USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 741 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 111 LYS NZ :NH3+ -148:sc= 0.0141 (180deg=0) USER MOD Set 1.2: A 113 THR OG1 : rot 180:sc= -0.625 USER MOD Set 2.1: A 29 CYS SG : rot 150:sc= -0.111 USER MOD Set 2.2: A 99 MET CE :methyl 154:sc= -4.51 (180deg=-5.2!) USER MOD Single : A 23 GLN : amide:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 26:sc= -6.47! USER MOD Single : A 34 SER OG : rot 90:sc= 3.85 USER MOD Single : A 39 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.015) USER MOD Single : A 41 ASN : amide:sc= -2.24 K(o=-2.2,f=-6.2!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0078 USER MOD Single : A 49 THR OG1 : rot -100:sc= -0.429 USER MOD Single : A 50 SER OG : rot -127:sc= 0.549 USER MOD Single : A 51 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.49) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -165:sc= -1.4 (180deg=-1.64) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -5.39! C(o=-5.4!,f=-9.5!) USER MOD Single : A 66 ASN : amide:sc= -0.531 K(o=-0.53,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -2.15 K(o=-2.2,f=-3.9!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.744 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.14) USER MOD Single : A 94 ASN : amide:sc= -0.713 K(o=-0.71,f=-1.6) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -5.4! C(o=-5.4!,f=-6.9!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -38:sc= 0.223 USER MOD Single : A 104 ASN : amide:sc= -2.22 K(o=-2.2,f=-0.75) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 63.167 -10.003 -19.026 1.00 0.00 N ATOM 2 CA GLN A 23 62.441 -9.416 -17.902 1.00 0.00 C ATOM 3 C GLN A 23 63.105 -8.111 -17.428 1.00 0.00 C ATOM 4 O GLN A 23 63.656 -8.032 -16.335 1.00 0.00 O ATOM 5 CB GLN A 23 62.381 -10.435 -16.752 1.00 0.00 C ATOM 6 CG GLN A 23 61.195 -11.395 -16.897 1.00 0.00 C ATOM 7 CD GLN A 23 61.390 -12.608 -15.981 1.00 0.00 C ATOM 8 OE1 GLN A 23 61.406 -12.498 -14.762 1.00 0.00 O ATOM 9 NE2 GLN A 23 61.556 -13.765 -16.649 1.00 0.00 N ATOM 0 HA GLN A 23 61.430 -9.170 -18.228 1.00 0.00 H new ATOM 0 HB2 GLN A 23 63.309 -11.006 -16.725 1.00 0.00 H new ATOM 0 HB3 GLN A 23 62.305 -9.906 -15.802 1.00 0.00 H new ATOM 0 HG2 GLN A 23 60.268 -10.882 -16.643 1.00 0.00 H new ATOM 0 HG3 GLN A 23 61.105 -11.722 -17.933 1.00 0.00 H new ATOM 0 HE21 GLN A 23 61.529 -13.774 -17.669 1.00 0.00 H new ATOM 0 HE22 GLN A 23 61.708 -14.633 -16.135 1.00 0.00 H new ATOM 17 N GLN A 24 63.009 -7.099 -18.313 1.00 0.00 N ATOM 18 CA GLN A 24 63.609 -5.797 -18.028 1.00 0.00 C ATOM 19 C GLN A 24 62.547 -4.868 -17.419 1.00 0.00 C ATOM 20 O GLN A 24 61.559 -4.535 -18.065 1.00 0.00 O ATOM 21 CB GLN A 24 64.144 -5.213 -19.339 1.00 0.00 C ATOM 22 CG GLN A 24 65.183 -6.140 -19.989 1.00 0.00 C ATOM 23 CD GLN A 24 65.884 -5.449 -21.164 1.00 0.00 C ATOM 24 OE1 GLN A 24 67.051 -5.088 -21.089 1.00 0.00 O ATOM 25 NE2 GLN A 24 65.102 -5.291 -22.248 1.00 0.00 N ATOM 0 H GLN A 24 62.530 -7.163 -19.211 1.00 0.00 H new ATOM 0 HA GLN A 24 64.428 -5.900 -17.316 1.00 0.00 H new ATOM 0 HB2 GLN A 24 63.317 -5.051 -20.030 1.00 0.00 H new ATOM 0 HB3 GLN A 24 64.594 -4.239 -19.147 1.00 0.00 H new ATOM 0 HG2 GLN A 24 65.922 -6.439 -19.246 1.00 0.00 H new ATOM 0 HG3 GLN A 24 64.695 -7.050 -20.338 1.00 0.00 H new ATOM 0 HE21 GLN A 24 64.137 -5.620 -22.233 1.00 0.00 H new ATOM 0 HE22 GLN A 24 65.475 -4.843 -23.085 1.00 0.00 H new ATOM 34 N VAL A 25 62.810 -4.480 -16.150 1.00 0.00 N ATOM 35 CA VAL A 25 61.878 -3.631 -15.404 1.00 0.00 C ATOM 36 C VAL A 25 62.632 -2.407 -14.901 1.00 0.00 C ATOM 37 O VAL A 25 63.652 -2.539 -14.233 1.00 0.00 O ATOM 38 CB VAL A 25 61.323 -4.414 -14.203 1.00 0.00 C ATOM 39 CG1 VAL A 25 60.423 -3.541 -13.311 1.00 0.00 C ATOM 40 CG2 VAL A 25 60.569 -5.660 -14.683 1.00 0.00 C ATOM 0 H VAL A 25 63.650 -4.742 -15.635 1.00 0.00 H new ATOM 0 HA VAL A 25 61.054 -3.326 -16.048 1.00 0.00 H new ATOM 0 HB VAL A 25 62.171 -4.727 -13.593 1.00 0.00 H new ATOM 0 HG11 VAL A 25 60.053 -4.135 -12.475 1.00 0.00 H new ATOM 0 HG12 VAL A 25 60.998 -2.697 -12.930 1.00 0.00 H new ATOM 0 HG13 VAL A 25 59.580 -3.172 -13.895 1.00 0.00 H new ATOM 0 HG21 VAL A 25 60.181 -6.205 -13.822 1.00 0.00 H new ATOM 0 HG22 VAL A 25 59.741 -5.359 -15.325 1.00 0.00 H new ATOM 0 HG23 VAL A 25 61.248 -6.303 -15.244 1.00 0.00 H new ATOM 50 N GLY A 26 62.060 -1.224 -15.245 1.00 0.00 N ATOM 51 CA GLY A 26 62.652 0.046 -14.840 1.00 0.00 C ATOM 52 C GLY A 26 64.152 0.059 -15.142 1.00 0.00 C ATOM 53 O GLY A 26 64.568 0.046 -16.295 1.00 0.00 O ATOM 0 H GLY A 26 61.204 -1.139 -15.793 1.00 0.00 H new ATOM 0 HA2 GLY A 26 62.162 0.866 -15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 26 62.488 0.207 -13.774 1.00 0.00 H new ATOM 57 N ASP A 27 64.912 0.042 -14.026 1.00 0.00 N ATOM 58 CA ASP A 27 66.364 0.092 -14.126 1.00 0.00 C ATOM 59 C ASP A 27 66.971 -0.040 -12.718 1.00 0.00 C ATOM 60 O ASP A 27 66.942 0.889 -11.921 1.00 0.00 O ATOM 61 CB ASP A 27 66.798 1.414 -14.799 1.00 0.00 C ATOM 62 CG ASP A 27 66.354 2.697 -14.059 1.00 0.00 C ATOM 63 OD1 ASP A 27 65.278 2.722 -13.458 1.00 0.00 O ATOM 64 OD2 ASP A 27 67.105 3.671 -14.096 1.00 0.00 O ATOM 0 H ASP A 27 64.546 -0.005 -13.075 1.00 0.00 H new ATOM 0 HA ASP A 27 66.725 -0.733 -14.741 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.884 1.420 -14.887 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.396 1.438 -15.812 1.00 0.00 H new ATOM 69 N CYS A 28 67.532 -1.240 -12.469 1.00 0.00 N ATOM 70 CA CYS A 28 68.138 -1.514 -11.173 1.00 0.00 C ATOM 71 C CYS A 28 69.501 -2.199 -11.376 1.00 0.00 C ATOM 72 O CYS A 28 69.766 -2.781 -12.418 1.00 0.00 O ATOM 73 CB CYS A 28 67.185 -2.437 -10.431 1.00 0.00 C ATOM 74 SG CYS A 28 66.764 -3.883 -11.439 1.00 0.00 S ATOM 0 H CYS A 28 67.573 -2.010 -13.136 1.00 0.00 H new ATOM 0 HA CYS A 28 68.305 -0.597 -10.607 1.00 0.00 H new ATOM 0 HB2 CYS A 28 67.642 -2.762 -9.496 1.00 0.00 H new ATOM 0 HB3 CYS A 28 66.277 -1.894 -10.170 1.00 0.00 H new ATOM 0 HG CYS A 28 67.726 -4.121 -12.280 1.00 0.00 H new ATOM 80 N CYS A 29 70.334 -2.083 -10.313 1.00 0.00 N ATOM 81 CA CYS A 29 71.697 -2.616 -10.333 1.00 0.00 C ATOM 82 C CYS A 29 71.918 -3.483 -9.091 1.00 0.00 C ATOM 83 O CYS A 29 71.231 -3.328 -8.104 1.00 0.00 O ATOM 84 CB CYS A 29 72.670 -1.435 -10.311 1.00 0.00 C ATOM 85 SG CYS A 29 74.353 -1.909 -10.767 1.00 0.00 S ATOM 0 H CYS A 29 70.077 -1.625 -9.439 1.00 0.00 H new ATOM 0 HA CYS A 29 71.858 -3.221 -11.225 1.00 0.00 H new ATOM 0 HB2 CYS A 29 72.316 -0.665 -10.996 1.00 0.00 H new ATOM 0 HB3 CYS A 29 72.678 -0.995 -9.314 1.00 0.00 H new ATOM 0 HG CYS A 29 74.947 -0.904 -11.338 1.00 0.00 H new ATOM 91 N ILE A 30 72.913 -4.390 -9.187 1.00 0.00 N ATOM 92 CA ILE A 30 73.251 -5.235 -8.037 1.00 0.00 C ATOM 93 C ILE A 30 74.510 -4.673 -7.366 1.00 0.00 C ATOM 94 O ILE A 30 75.529 -4.428 -7.994 1.00 0.00 O ATOM 95 CB ILE A 30 73.472 -6.677 -8.517 1.00 0.00 C ATOM 96 CG1 ILE A 30 72.156 -7.298 -9.020 1.00 0.00 C ATOM 97 CG2 ILE A 30 74.097 -7.564 -7.427 1.00 0.00 C ATOM 98 CD1 ILE A 30 72.239 -7.766 -10.475 1.00 0.00 C ATOM 0 H ILE A 30 73.476 -4.549 -10.022 1.00 0.00 H new ATOM 0 HA ILE A 30 72.440 -5.239 -7.309 1.00 0.00 H new ATOM 0 HB ILE A 30 74.179 -6.628 -9.346 1.00 0.00 H new ATOM 0 HG12 ILE A 30 71.893 -8.144 -8.385 1.00 0.00 H new ATOM 0 HG13 ILE A 30 71.354 -6.566 -8.924 1.00 0.00 H new ATOM 0 HG21 ILE A 30 74.234 -8.574 -7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 30 75.063 -7.154 -7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 30 73.437 -7.594 -6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 30 71.283 -8.195 -10.774 1.00 0.00 H new ATOM 0 HD12 ILE A 30 72.473 -6.917 -11.117 1.00 0.00 H new ATOM 0 HD13 ILE A 30 73.020 -8.520 -10.571 1.00 0.00 H new ATOM 110 N ILE A 31 74.344 -4.508 -6.040 1.00 0.00 N ATOM 111 CA ILE A 31 75.369 -3.977 -5.166 1.00 0.00 C ATOM 112 C ILE A 31 75.650 -4.999 -4.040 1.00 0.00 C ATOM 113 O ILE A 31 74.779 -5.726 -3.582 1.00 0.00 O ATOM 114 CB ILE A 31 74.848 -2.641 -4.603 1.00 0.00 C ATOM 115 CG1 ILE A 31 73.455 -2.796 -3.985 1.00 0.00 C ATOM 116 CG2 ILE A 31 74.797 -1.539 -5.669 1.00 0.00 C ATOM 117 CD1 ILE A 31 73.232 -1.896 -2.777 1.00 0.00 C ATOM 0 H ILE A 31 73.479 -4.747 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 31 76.305 -3.803 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 31 75.559 -2.347 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 31 72.702 -2.572 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 31 73.310 -3.835 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 31 74.423 -0.618 -5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 31 75.798 -1.370 -6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 31 74.133 -1.845 -6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 31 72.227 -2.054 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 31 73.963 -2.135 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 31 73.346 -0.853 -3.074 1.00 0.00 H new ATOM 129 N ARG A 32 76.933 -4.988 -3.647 1.00 0.00 N ATOM 130 CA ARG A 32 77.453 -5.848 -2.594 1.00 0.00 C ATOM 131 C ARG A 32 77.606 -4.968 -1.340 1.00 0.00 C ATOM 132 O ARG A 32 78.238 -3.931 -1.408 1.00 0.00 O ATOM 133 CB ARG A 32 78.801 -6.377 -3.134 1.00 0.00 C ATOM 134 CG ARG A 32 79.792 -6.719 -2.035 1.00 0.00 C ATOM 135 CD ARG A 32 81.198 -7.121 -2.493 1.00 0.00 C ATOM 136 NE ARG A 32 81.407 -8.537 -2.221 1.00 0.00 N ATOM 137 CZ ARG A 32 80.953 -9.402 -3.147 1.00 0.00 C ATOM 138 NH1 ARG A 32 81.725 -9.687 -4.186 1.00 0.00 N ATOM 139 NH2 ARG A 32 79.748 -9.953 -3.026 1.00 0.00 N ATOM 0 H ARG A 32 77.637 -4.375 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 32 76.819 -6.694 -2.328 1.00 0.00 H new ATOM 0 HB2 ARG A 32 78.619 -7.265 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 32 79.241 -5.627 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 32 79.881 -5.857 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 32 79.378 -7.535 -1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 32 81.317 -6.922 -3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 32 81.947 -6.525 -1.972 1.00 0.00 H new ATOM 0 HE ARG A 32 81.874 -8.857 -1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 32 82.644 -9.253 -4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 32 81.400 -10.340 -4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 32 79.159 -9.721 -2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 32 79.413 -10.607 -3.733 1.00 0.00 H new ATOM 153 N VAL A 33 77.020 -5.415 -0.207 1.00 0.00 N ATOM 154 CA VAL A 33 77.021 -4.667 1.050 1.00 0.00 C ATOM 155 C VAL A 33 77.596 -5.523 2.193 1.00 0.00 C ATOM 156 O VAL A 33 77.020 -6.530 2.582 1.00 0.00 O ATOM 157 CB VAL A 33 75.602 -4.179 1.417 1.00 0.00 C ATOM 158 CG1 VAL A 33 75.534 -2.653 1.611 1.00 0.00 C ATOM 159 CG2 VAL A 33 74.561 -4.623 0.397 1.00 0.00 C ATOM 0 H VAL A 33 76.534 -6.310 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 33 77.656 -3.792 0.910 1.00 0.00 H new ATOM 0 HB VAL A 33 75.368 -4.648 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 33 74.515 -2.364 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 33 76.208 -2.358 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 33 75.831 -2.155 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 33 73.579 -4.257 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 33 74.816 -4.219 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 33 74.542 -5.712 0.346 1.00 0.00 H new ATOM 169 N SER A 34 78.735 -5.030 2.721 1.00 0.00 N ATOM 170 CA SER A 34 79.342 -5.577 3.933 1.00 0.00 C ATOM 171 C SER A 34 79.015 -4.631 5.062 1.00 0.00 C ATOM 172 O SER A 34 78.586 -3.507 4.839 1.00 0.00 O ATOM 173 CB SER A 34 80.882 -5.621 3.813 1.00 0.00 C ATOM 174 OG SER A 34 81.401 -6.914 3.594 1.00 0.00 O ATOM 0 H SER A 34 79.250 -4.248 2.317 1.00 0.00 H new ATOM 0 HA SER A 34 78.964 -6.586 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 34 81.192 -4.972 2.994 1.00 0.00 H new ATOM 0 HB3 SER A 34 81.320 -5.214 4.725 1.00 0.00 H new ATOM 0 HG SER A 34 81.450 -7.088 2.631 1.00 0.00 H new ATOM 180 N LEU A 35 79.281 -5.152 6.270 1.00 0.00 N ATOM 181 CA LEU A 35 79.182 -4.284 7.449 1.00 0.00 C ATOM 182 C LEU A 35 80.546 -3.656 7.745 1.00 0.00 C ATOM 183 O LEU A 35 81.564 -4.029 7.171 1.00 0.00 O ATOM 184 CB LEU A 35 78.603 -5.115 8.604 1.00 0.00 C ATOM 185 CG LEU A 35 77.148 -4.754 8.908 1.00 0.00 C ATOM 186 CD1 LEU A 35 76.301 -4.949 7.659 1.00 0.00 C ATOM 187 CD2 LEU A 35 76.625 -5.640 10.049 1.00 0.00 C ATOM 0 H LEU A 35 79.552 -6.118 6.451 1.00 0.00 H new ATOM 0 HA LEU A 35 78.506 -3.445 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 35 78.667 -6.174 8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.207 -4.961 9.498 1.00 0.00 H new ATOM 0 HG LEU A 35 77.088 -3.710 9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 35 75.265 -4.691 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 35 76.674 -4.306 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 35 76.356 -5.990 7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 35 75.588 -5.382 10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 35 76.684 -6.687 9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 35 77.231 -5.481 10.941 1.00 0.00 H new ATOM 199 N ASP A 36 80.468 -2.682 8.682 1.00 0.00 N ATOM 200 CA ASP A 36 81.577 -1.946 9.290 1.00 0.00 C ATOM 201 C ASP A 36 82.550 -2.826 10.099 1.00 0.00 C ATOM 202 O ASP A 36 82.657 -2.733 11.318 1.00 0.00 O ATOM 203 CB ASP A 36 80.958 -0.886 10.210 1.00 0.00 C ATOM 204 CG ASP A 36 79.998 -1.428 11.293 1.00 0.00 C ATOM 205 OD1 ASP A 36 78.883 -1.825 10.956 1.00 0.00 O ATOM 206 OD2 ASP A 36 80.371 -1.431 12.465 1.00 0.00 O ATOM 0 H ASP A 36 79.567 -2.378 9.050 1.00 0.00 H new ATOM 0 HA ASP A 36 82.176 -1.513 8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 36 81.764 -0.341 10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 36 80.416 -0.167 9.595 1.00 0.00 H new ATOM 211 N VAL A 37 83.229 -3.678 9.329 1.00 0.00 N ATOM 212 CA VAL A 37 83.998 -4.783 9.877 1.00 0.00 C ATOM 213 C VAL A 37 84.858 -5.274 8.710 1.00 0.00 C ATOM 214 O VAL A 37 84.622 -6.329 8.134 1.00 0.00 O ATOM 215 CB VAL A 37 83.076 -5.916 10.383 1.00 0.00 C ATOM 216 CG1 VAL A 37 82.961 -5.948 11.910 1.00 0.00 C ATOM 217 CG2 VAL A 37 81.688 -5.901 9.729 1.00 0.00 C ATOM 0 H VAL A 37 83.258 -3.617 8.311 1.00 0.00 H new ATOM 0 HA VAL A 37 84.594 -4.473 10.735 1.00 0.00 H new ATOM 0 HB VAL A 37 83.566 -6.839 10.072 1.00 0.00 H new ATOM 0 HG11 VAL A 37 82.302 -6.763 12.208 1.00 0.00 H new ATOM 0 HG12 VAL A 37 83.948 -6.102 12.346 1.00 0.00 H new ATOM 0 HG13 VAL A 37 82.551 -5.002 12.264 1.00 0.00 H new ATOM 0 HG21 VAL A 37 81.090 -6.721 10.127 1.00 0.00 H new ATOM 0 HG22 VAL A 37 81.194 -4.953 9.945 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.793 -6.018 8.650 1.00 0.00 H new ATOM 227 N ASP A 38 85.870 -4.430 8.431 1.00 0.00 N ATOM 228 CA ASP A 38 86.894 -4.700 7.417 1.00 0.00 C ATOM 229 C ASP A 38 87.383 -6.170 7.388 1.00 0.00 C ATOM 230 O ASP A 38 87.749 -6.678 6.330 1.00 0.00 O ATOM 231 CB ASP A 38 88.082 -3.755 7.661 1.00 0.00 C ATOM 232 CG ASP A 38 88.745 -3.979 9.041 1.00 0.00 C ATOM 233 OD1 ASP A 38 89.534 -4.915 9.176 1.00 0.00 O ATOM 234 OD2 ASP A 38 88.464 -3.216 9.963 1.00 0.00 O ATOM 0 H ASP A 38 85.996 -3.538 8.909 1.00 0.00 H new ATOM 0 HA ASP A 38 86.437 -4.524 6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 38 88.825 -3.901 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 38 87.741 -2.722 7.589 1.00 0.00 H new ATOM 239 N ASN A 39 87.354 -6.781 8.591 1.00 0.00 N ATOM 240 CA ASN A 39 87.714 -8.186 8.796 1.00 0.00 C ATOM 241 C ASN A 39 86.669 -9.093 8.132 1.00 0.00 C ATOM 242 O ASN A 39 85.792 -9.609 8.815 1.00 0.00 O ATOM 243 CB ASN A 39 87.711 -8.455 10.316 1.00 0.00 C ATOM 244 CG ASN A 39 88.181 -9.892 10.625 1.00 0.00 C ATOM 245 OD1 ASN A 39 89.353 -10.219 10.491 1.00 0.00 O ATOM 246 ND2 ASN A 39 87.197 -10.727 11.014 1.00 0.00 N ATOM 0 H ASN A 39 87.077 -6.303 9.449 1.00 0.00 H new ATOM 0 HA ASN A 39 88.693 -8.390 8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 39 88.364 -7.740 10.817 1.00 0.00 H new ATOM 0 HB3 ASN A 39 86.707 -8.304 10.714 1.00 0.00 H new ATOM 0 HD21 ASN A 39 87.408 -11.704 11.219 1.00 0.00 H new ATOM 0 HD22 ASN A 39 86.241 -10.382 11.104 1.00 0.00 H new ATOM 253 N GLY A 40 86.820 -9.261 6.795 1.00 0.00 N ATOM 254 CA GLY A 40 85.949 -10.104 5.976 1.00 0.00 C ATOM 255 C GLY A 40 84.461 -9.945 6.319 1.00 0.00 C ATOM 256 O GLY A 40 83.761 -9.094 5.780 1.00 0.00 O ATOM 0 H GLY A 40 87.560 -8.806 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 40 86.101 -9.860 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 40 86.236 -11.147 6.106 1.00 0.00 H new ATOM 260 N ASN A 41 84.053 -10.814 7.271 1.00 0.00 N ATOM 261 CA ASN A 41 82.722 -10.745 7.860 1.00 0.00 C ATOM 262 C ASN A 41 81.755 -11.403 6.868 1.00 0.00 C ATOM 263 O ASN A 41 82.089 -12.412 6.254 1.00 0.00 O ATOM 264 CB ASN A 41 82.377 -9.295 8.299 1.00 0.00 C ATOM 265 CG ASN A 41 81.733 -9.274 9.696 1.00 0.00 C ATOM 266 OD1 ASN A 41 82.267 -8.701 10.633 1.00 0.00 O ATOM 267 ND2 ASN A 41 80.571 -9.932 9.798 1.00 0.00 N ATOM 0 H ASN A 41 84.635 -11.566 7.639 1.00 0.00 H new ATOM 0 HA ASN A 41 82.648 -11.301 8.795 1.00 0.00 H new ATOM 0 HB2 ASN A 41 83.283 -8.689 8.304 1.00 0.00 H new ATOM 0 HB3 ASN A 41 81.697 -8.845 7.576 1.00 0.00 H new ATOM 0 HD21 ASN A 41 80.085 -9.973 10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 41 80.172 -10.392 8.980 1.00 0.00 H new ATOM 274 N MET A 42 80.566 -10.785 6.737 1.00 0.00 N ATOM 275 CA MET A 42 79.529 -11.291 5.848 1.00 0.00 C ATOM 276 C MET A 42 79.177 -10.178 4.846 1.00 0.00 C ATOM 277 O MET A 42 78.821 -9.057 5.212 1.00 0.00 O ATOM 278 CB MET A 42 78.331 -11.697 6.715 1.00 0.00 C ATOM 279 CG MET A 42 78.679 -12.817 7.714 1.00 0.00 C ATOM 280 SD MET A 42 77.972 -12.493 9.339 1.00 0.00 S ATOM 281 CE MET A 42 76.556 -13.591 9.223 1.00 0.00 C ATOM 0 H MET A 42 80.310 -9.935 7.240 1.00 0.00 H new ATOM 0 HA MET A 42 79.852 -12.164 5.280 1.00 0.00 H new ATOM 0 HB2 MET A 42 77.970 -10.826 7.262 1.00 0.00 H new ATOM 0 HB3 MET A 42 77.516 -12.029 6.071 1.00 0.00 H new ATOM 0 HG2 MET A 42 78.308 -13.770 7.338 1.00 0.00 H new ATOM 0 HG3 MET A 42 79.762 -12.908 7.798 1.00 0.00 H new ATOM 0 HE1 MET A 42 75.977 -13.537 10.145 1.00 0.00 H new ATOM 0 HE2 MET A 42 75.930 -13.290 8.383 1.00 0.00 H new ATOM 0 HE3 MET A 42 76.900 -14.614 9.070 1.00 0.00 H new ATOM 291 N TYR A 43 79.328 -10.591 3.566 1.00 0.00 N ATOM 292 CA TYR A 43 79.008 -9.759 2.409 1.00 0.00 C ATOM 293 C TYR A 43 77.686 -10.252 1.793 1.00 0.00 C ATOM 294 O TYR A 43 77.585 -11.378 1.321 1.00 0.00 O ATOM 295 CB TYR A 43 80.151 -9.887 1.373 1.00 0.00 C ATOM 296 CG TYR A 43 80.950 -8.617 1.234 1.00 0.00 C ATOM 297 CD1 TYR A 43 80.303 -7.431 0.919 1.00 0.00 C ATOM 298 CD2 TYR A 43 82.330 -8.604 1.405 1.00 0.00 C ATOM 299 CE1 TYR A 43 81.020 -6.254 0.766 1.00 0.00 C ATOM 300 CE2 TYR A 43 83.054 -7.424 1.254 1.00 0.00 C ATOM 301 CZ TYR A 43 82.397 -6.240 0.921 1.00 0.00 C ATOM 302 OH TYR A 43 83.056 -5.036 0.762 1.00 0.00 O ATOM 0 H TYR A 43 79.678 -11.517 3.318 1.00 0.00 H new ATOM 0 HA TYR A 43 78.902 -8.716 2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 43 80.815 -10.699 1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 43 79.730 -10.155 0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 43 79.231 -7.424 0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 43 82.846 -9.519 1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 43 80.500 -5.339 0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 43 84.125 -7.426 1.395 1.00 0.00 H new ATOM 0 HH TYR A 43 84.017 -5.169 0.899 1.00 0.00 H new ATOM 312 N LYS A 44 76.696 -9.334 1.823 1.00 0.00 N ATOM 313 CA LYS A 44 75.351 -9.611 1.314 1.00 0.00 C ATOM 314 C LYS A 44 75.126 -8.898 -0.012 1.00 0.00 C ATOM 315 O LYS A 44 75.582 -7.792 -0.213 1.00 0.00 O ATOM 316 CB LYS A 44 74.337 -9.149 2.367 1.00 0.00 C ATOM 317 CG LYS A 44 74.504 -9.953 3.656 1.00 0.00 C ATOM 318 CD LYS A 44 74.386 -11.456 3.420 1.00 0.00 C ATOM 319 CE LYS A 44 74.298 -12.262 4.712 1.00 0.00 C ATOM 320 NZ LYS A 44 73.246 -13.255 4.578 1.00 0.00 N ATOM 0 H LYS A 44 76.812 -8.393 2.198 1.00 0.00 H new ATOM 0 HA LYS A 44 75.229 -10.679 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 44 74.475 -8.087 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 44 73.324 -9.271 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 44 75.476 -9.732 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 44 73.749 -9.640 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 44 73.501 -11.654 2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 44 75.248 -11.796 2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 44 75.251 -12.749 4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 44 74.088 -11.602 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 73.179 -13.810 5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 72.339 -12.778 4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 73.466 -13.889 3.783 1.00 0.00 H new ATOM 334 N SER A 45 74.407 -9.602 -0.909 1.00 0.00 N ATOM 335 CA SER A 45 74.131 -9.085 -2.248 1.00 0.00 C ATOM 336 C SER A 45 72.642 -8.723 -2.351 1.00 0.00 C ATOM 337 O SER A 45 71.779 -9.458 -1.894 1.00 0.00 O ATOM 338 CB SER A 45 74.477 -10.177 -3.264 1.00 0.00 C ATOM 339 OG SER A 45 74.019 -11.454 -2.855 1.00 0.00 O ATOM 0 H SER A 45 74.012 -10.524 -0.724 1.00 0.00 H new ATOM 0 HA SER A 45 74.726 -8.194 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 45 74.035 -9.926 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 45 75.557 -10.209 -3.407 1.00 0.00 H new ATOM 0 HG SER A 45 74.259 -12.120 -3.532 1.00 0.00 H new ATOM 345 N ILE A 46 72.408 -7.541 -2.968 1.00 0.00 N ATOM 346 CA ILE A 46 71.062 -6.976 -3.047 1.00 0.00 C ATOM 347 C ILE A 46 70.980 -6.083 -4.300 1.00 0.00 C ATOM 348 O ILE A 46 71.992 -5.637 -4.814 1.00 0.00 O ATOM 349 CB ILE A 46 70.765 -6.167 -1.766 1.00 0.00 C ATOM 350 CG1 ILE A 46 71.844 -5.118 -1.507 1.00 0.00 C ATOM 351 CG2 ILE A 46 70.612 -7.065 -0.529 1.00 0.00 C ATOM 352 CD1 ILE A 46 71.437 -4.123 -0.427 1.00 0.00 C ATOM 0 H ILE A 46 73.132 -6.974 -3.410 1.00 0.00 H new ATOM 0 HA ILE A 46 70.317 -7.768 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 46 69.813 -5.665 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 46 72.767 -5.616 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 46 72.055 -4.581 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.404 -6.448 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 46 69.789 -7.762 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 46 71.534 -7.623 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 46 72.238 -3.398 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.529 -3.604 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 46 71.253 -4.655 0.507 1.00 0.00 H new ATOM 364 N LEU A 47 69.725 -5.857 -4.749 1.00 0.00 N ATOM 365 CA LEU A 47 69.468 -5.009 -5.914 1.00 0.00 C ATOM 366 C LEU A 47 68.899 -3.655 -5.440 1.00 0.00 C ATOM 367 O LEU A 47 68.110 -3.582 -4.506 1.00 0.00 O ATOM 368 CB LEU A 47 68.475 -5.746 -6.822 1.00 0.00 C ATOM 369 CG LEU A 47 68.069 -4.953 -8.088 1.00 0.00 C ATOM 370 CD1 LEU A 47 68.604 -5.580 -9.388 1.00 0.00 C ATOM 371 CD2 LEU A 47 66.545 -4.710 -8.134 1.00 0.00 C ATOM 0 H LEU A 47 68.887 -6.250 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 47 70.384 -4.810 -6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 47 68.914 -6.696 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 47 67.578 -5.978 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 47 68.551 -3.978 -8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 47 68.286 -4.979 -10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 47 69.693 -5.614 -9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 47 68.212 -6.592 -9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 47 66.293 -4.151 -9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 47 66.024 -5.667 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 47 66.241 -4.140 -7.256 1.00 0.00 H new ATOM 383 N VAL A 48 69.355 -2.603 -6.157 1.00 0.00 N ATOM 384 CA VAL A 48 68.991 -1.220 -5.930 1.00 0.00 C ATOM 385 C VAL A 48 68.235 -0.678 -7.148 1.00 0.00 C ATOM 386 O VAL A 48 68.645 -0.879 -8.280 1.00 0.00 O ATOM 387 CB VAL A 48 70.300 -0.443 -5.696 1.00 0.00 C ATOM 388 CG1 VAL A 48 71.012 0.046 -6.977 1.00 0.00 C ATOM 389 CG2 VAL A 48 69.999 0.700 -4.759 1.00 0.00 C ATOM 0 H VAL A 48 70.008 -2.717 -6.932 1.00 0.00 H new ATOM 0 HA VAL A 48 68.334 -1.115 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 48 71.017 -1.137 -5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 48 71.922 0.581 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 48 71.267 -0.811 -7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 48 70.350 0.713 -7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 48 70.910 1.269 -4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 48 69.249 1.351 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.620 0.307 -3.816 1.00 0.00 H new ATOM 399 N THR A 49 67.128 0.028 -6.862 1.00 0.00 N ATOM 400 CA THR A 49 66.332 0.612 -7.940 1.00 0.00 C ATOM 401 C THR A 49 66.786 2.061 -8.127 1.00 0.00 C ATOM 402 O THR A 49 67.256 2.675 -7.185 1.00 0.00 O ATOM 403 CB THR A 49 64.836 0.427 -7.606 1.00 0.00 C ATOM 404 OG1 THR A 49 64.372 1.233 -6.534 1.00 0.00 O ATOM 405 CG2 THR A 49 64.568 -1.038 -7.214 1.00 0.00 C ATOM 0 H THR A 49 66.776 0.202 -5.920 1.00 0.00 H new ATOM 0 HA THR A 49 66.479 0.118 -8.900 1.00 0.00 H new ATOM 0 HB THR A 49 64.304 0.727 -8.509 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.330 0.696 -5.715 1.00 0.00 H new ATOM 0 HG21 THR A 49 63.511 -1.164 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 49 64.836 -1.692 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.167 -1.296 -6.341 1.00 0.00 H new ATOM 413 N SER A 50 66.667 2.590 -9.357 1.00 0.00 N ATOM 414 CA SER A 50 66.981 4.006 -9.596 1.00 0.00 C ATOM 415 C SER A 50 66.571 4.942 -8.433 1.00 0.00 C ATOM 416 O SER A 50 67.419 5.550 -7.798 1.00 0.00 O ATOM 417 CB SER A 50 66.340 4.434 -10.914 1.00 0.00 C ATOM 418 OG SER A 50 64.948 4.167 -10.973 1.00 0.00 O ATOM 0 H SER A 50 66.363 2.072 -10.182 1.00 0.00 H new ATOM 0 HA SER A 50 68.065 4.101 -9.657 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.505 5.501 -11.061 1.00 0.00 H new ATOM 0 HB3 SER A 50 66.837 3.919 -11.736 1.00 0.00 H new ATOM 0 HG SER A 50 64.748 3.648 -11.780 1.00 0.00 H new ATOM 424 N GLN A 51 65.253 4.972 -8.161 1.00 0.00 N ATOM 425 CA GLN A 51 64.724 5.862 -7.121 1.00 0.00 C ATOM 426 C GLN A 51 65.099 5.455 -5.686 1.00 0.00 C ATOM 427 O GLN A 51 64.998 6.274 -4.778 1.00 0.00 O ATOM 428 CB GLN A 51 63.199 5.923 -7.239 1.00 0.00 C ATOM 429 CG GLN A 51 62.707 7.279 -7.779 1.00 0.00 C ATOM 430 CD GLN A 51 61.566 7.823 -6.908 1.00 0.00 C ATOM 431 OE1 GLN A 51 60.758 7.080 -6.365 1.00 0.00 O ATOM 432 NE2 GLN A 51 61.571 9.163 -6.783 1.00 0.00 N ATOM 0 H GLN A 51 64.552 4.403 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 51 65.183 6.835 -7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 51 62.856 5.126 -7.899 1.00 0.00 H new ATOM 0 HB3 GLN A 51 62.754 5.741 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 51 63.532 7.992 -7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 51 62.365 7.165 -8.807 1.00 0.00 H new ATOM 0 HE21 GLN A 51 62.277 9.718 -7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 51 60.869 9.624 -6.205 1.00 0.00 H new ATOM 441 N ASP A 52 65.531 4.183 -5.544 1.00 0.00 N ATOM 442 CA ASP A 52 66.066 3.680 -4.270 1.00 0.00 C ATOM 443 C ASP A 52 67.079 4.677 -3.710 1.00 0.00 C ATOM 444 O ASP A 52 67.727 5.423 -4.438 1.00 0.00 O ATOM 445 CB ASP A 52 66.790 2.347 -4.502 1.00 0.00 C ATOM 446 CG ASP A 52 67.306 1.670 -3.240 1.00 0.00 C ATOM 447 OD1 ASP A 52 68.297 2.159 -2.704 1.00 0.00 O ATOM 448 OD2 ASP A 52 66.744 0.658 -2.825 1.00 0.00 O ATOM 0 H ASP A 52 65.518 3.493 -6.295 1.00 0.00 H new ATOM 0 HA ASP A 52 65.240 3.545 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 52 66.109 1.664 -5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 52 67.631 2.519 -5.174 1.00 0.00 H new ATOM 453 N LYS A 53 67.153 4.651 -2.375 1.00 0.00 N ATOM 454 CA LYS A 53 67.936 5.637 -1.675 1.00 0.00 C ATOM 455 C LYS A 53 68.900 4.884 -0.763 1.00 0.00 C ATOM 456 O LYS A 53 68.738 3.690 -0.515 1.00 0.00 O ATOM 457 CB LYS A 53 66.943 6.543 -0.933 1.00 0.00 C ATOM 458 CG LYS A 53 65.669 6.855 -1.735 1.00 0.00 C ATOM 459 CD LYS A 53 64.663 7.681 -0.925 1.00 0.00 C ATOM 460 CE LYS A 53 63.275 7.031 -0.859 1.00 0.00 C ATOM 461 NZ LYS A 53 62.355 7.709 -1.761 1.00 0.00 N ATOM 0 H LYS A 53 66.685 3.967 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 53 68.541 6.274 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 53 66.662 6.066 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 53 67.440 7.479 -0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 53 65.936 7.398 -2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 53 65.201 5.922 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 53 65.044 7.817 0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 53 64.574 8.673 -1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 53 63.347 5.977 -1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 53 62.894 7.075 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 61.419 7.258 -1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 62.274 8.709 -1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 62.713 7.645 -2.735 1.00 0.00 H new ATOM 475 N ALA A 54 69.894 5.639 -0.269 1.00 0.00 N ATOM 476 CA ALA A 54 70.767 5.162 0.800 1.00 0.00 C ATOM 477 C ALA A 54 70.000 4.360 1.916 1.00 0.00 C ATOM 478 O ALA A 54 70.306 3.228 2.139 1.00 0.00 O ATOM 479 CB ALA A 54 71.563 6.336 1.374 1.00 0.00 C ATOM 0 H ALA A 54 70.108 6.581 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 54 71.462 4.443 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 54 72.214 5.979 2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 54 72.167 6.786 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 54 70.875 7.081 1.774 1.00 0.00 H new ATOM 485 N PRO A 55 68.977 5.030 2.554 1.00 0.00 N ATOM 486 CA PRO A 55 68.212 4.380 3.645 1.00 0.00 C ATOM 487 C PRO A 55 67.386 3.142 3.232 1.00 0.00 C ATOM 488 O PRO A 55 66.901 2.397 4.080 1.00 0.00 O ATOM 489 CB PRO A 55 67.324 5.513 4.188 1.00 0.00 C ATOM 490 CG PRO A 55 67.236 6.562 3.080 1.00 0.00 C ATOM 491 CD PRO A 55 68.518 6.382 2.285 1.00 0.00 C ATOM 0 HA PRO A 55 68.890 3.955 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 55 66.334 5.139 4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 55 67.752 5.941 5.095 1.00 0.00 H new ATOM 0 HG2 PRO A 55 66.356 6.407 2.455 1.00 0.00 H new ATOM 0 HG3 PRO A 55 67.162 7.569 3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 55 68.339 6.527 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 55 69.268 7.114 2.585 1.00 0.00 H new ATOM 499 N ALA A 56 67.296 2.948 1.901 1.00 0.00 N ATOM 500 CA ALA A 56 66.554 1.824 1.331 1.00 0.00 C ATOM 501 C ALA A 56 67.453 0.575 1.208 1.00 0.00 C ATOM 502 O ALA A 56 67.106 -0.509 1.657 1.00 0.00 O ATOM 503 CB ALA A 56 66.046 2.233 -0.050 1.00 0.00 C ATOM 0 H ALA A 56 67.730 3.558 1.208 1.00 0.00 H new ATOM 0 HA ALA A 56 65.720 1.573 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 56 65.489 1.407 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 56 65.393 3.101 0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 56 66.892 2.484 -0.689 1.00 0.00 H new ATOM 509 N VAL A 57 68.626 0.800 0.589 1.00 0.00 N ATOM 510 CA VAL A 57 69.671 -0.232 0.512 1.00 0.00 C ATOM 511 C VAL A 57 70.081 -0.733 1.894 1.00 0.00 C ATOM 512 O VAL A 57 70.475 -1.881 2.055 1.00 0.00 O ATOM 513 CB VAL A 57 70.878 0.377 -0.223 1.00 0.00 C ATOM 514 CG1 VAL A 57 72.217 -0.315 0.055 1.00 0.00 C ATOM 515 CG2 VAL A 57 70.601 0.344 -1.713 1.00 0.00 C ATOM 0 H VAL A 57 68.871 1.682 0.138 1.00 0.00 H new ATOM 0 HA VAL A 57 69.286 -1.097 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 57 70.987 1.393 0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 57 73.008 0.183 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 57 72.440 -0.262 1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 57 72.157 -1.359 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 57 71.447 0.772 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 57 70.453 -0.687 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 57 69.703 0.923 -1.929 1.00 0.00 H new ATOM 525 N ILE A 58 69.966 0.198 2.848 1.00 0.00 N ATOM 526 CA ILE A 58 70.289 -0.114 4.228 1.00 0.00 C ATOM 527 C ILE A 58 69.187 -0.986 4.839 1.00 0.00 C ATOM 528 O ILE A 58 69.474 -1.842 5.659 1.00 0.00 O ATOM 529 CB ILE A 58 70.483 1.223 4.945 1.00 0.00 C ATOM 530 CG1 ILE A 58 71.834 1.847 4.552 1.00 0.00 C ATOM 531 CG2 ILE A 58 70.349 1.098 6.458 1.00 0.00 C ATOM 532 CD1 ILE A 58 71.850 3.371 4.503 1.00 0.00 C ATOM 0 H ILE A 58 69.656 1.156 2.685 1.00 0.00 H new ATOM 0 HA ILE A 58 71.204 -0.698 4.322 1.00 0.00 H new ATOM 0 HB ILE A 58 69.683 1.888 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 58 72.591 1.513 5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.123 1.464 3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 58 70.495 2.075 6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 58 69.355 0.726 6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 58 71.101 0.404 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.844 3.715 4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 58 71.121 3.719 3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 58 71.597 3.769 5.485 1.00 0.00 H new ATOM 544 N ARG A 59 67.943 -0.750 4.398 1.00 0.00 N ATOM 545 CA ARG A 59 66.842 -1.571 4.904 1.00 0.00 C ATOM 546 C ARG A 59 67.007 -3.049 4.504 1.00 0.00 C ATOM 547 O ARG A 59 66.730 -3.955 5.282 1.00 0.00 O ATOM 548 CB ARG A 59 65.548 -0.996 4.334 1.00 0.00 C ATOM 549 CG ARG A 59 64.315 -1.806 4.711 1.00 0.00 C ATOM 550 CD ARG A 59 63.065 -1.197 4.087 1.00 0.00 C ATOM 551 NE ARG A 59 61.952 -1.461 4.982 1.00 0.00 N ATOM 552 CZ ARG A 59 60.841 -2.063 4.523 1.00 0.00 C ATOM 553 NH1 ARG A 59 60.772 -3.389 4.478 1.00 0.00 N ATOM 554 NH2 ARG A 59 59.824 -1.313 4.123 1.00 0.00 N ATOM 0 H ARG A 59 67.684 -0.031 3.723 1.00 0.00 H new ATOM 0 HA ARG A 59 66.829 -1.546 5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 59 65.425 0.027 4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.626 -0.949 3.248 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.432 -2.836 4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 59 64.210 -1.836 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 59 63.193 -0.124 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 59 62.877 -1.631 3.105 1.00 0.00 H new ATOM 0 HE ARG A 59 62.014 -1.188 5.963 1.00 0.00 H new ATOM 0 HH11 ARG A 59 61.563 -3.952 4.792 1.00 0.00 H new ATOM 0 HH12 ARG A 59 59.928 -3.844 4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 59 59.892 -0.296 4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 59 58.973 -1.753 3.772 1.00 0.00 H new ATOM 568 N LYS A 60 67.467 -3.211 3.250 1.00 0.00 N ATOM 569 CA LYS A 60 67.629 -4.542 2.684 1.00 0.00 C ATOM 570 C LYS A 60 68.836 -5.255 3.309 1.00 0.00 C ATOM 571 O LYS A 60 68.733 -6.377 3.789 1.00 0.00 O ATOM 572 CB LYS A 60 67.818 -4.388 1.173 1.00 0.00 C ATOM 573 CG LYS A 60 67.423 -5.671 0.436 1.00 0.00 C ATOM 574 CD LYS A 60 66.047 -5.529 -0.216 1.00 0.00 C ATOM 575 CE LYS A 60 66.119 -4.687 -1.498 1.00 0.00 C ATOM 576 NZ LYS A 60 65.308 -5.287 -2.545 1.00 0.00 N ATOM 0 H LYS A 60 67.726 -2.446 2.627 1.00 0.00 H new ATOM 0 HA LYS A 60 66.749 -5.149 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 60 67.214 -3.556 0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 60 68.858 -4.146 0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 60 68.168 -5.901 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 60 67.413 -6.507 1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 60 65.650 -6.517 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 60 65.355 -5.065 0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 60 65.771 -3.674 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 60 67.154 -4.608 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 65.367 -4.706 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 65.658 -6.245 -2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 64.318 -5.340 -2.230 1.00 0.00 H new ATOM 590 N ALA A 61 69.952 -4.503 3.269 1.00 0.00 N ATOM 591 CA ALA A 61 71.245 -4.936 3.804 1.00 0.00 C ATOM 592 C ALA A 61 71.155 -5.289 5.299 1.00 0.00 C ATOM 593 O ALA A 61 71.815 -6.211 5.763 1.00 0.00 O ATOM 594 CB ALA A 61 72.264 -3.808 3.582 1.00 0.00 C ATOM 0 H ALA A 61 69.976 -3.569 2.859 1.00 0.00 H new ATOM 0 HA ALA A 61 71.559 -5.840 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 61 73.234 -4.112 3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 61 72.352 -3.602 2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 61 71.929 -2.908 4.099 1.00 0.00 H new ATOM 600 N MET A 62 70.306 -4.518 6.007 1.00 0.00 N ATOM 601 CA MET A 62 70.154 -4.706 7.450 1.00 0.00 C ATOM 602 C MET A 62 69.323 -5.940 7.788 1.00 0.00 C ATOM 603 O MET A 62 69.757 -6.762 8.579 1.00 0.00 O ATOM 604 CB MET A 62 69.479 -3.501 8.092 1.00 0.00 C ATOM 605 CG MET A 62 70.483 -2.406 8.451 1.00 0.00 C ATOM 606 SD MET A 62 69.878 -1.393 9.813 1.00 0.00 S ATOM 607 CE MET A 62 68.152 -1.245 9.324 1.00 0.00 C ATOM 0 H MET A 62 69.730 -3.777 5.608 1.00 0.00 H new ATOM 0 HA MET A 62 71.163 -4.833 7.842 1.00 0.00 H new ATOM 0 HB2 MET A 62 68.731 -3.098 7.409 1.00 0.00 H new ATOM 0 HB3 MET A 62 68.951 -3.818 8.991 1.00 0.00 H new ATOM 0 HG2 MET A 62 71.436 -2.858 8.725 1.00 0.00 H new ATOM 0 HG3 MET A 62 70.667 -1.777 7.580 1.00 0.00 H new ATOM 0 HE1 MET A 62 67.680 -0.443 9.892 1.00 0.00 H new ATOM 0 HE2 MET A 62 68.094 -1.019 8.259 1.00 0.00 H new ATOM 0 HE3 MET A 62 67.635 -2.184 9.524 1.00 0.00 H new ATOM 617 N ASP A 63 68.127 -6.011 7.167 1.00 0.00 N ATOM 618 CA ASP A 63 67.259 -7.192 7.305 1.00 0.00 C ATOM 619 C ASP A 63 68.055 -8.499 7.061 1.00 0.00 C ATOM 620 O ASP A 63 67.830 -9.521 7.703 1.00 0.00 O ATOM 621 CB ASP A 63 66.096 -7.039 6.303 1.00 0.00 C ATOM 622 CG ASP A 63 64.983 -8.102 6.467 1.00 0.00 C ATOM 623 OD1 ASP A 63 65.284 -9.295 6.485 1.00 0.00 O ATOM 624 OD2 ASP A 63 63.818 -7.721 6.565 1.00 0.00 O ATOM 0 H ASP A 63 67.747 -5.274 6.574 1.00 0.00 H new ATOM 0 HA ASP A 63 66.865 -7.257 8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 63 65.658 -6.048 6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 63 66.493 -7.096 5.289 1.00 0.00 H new ATOM 629 N LYS A 64 69.002 -8.362 6.116 1.00 0.00 N ATOM 630 CA LYS A 64 69.893 -9.450 5.727 1.00 0.00 C ATOM 631 C LYS A 64 70.878 -9.818 6.847 1.00 0.00 C ATOM 632 O LYS A 64 71.149 -10.986 7.099 1.00 0.00 O ATOM 633 CB LYS A 64 70.643 -9.004 4.460 1.00 0.00 C ATOM 634 CG LYS A 64 70.310 -9.895 3.267 1.00 0.00 C ATOM 635 CD LYS A 64 68.798 -9.905 2.973 1.00 0.00 C ATOM 636 CE LYS A 64 68.125 -11.241 3.328 1.00 0.00 C ATOM 637 NZ LYS A 64 67.686 -11.923 2.121 1.00 0.00 N ATOM 0 H LYS A 64 69.164 -7.493 5.607 1.00 0.00 H new ATOM 0 HA LYS A 64 69.308 -10.349 5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 64 70.383 -7.971 4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 64 71.717 -9.029 4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 64 70.850 -9.544 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 64 70.650 -10.912 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 64 68.319 -9.103 3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 64 68.638 -9.694 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 64 68.823 -11.873 3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 64 67.273 -11.063 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 67.233 -12.824 2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 67.004 -11.325 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 68.506 -12.109 1.509 1.00 0.00 H new ATOM 651 N HIS A 65 71.383 -8.740 7.470 1.00 0.00 N ATOM 652 CA HIS A 65 72.392 -8.855 8.520 1.00 0.00 C ATOM 653 C HIS A 65 71.788 -8.953 9.927 1.00 0.00 C ATOM 654 O HIS A 65 72.535 -8.993 10.901 1.00 0.00 O ATOM 655 CB HIS A 65 73.282 -7.618 8.448 1.00 0.00 C ATOM 656 CG HIS A 65 74.263 -7.742 7.308 1.00 0.00 C ATOM 657 ND1 HIS A 65 74.422 -6.813 6.348 1.00 0.00 N ATOM 658 CD2 HIS A 65 75.140 -8.806 7.045 1.00 0.00 C ATOM 659 CE1 HIS A 65 75.400 -7.266 5.554 1.00 0.00 C ATOM 660 NE2 HIS A 65 75.853 -8.468 5.949 1.00 0.00 N ATOM 0 H HIS A 65 71.105 -7.781 7.260 1.00 0.00 H new ATOM 0 HA HIS A 65 72.951 -9.776 8.352 1.00 0.00 H new ATOM 0 HB2 HIS A 65 72.668 -6.728 8.313 1.00 0.00 H new ATOM 0 HB3 HIS A 65 73.820 -7.494 9.388 1.00 0.00 H new ATOM 0 HD1 HIS A 65 73.903 -5.941 6.246 1.00 0.00 H new ATOM 0 HD2 HIS A 65 75.228 -9.721 7.612 1.00 0.00 H new ATOM 0 HE1 HIS A 65 75.780 -6.729 4.697 1.00 0.00 H new ATOM 668 N ASN A 66 70.442 -8.991 10.000 1.00 0.00 N ATOM 669 CA ASN A 66 69.769 -9.168 11.290 1.00 0.00 C ATOM 670 C ASN A 66 70.121 -8.029 12.274 1.00 0.00 C ATOM 671 O ASN A 66 70.365 -8.263 13.452 1.00 0.00 O ATOM 672 CB ASN A 66 70.127 -10.547 11.882 1.00 0.00 C ATOM 673 CG ASN A 66 69.959 -11.701 10.873 1.00 0.00 C ATOM 674 OD1 ASN A 66 70.731 -12.651 10.865 1.00 0.00 O ATOM 675 ND2 ASN A 66 68.928 -11.555 10.018 1.00 0.00 N ATOM 0 H ASN A 66 69.818 -8.903 9.198 1.00 0.00 H new ATOM 0 HA ASN A 66 68.692 -9.126 11.126 1.00 0.00 H new ATOM 0 HB2 ASN A 66 71.158 -10.528 12.234 1.00 0.00 H new ATOM 0 HB3 ASN A 66 69.497 -10.737 12.751 1.00 0.00 H new ATOM 0 HD21 ASN A 66 68.752 -12.264 9.306 1.00 0.00 H new ATOM 0 HD22 ASN A 66 68.324 -10.736 10.083 1.00 0.00 H new ATOM 682 N LEU A 67 70.151 -6.804 11.700 1.00 0.00 N ATOM 683 CA LEU A 67 70.565 -5.614 12.451 1.00 0.00 C ATOM 684 C LEU A 67 69.353 -4.792 12.894 1.00 0.00 C ATOM 685 O LEU A 67 69.337 -3.568 12.821 1.00 0.00 O ATOM 686 CB LEU A 67 71.469 -4.751 11.563 1.00 0.00 C ATOM 687 CG LEU A 67 72.896 -5.284 11.458 1.00 0.00 C ATOM 688 CD1 LEU A 67 73.648 -4.488 10.384 1.00 0.00 C ATOM 689 CD2 LEU A 67 73.630 -5.260 12.812 1.00 0.00 C ATOM 0 H LEU A 67 69.895 -6.623 10.729 1.00 0.00 H new ATOM 0 HA LEU A 67 71.104 -5.935 13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 67 71.036 -4.691 10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 67 71.495 -3.736 11.960 1.00 0.00 H new ATOM 0 HG LEU A 67 72.858 -6.333 11.164 1.00 0.00 H new ATOM 0 HD11 LEU A 67 74.669 -4.862 10.302 1.00 0.00 H new ATOM 0 HD12 LEU A 67 73.142 -4.602 9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 67 73.669 -3.434 10.660 1.00 0.00 H new ATOM 0 HD21 LEU A 67 74.640 -5.649 12.685 1.00 0.00 H new ATOM 0 HD22 LEU A 67 73.679 -4.236 13.181 1.00 0.00 H new ATOM 0 HD23 LEU A 67 73.091 -5.879 13.529 1.00 0.00 H new ATOM 701 N GLU A 68 68.363 -5.551 13.388 1.00 0.00 N ATOM 702 CA GLU A 68 67.136 -4.949 13.890 1.00 0.00 C ATOM 703 C GLU A 68 67.335 -4.054 15.122 1.00 0.00 C ATOM 704 O GLU A 68 66.471 -3.242 15.432 1.00 0.00 O ATOM 705 CB GLU A 68 66.185 -6.071 14.274 1.00 0.00 C ATOM 706 CG GLU A 68 65.586 -6.734 13.028 1.00 0.00 C ATOM 707 CD GLU A 68 64.214 -7.350 13.343 1.00 0.00 C ATOM 708 OE1 GLU A 68 63.354 -6.639 13.864 1.00 0.00 O ATOM 709 OE2 GLU A 68 64.016 -8.530 13.060 1.00 0.00 O ATOM 0 H GLU A 68 68.394 -6.569 13.447 1.00 0.00 H new ATOM 0 HA GLU A 68 66.748 -4.312 13.095 1.00 0.00 H new ATOM 0 HB2 GLU A 68 66.716 -6.816 14.867 1.00 0.00 H new ATOM 0 HB3 GLU A 68 65.385 -5.676 14.900 1.00 0.00 H new ATOM 0 HG2 GLU A 68 65.484 -5.997 12.232 1.00 0.00 H new ATOM 0 HG3 GLU A 68 66.261 -7.507 12.662 1.00 0.00 H new ATOM 716 N GLU A 69 68.502 -4.243 15.768 1.00 0.00 N ATOM 717 CA GLU A 69 68.951 -3.430 16.903 1.00 0.00 C ATOM 718 C GLU A 69 68.639 -1.926 16.740 1.00 0.00 C ATOM 719 O GLU A 69 68.346 -1.240 17.713 1.00 0.00 O ATOM 720 CB GLU A 69 70.460 -3.657 17.054 1.00 0.00 C ATOM 721 CG GLU A 69 71.255 -3.193 15.818 1.00 0.00 C ATOM 722 CD GLU A 69 72.676 -3.765 15.741 1.00 0.00 C ATOM 723 OE1 GLU A 69 72.912 -4.861 16.249 1.00 0.00 O ATOM 724 OE2 GLU A 69 73.534 -3.113 15.147 1.00 0.00 O ATOM 0 H GLU A 69 69.164 -4.975 15.509 1.00 0.00 H new ATOM 0 HA GLU A 69 68.407 -3.740 17.795 1.00 0.00 H new ATOM 0 HB2 GLU A 69 70.818 -3.122 17.934 1.00 0.00 H new ATOM 0 HB3 GLU A 69 70.649 -4.717 17.226 1.00 0.00 H new ATOM 0 HG2 GLU A 69 70.709 -3.480 14.919 1.00 0.00 H new ATOM 0 HG3 GLU A 69 71.312 -2.105 15.823 1.00 0.00 H new ATOM 731 N GLU A 70 68.704 -1.492 15.460 1.00 0.00 N ATOM 732 CA GLU A 70 68.426 -0.102 15.100 1.00 0.00 C ATOM 733 C GLU A 70 67.678 -0.064 13.762 1.00 0.00 C ATOM 734 O GLU A 70 67.413 -1.076 13.123 1.00 0.00 O ATOM 735 CB GLU A 70 69.767 0.641 15.023 1.00 0.00 C ATOM 736 CG GLU A 70 70.353 0.944 16.419 1.00 0.00 C ATOM 737 CD GLU A 70 71.665 0.190 16.710 1.00 0.00 C ATOM 738 OE1 GLU A 70 72.491 0.051 15.807 1.00 0.00 O ATOM 739 OE2 GLU A 70 71.846 -0.267 17.839 1.00 0.00 O ATOM 0 H GLU A 70 68.946 -2.090 14.670 1.00 0.00 H new ATOM 0 HA GLU A 70 67.793 0.383 15.843 1.00 0.00 H new ATOM 0 HB2 GLU A 70 70.479 0.042 14.455 1.00 0.00 H new ATOM 0 HB3 GLU A 70 69.631 1.575 14.478 1.00 0.00 H new ATOM 0 HG2 GLU A 70 70.532 2.016 16.505 1.00 0.00 H new ATOM 0 HG3 GLU A 70 69.616 0.682 17.179 1.00 0.00 H new ATOM 746 N GLU A 71 67.356 1.200 13.408 1.00 0.00 N ATOM 747 CA GLU A 71 66.618 1.541 12.201 1.00 0.00 C ATOM 748 C GLU A 71 67.651 1.819 11.070 1.00 0.00 C ATOM 749 O GLU A 71 68.805 1.823 11.293 1.00 0.00 O ATOM 750 CB GLU A 71 65.795 2.801 12.519 1.00 0.00 C ATOM 751 CG GLU A 71 64.280 2.505 12.573 1.00 0.00 C ATOM 752 CD GLU A 71 63.416 3.549 11.832 1.00 0.00 C ATOM 753 OE1 GLU A 71 63.814 4.710 11.744 1.00 0.00 O ATOM 754 OE2 GLU A 71 62.354 3.178 11.334 1.00 0.00 O ATOM 0 H GLU A 71 67.611 2.013 13.969 1.00 0.00 H new ATOM 0 HA GLU A 71 65.952 0.741 11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.118 3.213 13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 71 65.989 3.561 11.762 1.00 0.00 H new ATOM 0 HG2 GLU A 71 64.095 1.521 12.141 1.00 0.00 H new ATOM 0 HG3 GLU A 71 63.965 2.460 13.615 1.00 0.00 H new ATOM 761 N PRO A 72 67.072 2.046 9.834 1.00 0.00 N ATOM 762 CA PRO A 72 67.942 2.323 8.679 1.00 0.00 C ATOM 763 C PRO A 72 68.579 3.712 8.725 1.00 0.00 C ATOM 764 O PRO A 72 69.701 3.931 8.267 1.00 0.00 O ATOM 765 CB PRO A 72 66.964 2.307 7.486 1.00 0.00 C ATOM 766 CG PRO A 72 65.577 2.555 8.084 1.00 0.00 C ATOM 767 CD PRO A 72 65.664 2.007 9.496 1.00 0.00 C ATOM 0 HA PRO A 72 68.760 1.604 8.637 1.00 0.00 H new ATOM 0 HB2 PRO A 72 67.220 3.078 6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 72 67.000 1.351 6.963 1.00 0.00 H new ATOM 0 HG2 PRO A 72 65.330 3.617 8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 72 64.801 2.048 7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 72 65.076 2.609 10.189 1.00 0.00 H new ATOM 0 HD3 PRO A 72 65.275 0.990 9.548 1.00 0.00 H new ATOM 775 N GLU A 73 67.788 4.595 9.341 1.00 0.00 N ATOM 776 CA GLU A 73 68.121 6.008 9.501 1.00 0.00 C ATOM 777 C GLU A 73 69.409 6.207 10.314 1.00 0.00 C ATOM 778 O GLU A 73 70.043 7.257 10.238 1.00 0.00 O ATOM 779 CB GLU A 73 66.910 6.689 10.157 1.00 0.00 C ATOM 780 CG GLU A 73 65.579 6.396 9.434 1.00 0.00 C ATOM 781 CD GLU A 73 65.661 6.588 7.899 1.00 0.00 C ATOM 782 OE1 GLU A 73 66.157 5.699 7.207 1.00 0.00 O ATOM 783 OE2 GLU A 73 65.225 7.625 7.407 1.00 0.00 O ATOM 0 H GLU A 73 66.887 4.342 9.747 1.00 0.00 H new ATOM 0 HA GLU A 73 68.325 6.460 8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 73 66.833 6.358 11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 73 67.075 7.766 10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 73 65.274 5.372 9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 73 64.804 7.050 9.834 1.00 0.00 H new ATOM 790 N ASP A 74 69.751 5.136 11.057 1.00 0.00 N ATOM 791 CA ASP A 74 70.939 5.140 11.904 1.00 0.00 C ATOM 792 C ASP A 74 72.129 4.434 11.225 1.00 0.00 C ATOM 793 O ASP A 74 72.941 3.810 11.893 1.00 0.00 O ATOM 794 CB ASP A 74 70.561 4.411 13.209 1.00 0.00 C ATOM 795 CG ASP A 74 71.260 4.992 14.455 1.00 0.00 C ATOM 796 OD1 ASP A 74 71.757 6.115 14.409 1.00 0.00 O ATOM 797 OD2 ASP A 74 71.284 4.313 15.476 1.00 0.00 O ATOM 0 H ASP A 74 69.219 4.266 11.082 1.00 0.00 H new ATOM 0 HA ASP A 74 71.255 6.166 12.096 1.00 0.00 H new ATOM 0 HB2 ASP A 74 69.481 4.465 13.348 1.00 0.00 H new ATOM 0 HB3 ASP A 74 70.818 3.356 13.115 1.00 0.00 H new ATOM 802 N TYR A 75 72.182 4.555 9.885 1.00 0.00 N ATOM 803 CA TYR A 75 73.214 3.859 9.115 1.00 0.00 C ATOM 804 C TYR A 75 73.507 4.689 7.847 1.00 0.00 C ATOM 805 O TYR A 75 72.609 5.242 7.225 1.00 0.00 O ATOM 806 CB TYR A 75 72.697 2.456 8.753 1.00 0.00 C ATOM 807 CG TYR A 75 72.955 1.399 9.799 1.00 0.00 C ATOM 808 CD1 TYR A 75 74.188 0.775 9.874 1.00 0.00 C ATOM 809 CD2 TYR A 75 71.968 1.030 10.703 1.00 0.00 C ATOM 810 CE1 TYR A 75 74.462 -0.151 10.870 1.00 0.00 C ATOM 811 CE2 TYR A 75 72.218 0.080 11.687 1.00 0.00 C ATOM 812 CZ TYR A 75 73.478 -0.506 11.781 1.00 0.00 C ATOM 813 OH TYR A 75 73.785 -1.424 12.764 1.00 0.00 O ATOM 0 H TYR A 75 71.536 5.116 9.329 1.00 0.00 H new ATOM 0 HA TYR A 75 74.134 3.750 9.689 1.00 0.00 H new ATOM 0 HB2 TYR A 75 71.624 2.515 8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 75 73.161 2.143 7.818 1.00 0.00 H new ATOM 0 HD1 TYR A 75 74.949 1.013 9.146 1.00 0.00 H new ATOM 0 HD2 TYR A 75 70.992 1.488 10.641 1.00 0.00 H new ATOM 0 HE1 TYR A 75 75.444 -0.596 10.936 1.00 0.00 H new ATOM 0 HE2 TYR A 75 71.437 -0.203 12.377 1.00 0.00 H new ATOM 0 HH TYR A 75 72.998 -1.574 13.329 1.00 0.00 H new ATOM 823 N GLU A 76 74.820 4.741 7.531 1.00 0.00 N ATOM 824 CA GLU A 76 75.386 5.482 6.410 1.00 0.00 C ATOM 825 C GLU A 76 75.927 4.493 5.375 1.00 0.00 C ATOM 826 O GLU A 76 76.351 3.391 5.707 1.00 0.00 O ATOM 827 CB GLU A 76 76.502 6.409 6.922 1.00 0.00 C ATOM 828 CG GLU A 76 77.683 5.682 7.597 1.00 0.00 C ATOM 829 CD GLU A 76 77.591 5.729 9.136 1.00 0.00 C ATOM 830 OE1 GLU A 76 76.487 5.651 9.669 1.00 0.00 O ATOM 831 OE2 GLU A 76 78.629 5.850 9.784 1.00 0.00 O ATOM 0 H GLU A 76 75.528 4.248 8.075 1.00 0.00 H new ATOM 0 HA GLU A 76 74.619 6.095 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 76 76.883 6.993 6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 76 76.072 7.114 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 76 77.705 4.643 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 76 78.620 6.138 7.276 1.00 0.00 H new ATOM 838 N LEU A 77 75.878 4.963 4.103 1.00 0.00 N ATOM 839 CA LEU A 77 76.266 4.081 3.007 1.00 0.00 C ATOM 840 C LEU A 77 77.562 4.583 2.376 1.00 0.00 C ATOM 841 O LEU A 77 77.709 5.766 2.126 1.00 0.00 O ATOM 842 CB LEU A 77 75.157 4.178 1.968 1.00 0.00 C ATOM 843 CG LEU A 77 75.155 3.025 0.966 1.00 0.00 C ATOM 844 CD1 LEU A 77 75.014 1.683 1.698 1.00 0.00 C ATOM 845 CD2 LEU A 77 74.033 3.222 -0.055 1.00 0.00 C ATOM 0 H LEU A 77 75.587 5.902 3.832 1.00 0.00 H new ATOM 0 HA LEU A 77 76.415 3.060 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 77 74.194 4.207 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 77 75.259 5.119 1.427 1.00 0.00 H new ATOM 0 HG LEU A 77 76.104 3.014 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 77 75.014 0.870 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 77 75.849 1.554 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 77 74.078 1.670 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 77 74.039 2.396 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 77 73.073 3.251 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 77 74.187 4.160 -0.588 1.00 0.00 H new ATOM 857 N LEU A 78 78.478 3.620 2.129 1.00 0.00 N ATOM 858 CA LEU A 78 79.777 3.976 1.566 1.00 0.00 C ATOM 859 C LEU A 78 80.009 3.080 0.364 1.00 0.00 C ATOM 860 O LEU A 78 79.600 1.945 0.386 1.00 0.00 O ATOM 861 CB LEU A 78 80.885 3.750 2.605 1.00 0.00 C ATOM 862 CG LEU A 78 80.659 4.467 3.945 1.00 0.00 C ATOM 863 CD1 LEU A 78 80.333 5.943 3.763 1.00 0.00 C ATOM 864 CD2 LEU A 78 79.616 3.785 4.837 1.00 0.00 C ATOM 0 H LEU A 78 78.340 2.625 2.307 1.00 0.00 H new ATOM 0 HA LEU A 78 79.793 5.027 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.978 2.680 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.833 4.084 2.184 1.00 0.00 H new ATOM 0 HG LEU A 78 81.613 4.393 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 78 80.182 6.405 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 78 81.158 6.437 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.425 6.044 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.509 4.346 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 78 78.658 3.755 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 78 79.939 2.769 5.062 1.00 0.00 H new ATOM 876 N GLN A 79 80.666 3.637 -0.677 1.00 0.00 N ATOM 877 CA GLN A 79 81.026 2.832 -1.843 1.00 0.00 C ATOM 878 C GLN A 79 82.546 2.661 -1.827 1.00 0.00 C ATOM 879 O GLN A 79 83.259 3.608 -1.571 1.00 0.00 O ATOM 880 CB GLN A 79 80.538 3.570 -3.101 1.00 0.00 C ATOM 881 CG GLN A 79 80.064 2.615 -4.202 1.00 0.00 C ATOM 882 CD GLN A 79 81.187 2.097 -5.088 1.00 0.00 C ATOM 883 OE1 GLN A 79 81.964 1.245 -4.693 1.00 0.00 O ATOM 884 NE2 GLN A 79 81.223 2.651 -6.312 1.00 0.00 N ATOM 0 H GLN A 79 80.948 4.616 -0.726 1.00 0.00 H new ATOM 0 HA GLN A 79 80.564 1.845 -1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 79 79.721 4.239 -2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 79 81.345 4.192 -3.488 1.00 0.00 H new ATOM 0 HG2 GLN A 79 79.556 1.768 -3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 79 79.330 3.127 -4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 79 80.537 3.360 -6.571 1.00 0.00 H new ATOM 0 HE22 GLN A 79 81.936 2.362 -6.982 1.00 0.00 H new ATOM 893 N ILE A 80 83.021 1.432 -2.098 1.00 0.00 N ATOM 894 CA ILE A 80 84.469 1.206 -2.119 1.00 0.00 C ATOM 895 C ILE A 80 84.921 1.187 -3.571 1.00 0.00 C ATOM 896 O ILE A 80 84.367 0.452 -4.376 1.00 0.00 O ATOM 897 CB ILE A 80 84.742 -0.151 -1.478 1.00 0.00 C ATOM 898 CG1 ILE A 80 84.384 -0.138 0.009 1.00 0.00 C ATOM 899 CG2 ILE A 80 86.185 -0.638 -1.694 1.00 0.00 C ATOM 900 CD1 ILE A 80 83.715 -1.456 0.394 1.00 0.00 C ATOM 0 H ILE A 80 82.447 0.613 -2.297 1.00 0.00 H new ATOM 0 HA ILE A 80 85.003 1.986 -1.576 1.00 0.00 H new ATOM 0 HB ILE A 80 84.095 -0.867 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 80 85.283 0.012 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 80 83.715 0.696 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 80 86.317 -1.608 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 80 86.382 -0.731 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 80 86.880 0.080 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 80 83.463 -1.440 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 80 82.806 -1.588 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 80 84.398 -2.282 0.196 1.00 0.00 H new ATOM 912 N LEU A 81 85.937 2.050 -3.829 1.00 0.00 N ATOM 913 CA LEU A 81 86.475 2.237 -5.178 1.00 0.00 C ATOM 914 C LEU A 81 87.887 1.665 -5.322 1.00 0.00 C ATOM 915 O LEU A 81 88.296 1.242 -6.398 1.00 0.00 O ATOM 916 CB LEU A 81 86.454 3.730 -5.564 1.00 0.00 C ATOM 917 CG LEU A 81 85.223 4.512 -5.065 1.00 0.00 C ATOM 918 CD1 LEU A 81 83.896 3.736 -5.065 1.00 0.00 C ATOM 919 CD2 LEU A 81 85.514 5.110 -3.686 1.00 0.00 C ATOM 0 H LEU A 81 86.391 2.620 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 81 85.832 1.683 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 81 87.352 4.205 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.502 3.810 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 81 85.063 5.302 -5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.098 4.380 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 81 83.663 3.414 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.985 2.863 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 81 84.641 5.662 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.742 4.309 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.367 5.786 -3.755 1.00 0.00 H new ATOM 931 N SER A 82 88.586 1.681 -4.179 1.00 0.00 N ATOM 932 CA SER A 82 89.946 1.164 -4.115 1.00 0.00 C ATOM 933 C SER A 82 90.143 0.647 -2.691 1.00 0.00 C ATOM 934 O SER A 82 89.285 0.819 -1.829 1.00 0.00 O ATOM 935 CB SER A 82 90.941 2.267 -4.538 1.00 0.00 C ATOM 936 OG SER A 82 91.952 2.575 -3.594 1.00 0.00 O ATOM 0 H SER A 82 88.229 2.045 -3.296 1.00 0.00 H new ATOM 0 HA SER A 82 90.127 0.341 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 82 91.419 1.962 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 82 90.379 3.176 -4.751 1.00 0.00 H new ATOM 0 HG SER A 82 92.530 3.280 -3.952 1.00 0.00 H new ATOM 942 N ASP A 83 91.319 0.010 -2.513 1.00 0.00 N ATOM 943 CA ASP A 83 91.752 -0.572 -1.238 1.00 0.00 C ATOM 944 C ASP A 83 91.343 0.290 -0.022 1.00 0.00 C ATOM 945 O ASP A 83 90.715 -0.193 0.916 1.00 0.00 O ATOM 946 CB ASP A 83 93.281 -0.774 -1.252 1.00 0.00 C ATOM 947 CG ASP A 83 93.751 -1.460 -2.548 1.00 0.00 C ATOM 948 OD1 ASP A 83 93.478 -2.649 -2.721 1.00 0.00 O ATOM 949 OD2 ASP A 83 94.380 -0.797 -3.374 1.00 0.00 O ATOM 0 H ASP A 83 91.999 -0.113 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 83 91.248 -1.533 -1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 83 93.777 0.191 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 83 93.577 -1.376 -0.393 1.00 0.00 H new ATOM 954 N ASP A 84 91.720 1.581 -0.133 1.00 0.00 N ATOM 955 CA ASP A 84 91.434 2.563 0.919 1.00 0.00 C ATOM 956 C ASP A 84 90.501 3.680 0.425 1.00 0.00 C ATOM 957 O ASP A 84 89.941 4.412 1.233 1.00 0.00 O ATOM 958 CB ASP A 84 92.767 3.157 1.397 1.00 0.00 C ATOM 959 CG ASP A 84 93.378 2.245 2.473 1.00 0.00 C ATOM 960 OD1 ASP A 84 93.993 1.241 2.118 1.00 0.00 O ATOM 961 OD2 ASP A 84 93.222 2.548 3.656 1.00 0.00 O ATOM 0 H ASP A 84 92.220 1.960 -0.937 1.00 0.00 H new ATOM 0 HA ASP A 84 90.920 2.062 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 84 93.455 3.258 0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 84 92.608 4.157 1.800 1.00 0.00 H new ATOM 966 N ARG A 85 90.363 3.769 -0.911 1.00 0.00 N ATOM 967 CA ARG A 85 89.498 4.804 -1.471 1.00 0.00 C ATOM 968 C ARG A 85 88.038 4.383 -1.264 1.00 0.00 C ATOM 969 O ARG A 85 87.590 3.373 -1.793 1.00 0.00 O ATOM 970 CB ARG A 85 89.821 4.952 -2.965 1.00 0.00 C ATOM 971 CG ARG A 85 89.921 6.388 -3.461 1.00 0.00 C ATOM 972 CD ARG A 85 88.654 7.225 -3.192 1.00 0.00 C ATOM 973 NE ARG A 85 88.913 8.110 -2.065 1.00 0.00 N ATOM 974 CZ ARG A 85 89.879 9.043 -2.222 1.00 0.00 C ATOM 975 NH1 ARG A 85 89.955 9.762 -3.340 1.00 0.00 N ATOM 976 NH2 ARG A 85 90.795 9.193 -1.272 1.00 0.00 N ATOM 0 H ARG A 85 90.820 3.162 -1.591 1.00 0.00 H new ATOM 0 HA ARG A 85 89.660 5.763 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 85 90.765 4.446 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 85 89.052 4.437 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 85 90.773 6.870 -2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 85 90.120 6.380 -4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 85 88.389 7.805 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 85 87.809 6.572 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 85 88.388 8.030 -1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 85 89.280 9.612 -4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 85 90.688 10.463 -3.447 1.00 0.00 H new ATOM 0 HH21 ARG A 85 90.764 8.608 -0.437 1.00 0.00 H new ATOM 0 HH22 ARG A 85 91.529 9.893 -1.378 1.00 0.00 H new ATOM 990 N LYS A 86 87.339 5.217 -0.469 1.00 0.00 N ATOM 991 CA LYS A 86 85.921 5.017 -0.199 1.00 0.00 C ATOM 992 C LYS A 86 85.176 6.328 -0.493 1.00 0.00 C ATOM 993 O LYS A 86 85.747 7.412 -0.496 1.00 0.00 O ATOM 994 CB LYS A 86 85.736 4.580 1.262 1.00 0.00 C ATOM 995 CG LYS A 86 85.590 3.060 1.419 1.00 0.00 C ATOM 996 CD LYS A 86 86.938 2.327 1.451 1.00 0.00 C ATOM 997 CE LYS A 86 86.968 1.172 2.464 1.00 0.00 C ATOM 998 NZ LYS A 86 87.933 1.445 3.521 1.00 0.00 N ATOM 0 H LYS A 86 87.743 6.032 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 86 85.513 4.233 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 86 86.590 4.920 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 86 84.853 5.069 1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 86 85.045 2.846 2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 86 84.991 2.671 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 86 87.157 1.937 0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 86 87.727 3.038 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 86 85.977 1.033 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 86 87.228 0.243 1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 87.940 0.655 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 88.880 1.555 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 87.668 2.321 4.015 1.00 0.00 H new ATOM 1012 N LEU A 87 83.868 6.135 -0.748 1.00 0.00 N ATOM 1013 CA LEU A 87 82.940 7.191 -1.113 1.00 0.00 C ATOM 1014 C LEU A 87 81.748 7.096 -0.176 1.00 0.00 C ATOM 1015 O LEU A 87 81.563 6.088 0.489 1.00 0.00 O ATOM 1016 CB LEU A 87 82.525 7.018 -2.585 1.00 0.00 C ATOM 1017 CG LEU A 87 83.316 7.970 -3.489 1.00 0.00 C ATOM 1018 CD1 LEU A 87 83.124 7.613 -4.969 1.00 0.00 C ATOM 1019 CD2 LEU A 87 82.991 9.440 -3.179 1.00 0.00 C ATOM 0 H LEU A 87 83.430 5.215 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 87 83.394 8.177 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 87 82.695 5.988 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 87 81.458 7.211 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 87 84.377 7.842 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 87 83.696 8.305 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 87 83.472 6.595 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 87 82.067 7.685 -5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 87 83.569 10.087 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 87 81.927 9.619 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 87 83.246 9.658 -2.142 1.00 0.00 H new ATOM 1031 N LYS A 88 80.982 8.206 -0.147 1.00 0.00 N ATOM 1032 CA LYS A 88 79.830 8.316 0.746 1.00 0.00 C ATOM 1033 C LYS A 88 78.599 8.726 -0.053 1.00 0.00 C ATOM 1034 O LYS A 88 78.662 9.587 -0.923 1.00 0.00 O ATOM 1035 CB LYS A 88 80.157 9.378 1.794 1.00 0.00 C ATOM 1036 CG LYS A 88 79.506 9.119 3.156 1.00 0.00 C ATOM 1037 CD LYS A 88 80.505 9.416 4.282 1.00 0.00 C ATOM 1038 CE LYS A 88 79.847 9.904 5.566 1.00 0.00 C ATOM 1039 NZ LYS A 88 80.758 10.823 6.233 1.00 0.00 N ATOM 0 H LYS A 88 81.145 9.027 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 88 79.621 7.361 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 88 81.238 9.429 1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 88 79.833 10.351 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 88 78.621 9.745 3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 88 79.174 8.083 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.077 8.513 4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.215 10.169 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 88 78.904 10.402 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.616 9.061 6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 80.323 11.166 7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 81.647 10.331 6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.956 11.630 5.608 1.00 0.00 H new ATOM 1053 N ILE A 89 77.483 8.050 0.296 1.00 0.00 N ATOM 1054 CA ILE A 89 76.237 8.241 -0.428 1.00 0.00 C ATOM 1055 C ILE A 89 75.272 9.005 0.500 1.00 0.00 C ATOM 1056 O ILE A 89 75.069 8.585 1.644 1.00 0.00 O ATOM 1057 CB ILE A 89 75.637 6.890 -0.846 1.00 0.00 C ATOM 1058 CG1 ILE A 89 76.719 5.959 -1.450 1.00 0.00 C ATOM 1059 CG2 ILE A 89 74.395 7.057 -1.743 1.00 0.00 C ATOM 1060 CD1 ILE A 89 76.466 5.583 -2.906 1.00 0.00 C ATOM 0 H ILE A 89 77.433 7.381 1.064 1.00 0.00 H new ATOM 0 HA ILE A 89 76.413 8.809 -1.341 1.00 0.00 H new ATOM 0 HB ILE A 89 75.274 6.392 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 89 77.690 6.449 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 89 76.775 5.048 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 89 74.006 6.075 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 89 73.629 7.615 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 89 74.670 7.599 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 89 77.265 4.931 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 89 75.511 5.063 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 89 76.440 6.486 -3.516 1.00 0.00 H new ATOM 1072 N PRO A 90 74.692 10.112 -0.049 1.00 0.00 N ATOM 1073 CA PRO A 90 73.709 10.927 0.670 1.00 0.00 C ATOM 1074 C PRO A 90 72.409 10.128 0.821 1.00 0.00 C ATOM 1075 O PRO A 90 72.238 9.066 0.233 1.00 0.00 O ATOM 1076 CB PRO A 90 73.503 12.170 -0.210 1.00 0.00 C ATOM 1077 CG PRO A 90 73.868 11.714 -1.614 1.00 0.00 C ATOM 1078 CD PRO A 90 74.916 10.614 -1.410 1.00 0.00 C ATOM 0 HA PRO A 90 74.032 11.206 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 90 72.472 12.522 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 90 74.137 12.995 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 90 72.995 11.335 -2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 90 74.269 12.537 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 90 74.800 9.819 -2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 90 75.926 11.008 -1.523 1.00 0.00 H new ATOM 1086 N GLU A 91 71.525 10.703 1.657 1.00 0.00 N ATOM 1087 CA GLU A 91 70.274 10.045 2.024 1.00 0.00 C ATOM 1088 C GLU A 91 69.350 9.737 0.820 1.00 0.00 C ATOM 1089 O GLU A 91 68.466 8.898 0.946 1.00 0.00 O ATOM 1090 CB GLU A 91 69.555 10.945 3.036 1.00 0.00 C ATOM 1091 CG GLU A 91 68.212 10.376 3.533 1.00 0.00 C ATOM 1092 CD GLU A 91 67.465 11.328 4.486 1.00 0.00 C ATOM 1093 OE1 GLU A 91 68.050 12.308 4.947 1.00 0.00 O ATOM 1094 OE2 GLU A 91 66.291 11.074 4.752 1.00 0.00 O ATOM 0 H GLU A 91 71.660 11.619 2.086 1.00 0.00 H new ATOM 0 HA GLU A 91 70.516 9.072 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 91 70.209 11.107 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 91 69.379 11.920 2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 91 67.576 10.160 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 91 68.392 9.430 4.043 1.00 0.00 H new ATOM 1101 N ASN A 92 69.561 10.436 -0.318 1.00 0.00 N ATOM 1102 CA ASN A 92 68.611 10.275 -1.435 1.00 0.00 C ATOM 1103 C ASN A 92 69.314 10.168 -2.790 1.00 0.00 C ATOM 1104 O ASN A 92 68.696 10.349 -3.834 1.00 0.00 O ATOM 1105 CB ASN A 92 67.616 11.445 -1.440 1.00 0.00 C ATOM 1106 CG ASN A 92 66.166 10.965 -1.609 1.00 0.00 C ATOM 1107 OD1 ASN A 92 65.309 11.238 -0.781 1.00 0.00 O ATOM 1108 ND2 ASN A 92 65.943 10.227 -2.716 1.00 0.00 N ATOM 0 H ASN A 92 70.334 11.081 -0.482 1.00 0.00 H new ATOM 0 HA ASN A 92 68.078 9.337 -1.281 1.00 0.00 H new ATOM 0 HB2 ASN A 92 67.707 12.003 -0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 92 67.867 12.132 -2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 92 65.011 9.858 -2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 92 66.707 10.038 -3.365 1.00 0.00 H new ATOM 1115 N ALA A 93 70.615 9.848 -2.723 1.00 0.00 N ATOM 1116 CA ALA A 93 71.330 9.614 -3.968 1.00 0.00 C ATOM 1117 C ALA A 93 70.879 8.269 -4.494 1.00 0.00 C ATOM 1118 O ALA A 93 71.150 7.238 -3.889 1.00 0.00 O ATOM 1119 CB ALA A 93 72.817 9.524 -3.674 1.00 0.00 C ATOM 0 H ALA A 93 71.161 9.751 -1.867 1.00 0.00 H new ATOM 0 HA ALA A 93 71.137 10.415 -4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 93 73.361 9.349 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 93 73.156 10.458 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 93 73.002 8.701 -2.984 1.00 0.00 H new ATOM 1125 N ASN A 94 70.212 8.353 -5.666 1.00 0.00 N ATOM 1126 CA ASN A 94 69.882 7.162 -6.427 1.00 0.00 C ATOM 1127 C ASN A 94 71.159 6.346 -6.563 1.00 0.00 C ATOM 1128 O ASN A 94 72.070 6.767 -7.266 1.00 0.00 O ATOM 1129 CB ASN A 94 69.392 7.609 -7.811 1.00 0.00 C ATOM 1130 CG ASN A 94 68.112 8.443 -7.677 1.00 0.00 C ATOM 1131 OD1 ASN A 94 67.179 8.090 -6.969 1.00 0.00 O ATOM 1132 ND2 ASN A 94 68.146 9.596 -8.369 1.00 0.00 N ATOM 0 H ASN A 94 69.902 9.228 -6.088 1.00 0.00 H new ATOM 0 HA ASN A 94 69.108 6.566 -5.944 1.00 0.00 H new ATOM 0 HB2 ASN A 94 70.166 8.195 -8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 94 69.202 6.737 -8.437 1.00 0.00 H new ATOM 0 HD21 ASN A 94 67.358 10.242 -8.323 1.00 0.00 H new ATOM 0 HD22 ASN A 94 68.960 9.824 -8.940 1.00 0.00 H new ATOM 1139 N VAL A 95 71.203 5.225 -5.805 1.00 0.00 N ATOM 1140 CA VAL A 95 72.417 4.407 -5.763 1.00 0.00 C ATOM 1141 C VAL A 95 72.889 4.127 -7.182 1.00 0.00 C ATOM 1142 O VAL A 95 74.043 4.375 -7.480 1.00 0.00 O ATOM 1143 CB VAL A 95 72.160 3.110 -4.992 1.00 0.00 C ATOM 1144 CG1 VAL A 95 73.270 2.037 -5.137 1.00 0.00 C ATOM 1145 CG2 VAL A 95 71.877 3.403 -3.506 1.00 0.00 C ATOM 0 H VAL A 95 70.431 4.882 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 95 73.204 4.949 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 95 71.276 2.673 -5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 95 73.001 1.154 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 95 73.376 1.763 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 95 74.214 2.439 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 95 71.697 2.466 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 95 72.736 3.909 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 95 70.997 4.041 -3.422 1.00 0.00 H new ATOM 1155 N PHE A 96 71.947 3.674 -8.034 1.00 0.00 N ATOM 1156 CA PHE A 96 72.294 3.379 -9.429 1.00 0.00 C ATOM 1157 C PHE A 96 73.110 4.525 -10.117 1.00 0.00 C ATOM 1158 O PHE A 96 73.974 4.295 -10.955 1.00 0.00 O ATOM 1159 CB PHE A 96 71.018 3.027 -10.214 1.00 0.00 C ATOM 1160 CG PHE A 96 71.267 2.189 -11.455 1.00 0.00 C ATOM 1161 CD1 PHE A 96 72.547 1.878 -11.916 1.00 0.00 C ATOM 1162 CD2 PHE A 96 70.180 1.700 -12.167 1.00 0.00 C ATOM 1163 CE1 PHE A 96 72.742 1.140 -13.068 1.00 0.00 C ATOM 1164 CE2 PHE A 96 70.369 0.932 -13.310 1.00 0.00 C ATOM 1165 CZ PHE A 96 71.651 0.659 -13.769 1.00 0.00 C ATOM 0 H PHE A 96 70.971 3.510 -7.787 1.00 0.00 H new ATOM 0 HA PHE A 96 72.961 2.517 -9.430 1.00 0.00 H new ATOM 0 HB2 PHE A 96 70.336 2.489 -9.556 1.00 0.00 H new ATOM 0 HB3 PHE A 96 70.517 3.950 -10.506 1.00 0.00 H new ATOM 0 HD1 PHE A 96 73.406 2.222 -11.359 1.00 0.00 H new ATOM 0 HD2 PHE A 96 69.178 1.919 -11.829 1.00 0.00 H new ATOM 0 HE1 PHE A 96 73.743 0.939 -13.420 1.00 0.00 H new ATOM 0 HE2 PHE A 96 69.514 0.545 -13.844 1.00 0.00 H new ATOM 0 HZ PHE A 96 71.795 0.076 -14.666 1.00 0.00 H new ATOM 1175 N TYR A 97 72.794 5.757 -9.691 1.00 0.00 N ATOM 1176 CA TYR A 97 73.416 6.954 -10.267 1.00 0.00 C ATOM 1177 C TYR A 97 74.560 7.572 -9.433 1.00 0.00 C ATOM 1178 O TYR A 97 75.251 8.449 -9.938 1.00 0.00 O ATOM 1179 CB TYR A 97 72.293 7.977 -10.478 1.00 0.00 C ATOM 1180 CG TYR A 97 71.496 7.695 -11.726 1.00 0.00 C ATOM 1181 CD1 TYR A 97 72.148 7.471 -12.933 1.00 0.00 C ATOM 1182 CD2 TYR A 97 70.105 7.661 -11.695 1.00 0.00 C ATOM 1183 CE1 TYR A 97 71.431 7.205 -14.087 1.00 0.00 C ATOM 1184 CE2 TYR A 97 69.379 7.406 -12.854 1.00 0.00 C ATOM 1185 CZ TYR A 97 70.045 7.175 -14.057 1.00 0.00 C ATOM 1186 OH TYR A 97 69.370 6.917 -15.234 1.00 0.00 O ATOM 0 H TYR A 97 72.115 5.948 -8.954 1.00 0.00 H new ATOM 0 HA TYR A 97 73.902 6.660 -11.197 1.00 0.00 H new ATOM 0 HB2 TYR A 97 71.628 7.968 -9.614 1.00 0.00 H new ATOM 0 HB3 TYR A 97 72.721 8.977 -10.540 1.00 0.00 H new ATOM 0 HD1 TYR A 97 73.227 7.505 -12.971 1.00 0.00 H new ATOM 0 HD2 TYR A 97 69.585 7.834 -10.764 1.00 0.00 H new ATOM 0 HE1 TYR A 97 71.953 7.020 -15.014 1.00 0.00 H new ATOM 0 HE2 TYR A 97 68.300 7.387 -12.822 1.00 0.00 H new ATOM 0 HH TYR A 97 68.405 6.925 -15.066 1.00 0.00 H new ATOM 1196 N ALA A 98 74.733 7.110 -8.178 1.00 0.00 N ATOM 1197 CA ALA A 98 75.700 7.773 -7.292 1.00 0.00 C ATOM 1198 C ALA A 98 77.073 7.094 -7.308 1.00 0.00 C ATOM 1199 O ALA A 98 78.088 7.768 -7.447 1.00 0.00 O ATOM 1200 CB ALA A 98 75.137 7.792 -5.880 1.00 0.00 C ATOM 0 H ALA A 98 74.238 6.316 -7.772 1.00 0.00 H new ATOM 0 HA ALA A 98 75.852 8.789 -7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 98 75.846 8.282 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 98 74.194 8.338 -5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 98 74.967 6.770 -5.542 1.00 0.00 H new ATOM 1206 N MET A 99 77.030 5.745 -7.160 1.00 0.00 N ATOM 1207 CA MET A 99 78.230 4.883 -7.155 1.00 0.00 C ATOM 1208 C MET A 99 79.214 5.367 -8.211 1.00 0.00 C ATOM 1209 O MET A 99 78.824 5.649 -9.342 1.00 0.00 O ATOM 1210 CB MET A 99 77.895 3.400 -7.460 1.00 0.00 C ATOM 1211 CG MET A 99 76.415 3.082 -7.339 1.00 0.00 C ATOM 1212 SD MET A 99 76.031 1.329 -7.412 1.00 0.00 S ATOM 1213 CE MET A 99 75.664 1.267 -9.164 1.00 0.00 C ATOM 0 H MET A 99 76.159 5.228 -7.041 1.00 0.00 H new ATOM 0 HA MET A 99 78.658 4.945 -6.154 1.00 0.00 H new ATOM 0 HB2 MET A 99 78.230 3.159 -8.469 1.00 0.00 H new ATOM 0 HB3 MET A 99 78.454 2.760 -6.777 1.00 0.00 H new ATOM 0 HG2 MET A 99 76.044 3.485 -6.397 1.00 0.00 H new ATOM 0 HG3 MET A 99 75.878 3.594 -8.138 1.00 0.00 H new ATOM 0 HE1 MET A 99 75.845 0.259 -9.538 1.00 0.00 H new ATOM 0 HE2 MET A 99 74.619 1.532 -9.326 1.00 0.00 H new ATOM 0 HE3 MET A 99 76.304 1.972 -9.695 1.00 0.00 H new ATOM 1223 N ASN A 100 80.486 5.458 -7.782 1.00 0.00 N ATOM 1224 CA ASN A 100 81.502 5.850 -8.749 1.00 0.00 C ATOM 1225 C ASN A 100 81.623 4.717 -9.766 1.00 0.00 C ATOM 1226 O ASN A 100 82.190 3.661 -9.448 1.00 0.00 O ATOM 1227 CB ASN A 100 82.827 6.098 -8.018 1.00 0.00 C ATOM 1228 CG ASN A 100 83.895 6.645 -8.962 1.00 0.00 C ATOM 1229 OD1 ASN A 100 83.645 6.900 -10.135 1.00 0.00 O ATOM 1230 ND2 ASN A 100 85.110 6.774 -8.395 1.00 0.00 N ATOM 0 H ASN A 100 80.812 5.277 -6.833 1.00 0.00 H new ATOM 0 HA ASN A 100 81.235 6.772 -9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 100 82.667 6.802 -7.202 1.00 0.00 H new ATOM 0 HB3 ASN A 100 83.177 5.167 -7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 100 85.899 7.104 -8.950 1.00 0.00 H new ATOM 0 HD22 ASN A 100 85.241 6.542 -7.410 1.00 0.00 H new ATOM 1237 N SER A 101 81.057 4.966 -10.960 1.00 0.00 N ATOM 1238 CA SER A 101 81.015 4.010 -12.072 1.00 0.00 C ATOM 1239 C SER A 101 82.356 3.281 -12.316 1.00 0.00 C ATOM 1240 O SER A 101 82.387 2.078 -12.553 1.00 0.00 O ATOM 1241 CB SER A 101 80.601 4.762 -13.343 1.00 0.00 C ATOM 1242 OG SER A 101 80.203 3.823 -14.334 1.00 0.00 O ATOM 0 H SER A 101 80.608 5.855 -11.180 1.00 0.00 H new ATOM 0 HA SER A 101 80.293 3.237 -11.808 1.00 0.00 H new ATOM 0 HB2 SER A 101 79.782 5.447 -13.124 1.00 0.00 H new ATOM 0 HB3 SER A 101 81.431 5.365 -13.710 1.00 0.00 H new ATOM 0 HG SER A 101 79.936 4.299 -15.148 1.00 0.00 H new ATOM 1248 N THR A 102 83.445 4.082 -12.220 1.00 0.00 N ATOM 1249 CA THR A 102 84.819 3.603 -12.444 1.00 0.00 C ATOM 1250 C THR A 102 85.296 2.524 -11.441 1.00 0.00 C ATOM 1251 O THR A 102 86.384 1.970 -11.568 1.00 0.00 O ATOM 1252 CB THR A 102 85.753 4.821 -12.381 1.00 0.00 C ATOM 1253 OG1 THR A 102 87.003 4.454 -12.955 1.00 0.00 O ATOM 1254 CG2 THR A 102 85.990 5.310 -10.946 1.00 0.00 C ATOM 0 H THR A 102 83.390 5.073 -11.986 1.00 0.00 H new ATOM 0 HA THR A 102 84.839 3.115 -13.418 1.00 0.00 H new ATOM 0 HB THR A 102 85.280 5.637 -12.928 1.00 0.00 H new ATOM 0 HG1 THR A 102 87.222 3.534 -12.700 1.00 0.00 H new ATOM 0 HG21 THR A 102 86.657 6.172 -10.961 1.00 0.00 H new ATOM 0 HG22 THR A 102 85.039 5.595 -10.497 1.00 0.00 H new ATOM 0 HG23 THR A 102 86.443 4.511 -10.359 1.00 0.00 H new ATOM 1262 N ALA A 103 84.439 2.290 -10.437 1.00 0.00 N ATOM 1263 CA ALA A 103 84.671 1.384 -9.348 1.00 0.00 C ATOM 1264 C ALA A 103 83.524 0.381 -9.291 1.00 0.00 C ATOM 1265 O ALA A 103 82.392 0.659 -9.670 1.00 0.00 O ATOM 1266 CB ALA A 103 84.725 2.181 -8.053 1.00 0.00 C ATOM 0 H ALA A 103 83.533 2.756 -10.377 1.00 0.00 H new ATOM 0 HA ALA A 103 85.612 0.852 -9.487 1.00 0.00 H new ATOM 0 HB1 ALA A 103 84.901 1.505 -7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 103 85.534 2.909 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 103 83.778 2.701 -7.906 1.00 0.00 H new ATOM 1272 N ASN A 104 83.923 -0.786 -8.754 1.00 0.00 N ATOM 1273 CA ASN A 104 83.003 -1.874 -8.442 1.00 0.00 C ATOM 1274 C ASN A 104 81.849 -1.369 -7.552 1.00 0.00 C ATOM 1275 O ASN A 104 81.974 -0.374 -6.846 1.00 0.00 O ATOM 1276 CB ASN A 104 83.798 -3.037 -7.802 1.00 0.00 C ATOM 1277 CG ASN A 104 84.795 -2.657 -6.683 1.00 0.00 C ATOM 1278 OD1 ASN A 104 85.725 -3.397 -6.389 1.00 0.00 O ATOM 1279 ND2 ASN A 104 84.574 -1.482 -6.083 1.00 0.00 N ATOM 0 H ASN A 104 84.896 -0.993 -8.527 1.00 0.00 H new ATOM 0 HA ASN A 104 82.538 -2.251 -9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 104 83.085 -3.754 -7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 104 84.349 -3.548 -8.591 1.00 0.00 H new ATOM 0 HD21 ASN A 104 85.197 -1.163 -5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 104 83.783 -0.905 -6.368 1.00 0.00 H new ATOM 1286 N TYR A 105 80.719 -2.093 -7.644 1.00 0.00 N ATOM 1287 CA TYR A 105 79.543 -1.715 -6.869 1.00 0.00 C ATOM 1288 C TYR A 105 79.606 -2.295 -5.453 1.00 0.00 C ATOM 1289 O TYR A 105 78.678 -2.963 -5.013 1.00 0.00 O ATOM 1290 CB TYR A 105 78.315 -2.254 -7.605 1.00 0.00 C ATOM 1291 CG TYR A 105 78.253 -1.745 -9.018 1.00 0.00 C ATOM 1292 CD1 TYR A 105 78.294 -0.382 -9.273 1.00 0.00 C ATOM 1293 CD2 TYR A 105 78.164 -2.630 -10.085 1.00 0.00 C ATOM 1294 CE1 TYR A 105 78.243 0.093 -10.576 1.00 0.00 C ATOM 1295 CE2 TYR A 105 78.107 -2.160 -11.391 1.00 0.00 C ATOM 1296 CZ TYR A 105 78.141 -0.789 -11.639 1.00 0.00 C ATOM 1297 OH TYR A 105 78.069 -0.270 -12.917 1.00 0.00 O ATOM 0 H TYR A 105 80.604 -2.919 -8.232 1.00 0.00 H new ATOM 0 HA TYR A 105 79.494 -0.630 -6.773 1.00 0.00 H new ATOM 0 HB2 TYR A 105 78.342 -3.344 -7.610 1.00 0.00 H new ATOM 0 HB3 TYR A 105 77.411 -1.960 -7.071 1.00 0.00 H new ATOM 0 HD1 TYR A 105 78.366 0.315 -8.451 1.00 0.00 H new ATOM 0 HD2 TYR A 105 78.139 -3.693 -9.897 1.00 0.00 H new ATOM 0 HE1 TYR A 105 78.283 1.156 -10.762 1.00 0.00 H new ATOM 0 HE2 TYR A 105 78.036 -2.856 -12.213 1.00 0.00 H new ATOM 0 HH TYR A 105 78.002 -1.003 -13.564 1.00 0.00 H new ATOM 1307 N ASP A 106 80.739 -2.010 -4.770 1.00 0.00 N ATOM 1308 CA ASP A 106 80.931 -2.546 -3.431 1.00 0.00 C ATOM 1309 C ASP A 106 80.513 -1.434 -2.474 1.00 0.00 C ATOM 1310 O ASP A 106 80.717 -0.264 -2.760 1.00 0.00 O ATOM 1311 CB ASP A 106 82.415 -2.900 -3.264 1.00 0.00 C ATOM 1312 CG ASP A 106 82.928 -3.947 -4.279 1.00 0.00 C ATOM 1313 OD1 ASP A 106 82.191 -4.351 -5.180 1.00 0.00 O ATOM 1314 OD2 ASP A 106 84.082 -4.349 -4.152 1.00 0.00 O ATOM 0 H ASP A 106 81.502 -1.431 -5.121 1.00 0.00 H new ATOM 0 HA ASP A 106 80.348 -3.447 -3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 106 83.008 -1.991 -3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 106 82.577 -3.278 -2.254 1.00 0.00 H new ATOM 1319 N PHE A 107 79.873 -1.855 -1.368 1.00 0.00 N ATOM 1320 CA PHE A 107 79.218 -0.926 -0.457 1.00 0.00 C ATOM 1321 C PHE A 107 79.467 -1.391 0.980 1.00 0.00 C ATOM 1322 O PHE A 107 79.431 -2.574 1.269 1.00 0.00 O ATOM 1323 CB PHE A 107 77.707 -0.830 -0.765 1.00 0.00 C ATOM 1324 CG PHE A 107 77.467 0.010 -1.982 1.00 0.00 C ATOM 1325 CD1 PHE A 107 77.458 -0.564 -3.247 1.00 0.00 C ATOM 1326 CD2 PHE A 107 77.270 1.375 -1.857 1.00 0.00 C ATOM 1327 CE1 PHE A 107 77.270 0.215 -4.378 1.00 0.00 C ATOM 1328 CE2 PHE A 107 77.060 2.146 -2.978 1.00 0.00 C ATOM 1329 CZ PHE A 107 77.059 1.575 -4.235 1.00 0.00 C ATOM 0 H PHE A 107 79.801 -2.834 -1.092 1.00 0.00 H new ATOM 0 HA PHE A 107 79.634 0.073 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 107 77.298 -1.829 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 107 77.183 -0.400 0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 107 77.599 -1.630 -3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 107 77.281 1.835 -0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 107 77.288 -0.235 -5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 107 76.894 3.208 -2.873 1.00 0.00 H new ATOM 0 HZ PHE A 107 76.893 2.190 -5.107 1.00 0.00 H new ATOM 1339 N VAL A 108 79.738 -0.406 1.860 1.00 0.00 N ATOM 1340 CA VAL A 108 79.913 -0.653 3.283 1.00 0.00 C ATOM 1341 C VAL A 108 78.701 -0.042 3.978 1.00 0.00 C ATOM 1342 O VAL A 108 78.199 1.006 3.593 1.00 0.00 O ATOM 1343 CB VAL A 108 81.223 -0.012 3.779 1.00 0.00 C ATOM 1344 CG1 VAL A 108 81.709 -0.619 5.103 1.00 0.00 C ATOM 1345 CG2 VAL A 108 82.311 -0.166 2.724 1.00 0.00 C ATOM 0 H VAL A 108 79.839 0.574 1.594 1.00 0.00 H new ATOM 0 HA VAL A 108 79.983 -1.719 3.499 1.00 0.00 H new ATOM 0 HB VAL A 108 81.014 1.043 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 108 82.635 -0.132 5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 108 80.951 -0.470 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 108 81.887 -1.686 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 108 83.233 0.290 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 108 82.482 -1.225 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 108 81.997 0.326 1.803 1.00 0.00 H new ATOM 1355 N LEU A 109 78.265 -0.781 5.005 1.00 0.00 N ATOM 1356 CA LEU A 109 77.137 -0.374 5.818 1.00 0.00 C ATOM 1357 C LEU A 109 77.680 -0.092 7.217 1.00 0.00 C ATOM 1358 O LEU A 109 78.061 -1.000 7.945 1.00 0.00 O ATOM 1359 CB LEU A 109 76.146 -1.540 5.864 1.00 0.00 C ATOM 1360 CG LEU A 109 74.877 -1.227 6.667 1.00 0.00 C ATOM 1361 CD1 LEU A 109 74.040 -0.171 5.961 1.00 0.00 C ATOM 1362 CD2 LEU A 109 74.025 -2.478 6.931 1.00 0.00 C ATOM 0 H LEU A 109 78.686 -1.667 5.285 1.00 0.00 H new ATOM 0 HA LEU A 109 76.636 0.509 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 109 75.866 -1.810 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 109 76.638 -2.409 6.300 1.00 0.00 H new ATOM 0 HG LEU A 109 75.206 -0.843 7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 109 73.145 0.036 6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 109 74.623 0.744 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 109 73.751 -0.535 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 109 73.139 -2.201 7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 109 73.721 -2.918 5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 109 74.610 -3.204 7.497 1.00 0.00 H new ATOM 1374 N LYS A 110 77.686 1.214 7.540 1.00 0.00 N ATOM 1375 CA LYS A 110 78.240 1.653 8.815 1.00 0.00 C ATOM 1376 C LYS A 110 77.142 2.297 9.630 1.00 0.00 C ATOM 1377 O LYS A 110 76.249 2.915 9.077 1.00 0.00 O ATOM 1378 CB LYS A 110 79.343 2.672 8.537 1.00 0.00 C ATOM 1379 CG LYS A 110 80.672 2.341 9.199 1.00 0.00 C ATOM 1380 CD LYS A 110 81.614 1.646 8.200 1.00 0.00 C ATOM 1381 CE LYS A 110 82.814 2.515 7.834 1.00 0.00 C ATOM 1382 NZ LYS A 110 83.997 1.982 8.492 1.00 0.00 N ATOM 0 H LYS A 110 77.322 1.960 6.947 1.00 0.00 H new ATOM 0 HA LYS A 110 78.650 0.807 9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 110 79.493 2.745 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 110 79.012 3.653 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 110 81.137 3.254 9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 110 80.505 1.694 10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 110 81.965 0.707 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 110 81.060 1.396 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 110 82.956 2.526 6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 110 82.642 3.546 8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 84.822 2.567 8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 83.856 1.993 9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 84.160 1.005 8.175 1.00 0.00 H new ATOM 1396 N LYS A 111 77.246 2.120 10.958 1.00 0.00 N ATOM 1397 CA LYS A 111 76.249 2.703 11.851 1.00 0.00 C ATOM 1398 C LYS A 111 76.652 4.139 12.170 1.00 0.00 C ATOM 1399 O LYS A 111 77.819 4.496 12.058 1.00 0.00 O ATOM 1400 CB LYS A 111 76.175 1.831 13.107 1.00 0.00 C ATOM 1401 CG LYS A 111 74.787 1.852 13.760 1.00 0.00 C ATOM 1402 CD LYS A 111 74.583 3.056 14.679 1.00 0.00 C ATOM 1403 CE LYS A 111 73.910 2.676 15.988 1.00 0.00 C ATOM 1404 NZ LYS A 111 74.002 3.758 16.951 1.00 0.00 N ATOM 0 H LYS A 111 77.988 1.594 11.419 1.00 0.00 H new ATOM 0 HA LYS A 111 75.261 2.733 11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 111 76.435 0.805 12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 111 76.917 2.175 13.828 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.024 1.862 12.981 1.00 0.00 H new ATOM 0 HG3 LYS A 111 74.646 0.935 14.333 1.00 0.00 H new ATOM 0 HD2 LYS A 111 75.548 3.517 14.890 1.00 0.00 H new ATOM 0 HD3 LYS A 111 73.978 3.803 14.166 1.00 0.00 H new ATOM 0 HE2 LYS A 111 72.863 2.434 15.806 1.00 0.00 H new ATOM 0 HE3 LYS A 111 74.378 1.780 16.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 74.059 3.364 17.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 74.853 4.323 16.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 73.160 4.363 16.875 1.00 0.00 H new ATOM 1418 N ARG A 112 75.628 4.940 12.556 1.00 0.00 N ATOM 1419 CA ARG A 112 75.833 6.345 12.908 1.00 0.00 C ATOM 1420 C ARG A 112 76.370 6.494 14.351 1.00 0.00 C ATOM 1421 O ARG A 112 75.879 7.291 15.143 1.00 0.00 O ATOM 1422 CB ARG A 112 74.508 7.110 12.742 1.00 0.00 C ATOM 1423 CG ARG A 112 74.732 8.594 12.395 1.00 0.00 C ATOM 1424 CD ARG A 112 74.442 9.572 13.549 1.00 0.00 C ATOM 1425 NE ARG A 112 73.125 10.154 13.304 1.00 0.00 N ATOM 1426 CZ ARG A 112 72.151 10.005 14.226 1.00 0.00 C ATOM 1427 NH1 ARG A 112 72.279 10.538 15.436 1.00 0.00 N ATOM 1428 NH2 ARG A 112 71.064 9.314 13.910 1.00 0.00 N ATOM 0 H ARG A 112 74.660 4.627 12.628 1.00 0.00 H new ATOM 0 HA ARG A 112 76.583 6.766 12.238 1.00 0.00 H new ATOM 0 HB2 ARG A 112 73.915 6.641 11.957 1.00 0.00 H new ATOM 0 HB3 ARG A 112 73.931 7.037 13.664 1.00 0.00 H new ATOM 0 HG2 ARG A 112 75.765 8.727 12.074 1.00 0.00 H new ATOM 0 HG3 ARG A 112 74.099 8.855 11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 112 74.460 9.052 14.507 1.00 0.00 H new ATOM 0 HD3 ARG A 112 75.204 10.350 13.594 1.00 0.00 H new ATOM 0 HE ARG A 112 72.943 10.669 12.443 1.00 0.00 H new ATOM 0 HH11 ARG A 112 73.119 11.065 15.675 1.00 0.00 H new ATOM 0 HH12 ARG A 112 71.537 10.420 16.126 1.00 0.00 H new ATOM 0 HH21 ARG A 112 70.973 8.904 12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 112 70.319 9.193 14.596 1.00 0.00 H new ATOM 1442 N THR A 113 77.398 5.678 14.629 1.00 0.00 N ATOM 1443 CA THR A 113 78.052 5.647 15.929 1.00 0.00 C ATOM 1444 C THR A 113 79.321 6.498 15.850 1.00 0.00 C ATOM 1445 O THR A 113 79.997 6.547 14.825 1.00 0.00 O ATOM 1446 CB THR A 113 78.384 4.177 16.255 1.00 0.00 C ATOM 1447 OG1 THR A 113 77.214 3.422 16.484 1.00 0.00 O ATOM 1448 CG2 THR A 113 79.338 4.034 17.448 1.00 0.00 C ATOM 0 H THR A 113 77.793 5.024 13.953 1.00 0.00 H new ATOM 0 HA THR A 113 77.414 6.050 16.715 1.00 0.00 H new ATOM 0 HB THR A 113 78.894 3.784 15.375 1.00 0.00 H new ATOM 0 HG1 THR A 113 77.458 2.495 16.686 1.00 0.00 H new ATOM 0 HG21 THR A 113 79.536 2.978 17.631 1.00 0.00 H new ATOM 0 HG22 THR A 113 80.275 4.546 17.228 1.00 0.00 H new ATOM 0 HG23 THR A 113 78.882 4.476 18.334 1.00 0.00 H new ATOM 1456 N PHE A 114 79.590 7.166 16.996 1.00 0.00 N ATOM 1457 CA PHE A 114 80.749 8.049 17.052 1.00 0.00 C ATOM 1458 C PHE A 114 81.066 8.414 18.512 1.00 0.00 C ATOM 1459 O PHE A 114 80.587 9.419 19.028 1.00 0.00 O ATOM 1460 CB PHE A 114 80.434 9.318 16.241 1.00 0.00 C ATOM 1461 CG PHE A 114 81.693 10.042 15.857 1.00 0.00 C ATOM 1462 CD1 PHE A 114 82.489 9.541 14.834 1.00 0.00 C ATOM 1463 CD2 PHE A 114 82.072 11.208 16.510 1.00 0.00 C ATOM 1464 CE1 PHE A 114 83.653 10.199 14.465 1.00 0.00 C ATOM 1465 CE2 PHE A 114 83.234 11.869 16.143 1.00 0.00 C ATOM 1466 CZ PHE A 114 84.028 11.366 15.117 1.00 0.00 C ATOM 0 H PHE A 114 79.040 7.108 17.853 1.00 0.00 H new ATOM 0 HA PHE A 114 81.620 7.548 16.631 1.00 0.00 H new ATOM 0 HB2 PHE A 114 79.877 9.050 15.343 1.00 0.00 H new ATOM 0 HB3 PHE A 114 79.796 9.979 16.827 1.00 0.00 H new ATOM 0 HD1 PHE A 114 82.200 8.634 14.323 1.00 0.00 H new ATOM 0 HD2 PHE A 114 81.459 11.601 17.307 1.00 0.00 H new ATOM 0 HE1 PHE A 114 84.268 9.803 13.670 1.00 0.00 H new ATOM 0 HE2 PHE A 114 83.523 12.775 16.654 1.00 0.00 H new ATOM 0 HZ PHE A 114 84.932 11.881 14.829 1.00 0.00 H new ATOM 1476 N THR A 115 81.907 7.554 19.137 1.00 0.00 N ATOM 1477 CA THR A 115 82.270 7.753 20.546 1.00 0.00 C ATOM 1478 C THR A 115 83.799 7.906 20.713 1.00 0.00 C ATOM 1479 O THR A 115 84.531 7.760 19.731 1.00 0.00 O ATOM 1480 CB THR A 115 81.711 6.588 21.390 1.00 0.00 C ATOM 1481 OG1 THR A 115 80.502 6.114 20.805 1.00 0.00 O ATOM 1482 CG2 THR A 115 81.356 7.048 22.810 1.00 0.00 C ATOM 1483 OXT THR A 115 84.243 8.173 21.829 1.00 0.00 O ATOM 0 H THR A 115 82.333 6.739 18.695 1.00 0.00 H new ATOM 0 HA THR A 115 81.824 8.681 20.903 1.00 0.00 H new ATOM 0 HB THR A 115 82.479 5.816 21.424 1.00 0.00 H new ATOM 0 HG1 THR A 115 80.148 5.373 21.340 1.00 0.00 H new ATOM 0 HG21 THR A 115 80.965 6.204 23.379 1.00 0.00 H new ATOM 0 HG22 THR A 115 82.249 7.434 23.301 1.00 0.00 H new ATOM 0 HG23 THR A 115 80.601 7.833 22.760 1.00 0.00 H new TER 1491 THR A 115