -16.091 22.499 1.00 10.00 H new ATOM 0 HA GLU A 77 -12.374 -16.773 24.374 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -12.193 -13.931 23.845 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.613 -14.508 22.994 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -13.765 -15.846 25.466 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -13.151 -14.265 25.908 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.798 -17.557 22.447 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.397 -18.233 21.262 1.00 10.00 C ATOM 1106 C GLY A 78 -13.693 -19.570 21.025 1.00 10.00 C ATOM 1107 O GLY A 78 -12.696 -19.878 21.649 1.00 10.00 O ATOM 0 H GLY A 78 -14.227 -17.790 23.342 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.463 -18.395 21.423 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.301 -17.598 20.381 1.00 10.00 H new ATOM 1111 N GLU A 79 -14.203 -20.367 20.127 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.562 -21.684 19.849 1.00 10.00 C ATOM 1113 C GLU A 79 -13.168 -21.778 18.372 1.00 10.00 C ATOM 1114 O GLU A 79 -13.959 -21.508 17.490 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.629 -22.724 20.187 1.00 25.00 C ATOM 1116 CG GLU A 79 -14.037 -24.127 20.043 1.00 25.00 C ATOM 1117 CD GLU A 79 -14.962 -25.143 20.715 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -16.166 -24.967 20.628 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -14.451 -26.082 21.304 1.00 50.00 O ATOM 0 H GLU A 79 -15.035 -20.164 19.574 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.652 -21.832 20.431 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.990 -22.573 21.204 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.487 -22.610 19.524 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -13.913 -24.374 18.989 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -13.047 -24.164 20.498 1.00 25.00 H new ATOM 1126 N ILE A 80 -11.950 -22.158 18.096 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.506 -22.267 16.677 1.00 10.00 C ATOM 1128 C ILE A 80 -11.425 -23.737 16.256 1.00 10.00 C ATOM 1129 O ILE A 80 -10.850 -24.557 16.943 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.116 -21.628 16.648 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.224 -20.145 17.012 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.522 -21.767 15.245 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -8.843 -19.495 16.917 1.00 50.00 C ATOM 0 H ILE A 80 -11.243 -22.398 18.792 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.198 -21.778 15.991 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.471 -22.131 17.369 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -10.920 -19.644 16.339 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -10.621 -20.035 18.021 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.532 -21.312 15.222 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.442 -22.823 14.987 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.168 -21.265 14.525 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -8.919 -18.439 17.176 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.160 -19.990 17.607 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -8.464 -19.593 15.900 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.993 -24.074 15.131 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.943 -25.489 14.667 1.00 10.00 C ATOM 1147 C ASP A 81 -10.589 -25.780 14.014 1.00 10.00 C ATOM 1148 O ASP A 81 -10.096 -25.008 13.215 1.00 10.00 O ATOM 1149 CB ASP A 81 -13.072 -25.611 13.642 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.185 -27.064 13.179 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -12.544 -27.910 13.782 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -13.910 -27.309 12.228 1.00 10.00 O ATOM 0 H ASP A 81 -12.489 -23.431 14.514 1.00 10.00 H new ATOM 0 HA ASP A 81 -12.061 -26.198 15.486 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -14.014 -25.284 14.082 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.876 -24.961 12.790 1.00 10.00 H new ATOM 1157 N MET A 82 -9.982 -26.884 14.348 1.00 12.50 N ATOM 1158 CA MET A 82 -8.659 -27.219 13.748 1.00 12.50 C ATOM 1159 C MET A 82 -8.705 -28.607 13.102 1.00 12.50 C ATOM 1160 O MET A 82 -9.511 -29.442 13.459 1.00 12.50 O ATOM 1161 CB MET A 82 -7.679 -27.205 14.920 1.00 12.50 C ATOM 1162 CG MET A 82 -8.240 -28.057 16.061 1.00 12.50 C ATOM 1163 SD MET A 82 -6.880 -28.648 17.098 1.00 12.50 S ATOM 1164 CE MET A 82 -7.872 -29.093 18.545 1.00 50.00 C ATOM 0 H MET A 82 -10.344 -27.570 15.011 1.00 12.50 H new ATOM 0 HA MET A 82 -8.370 -26.516 12.966 1.00 12.50 H new ATOM 0 HB2 MET A 82 -6.711 -27.593 14.604 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.517 -26.182 15.261 1.00 12.50 H new ATOM 0 HG2 MET A 82 -8.938 -27.470 16.658 1.00 12.50 H new ATOM 0 HG3 MET A 82 -8.798 -28.902 15.658 1.00 12.50 H new ATOM 0 HE1 MET A 82 -7.221 -29.489 19.325 1.00 50.00 H new ATOM 0 HE2 MET A 82 -8.389 -28.209 18.918 1.00 50.00 H new ATOM 0 HE3 MET A 82 -8.604 -29.850 18.265 1.00 50.00 H new ATOM 1174 N ASP A 83 -7.844 -28.857 12.155 1.00 50.00 N ATOM 1175 CA ASP A 83 -7.837 -30.190 11.487 1.00 50.00 C ATOM 1176 C ASP A 83 -6.793 -31.101 12.139 1.00 50.00 C ATOM 1177 O ASP A 83 -6.251 -30.794 13.182 1.00 50.00 O ATOM 1178 CB ASP A 83 -7.464 -29.899 10.033 1.00 50.00 C ATOM 1179 CG ASP A 83 -6.167 -29.089 9.993 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -6.128 -28.038 10.612 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -5.234 -29.533 9.344 1.00 50.00 O ATOM 0 H ASP A 83 -7.145 -28.197 11.814 1.00 50.00 H new ATOM 0 HA ASP A 83 -8.797 -30.700 11.567 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -7.340 -30.833 9.484 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -8.266 -29.346 9.544 1.00 50.00 H new ATOM 1186 N MET A 84 -6.509 -32.220 11.532 1.00 50.00 N ATOM 1187 CA MET A 84 -5.502 -33.150 12.116 1.00 50.00 C ATOM 1188 C MET A 84 -4.151 -32.443 12.259 1.00 50.00 C ATOM 1189 O MET A 84 -3.735 -31.701 11.391 1.00 50.00 O ATOM 1190 CB MET A 84 -5.401 -34.301 11.115 1.00 50.00 C ATOM 1191 CG MET A 84 -5.633 -35.629 11.840 1.00 50.00 C ATOM 1192 SD MET A 84 -6.784 -36.646 10.882 1.00 50.00 S ATOM 1193 CE MET A 84 -6.418 -38.224 11.689 1.00 50.00 C ATOM 0 H MET A 84 -6.931 -32.531 10.657 1.00 50.00 H new ATOM 0 HA MET A 84 -5.786 -33.497 13.110 1.00 50.00 H new ATOM 0 HB2 MET A 84 -6.138 -34.173 10.322 1.00 50.00 H new ATOM 0 HB3 MET A 84 -4.420 -34.300 10.641 1.00 50.00 H new ATOM 0 HG2 MET A 84 -4.687 -36.155 11.969 1.00 50.00 H new ATOM 0 HG3 MET A 84 -6.035 -35.446 12.837 1.00 50.00 H new ATOM 0 HE1 MET A 84 -7.029 -39.010 11.245 1.00 50.00 H new ATOM 0 HE2 MET A 84 -5.363 -38.465 11.555 1.00 50.00 H new ATOM 0 HE3 MET A 84 -6.641 -38.149 12.753 1.00 50.00 H new ATOM 1203 N GLN A 85 -3.465 -32.664 13.347 1.00 16.66 N ATOM 1204 CA GLN A 85 -2.144 -32.000 13.539 1.00 16.66 C ATOM 1205 C GLN A 85 -1.503 -32.458 14.853 1.00 16.66 C ATOM 1206 O GLN A 85 -2.162 -32.581 15.866 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.459 -30.504 13.591 1.00 16.66 C ATOM 1208 CG GLN A 85 -3.120 -30.168 14.929 1.00 16.66 C ATOM 1209 CD GLN A 85 -3.752 -28.777 14.850 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -3.734 -28.147 13.811 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -4.314 -28.268 15.912 1.00 16.66 N ATOM 0 H GLN A 85 -3.761 -33.274 14.109 1.00 16.66 H new ATOM 0 HA GLN A 85 -1.441 -32.244 12.743 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -1.544 -29.924 13.470 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -3.120 -30.232 12.768 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -3.880 -30.912 15.168 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -2.381 -30.199 15.730 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -4.329 -28.797 16.784 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -4.738 -27.341 15.870 1.00 16.66 H new ATOM 1220 N GLN A 86 -0.222 -32.703 14.844 1.00 16.66 N ATOM 1221 CA GLN A 86 0.462 -33.144 16.093 1.00 16.66 C ATOM 1222 C GLN A 86 1.562 -32.146 16.466 1.00 16.66 C ATOM 1223 O GLN A 86 2.510 -32.477 17.150 1.00 16.66 O ATOM 1224 CB GLN A 86 1.068 -34.507 15.755 1.00 16.66 C ATOM 1225 CG GLN A 86 -0.054 -35.531 15.571 1.00 16.66 C ATOM 1226 CD GLN A 86 -0.767 -35.752 16.907 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -1.549 -34.926 17.334 1.00 50.00 O ATOM 1228 NE2 GLN A 86 -0.528 -36.839 17.589 1.00 50.00 N ATOM 0 H GLN A 86 0.381 -32.617 14.026 1.00 16.66 H new ATOM 0 HA GLN A 86 -0.220 -33.203 16.941 1.00 16.66 H new ATOM 0 HB2 GLN A 86 1.664 -34.437 14.845 1.00 16.66 H new ATOM 0 HB3 GLN A 86 1.740 -34.826 16.552 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -0.763 -35.179 14.822 1.00 16.66 H new ATOM 0 HG3 GLN A 86 0.355 -36.473 15.205 1.00 16.66 H new ATOM 0 HE21 GLN A 86 0.129 -37.532 17.230 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -0.998 -36.995 18.481 1.00 50.00 H new ATOM 1237 N ILE A 87 1.440 -30.927 16.017 1.00 12.50 N ATOM 1238 CA ILE A 87 2.476 -29.905 16.338 1.00 12.50 C ATOM 1239 C ILE A 87 2.130 -29.189 17.646 1.00 12.50 C ATOM 1240 O ILE A 87 2.999 -28.803 18.403 1.00 12.50 O ATOM 1241 CB ILE A 87 2.441 -28.925 15.166 1.00 50.00 C ATOM 1242 CG1 ILE A 87 3.601 -27.935 15.290 1.00 50.00 C ATOM 1243 CG2 ILE A 87 1.115 -28.161 15.181 1.00 50.00 C ATOM 1244 CD1 ILE A 87 4.929 -28.685 15.169 1.00 50.00 C ATOM 0 H ILE A 87 0.667 -30.594 15.441 1.00 12.50 H new ATOM 0 HA ILE A 87 3.463 -30.348 16.472 1.00 12.50 H new ATOM 0 HB ILE A 87 2.534 -29.476 14.230 1.00 50.00 H new ATOM 0 HG12 ILE A 87 3.529 -27.175 14.512 1.00 50.00 H new ATOM 0 HG13 ILE A 87 3.550 -27.417 16.248 1.00 50.00 H new ATOM 0 HG21 ILE A 87 1.089 -27.461 14.345 1.00 50.00 H new ATOM 0 HG22 ILE A 87 0.288 -28.865 15.091 1.00 50.00 H new ATOM 0 HG23 ILE A 87 1.022 -27.611 16.118 1.00 50.00 H new ATOM 0 HD11 ILE A 87 5.755 -27.979 15.257 1.00 50.00 H new ATOM 0 HD12 ILE A 87 5.001 -29.429 15.963 1.00 50.00 H new ATOM 0 HD13 ILE A 87 4.979 -29.182 14.200 1.00 50.00 H new ATOM 1256 N LEU A 88 0.867 -29.004 17.919 1.00 12.50 N ATOM 1257 CA LEU A 88 0.471 -28.309 19.176 1.00 12.50 C ATOM 1258 C LEU A 88 -0.180 -29.296 20.147 1.00 12.50 C ATOM 1259 O LEU A 88 -0.495 -30.416 19.794 1.00 12.50 O ATOM 1260 CB LEU A 88 -0.534 -27.243 18.742 1.00 12.50 C ATOM 1261 CG LEU A 88 -0.062 -25.870 19.225 1.00 12.50 C ATOM 1262 CD1 LEU A 88 1.032 -25.349 18.292 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -1.242 -24.895 19.222 1.00 12.50 C ATOM 0 H LEU A 88 0.093 -29.304 17.326 1.00 12.50 H new ATOM 0 HA LEU A 88 1.327 -27.875 19.693 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -0.635 -27.244 17.657 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -1.518 -27.467 19.154 1.00 12.50 H new ATOM 0 HG LEU A 88 0.335 -25.958 20.236 1.00 12.50 H new ATOM 0 HD11 LEU A 88 1.368 -24.371 18.636 1.00 12.50 H new ATOM 0 HD12 LEU A 88 1.873 -26.043 18.294 1.00 12.50 H new ATOM 0 HD13 LEU A 88 0.636 -25.261 17.280 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -0.906 -23.917 19.566 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -1.639 -24.807 18.211 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -2.022 -25.266 19.887 1.00 12.50 H new ATOM 1275 N SER A 89 -0.386 -28.888 21.370 1.00 12.50 N ATOM 1276 CA SER A 89 -1.019 -29.798 22.367 1.00 12.50 C ATOM 1277 C SER A 89 -2.363 -29.224 22.822 1.00 12.50 C ATOM 1278 O SER A 89 -2.530 -28.026 22.937 1.00 12.50 O ATOM 1279 CB SER A 89 -0.033 -29.853 23.534 1.00 12.50 C ATOM 1280 OG SER A 89 -0.730 -29.660 24.756 1.00 12.50 O ATOM 0 H SER A 89 -0.143 -27.962 21.722 1.00 12.50 H new ATOM 0 HA SER A 89 -1.219 -30.788 21.958 1.00 12.50 H new ATOM 0 HB2 SER A 89 0.480 -30.814 23.544 1.00 12.50 H new ATOM 0 HB3 SER A 89 0.731 -29.085 23.414 1.00 12.50 H new ATOM 0 HG SER A 89 -0.097 -29.697 25.503 1.00 12.50 H new ATOM 1286 N ASP A 90 -3.324 -30.068 23.078 1.00 10.00 N ATOM 1287 CA ASP A 90 -4.658 -29.566 23.520 1.00 10.00 C ATOM 1288 C ASP A 90 -4.507 -28.652 24.736 1.00 10.00 C ATOM 1289 O ASP A 90 -5.210 -27.671 24.878 1.00 10.00 O ATOM 1290 CB ASP A 90 -5.454 -30.821 23.883 1.00 10.00 C ATOM 1291 CG ASP A 90 -4.826 -31.489 25.108 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -3.612 -31.454 25.220 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -5.570 -32.026 25.912 1.00 10.00 O ATOM 0 H ASP A 90 -3.245 -31.082 23.001 1.00 10.00 H new ATOM 0 HA ASP A 90 -5.154 -28.979 22.747 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -6.491 -30.559 24.091 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -5.463 -31.515 23.042 1.00 10.00 H new ATOM 1298 N GLU A 91 -3.595 -28.961 25.613 1.00 12.50 N ATOM 1299 CA GLU A 91 -3.401 -28.105 26.819 1.00 12.50 C ATOM 1300 C GLU A 91 -3.016 -26.685 26.398 1.00 12.50 C ATOM 1301 O GLU A 91 -3.433 -25.714 26.997 1.00 12.50 O ATOM 1302 CB GLU A 91 -2.261 -28.766 27.595 1.00 12.50 C ATOM 1303 CG GLU A 91 -2.832 -29.529 28.792 1.00 12.50 C ATOM 1304 CD GLU A 91 -2.473 -28.794 30.084 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -1.343 -28.929 30.524 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -3.332 -28.107 30.610 1.00 50.00 O ATOM 0 H GLU A 91 -2.975 -29.768 25.549 1.00 12.50 H new ATOM 0 HA GLU A 91 -4.306 -28.023 27.421 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -1.712 -29.447 26.945 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -1.553 -28.010 27.936 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -3.915 -29.615 28.699 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -2.432 -30.543 28.815 1.00 12.50 H new ATOM 1313 N GLU A 92 -2.226 -26.558 25.369 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.818 -25.201 24.905 1.00 10.00 C ATOM 1315 C GLU A 92 -3.008 -24.490 24.254 1.00 10.00 C ATOM 1316 O GLU A 92 -3.095 -23.277 24.251 1.00 10.00 O ATOM 1317 CB GLU A 92 -0.715 -25.450 23.877 1.00 50.00 C ATOM 1318 CG GLU A 92 0.646 -25.125 24.496 1.00 50.00 C ATOM 1319 CD GLU A 92 1.643 -24.796 23.383 1.00 50.00 C ATOM 1320 OE1 GLU A 92 1.254 -24.115 22.449 1.00 50.00 O ATOM 1321 OE2 GLU A 92 2.778 -25.232 23.484 1.00 50.00 O ATOM 0 H GLU A 92 -1.845 -27.334 24.829 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.476 -24.568 25.723 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -0.738 -26.489 23.549 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -0.881 -24.833 22.994 1.00 50.00 H new ATOM 0 HG2 GLU A 92 0.555 -24.281 25.180 1.00 50.00 H new ATOM 0 HG3 GLU A 92 1.004 -25.972 25.081 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.928 -25.237 23.706 1.00 10.00 N ATOM 1329 CA VAL A 93 -5.113 -24.607 23.055 1.00 10.00 C ATOM 1330 C VAL A 93 -6.083 -24.093 24.120 1.00 10.00 C ATOM 1331 O VAL A 93 -6.719 -23.070 23.954 1.00 10.00 O ATOM 1332 CB VAL A 93 -5.758 -25.727 22.239 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -7.120 -25.261 21.717 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -4.854 -26.083 21.056 1.00 10.00 C ATOM 0 H VAL A 93 -3.910 -26.257 23.681 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.841 -23.755 22.432 1.00 10.00 H new ATOM 0 HB VAL A 93 -5.892 -26.605 22.871 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -7.579 -26.060 21.135 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -7.765 -25.008 22.558 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.986 -24.383 21.085 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -5.314 -26.882 20.474 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -4.719 -25.205 20.424 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -3.884 -26.416 21.426 1.00 10.00 H new ATOM 1344 N GLU A 94 -6.204 -24.794 25.213 1.00 12.50 N ATOM 1345 CA GLU A 94 -7.135 -24.346 26.288 1.00 12.50 C ATOM 1346 C GLU A 94 -6.368 -23.589 27.376 1.00 12.50 C ATOM 1347 O GLU A 94 -6.905 -22.720 28.033 1.00 12.50 O ATOM 1348 CB GLU A 94 -7.732 -25.636 26.851 1.00 12.50 C ATOM 1349 CG GLU A 94 -8.852 -25.295 27.834 1.00 12.50 C ATOM 1350 CD GLU A 94 -9.788 -26.497 27.977 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -9.286 -27.595 28.152 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -10.990 -26.300 27.907 1.00 12.50 O ATOM 0 H GLU A 94 -5.699 -25.658 25.409 1.00 12.50 H new ATOM 0 HA GLU A 94 -7.902 -23.668 25.915 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -8.121 -26.253 26.041 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -6.959 -26.218 27.352 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -8.431 -25.031 28.804 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -9.409 -24.427 27.481 1.00 12.50 H new ATOM 1359 N GLU A 95 -5.120 -23.914 27.572 1.00 12.50 N ATOM 1360 CA GLU A 95 -4.323 -23.214 28.620 1.00 12.50 C ATOM 1361 C GLU A 95 -3.519 -22.064 28.006 1.00 12.50 C ATOM 1362 O GLU A 95 -3.392 -21.004 28.586 1.00 12.50 O ATOM 1363 CB GLU A 95 -3.385 -24.283 29.180 1.00 25.00 C ATOM 1364 CG GLU A 95 -2.990 -23.917 30.612 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.495 -23.593 30.662 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -0.924 -23.360 29.610 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -0.948 -23.582 31.752 1.00 50.00 O ATOM 0 H GLU A 95 -4.617 -24.634 27.052 1.00 12.50 H new ATOM 0 HA GLU A 95 -4.956 -22.776 29.392 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -3.875 -25.256 29.164 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -2.495 -24.364 28.556 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -3.570 -23.060 30.953 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -3.217 -24.743 31.286 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.972 -22.264 26.838 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.174 -21.180 26.197 1.00 25.00 C ATOM 1376 C LYS A 96 -2.998 -20.477 25.115 1.00 25.00 C ATOM 1377 O LYS A 96 -2.573 -19.494 24.541 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.967 -21.886 25.580 1.00 25.00 C ATOM 1379 CG LYS A 96 0.263 -20.985 25.695 1.00 25.00 C ATOM 1380 CD LYS A 96 1.478 -21.827 26.087 1.00 25.00 C ATOM 1381 CE LYS A 96 2.310 -21.071 27.124 1.00 25.00 C ATOM 1382 NZ LYS A 96 1.562 -21.228 28.403 1.00 25.00 N ATOM 0 H LYS A 96 -3.043 -23.128 26.301 1.00 25.00 H new ATOM 0 HA LYS A 96 -1.876 -20.413 26.912 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.787 -22.833 26.089 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -1.164 -22.119 24.534 1.00 25.00 H new ATOM 0 HG2 LYS A 96 0.448 -20.481 24.746 1.00 25.00 H new ATOM 0 HG3 LYS A 96 0.090 -20.209 26.440 1.00 25.00 H new ATOM 0 HD2 LYS A 96 1.154 -22.785 26.494 1.00 25.00 H new ATOM 0 HD3 LYS A 96 2.083 -22.043 25.207 1.00 25.00 H new ATOM 0 HE2 LYS A 96 3.316 -21.484 27.201 1.00 25.00 H new ATOM 0 HE3 LYS A 96 2.417 -20.020 26.855 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 1.382 -20.291 28.817 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 0.656 -21.705 28.219 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 2.125 -21.798 29.067 1.00 25.00 H new ATOM 1396 N ASP A 97 -4.171 -20.971 24.829 1.00 10.00 N ATOM 1397 CA ASP A 97 -5.015 -20.323 23.784 1.00 10.00 C ATOM 1398 C ASP A 97 -4.252 -20.254 22.463 1.00 10.00 C ATOM 1399 O ASP A 97 -4.511 -19.410 21.629 1.00 10.00 O ATOM 1400 CB ASP A 97 -5.284 -18.914 24.310 1.00 50.00 C ATOM 1401 CG ASP A 97 -6.517 -18.937 25.215 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -7.419 -19.711 24.935 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -6.539 -18.184 26.174 1.00 50.00 O ATOM 0 H ASP A 97 -4.581 -21.793 25.272 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.936 -20.875 23.598 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -4.419 -18.549 24.864 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -5.442 -18.227 23.478 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.304 -21.125 22.269 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.520 -21.092 21.004 1.00 10.00 C ATOM 1410 C VAL A 98 -3.210 -21.914 19.915 1.00 10.00 C ATOM 1411 O VAL A 98 -3.823 -22.930 20.177 1.00 10.00 O ATOM 1412 CB VAL A 98 -1.165 -21.704 21.362 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -0.357 -21.941 20.085 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.400 -20.747 22.279 1.00 50.00 C ATOM 0 H VAL A 98 -3.038 -21.856 22.929 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.423 -20.080 20.612 1.00 10.00 H new ATOM 0 HB VAL A 98 -1.320 -22.654 21.874 1.00 50.00 H new ATOM 0 HG11 VAL A 98 0.609 -22.377 20.341 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -0.901 -22.623 19.431 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -0.202 -20.992 19.571 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.566 -21.182 22.535 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -0.246 -19.797 21.767 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -0.975 -20.579 23.190 1.00 50.00 H new ATOM 1424 N ARG A 99 -3.107 -21.476 18.691 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.743 -22.219 17.568 1.00 10.00 C ATOM 1426 C ARG A 99 -3.102 -21.797 16.243 1.00 10.00 C ATOM 1427 O ARG A 99 -2.329 -20.860 16.190 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.218 -21.818 17.609 1.00 50.00 C ATOM 1429 CG ARG A 99 -5.947 -22.666 18.653 1.00 50.00 C ATOM 1430 CD ARG A 99 -7.414 -22.822 18.251 1.00 50.00 C ATOM 1431 NE ARG A 99 -8.186 -22.247 19.389 1.00 50.00 N ATOM 1432 CZ ARG A 99 -8.960 -23.013 20.107 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -9.581 -24.020 19.552 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -9.112 -22.777 21.382 1.00 50.00 N ATOM 0 H ARG A 99 -2.606 -20.630 18.419 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.619 -23.298 17.656 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.312 -20.760 17.854 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.672 -21.960 16.628 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -5.475 -23.645 18.735 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.876 -22.195 19.633 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -7.627 -22.294 17.322 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -7.670 -23.869 18.089 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.109 -21.253 19.607 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -9.461 -24.207 18.557 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -10.186 -24.619 20.114 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -8.625 -21.993 21.817 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -9.717 -23.376 21.943 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.404 -22.482 15.175 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.795 -22.115 13.864 1.00 10.00 C ATOM 1450 C LEU A 100 -3.816 -21.402 12.975 1.00 10.00 C ATOM 1451 O LEU A 100 -4.808 -21.973 12.568 1.00 10.00 O ATOM 1452 CB LEU A 100 -2.377 -23.444 13.238 1.00 10.00 C ATOM 1453 CG LEU A 100 -1.574 -24.257 14.255 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -1.033 -25.523 13.587 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -0.408 -23.415 14.774 1.00 10.00 C ATOM 0 H LEU A 100 -4.043 -23.277 15.152 1.00 10.00 H new ATOM 0 HA LEU A 100 -1.953 -21.433 13.981 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -3.258 -24.003 12.924 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -1.778 -23.265 12.345 1.00 10.00 H new ATOM 0 HG LEU A 100 -2.220 -24.535 15.088 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -0.461 -26.101 14.313 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -1.865 -26.124 13.219 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -0.387 -25.247 12.753 1.00 10.00 H new ATOM 0 HD21 LEU A 100 0.165 -23.994 15.499 1.00 10.00 H new ATOM 0 HD22 LEU A 100 0.238 -23.135 13.942 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.794 -22.515 15.252 1.00 10.00 H new ATOM 1467 N THR A 101 -3.576 -20.157 12.662 1.00 10.00 N ATOM 1468 CA THR A 101 -4.526 -19.411 11.790 1.00 10.00 C ATOM 1469 C THR A 101 -4.313 -19.812 10.328 1.00 10.00 C ATOM 1470 O THR A 101 -5.145 -19.562 9.478 1.00 10.00 O ATOM 1471 CB THR A 101 -4.187 -17.933 12.001 1.00 10.00 C ATOM 1472 OG1 THR A 101 -2.847 -17.690 11.590 1.00 10.00 O ATOM 1473 CG2 THR A 101 -4.341 -17.578 13.481 1.00 10.00 C ATOM 0 H THR A 101 -2.763 -19.625 12.973 1.00 10.00 H new ATOM 0 HA THR A 101 -5.568 -19.622 12.032 1.00 10.00 H new ATOM 0 HB THR A 101 -4.865 -17.318 11.410 1.00 10.00 H new ATOM 0 HG1 THR A 101 -2.630 -16.744 11.723 1.00 10.00 H new ATOM 0 HG21 THR A 101 -4.099 -16.526 13.630 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.369 -17.762 13.794 1.00 10.00 H new ATOM 0 HG23 THR A 101 -3.665 -18.193 14.075 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.204 -20.434 10.031 1.00 10.00 N ATOM 1482 CA CYS A 102 -2.937 -20.855 8.626 1.00 10.00 C ATOM 1483 C CYS A 102 -3.827 -22.044 8.258 1.00 10.00 C ATOM 1484 O CYS A 102 -4.207 -22.218 7.118 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.460 -21.258 8.602 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.201 -22.697 9.672 1.00 10.00 S ATOM 0 H CYS A 102 -2.471 -20.669 10.701 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.150 -20.063 7.908 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.153 -21.491 7.582 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -0.841 -20.426 8.939 1.00 10.00 H new ATOM 0 HG CYS A 102 0.054 -23.036 9.647 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.161 -22.863 9.217 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.027 -24.041 8.925 1.00 10.00 C ATOM 1493 C ILE A 103 -6.129 -24.163 9.982 1.00 10.00 C ATOM 1494 O ILE A 103 -6.698 -25.219 10.179 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.088 -25.245 8.987 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.389 -25.279 10.348 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -3.040 -25.130 7.878 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -3.840 -26.520 11.122 1.00 50.00 C ATOM 0 H ILE A 103 -3.872 -22.768 10.191 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.524 -23.960 7.958 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.663 -26.161 8.852 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.307 -25.294 10.213 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -3.627 -24.378 10.914 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.369 -25.988 7.921 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -3.537 -25.106 6.908 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.466 -24.214 8.014 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.342 -26.545 12.092 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -4.919 -26.485 11.269 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -3.580 -27.415 10.558 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.433 -23.093 10.665 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.496 -23.153 11.708 1.00 10.00 C ATOM 1512 C GLY A 104 -8.615 -22.170 11.358 1.00 10.00 C ATOM 1513 O GLY A 104 -8.375 -21.104 10.825 1.00 10.00 O ATOM 0 H GLY A 104 -5.992 -22.181 10.546 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -7.895 -24.165 11.777 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.076 -22.909 12.684 1.00 10.00 H new ATOM 1517 N SER A 105 -9.837 -22.518 11.657 1.00 10.00 N ATOM 1518 CA SER A 105 -10.973 -21.603 11.343 1.00 10.00 C ATOM 1519 C SER A 105 -11.871 -21.435 12.571 1.00 10.00 C ATOM 1520 O SER A 105 -12.026 -22.349 13.357 1.00 10.00 O ATOM 1521 CB SER A 105 -11.736 -22.294 10.213 1.00 10.00 C ATOM 1522 OG SER A 105 -12.531 -23.340 10.752 1.00 10.00 O ATOM 0 H SER A 105 -10.099 -23.396 12.105 1.00 10.00 H new ATOM 0 HA SER A 105 -10.635 -20.607 11.058 1.00 10.00 H new ATOM 0 HB2 SER A 105 -12.367 -21.574 9.692 1.00 10.00 H new ATOM 0 HB3 SER A 105 -11.037 -22.695 9.479 1.00 10.00 H new ATOM 0 HG SER A 105 -12.896 -23.883 10.022 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.434 -20.264 12.695 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.329 -19.965 13.839 1.00 10.00 C ATOM 1530 C PRO A 106 -14.673 -20.676 13.663 1.00 10.00 C ATOM 1531 O PRO A 106 -15.230 -20.710 12.583 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.501 -18.451 13.774 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.249 -18.093 12.342 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.291 -19.117 11.790 1.00 10.00 C ATOM 0 HA PRO A 106 -12.930 -20.301 14.796 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.503 -18.154 14.085 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -12.799 -17.945 14.437 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.180 -18.092 11.776 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -12.828 -17.091 12.264 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.542 -19.385 10.764 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.268 -18.742 11.781 1.00 10.00 H new ATOM 1542 N ALA A 107 -15.198 -21.243 14.713 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.506 -21.951 14.603 1.00 10.00 C ATOM 1544 C ALA A 107 -17.564 -21.241 15.450 1.00 10.00 C ATOM 1545 O ALA A 107 -18.742 -21.277 15.152 1.00 10.00 O ATOM 1546 CB ALA A 107 -16.241 -23.357 15.141 1.00 50.00 C ATOM 0 H ALA A 107 -14.779 -21.247 15.643 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.881 -21.971 13.580 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -17.159 -23.944 15.094 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -15.471 -23.838 14.538 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.904 -23.293 16.176 1.00 50.00 H new ATOM 1552 N ALA A 108 -17.154 -20.593 16.506 1.00 10.00 N ATOM 1553 CA ALA A 108 -18.136 -19.880 17.372 1.00 10.00 C ATOM 1554 C ALA A 108 -18.406 -18.478 16.822 1.00 10.00 C ATOM 1555 O ALA A 108 -17.788 -18.044 15.870 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.468 -19.797 18.745 1.00 50.00 C ATOM 0 H ALA A 108 -16.182 -20.526 16.807 1.00 10.00 H new ATOM 0 HA ALA A 108 -19.096 -20.394 17.416 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -18.131 -19.283 19.442 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -17.265 -20.803 19.112 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.532 -19.245 18.661 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.324 -17.765 17.415 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.633 -16.390 16.926 1.00 50.00 C ATOM 1564 C ASP A 109 -18.502 -15.431 17.310 1.00 50.00 C ATOM 1565 O ASP A 109 -17.696 -15.045 16.488 1.00 50.00 O ATOM 1566 CB ASP A 109 -20.933 -16.003 17.630 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.945 -15.503 16.597 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -22.688 -16.321 16.080 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -21.960 -14.310 16.341 1.00 50.00 O ATOM 0 H ASP A 109 -19.874 -18.074 18.217 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.732 -16.346 15.841 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.338 -16.862 18.165 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -20.740 -15.227 18.371 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.436 -15.047 18.556 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.355 -14.119 18.994 1.00 10.00 C ATOM 1576 C GLU A 110 -16.076 -14.910 19.286 1.00 10.00 C ATOM 1577 O GLU A 110 -16.055 -15.778 20.136 1.00 10.00 O ATOM 1578 CB GLU A 110 -17.889 -13.473 20.274 1.00 10.00 C ATOM 1579 CG GLU A 110 -17.924 -11.953 20.105 1.00 10.00 C ATOM 1580 CD GLU A 110 -18.586 -11.320 21.332 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -19.805 -11.327 21.391 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -17.864 -10.842 22.190 1.00 50.00 O ATOM 0 H GLU A 110 -19.084 -15.336 19.289 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.107 -13.377 18.235 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -18.889 -13.848 20.493 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.256 -13.741 21.120 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -16.912 -11.566 19.984 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -18.476 -11.689 19.203 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.012 -14.623 18.588 1.00 10.00 N ATOM 1590 CA VAL A 111 -13.743 -15.369 18.833 1.00 10.00 C ATOM 1591 C VAL A 111 -12.557 -14.405 18.882 1.00 10.00 C ATOM 1592 O VAL A 111 -11.996 -14.042 17.868 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.602 -16.326 17.649 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.577 -17.408 17.993 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.953 -16.981 17.351 1.00 12.50 C ATOM 0 H VAL A 111 -14.965 -13.908 17.862 1.00 10.00 H new ATOM 0 HA VAL A 111 -13.761 -15.899 19.785 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.270 -15.771 16.772 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.474 -18.092 17.151 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.614 -16.943 18.203 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.912 -17.961 18.871 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.849 -17.662 16.507 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -15.289 -17.537 18.226 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.685 -16.211 17.107 1.00 12.50 H new ATOM 1605 N LYS A 112 -12.166 -13.990 20.055 1.00 10.00 N ATOM 1606 CA LYS A 112 -11.013 -13.054 20.165 1.00 10.00 C ATOM 1607 C LYS A 112 -9.700 -13.843 20.214 1.00 10.00 C ATOM 1608 O LYS A 112 -9.631 -14.908 20.791 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.241 -12.302 21.475 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.469 -11.401 21.334 1.00 25.00 C ATOM 1611 CD LYS A 112 -13.371 -11.572 22.557 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.163 -10.395 23.511 1.00 25.00 C ATOM 1613 NZ LYS A 112 -14.417 -10.328 24.314 1.00 25.00 N ATOM 0 H LYS A 112 -12.595 -14.258 20.941 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.943 -12.375 19.315 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -11.386 -13.008 22.293 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.364 -11.704 21.722 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.160 -10.360 21.239 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -13.017 -11.655 20.427 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -14.415 -11.624 22.248 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -13.142 -12.510 23.063 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -12.293 -10.552 24.149 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -12.994 -9.468 22.964 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -14.352 -9.543 24.994 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -15.227 -10.172 23.681 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -14.548 -11.222 24.829 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.663 -13.328 19.612 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.353 -14.042 19.623 1.00 10.00 C ATOM 1629 C ILE A 113 -6.215 -13.069 19.307 1.00 10.00 C ATOM 1630 O ILE A 113 -6.369 -12.155 18.521 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.470 -15.107 18.532 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.086 -15.693 18.239 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -8.035 -14.474 17.260 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.241 -17.029 17.511 1.00 10.00 C ATOM 0 H ILE A 113 -8.666 -12.440 19.111 1.00 10.00 H new ATOM 0 HA ILE A 113 -7.132 -14.481 20.596 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.136 -15.901 18.870 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.507 -14.999 17.629 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.535 -15.835 19.169 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.119 -15.233 16.482 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -9.021 -14.057 17.468 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.369 -13.680 16.922 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.256 -17.446 17.302 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -6.803 -17.722 18.137 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.775 -16.873 16.574 1.00 10.00 H new ATOM 1646 N VAL A 114 -5.069 -13.262 19.903 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.924 -12.350 19.618 1.00 10.00 C ATOM 1648 C VAL A 114 -3.225 -12.799 18.334 1.00 10.00 C ATOM 1649 O VAL A 114 -2.900 -13.960 18.169 1.00 10.00 O ATOM 1650 CB VAL A 114 -2.987 -12.490 20.817 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.984 -11.332 20.818 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.802 -12.457 22.111 1.00 50.00 C ATOM 0 H VAL A 114 -4.877 -14.008 20.572 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.238 -11.316 19.477 1.00 10.00 H new ATOM 0 HB VAL A 114 -2.452 -13.437 20.749 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -1.315 -11.431 21.673 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.402 -11.354 19.897 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -2.521 -10.386 20.885 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -3.132 -12.557 22.965 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.338 -11.511 22.179 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.517 -13.280 22.112 1.00 50.00 H new ATOM 1662 N TYR A 115 -3.003 -11.894 17.420 1.00 10.00 N ATOM 1663 CA TYR A 115 -2.338 -12.276 16.142 1.00 10.00 C ATOM 1664 C TYR A 115 -0.828 -12.007 16.222 1.00 10.00 C ATOM 1665 O TYR A 115 -0.389 -11.047 16.826 1.00 10.00 O ATOM 1666 CB TYR A 115 -3.035 -11.412 15.069 1.00 50.00 C ATOM 1667 CG TYR A 115 -2.129 -10.300 14.575 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -2.119 -9.058 15.225 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.301 -10.515 13.466 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -1.282 -8.034 14.764 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.465 -9.491 13.007 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.455 -8.250 13.656 1.00 50.00 C ATOM 1673 OH TYR A 115 0.369 -7.241 13.203 1.00 50.00 O ATOM 0 H TYR A 115 -3.253 -10.909 17.503 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.430 -13.338 15.912 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -3.331 -12.041 14.230 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.947 -10.982 15.483 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.756 -8.891 16.081 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.308 -11.472 12.965 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -1.275 -7.077 15.264 1.00 50.00 H new ATOM 0 HE2 TYR A 115 0.173 -9.658 12.152 1.00 50.00 H new ATOM 0 HH TYR A 115 0.877 -7.557 12.427 1.00 50.00 H new ATOM 1683 N ASN A 116 -0.035 -12.855 15.614 1.00 10.00 N ATOM 1684 CA ASN A 116 1.449 -12.669 15.640 1.00 10.00 C ATOM 1685 C ASN A 116 2.008 -13.042 17.013 1.00 10.00 C ATOM 1686 O ASN A 116 2.635 -12.240 17.676 1.00 10.00 O ATOM 1687 CB ASN A 116 1.687 -11.187 15.348 1.00 10.00 C ATOM 1688 CG ASN A 116 2.686 -11.048 14.197 1.00 10.00 C ATOM 1689 OD1 ASN A 116 3.921 -11.427 14.371 1.00 10.00 O flip ATOM 1690 ND2 ASN A 116 2.336 -10.591 13.126 1.00 10.00 N flip ATOM 0 H ASN A 116 -0.355 -13.674 15.097 1.00 10.00 H new ATOM 0 HA ASN A 116 1.948 -13.306 14.909 1.00 10.00 H new ATOM 0 HB2 ASN A 116 0.747 -10.701 15.088 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.069 -10.687 16.238 1.00 10.00 H new ATOM 0 HD21 ASN A 116 1.370 -10.294 12.989 1.00 10.00 H new ATOM 0 HD22 ASN A 116 3.009 -10.504 12.364 1.00 10.00 H new ATOM 1697 N ALA A 117 1.791 -14.254 17.446 1.00 10.00 N ATOM 1698 CA ALA A 117 2.322 -14.669 18.777 1.00 10.00 C ATOM 1699 C ALA A 117 3.833 -14.898 18.696 1.00 10.00 C ATOM 1700 O ALA A 117 4.528 -14.856 19.690 1.00 10.00 O ATOM 1701 CB ALA A 117 1.598 -15.974 19.111 1.00 50.00 C ATOM 0 H ALA A 117 1.272 -14.972 16.940 1.00 10.00 H new ATOM 0 HA ALA A 117 2.156 -13.908 19.540 1.00 10.00 H new ATOM 0 HB1 ALA A 117 1.938 -16.341 20.079 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.523 -15.795 19.148 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.816 -16.718 18.344 1.00 50.00 H new ATOM 1732 N HIS A 119 5.968 -13.164 18.407 1.00 50.00 N ATOM 1733 CA HIS A 119 6.646 -12.092 19.189 1.00 50.00 C ATOM 1734 C HIS A 119 6.947 -12.594 20.603 1.00 50.00 C ATOM 1735 O HIS A 119 7.860 -12.129 21.257 1.00 50.00 O ATOM 1736 CB HIS A 119 5.644 -10.936 19.229 1.00 50.00 C ATOM 1737 CG HIS A 119 5.617 -10.247 17.893 1.00 50.00 C ATOM 1738 ND1 HIS A 119 4.586 -9.943 17.037 1.00 50.00 N flip ATOM 1739 CD2 HIS A 119 6.768 -9.773 17.282 1.00 50.00 C flip ATOM 1740 CE1 HIS A 119 5.088 -9.293 15.914 1.00 50.00 C flip ATOM 1741 NE2 HIS A 119 6.406 -9.216 16.112 1.00 50.00 N flip ATOM 0 HA HIS A 119 7.595 -11.788 18.747 1.00 50.00 H new ATOM 0 HB2 HIS A 119 4.651 -11.310 19.477 1.00 50.00 H new ATOM 0 HB3 HIS A 119 5.921 -10.228 20.010 1.00 50.00 H new ATOM 0 HD2 HIS A 119 7.772 -9.839 17.674 1.00 50.00 H new ATOM 0 HE1 HIS A 119 4.531 -8.929 15.064 1.00 50.00 H new ATOM 0 HE2 HIS A 119 7.059 -8.787 15.456 1.00 50.00 H new ATOM 1749 N LEU A 120 6.185 -13.542 21.079 1.00 12.50 N ATOM 1750 CA LEU A 120 6.428 -14.076 22.450 1.00 12.50 C ATOM 1751 C LEU A 120 7.927 -14.283 22.678 1.00 12.50 C ATOM 1752 O LEU A 120 8.698 -14.392 21.744 1.00 12.50 O ATOM 1753 CB LEU A 120 5.689 -15.413 22.491 1.00 12.50 C ATOM 1754 CG LEU A 120 4.609 -15.367 23.574 1.00 12.50 C ATOM 1755 CD1 LEU A 120 3.240 -15.169 22.922 1.00 12.50 C ATOM 1756 CD2 LEU A 120 4.615 -16.680 24.358 1.00 12.50 C ATOM 0 H LEU A 120 5.406 -13.969 20.578 1.00 12.50 H new ATOM 0 HA LEU A 120 6.080 -13.395 23.227 1.00 12.50 H new ATOM 0 HB2 LEU A 120 5.237 -15.621 21.521 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.390 -16.222 22.696 1.00 12.50 H new ATOM 0 HG LEU A 120 4.812 -14.538 24.252 1.00 12.50 H new ATOM 0 HD11 LEU A 120 2.471 -15.136 23.694 1.00 12.50 H new ATOM 0 HD12 LEU A 120 3.235 -14.232 22.364 1.00 12.50 H new ATOM 0 HD13 LEU A 120 3.037 -15.997 22.243 1.00 12.50 H new ATOM 0 HD21 LEU A 120 3.846 -16.647 25.129 1.00 12.50 H new ATOM 0 HD22 LEU A 120 4.414 -17.509 23.680 1.00 12.50 H new ATOM 0 HD23 LEU A 120 5.590 -16.821 24.824 1.00 12.50 H new