USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 513 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 13 TYR OH : rot -178:sc= -5.15! USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -3.95! C(o=-12!,f=-9.1!) USER MOD Single : A 1 SER N :NH3+ -117:sc= 0.317 (180deg=0.0124) USER MOD Single : A 1 SER OG : rot 180:sc= 0.121 USER MOD Single : A 4 GLN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 10:sc= -5.97! USER MOD Single : A 15 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.046) USER MOD Single : A 17 ASN :FLIP amide:sc= -2.76! C(o=-7.1!,f=-2.8!) USER MOD Single : A 20 SER OG : rot 64:sc= 0.0658 USER MOD Single : A 24 ASN : amide:sc= -1.53! C(o=-1.5!,f=-2.6!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0863 F(o=-1.5,f=-0.086) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.073 USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= 0.00229 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.463 F(o=-1.2,f=-0.46) USER MOD Single : A 38 THR OG1 : rot 57:sc= -3.62! USER MOD Single : A 39 SER OG : rot 117:sc= -0.452 USER MOD Single : A 57 THR OG1 : rot -90:sc= -5.95! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 146:sc= -9.77! (180deg=-13.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.595 -0.841 -1.875 1.00 0.00 N ATOM 2 CA SER A 1 13.631 -1.970 -1.808 1.00 0.00 C ATOM 3 C SER A 1 13.707 -2.682 -0.461 1.00 0.00 C ATOM 4 O SER A 1 14.364 -2.207 0.467 1.00 0.00 O ATOM 5 CB SER A 1 13.947 -2.949 -2.940 1.00 0.00 C ATOM 6 OG SER A 1 14.470 -2.271 -4.070 1.00 0.00 O ATOM 0 H1 SER A 1 14.075 0.053 -1.985 1.00 0.00 H new ATOM 0 H2 SER A 1 15.155 -0.810 -0.999 1.00 0.00 H new ATOM 0 H3 SER A 1 15.230 -0.975 -2.688 1.00 0.00 H new ATOM 0 HA SER A 1 12.618 -1.582 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.665 -3.692 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.043 -3.488 -3.222 1.00 0.00 H new ATOM 0 HG SER A 1 14.665 -2.919 -4.779 1.00 0.00 H new ATOM 14 N ALA A 2 13.032 -3.821 -0.359 1.00 0.00 N ATOM 15 CA ALA A 2 13.022 -4.597 0.874 1.00 0.00 C ATOM 16 C ALA A 2 12.965 -6.092 0.583 1.00 0.00 C ATOM 17 O ALA A 2 12.504 -6.511 -0.478 1.00 0.00 O ATOM 18 CB ALA A 2 11.849 -4.182 1.748 1.00 0.00 C ATOM 0 H ALA A 2 12.484 -4.228 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 2 13.950 -4.394 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.853 -4.770 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.935 -3.124 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.916 -4.355 1.211 1.00 0.00 H new ATOM 24 N ASP A 3 13.435 -6.893 1.533 1.00 0.00 N ATOM 25 CA ASP A 3 13.435 -8.343 1.379 1.00 0.00 C ATOM 26 C ASP A 3 12.383 -8.984 2.277 1.00 0.00 C ATOM 27 O ASP A 3 11.737 -9.961 1.896 1.00 0.00 O ATOM 28 CB ASP A 3 14.817 -8.911 1.707 1.00 0.00 C ATOM 29 CG ASP A 3 15.905 -8.329 0.826 1.00 0.00 C ATOM 30 OD1 ASP A 3 16.393 -7.222 1.137 1.00 0.00 O ATOM 31 OD2 ASP A 3 16.268 -8.980 -0.177 1.00 0.00 O ATOM 0 H ASP A 3 13.821 -6.563 2.418 1.00 0.00 H new ATOM 0 HA ASP A 3 13.192 -8.574 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.052 -8.708 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.799 -9.994 1.589 1.00 0.00 H new ATOM 36 N GLN A 4 12.214 -8.426 3.472 1.00 0.00 N ATOM 37 CA GLN A 4 11.239 -8.939 4.426 1.00 0.00 C ATOM 38 C GLN A 4 10.419 -7.801 5.026 1.00 0.00 C ATOM 39 O GLN A 4 10.824 -7.180 6.008 1.00 0.00 O ATOM 40 CB GLN A 4 11.944 -9.719 5.538 1.00 0.00 C ATOM 41 CG GLN A 4 12.924 -10.759 5.023 1.00 0.00 C ATOM 42 CD GLN A 4 13.855 -11.269 6.105 1.00 0.00 C ATOM 43 OE1 GLN A 4 15.037 -11.513 5.860 1.00 0.00 O ATOM 44 NE2 GLN A 4 13.326 -11.435 7.311 1.00 0.00 N ATOM 0 H GLN A 4 12.741 -7.617 3.802 1.00 0.00 H new ATOM 0 HA GLN A 4 10.564 -9.610 3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.476 -9.018 6.181 1.00 0.00 H new ATOM 0 HB3 GLN A 4 11.194 -10.213 6.156 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.370 -11.597 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.514 -10.328 4.215 1.00 0.00 H new ATOM 0 HE21 GLN A 4 12.342 -11.220 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 4 13.904 -11.777 8.079 1.00 0.00 H new ATOM 53 N PRO A 5 9.250 -7.516 4.435 1.00 0.00 N ATOM 54 CA PRO A 5 8.361 -6.447 4.904 1.00 0.00 C ATOM 55 C PRO A 5 8.020 -6.579 6.384 1.00 0.00 C ATOM 56 O PRO A 5 7.136 -7.346 6.762 1.00 0.00 O ATOM 57 CB PRO A 5 7.106 -6.633 4.046 1.00 0.00 C ATOM 58 CG PRO A 5 7.596 -7.301 2.811 1.00 0.00 C ATOM 59 CD PRO A 5 8.701 -8.213 3.259 1.00 0.00 C ATOM 0 HA PRO A 5 8.820 -5.463 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.361 -7.242 4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.634 -5.677 3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.797 -7.862 2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.959 -6.571 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.327 -9.204 3.516 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.453 -8.347 2.482 1.00 0.00 H new ATOM 67 N LYS A 6 8.729 -5.823 7.217 1.00 0.00 N ATOM 68 CA LYS A 6 8.501 -5.854 8.658 1.00 0.00 C ATOM 69 C LYS A 6 7.240 -5.077 9.024 1.00 0.00 C ATOM 70 O LYS A 6 6.455 -4.702 8.153 1.00 0.00 O ATOM 71 CB LYS A 6 9.705 -5.270 9.399 1.00 0.00 C ATOM 72 CG LYS A 6 10.634 -6.324 9.978 1.00 0.00 C ATOM 73 CD LYS A 6 11.725 -5.696 10.829 1.00 0.00 C ATOM 74 CE LYS A 6 13.028 -6.472 10.726 1.00 0.00 C ATOM 75 NZ LYS A 6 14.036 -5.759 9.894 1.00 0.00 N ATOM 0 H LYS A 6 9.465 -5.182 6.920 1.00 0.00 H new ATOM 0 HA LYS A 6 8.368 -6.893 8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.270 -4.637 8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.349 -4.629 10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.059 -7.026 10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.087 -6.896 9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.888 -4.666 10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.402 -5.662 11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.433 -6.636 11.725 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.832 -7.454 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.910 -6.322 9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.661 -5.625 8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.243 -4.832 10.318 1.00 0.00 H new ATOM 89 N GLU A 7 7.052 -4.841 10.318 1.00 0.00 N ATOM 90 CA GLU A 7 5.887 -4.109 10.799 1.00 0.00 C ATOM 91 C GLU A 7 5.945 -2.648 10.365 1.00 0.00 C ATOM 92 O GLU A 7 5.946 -1.742 11.198 1.00 0.00 O ATOM 93 CB GLU A 7 5.798 -4.196 12.324 1.00 0.00 C ATOM 94 CG GLU A 7 7.050 -3.706 13.035 1.00 0.00 C ATOM 95 CD GLU A 7 6.735 -2.941 14.305 1.00 0.00 C ATOM 96 OE1 GLU A 7 5.540 -2.829 14.651 1.00 0.00 O ATOM 97 OE2 GLU A 7 7.684 -2.454 14.955 1.00 0.00 O ATOM 0 H GLU A 7 7.691 -5.146 11.052 1.00 0.00 H new ATOM 0 HA GLU A 7 4.998 -4.564 10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.944 -3.610 12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.609 -5.231 12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.684 -4.559 13.276 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.620 -3.066 12.361 1.00 0.00 H new ATOM 104 N GLU A 8 5.990 -2.426 9.056 1.00 0.00 N ATOM 105 CA GLU A 8 6.046 -1.075 8.511 1.00 0.00 C ATOM 106 C GLU A 8 4.649 -0.571 8.165 1.00 0.00 C ATOM 107 O GLU A 8 4.096 -0.919 7.122 1.00 0.00 O ATOM 108 CB GLU A 8 6.935 -1.040 7.267 1.00 0.00 C ATOM 109 CG GLU A 8 8.129 -1.979 7.345 1.00 0.00 C ATOM 110 CD GLU A 8 9.446 -1.238 7.470 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.533 -0.095 6.975 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.389 -1.800 8.064 1.00 0.00 O ATOM 0 H GLU A 8 5.989 -3.165 8.353 1.00 0.00 H new ATOM 0 HA GLU A 8 6.472 -0.421 9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.335 -1.300 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.293 -0.022 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.008 -2.644 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.152 -2.606 6.454 1.00 0.00 H new ATOM 119 N LYS A 9 4.084 0.248 9.047 1.00 0.00 N ATOM 120 CA LYS A 9 2.751 0.798 8.831 1.00 0.00 C ATOM 121 C LYS A 9 2.804 2.310 8.647 1.00 0.00 C ATOM 122 O LYS A 9 3.212 3.046 9.544 1.00 0.00 O ATOM 123 CB LYS A 9 1.823 0.433 9.997 1.00 0.00 C ATOM 124 CG LYS A 9 1.762 1.483 11.096 1.00 0.00 C ATOM 125 CD LYS A 9 0.798 2.605 10.745 1.00 0.00 C ATOM 126 CE LYS A 9 1.288 3.945 11.273 1.00 0.00 C ATOM 127 NZ LYS A 9 0.233 4.655 12.047 1.00 0.00 N ATOM 0 H LYS A 9 4.528 0.545 9.916 1.00 0.00 H new ATOM 0 HA LYS A 9 2.351 0.360 7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.817 0.270 9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.155 -0.511 10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.452 1.015 12.030 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.757 1.896 11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.680 2.660 9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.185 2.386 11.162 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.160 3.788 11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.608 4.569 10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.606 5.563 12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.590 4.827 11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.055 4.071 12.858 1.00 0.00 H new ATOM 141 N LYS A 10 2.374 2.759 7.477 1.00 0.00 N ATOM 142 CA LYS A 10 2.346 4.176 7.156 1.00 0.00 C ATOM 143 C LYS A 10 0.965 4.547 6.649 1.00 0.00 C ATOM 144 O LYS A 10 -0.010 3.854 6.935 1.00 0.00 O ATOM 145 CB LYS A 10 3.407 4.516 6.102 1.00 0.00 C ATOM 146 CG LYS A 10 4.374 5.596 6.550 1.00 0.00 C ATOM 147 CD LYS A 10 4.792 5.390 7.995 1.00 0.00 C ATOM 148 CE LYS A 10 6.228 5.827 8.229 1.00 0.00 C ATOM 149 NZ LYS A 10 6.390 6.532 9.531 1.00 0.00 N ATOM 0 H LYS A 10 2.037 2.154 6.728 1.00 0.00 H new ATOM 0 HA LYS A 10 2.570 4.748 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.968 3.614 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.910 4.840 5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.255 5.588 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.908 6.575 6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.128 5.954 8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.683 4.338 8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.881 4.955 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.544 6.484 7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.384 6.813 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.786 7.379 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.113 5.897 10.307 1.00 0.00 H new ATOM 163 N GLU A 11 0.875 5.623 5.884 1.00 0.00 N ATOM 164 CA GLU A 11 -0.404 6.039 5.341 1.00 0.00 C ATOM 165 C GLU A 11 -0.612 5.420 3.967 1.00 0.00 C ATOM 166 O GLU A 11 0.280 5.464 3.117 1.00 0.00 O ATOM 167 CB GLU A 11 -0.483 7.562 5.254 1.00 0.00 C ATOM 168 CG GLU A 11 -0.054 8.269 6.530 1.00 0.00 C ATOM 169 CD GLU A 11 0.975 9.354 6.277 1.00 0.00 C ATOM 170 OE1 GLU A 11 1.952 9.085 5.549 1.00 0.00 O ATOM 171 OE2 GLU A 11 0.802 10.470 6.808 1.00 0.00 O ATOM 0 H GLU A 11 1.664 6.217 5.628 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.194 5.694 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.145 7.903 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.506 7.851 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.929 8.708 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.358 7.538 7.225 1.00 0.00 H new ATOM 178 N CYS A 12 -1.792 4.849 3.745 1.00 0.00 N ATOM 179 CA CYS A 12 -2.095 4.242 2.466 1.00 0.00 C ATOM 180 C CYS A 12 -2.312 5.342 1.450 1.00 0.00 C ATOM 181 O CYS A 12 -2.407 6.506 1.821 1.00 0.00 O ATOM 182 CB CYS A 12 -3.333 3.352 2.575 1.00 0.00 C ATOM 183 SG CYS A 12 -3.540 2.194 1.195 1.00 0.00 S ATOM 0 H CYS A 12 -2.544 4.797 4.432 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.264 3.612 2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.279 2.786 3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.218 3.986 2.639 1.00 0.00 H new ATOM 188 N TYR A 13 -2.381 4.989 0.178 1.00 0.00 N ATOM 189 CA TYR A 13 -2.576 5.984 -0.867 1.00 0.00 C ATOM 190 C TYR A 13 -3.294 5.367 -2.070 1.00 0.00 C ATOM 191 O TYR A 13 -2.935 4.281 -2.523 1.00 0.00 O ATOM 192 CB TYR A 13 -1.225 6.572 -1.273 1.00 0.00 C ATOM 193 CG TYR A 13 -0.779 7.741 -0.412 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.343 7.528 0.883 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.800 9.054 -0.882 1.00 0.00 C ATOM 196 CE1 TYR A 13 0.059 8.576 1.686 1.00 0.00 C ATOM 197 CE2 TYR A 13 -0.406 10.104 -0.087 1.00 0.00 C ATOM 198 CZ TYR A 13 0.023 9.863 1.197 1.00 0.00 C ATOM 199 OH TYR A 13 0.404 10.912 1.999 1.00 0.00 O ATOM 0 H TYR A 13 -2.306 4.028 -0.157 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.205 6.788 -0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.469 5.788 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.279 6.898 -2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.317 6.522 1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.132 9.250 -1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.400 8.388 2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.433 11.114 -0.469 1.00 0.00 H new ATOM 0 HH TYR A 13 0.290 11.755 1.512 1.00 0.00 H new ATOM 209 N TYR A 14 -4.332 6.049 -2.562 1.00 0.00 N ATOM 210 CA TYR A 14 -5.114 5.538 -3.689 1.00 0.00 C ATOM 211 C TYR A 14 -5.040 6.451 -4.926 1.00 0.00 C ATOM 212 O TYR A 14 -4.737 5.991 -6.025 1.00 0.00 O ATOM 213 CB TYR A 14 -6.568 5.361 -3.265 1.00 0.00 C ATOM 214 CG TYR A 14 -6.798 4.243 -2.270 1.00 0.00 C ATOM 215 CD1 TYR A 14 -6.122 4.207 -1.055 1.00 0.00 C ATOM 216 CD2 TYR A 14 -7.704 3.230 -2.542 1.00 0.00 C ATOM 217 CE1 TYR A 14 -6.344 3.190 -0.144 1.00 0.00 C ATOM 218 CE2 TYR A 14 -7.930 2.208 -1.640 1.00 0.00 C ATOM 219 CZ TYR A 14 -7.247 2.192 -0.443 1.00 0.00 C ATOM 220 OH TYR A 14 -7.471 1.178 0.460 1.00 0.00 O ATOM 0 H TYR A 14 -4.648 6.949 -2.201 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.683 4.578 -3.973 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.924 6.296 -2.831 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.172 5.171 -4.152 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.412 4.986 -0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.244 3.240 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.813 3.178 0.796 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.638 1.426 -1.872 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.039 1.397 1.312 1.00 0.00 H new ATOM 230 N ASN A 15 -5.315 7.745 -4.753 1.00 0.00 N ATOM 231 CA ASN A 15 -5.261 8.690 -5.871 1.00 0.00 C ATOM 232 C ASN A 15 -4.033 9.566 -5.707 1.00 0.00 C ATOM 233 O ASN A 15 -4.091 10.774 -5.871 1.00 0.00 O ATOM 234 CB ASN A 15 -6.525 9.550 -5.915 1.00 0.00 C ATOM 235 CG ASN A 15 -7.206 9.507 -7.269 1.00 0.00 C ATOM 236 OD1 ASN A 15 -7.507 10.546 -7.857 1.00 0.00 O ATOM 237 ND2 ASN A 15 -7.453 8.303 -7.771 1.00 0.00 N ATOM 0 H ASN A 15 -5.575 8.160 -3.858 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.201 8.139 -6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.221 9.207 -5.150 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.268 10.581 -5.673 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.910 8.213 -8.679 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.186 7.468 -7.249 1.00 0.00 H new ATOM 244 N LEU A 16 -2.966 8.899 -5.280 1.00 0.00 N ATOM 245 CA LEU A 16 -1.668 9.462 -4.916 1.00 0.00 C ATOM 246 C LEU A 16 -0.705 9.708 -6.057 1.00 0.00 C ATOM 247 O LEU A 16 -1.032 10.461 -6.956 1.00 0.00 O ATOM 248 CB LEU A 16 -1.069 8.469 -3.936 1.00 0.00 C ATOM 249 CG LEU A 16 -0.817 7.033 -4.459 1.00 0.00 C ATOM 250 CD1 LEU A 16 -0.874 6.925 -5.978 1.00 0.00 C ATOM 251 CD2 LEU A 16 0.518 6.516 -3.955 1.00 0.00 C ATOM 0 H LEU A 16 -2.985 7.885 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.830 10.460 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.120 8.872 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.730 8.404 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.628 6.418 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.689 5.893 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.859 7.233 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.115 7.572 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.682 5.506 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.317 7.168 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.515 6.502 -2.865 1.00 0.00 H new ATOM 263 N ASN A 17 0.505 9.136 -5.946 1.00 0.00 N ATOM 264 CA ASN A 17 1.583 9.300 -6.902 1.00 0.00 C ATOM 265 C ASN A 17 2.857 9.595 -6.142 1.00 0.00 C ATOM 266 O ASN A 17 3.966 9.373 -6.625 1.00 0.00 O ATOM 267 CB ASN A 17 1.280 10.430 -7.863 1.00 0.00 C ATOM 268 CG ASN A 17 0.373 9.973 -9.000 1.00 0.00 C ATOM 269 OD1 ASN A 17 -0.328 8.853 -8.790 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 0.303 10.614 -10.048 1.00 0.00 N flip ATOM 0 H ASN A 17 0.755 8.532 -5.163 1.00 0.00 H new ATOM 0 HA ASN A 17 1.695 8.385 -7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.804 11.249 -7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.212 10.818 -8.274 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.856 11.463 -10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.308 10.296 -10.800 1.00 0.00 H new ATOM 277 N ASP A 18 2.645 10.087 -4.932 1.00 0.00 N ATOM 278 CA ASP A 18 3.696 10.442 -4.003 1.00 0.00 C ATOM 279 C ASP A 18 5.083 10.450 -4.624 1.00 0.00 C ATOM 280 O ASP A 18 5.291 11.027 -5.691 1.00 0.00 O ATOM 281 CB ASP A 18 3.669 9.508 -2.833 1.00 0.00 C ATOM 282 CG ASP A 18 2.311 9.417 -2.164 1.00 0.00 C ATOM 283 OD1 ASP A 18 1.989 10.306 -1.348 1.00 0.00 O ATOM 284 OD2 ASP A 18 1.574 8.451 -2.446 1.00 0.00 O ATOM 0 H ASP A 18 1.709 10.254 -4.562 1.00 0.00 H new ATOM 0 HA ASP A 18 3.497 11.465 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.969 8.514 -3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.406 9.836 -2.099 1.00 0.00 H new ATOM 289 N ALA A 19 6.049 9.834 -3.936 1.00 0.00 N ATOM 290 CA ALA A 19 7.400 9.817 -4.421 1.00 0.00 C ATOM 291 C ALA A 19 7.830 11.248 -4.731 1.00 0.00 C ATOM 292 O ALA A 19 8.733 11.490 -5.531 1.00 0.00 O ATOM 293 CB ALA A 19 7.488 8.913 -5.633 1.00 0.00 C ATOM 0 H ALA A 19 5.906 9.349 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 19 8.080 9.418 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.513 8.899 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.188 7.902 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.826 9.286 -6.414 1.00 0.00 H new ATOM 299 N SER A 20 7.147 12.187 -4.063 1.00 0.00 N ATOM 300 CA SER A 20 7.396 13.618 -4.203 1.00 0.00 C ATOM 301 C SER A 20 6.402 14.265 -5.168 1.00 0.00 C ATOM 302 O SER A 20 6.778 14.702 -6.255 1.00 0.00 O ATOM 303 CB SER A 20 8.832 13.885 -4.660 1.00 0.00 C ATOM 304 OG SER A 20 8.937 13.830 -6.072 1.00 0.00 O ATOM 0 H SER A 20 6.400 11.967 -3.405 1.00 0.00 H new ATOM 0 HA SER A 20 7.257 14.069 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.153 14.865 -4.306 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.502 13.150 -4.214 1.00 0.00 H new ATOM 0 HG SER A 20 8.395 14.543 -6.468 1.00 0.00 H new ATOM 310 N LEU A 21 5.135 14.313 -4.746 1.00 0.00 N ATOM 311 CA LEU A 21 4.046 14.886 -5.548 1.00 0.00 C ATOM 312 C LEU A 21 2.710 14.533 -4.894 1.00 0.00 C ATOM 313 O LEU A 21 1.763 15.319 -4.847 1.00 0.00 O ATOM 314 CB LEU A 21 4.103 14.304 -6.957 1.00 0.00 C ATOM 315 CG LEU A 21 3.381 12.976 -7.133 1.00 0.00 C ATOM 316 CD1 LEU A 21 1.958 13.208 -7.609 1.00 0.00 C ATOM 317 CD2 LEU A 21 4.148 12.081 -8.089 1.00 0.00 C ATOM 0 H LEU A 21 4.834 13.956 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 21 4.149 15.970 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.675 15.028 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.148 14.172 -7.238 1.00 0.00 H new ATOM 0 HG LEU A 21 3.331 12.469 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.454 12.249 -7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.422 13.809 -6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.975 13.733 -8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.619 11.135 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.231 12.571 -9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.145 11.893 -7.691 1.00 0.00 H new ATOM 329 N CYS A 22 2.715 13.329 -4.369 1.00 0.00 N ATOM 330 CA CYS A 22 1.618 12.700 -3.642 1.00 0.00 C ATOM 331 C CYS A 22 0.218 13.292 -3.812 1.00 0.00 C ATOM 332 O CYS A 22 -0.025 14.450 -3.472 1.00 0.00 O ATOM 333 CB CYS A 22 1.968 12.727 -2.174 1.00 0.00 C ATOM 334 SG CYS A 22 2.330 14.409 -1.551 1.00 0.00 S ATOM 0 H CYS A 22 3.530 12.720 -4.438 1.00 0.00 H new ATOM 0 HA CYS A 22 1.536 11.703 -4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.142 12.305 -1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.834 12.088 -2.002 1.00 0.00 H new ATOM 339 N ASP A 23 -0.725 12.446 -4.274 1.00 0.00 N ATOM 340 CA ASP A 23 -2.121 12.860 -4.399 1.00 0.00 C ATOM 341 C ASP A 23 -3.042 11.992 -3.487 1.00 0.00 C ATOM 342 O ASP A 23 -3.353 10.815 -3.765 1.00 0.00 O ATOM 343 CB ASP A 23 -2.552 12.820 -5.863 1.00 0.00 C ATOM 344 CG ASP A 23 -3.982 13.286 -6.064 1.00 0.00 C ATOM 345 OD1 ASP A 23 -4.771 13.220 -5.097 1.00 0.00 O ATOM 346 OD2 ASP A 23 -4.314 13.716 -7.189 1.00 0.00 O ATOM 0 H ASP A 23 -0.540 11.485 -4.561 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.219 13.890 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.883 13.448 -6.452 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.449 11.803 -6.240 1.00 0.00 H new ATOM 351 N ASN A 24 -3.445 12.570 -2.364 1.00 0.00 N ATOM 352 CA ASN A 24 -4.275 11.869 -1.390 1.00 0.00 C ATOM 353 C ASN A 24 -5.612 11.416 -1.975 1.00 0.00 C ATOM 354 O ASN A 24 -5.734 11.208 -3.182 1.00 0.00 O ATOM 355 CB ASN A 24 -4.499 12.751 -0.160 1.00 0.00 C ATOM 356 CG ASN A 24 -5.727 13.635 -0.284 1.00 0.00 C ATOM 357 OD1 ASN A 24 -6.689 13.490 0.469 1.00 0.00 O ATOM 358 ND2 ASN A 24 -5.698 14.557 -1.239 1.00 0.00 N ATOM 0 H ASN A 24 -3.210 13.528 -2.103 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.738 10.967 -1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.601 12.118 0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.621 13.377 -0.003 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.495 15.180 -1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.879 14.642 -1.841 1.00 0.00 H new ATOM 365 N VAL A 25 -6.599 11.243 -1.092 1.00 0.00 N ATOM 366 CA VAL A 25 -7.934 10.787 -1.478 1.00 0.00 C ATOM 367 C VAL A 25 -8.047 9.279 -1.273 1.00 0.00 C ATOM 368 O VAL A 25 -7.512 8.498 -2.059 1.00 0.00 O ATOM 369 CB VAL A 25 -8.265 11.127 -2.944 1.00 0.00 C ATOM 370 CG1 VAL A 25 -9.731 10.855 -3.239 1.00 0.00 C ATOM 371 CG2 VAL A 25 -7.911 12.575 -3.250 1.00 0.00 C ATOM 0 H VAL A 25 -6.494 11.415 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.650 11.310 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.665 10.486 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.945 11.101 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.948 9.801 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.353 11.467 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.152 12.797 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.482 13.235 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.845 12.732 -3.083 1.00 0.00 H new ATOM 381 N LEU A 26 -8.719 8.871 -0.196 1.00 0.00 N ATOM 382 CA LEU A 26 -8.855 7.451 0.109 1.00 0.00 C ATOM 383 C LEU A 26 -7.499 6.897 0.515 1.00 0.00 C ATOM 384 O LEU A 26 -6.682 6.584 -0.348 1.00 0.00 O ATOM 385 CB LEU A 26 -9.387 6.693 -1.110 1.00 0.00 C ATOM 386 CG LEU A 26 -10.499 7.403 -1.880 1.00 0.00 C ATOM 387 CD1 LEU A 26 -11.067 6.491 -2.957 1.00 0.00 C ATOM 388 CD2 LEU A 26 -11.597 7.858 -0.930 1.00 0.00 C ATOM 0 H LEU A 26 -9.172 9.496 0.471 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.563 7.325 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.558 6.504 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.757 5.722 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.077 8.284 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.858 7.013 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.276 6.214 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.475 5.592 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.381 8.362 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.017 6.992 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.180 8.546 -0.195 1.00 0.00 H new ATOM 400 N ALA A 27 -7.233 6.800 1.820 1.00 0.00 N ATOM 401 CA ALA A 27 -5.945 6.306 2.266 1.00 0.00 C ATOM 402 C ALA A 27 -5.696 6.553 3.755 1.00 0.00 C ATOM 403 O ALA A 27 -5.250 7.630 4.148 1.00 0.00 O ATOM 404 CB ALA A 27 -4.863 6.975 1.444 1.00 0.00 C ATOM 0 H ALA A 27 -7.882 7.053 2.565 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.932 5.225 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.886 6.615 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.008 6.738 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.916 8.055 1.583 1.00 0.00 H new ATOM 410 N PRO A 28 -5.954 5.540 4.597 1.00 0.00 N ATOM 411 CA PRO A 28 -5.733 5.625 6.044 1.00 0.00 C ATOM 412 C PRO A 28 -4.271 5.303 6.389 1.00 0.00 C ATOM 413 O PRO A 28 -3.368 5.700 5.657 1.00 0.00 O ATOM 414 CB PRO A 28 -6.697 4.557 6.562 1.00 0.00 C ATOM 415 CG PRO A 28 -6.636 3.493 5.521 1.00 0.00 C ATOM 416 CD PRO A 28 -6.465 4.210 4.204 1.00 0.00 C ATOM 0 HA PRO A 28 -5.907 6.610 6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.391 4.181 7.538 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.707 4.950 6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.804 2.813 5.706 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.545 2.892 5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.765 3.688 3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.408 4.286 3.664 1.00 0.00 H new ATOM 424 N ASN A 29 -4.030 4.575 7.481 1.00 0.00 N ATOM 425 CA ASN A 29 -2.667 4.205 7.860 1.00 0.00 C ATOM 426 C ASN A 29 -2.615 2.740 8.273 1.00 0.00 C ATOM 427 O ASN A 29 -3.219 2.344 9.269 1.00 0.00 O ATOM 428 CB ASN A 29 -2.142 5.080 8.999 1.00 0.00 C ATOM 429 CG ASN A 29 -2.876 6.402 9.101 1.00 0.00 C ATOM 430 OD1 ASN A 29 -2.619 7.297 8.153 1.00 0.00 O flip ATOM 431 ND2 ASN A 29 -3.664 6.619 10.021 1.00 0.00 N flip ATOM 0 H ASN A 29 -4.754 4.233 8.113 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.029 4.362 6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.239 4.541 9.941 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.079 5.269 8.848 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.832 5.903 10.728 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.149 7.514 10.076 1.00 0.00 H new ATOM 438 N VAL A 30 -1.901 1.935 7.494 1.00 0.00 N ATOM 439 CA VAL A 30 -1.788 0.511 7.778 1.00 0.00 C ATOM 440 C VAL A 30 -0.462 -0.051 7.283 1.00 0.00 C ATOM 441 O VAL A 30 0.485 0.692 7.028 1.00 0.00 O ATOM 442 CB VAL A 30 -2.938 -0.272 7.121 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.272 0.391 7.423 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.719 -0.379 5.620 1.00 0.00 C ATOM 0 H VAL A 30 -1.394 2.243 6.664 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.840 0.397 8.861 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.954 -1.279 7.537 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.075 -0.175 6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.430 0.415 8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.269 1.409 7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.542 -0.936 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.678 0.620 5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.781 -0.898 5.425 1.00 0.00 H new ATOM 454 N THR A 31 -0.409 -1.372 7.140 1.00 0.00 N ATOM 455 CA THR A 31 0.793 -2.040 6.663 1.00 0.00 C ATOM 456 C THR A 31 0.740 -2.212 5.149 1.00 0.00 C ATOM 457 O THR A 31 -0.249 -2.705 4.606 1.00 0.00 O ATOM 458 CB THR A 31 0.953 -3.401 7.343 1.00 0.00 C ATOM 459 OG1 THR A 31 -0.168 -3.690 8.158 1.00 0.00 O ATOM 460 CG2 THR A 31 2.188 -3.492 8.212 1.00 0.00 C ATOM 0 H THR A 31 -1.186 -1.999 7.348 1.00 0.00 H new ATOM 0 HA THR A 31 1.654 -1.421 6.914 1.00 0.00 H new ATOM 0 HB THR A 31 1.045 -4.121 6.530 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.047 -4.565 8.582 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.242 -4.482 8.665 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.075 -3.323 7.602 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.138 -2.737 8.996 1.00 0.00 H new ATOM 468 N LYS A 32 1.806 -1.790 4.478 1.00 0.00 N ATOM 469 CA LYS A 32 1.893 -1.881 3.024 1.00 0.00 C ATOM 470 C LYS A 32 1.123 -3.084 2.487 1.00 0.00 C ATOM 471 O LYS A 32 0.499 -3.010 1.430 1.00 0.00 O ATOM 472 CB LYS A 32 3.356 -1.967 2.594 1.00 0.00 C ATOM 473 CG LYS A 32 3.542 -2.143 1.097 1.00 0.00 C ATOM 474 CD LYS A 32 4.837 -2.870 0.777 1.00 0.00 C ATOM 475 CE LYS A 32 6.021 -2.244 1.497 1.00 0.00 C ATOM 476 NZ LYS A 32 7.081 -1.809 0.547 1.00 0.00 N ATOM 0 H LYS A 32 2.628 -1.379 4.921 1.00 0.00 H new ATOM 0 HA LYS A 32 1.440 -0.981 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.873 -1.061 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.829 -2.802 3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.700 -2.701 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.543 -1.167 0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.748 -3.918 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.011 -2.848 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.681 -1.387 2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.438 -2.963 2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.780 -1.225 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.552 -2.645 0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.653 -1.252 -0.220 1.00 0.00 H new ATOM 490 N GLN A 33 1.174 -4.191 3.218 1.00 0.00 N ATOM 491 CA GLN A 33 0.486 -5.410 2.807 1.00 0.00 C ATOM 492 C GLN A 33 -1.020 -5.197 2.721 1.00 0.00 C ATOM 493 O GLN A 33 -1.615 -5.337 1.652 1.00 0.00 O ATOM 494 CB GLN A 33 0.800 -6.543 3.782 1.00 0.00 C ATOM 495 CG GLN A 33 2.282 -6.685 4.072 1.00 0.00 C ATOM 496 CD GLN A 33 2.748 -8.128 4.040 1.00 0.00 C ATOM 497 OE1 GLN A 33 2.496 -8.806 2.927 1.00 0.00 O flip ATOM 498 NE2 GLN A 33 3.326 -8.627 5.005 1.00 0.00 N flip ATOM 0 H GLN A 33 1.684 -4.270 4.098 1.00 0.00 H new ATOM 0 HA GLN A 33 0.844 -5.679 1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.268 -6.367 4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.424 -7.481 3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.848 -6.108 3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.499 -6.259 5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.499 -8.068 5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.632 -9.599 4.969 1.00 0.00 H new ATOM 507 N GLU A 34 -1.635 -4.856 3.848 1.00 0.00 N ATOM 508 CA GLU A 34 -3.070 -4.624 3.889 1.00 0.00 C ATOM 509 C GLU A 34 -3.452 -3.481 2.959 1.00 0.00 C ATOM 510 O GLU A 34 -4.389 -3.593 2.167 1.00 0.00 O ATOM 511 CB GLU A 34 -3.520 -4.311 5.317 1.00 0.00 C ATOM 512 CG GLU A 34 -2.691 -5.006 6.384 1.00 0.00 C ATOM 513 CD GLU A 34 -2.481 -6.480 6.092 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.466 -7.162 5.740 1.00 0.00 O ATOM 515 OE2 GLU A 34 -1.331 -6.951 6.216 1.00 0.00 O ATOM 0 H GLU A 34 -1.161 -4.735 4.743 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.573 -5.531 3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.472 -3.234 5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.564 -4.604 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.722 -4.514 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.184 -4.897 7.350 1.00 0.00 H new ATOM 522 N CYS A 35 -2.714 -2.380 3.056 1.00 0.00 N ATOM 523 CA CYS A 35 -2.979 -1.223 2.218 1.00 0.00 C ATOM 524 C CYS A 35 -2.817 -1.578 0.745 1.00 0.00 C ATOM 525 O CYS A 35 -3.799 -1.832 0.062 1.00 0.00 O ATOM 526 CB CYS A 35 -2.054 -0.062 2.583 1.00 0.00 C ATOM 527 SG CYS A 35 -1.811 1.144 1.237 1.00 0.00 S ATOM 0 H CYS A 35 -1.933 -2.267 3.703 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.009 -0.912 2.392 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.462 0.455 3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.084 -0.462 2.878 1.00 0.00 H new ATOM 532 N CYS A 36 -1.574 -1.589 0.266 1.00 0.00 N ATOM 533 CA CYS A 36 -1.296 -1.906 -1.135 1.00 0.00 C ATOM 534 C CYS A 36 -2.321 -2.889 -1.689 1.00 0.00 C ATOM 535 O CYS A 36 -2.828 -2.707 -2.796 1.00 0.00 O ATOM 536 CB CYS A 36 0.116 -2.471 -1.287 1.00 0.00 C ATOM 537 SG CYS A 36 1.440 -1.278 -0.906 1.00 0.00 S ATOM 0 H CYS A 36 -0.746 -1.383 0.825 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.367 -0.982 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.222 -3.336 -0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.245 -2.827 -2.309 1.00 0.00 H new ATOM 542 N CYS A 37 -2.644 -3.917 -0.910 1.00 0.00 N ATOM 543 CA CYS A 37 -3.633 -4.899 -1.337 1.00 0.00 C ATOM 544 C CYS A 37 -4.897 -4.180 -1.798 1.00 0.00 C ATOM 545 O CYS A 37 -5.390 -4.406 -2.904 1.00 0.00 O ATOM 546 CB CYS A 37 -3.964 -5.864 -0.196 1.00 0.00 C ATOM 547 SG CYS A 37 -5.436 -6.893 -0.507 1.00 0.00 S ATOM 0 H CYS A 37 -2.240 -4.090 0.010 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.221 -5.477 -2.164 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.107 -6.515 -0.023 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.119 -5.291 0.718 1.00 0.00 H new ATOM 552 N THR A 38 -5.398 -3.296 -0.942 1.00 0.00 N ATOM 553 CA THR A 38 -6.589 -2.508 -1.245 1.00 0.00 C ATOM 554 C THR A 38 -6.199 -1.200 -1.929 1.00 0.00 C ATOM 555 O THR A 38 -6.761 -0.835 -2.961 1.00 0.00 O ATOM 556 CB THR A 38 -7.367 -2.206 0.032 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.937 -3.039 1.095 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.861 -2.385 -0.118 1.00 0.00 C ATOM 0 H THR A 38 -4.994 -3.106 -0.025 1.00 0.00 H new ATOM 0 HA THR A 38 -7.221 -3.088 -1.917 1.00 0.00 H new ATOM 0 HB THR A 38 -7.164 -1.157 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.974 -2.922 1.234 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.352 -2.154 0.827 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.232 -1.714 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.078 -3.416 -0.397 1.00 0.00 H new ATOM 566 N SER A 39 -5.228 -0.512 -1.327 1.00 0.00 N ATOM 567 CA SER A 39 -4.714 0.761 -1.832 1.00 0.00 C ATOM 568 C SER A 39 -5.034 0.962 -3.301 1.00 0.00 C ATOM 569 O SER A 39 -5.866 1.793 -3.663 1.00 0.00 O ATOM 570 CB SER A 39 -3.200 0.824 -1.634 1.00 0.00 C ATOM 571 OG SER A 39 -2.766 2.157 -1.420 1.00 0.00 O ATOM 0 H SER A 39 -4.773 -0.825 -0.469 1.00 0.00 H new ATOM 0 HA SER A 39 -5.203 1.556 -1.269 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.916 0.205 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.699 0.412 -2.510 1.00 0.00 H new ATOM 0 HG SER A 39 -2.377 2.234 -0.524 1.00 0.00 H new ATOM 577 N GLY A 40 -4.359 0.196 -4.143 1.00 0.00 N ATOM 578 CA GLY A 40 -4.573 0.305 -5.565 1.00 0.00 C ATOM 579 C GLY A 40 -3.701 1.373 -6.196 1.00 0.00 C ATOM 580 O GLY A 40 -3.751 1.588 -7.407 1.00 0.00 O ATOM 0 H GLY A 40 -3.667 -0.499 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.366 -0.656 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.621 0.535 -5.756 1.00 0.00 H new ATOM 584 N ALA A 41 -2.920 2.065 -5.367 1.00 0.00 N ATOM 585 CA ALA A 41 -2.061 3.137 -5.850 1.00 0.00 C ATOM 586 C ALA A 41 -0.668 3.111 -5.204 1.00 0.00 C ATOM 587 O ALA A 41 0.332 2.956 -5.904 1.00 0.00 O ATOM 588 CB ALA A 41 -2.756 4.451 -5.601 1.00 0.00 C ATOM 0 H ALA A 41 -2.867 1.901 -4.362 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.893 2.999 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.128 5.268 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.707 4.466 -6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.937 4.570 -4.533 1.00 0.00 H new ATOM 594 N GLY A 42 -0.594 3.268 -3.875 1.00 0.00 N ATOM 595 CA GLY A 42 0.701 3.258 -3.205 1.00 0.00 C ATOM 596 C GLY A 42 0.613 3.304 -1.690 1.00 0.00 C ATOM 597 O GLY A 42 -0.406 3.705 -1.126 1.00 0.00 O ATOM 0 H GLY A 42 -1.398 3.400 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.244 2.360 -3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.284 4.111 -3.551 1.00 0.00 H new ATOM 601 N TRP A 43 1.701 2.896 -1.034 1.00 0.00 N ATOM 602 CA TRP A 43 1.779 2.889 0.426 1.00 0.00 C ATOM 603 C TRP A 43 3.136 3.403 0.890 1.00 0.00 C ATOM 604 O TRP A 43 4.178 2.935 0.426 1.00 0.00 O ATOM 605 CB TRP A 43 1.555 1.478 0.972 1.00 0.00 C ATOM 606 CG TRP A 43 1.745 1.368 2.457 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.767 1.345 3.412 1.00 0.00 C ATOM 608 CD2 TRP A 43 2.991 1.262 3.159 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.329 1.227 4.660 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.692 1.177 4.532 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.331 1.231 2.761 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.683 1.059 5.505 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.311 1.116 3.730 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.982 1.030 5.085 1.00 0.00 C ATOM 0 H TRP A 43 2.547 2.563 -1.497 1.00 0.00 H new ATOM 0 HA TRP A 43 0.997 3.546 0.807 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.545 1.156 0.719 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.241 0.793 0.475 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.293 1.410 3.214 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.815 1.184 5.540 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.596 1.296 1.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.432 0.993 6.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.349 1.092 3.434 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.772 0.939 5.816 1.00 0.00 H new ATOM 625 N GLY A 44 3.119 4.398 1.777 1.00 0.00 N ATOM 626 CA GLY A 44 4.354 4.975 2.267 1.00 0.00 C ATOM 627 C GLY A 44 4.128 6.211 3.106 1.00 0.00 C ATOM 628 O GLY A 44 3.085 6.360 3.751 1.00 0.00 O ATOM 0 H GLY A 44 2.270 4.812 2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.888 4.232 2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.993 5.227 1.421 1.00 0.00 H new ATOM 632 N ASP A 45 5.112 7.095 3.097 1.00 0.00 N ATOM 633 CA ASP A 45 5.037 8.334 3.858 1.00 0.00 C ATOM 634 C ASP A 45 4.799 9.526 2.937 1.00 0.00 C ATOM 635 O ASP A 45 5.747 10.107 2.412 1.00 0.00 O ATOM 636 CB ASP A 45 6.319 8.543 4.663 1.00 0.00 C ATOM 637 CG ASP A 45 7.518 7.854 4.040 1.00 0.00 C ATOM 638 OD1 ASP A 45 7.414 6.650 3.725 1.00 0.00 O ATOM 639 OD2 ASP A 45 8.560 8.520 3.866 1.00 0.00 O ATOM 0 H ASP A 45 5.977 6.978 2.569 1.00 0.00 H new ATOM 0 HA ASP A 45 4.195 8.257 4.546 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.521 9.611 4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.173 8.166 5.675 1.00 0.00 H new ATOM 644 N ASN A 46 3.521 9.870 2.762 1.00 0.00 N ATOM 645 CA ASN A 46 3.091 10.991 1.920 1.00 0.00 C ATOM 646 C ASN A 46 4.207 11.548 1.041 1.00 0.00 C ATOM 647 O ASN A 46 5.170 12.136 1.534 1.00 0.00 O ATOM 648 CB ASN A 46 2.522 12.112 2.793 1.00 0.00 C ATOM 649 CG ASN A 46 1.972 13.268 1.975 1.00 0.00 C ATOM 650 OD1 ASN A 46 1.233 12.955 0.914 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 2.208 14.433 2.294 1.00 0.00 N flip ATOM 0 H ASN A 46 2.747 9.374 3.205 1.00 0.00 H new ATOM 0 HA ASN A 46 2.324 10.600 1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.730 11.709 3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.303 12.481 3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.779 14.631 3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.832 15.200 1.737 1.00 0.00 H new ATOM 658 N CYS A 47 4.051 11.383 -0.270 1.00 0.00 N ATOM 659 CA CYS A 47 5.029 11.887 -1.230 1.00 0.00 C ATOM 660 C CYS A 47 6.360 11.136 -1.108 1.00 0.00 C ATOM 661 O CYS A 47 7.352 11.488 -1.745 1.00 0.00 O ATOM 662 CB CYS A 47 5.205 13.396 -1.046 1.00 0.00 C ATOM 663 SG CYS A 47 3.815 14.200 -0.169 1.00 0.00 S ATOM 0 H CYS A 47 3.256 10.904 -0.692 1.00 0.00 H new ATOM 0 HA CYS A 47 4.660 11.709 -2.240 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.126 13.580 -0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.322 13.861 -2.025 1.00 0.00 H new ATOM 668 N GLU A 48 6.340 10.067 -0.312 1.00 0.00 N ATOM 669 CA GLU A 48 7.496 9.194 -0.106 1.00 0.00 C ATOM 670 C GLU A 48 6.977 7.766 -0.103 1.00 0.00 C ATOM 671 O GLU A 48 7.354 6.930 0.720 1.00 0.00 O ATOM 672 CB GLU A 48 8.196 9.513 1.215 1.00 0.00 C ATOM 673 CG GLU A 48 8.213 10.994 1.543 1.00 0.00 C ATOM 674 CD GLU A 48 9.611 11.580 1.517 1.00 0.00 C ATOM 675 OE1 GLU A 48 10.460 11.060 0.763 1.00 0.00 O ATOM 676 OE2 GLU A 48 9.857 12.560 2.251 1.00 0.00 O ATOM 0 H GLU A 48 5.514 9.780 0.213 1.00 0.00 H new ATOM 0 HA GLU A 48 8.231 9.341 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.698 8.975 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.221 9.146 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.586 11.528 0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.776 11.149 2.529 1.00 0.00 H new ATOM 683 N ILE A 49 6.033 7.556 -1.003 1.00 0.00 N ATOM 684 CA ILE A 49 5.313 6.307 -1.155 1.00 0.00 C ATOM 685 C ILE A 49 5.963 5.313 -2.111 1.00 0.00 C ATOM 686 O ILE A 49 7.008 5.579 -2.707 1.00 0.00 O ATOM 687 CB ILE A 49 3.901 6.661 -1.651 1.00 0.00 C ATOM 688 CG1 ILE A 49 2.861 6.076 -0.752 1.00 0.00 C ATOM 689 CG2 ILE A 49 3.643 6.257 -3.097 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.295 7.103 0.190 1.00 0.00 C ATOM 0 H ILE A 49 5.739 8.272 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 49 5.307 5.804 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 49 3.836 7.749 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.057 5.653 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.295 5.257 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.628 6.538 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.353 6.765 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.763 5.179 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.542 6.637 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.095 7.508 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.837 7.909 -0.383 1.00 0.00 H new ATOM 702 N PHE A 50 5.294 4.169 -2.257 1.00 0.00 N ATOM 703 CA PHE A 50 5.745 3.112 -3.149 1.00 0.00 C ATOM 704 C PHE A 50 4.547 2.564 -3.934 1.00 0.00 C ATOM 705 O PHE A 50 3.712 1.839 -3.391 1.00 0.00 O ATOM 706 CB PHE A 50 6.455 2.011 -2.344 1.00 0.00 C ATOM 707 CG PHE A 50 6.021 0.607 -2.667 1.00 0.00 C ATOM 708 CD1 PHE A 50 6.658 -0.117 -3.660 1.00 0.00 C ATOM 709 CD2 PHE A 50 4.984 0.012 -1.967 1.00 0.00 C ATOM 710 CE1 PHE A 50 6.268 -1.411 -3.951 1.00 0.00 C ATOM 711 CE2 PHE A 50 4.591 -1.280 -2.252 1.00 0.00 C ATOM 712 CZ PHE A 50 5.233 -1.992 -3.245 1.00 0.00 C ATOM 0 H PHE A 50 4.429 3.954 -1.761 1.00 0.00 H new ATOM 0 HA PHE A 50 6.465 3.509 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.528 2.092 -2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.287 2.192 -1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.468 0.334 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.478 0.565 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.772 -1.966 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.782 -1.733 -1.699 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.926 -3.003 -3.470 1.00 0.00 H new ATOM 722 N PRO A 51 4.443 2.941 -5.219 1.00 0.00 N ATOM 723 CA PRO A 51 3.341 2.531 -6.102 1.00 0.00 C ATOM 724 C PRO A 51 2.937 1.065 -5.962 1.00 0.00 C ATOM 725 O PRO A 51 3.682 0.164 -6.347 1.00 0.00 O ATOM 726 CB PRO A 51 3.913 2.793 -7.492 1.00 0.00 C ATOM 727 CG PRO A 51 4.822 3.959 -7.303 1.00 0.00 C ATOM 728 CD PRO A 51 5.393 3.831 -5.913 1.00 0.00 C ATOM 0 HA PRO A 51 2.425 3.074 -5.869 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.453 1.925 -7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.125 3.016 -8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.615 3.959 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.279 4.897 -7.415 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.397 3.407 -5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.465 4.800 -5.420 1.00 0.00 H new ATOM 736 N CYS A 52 1.737 0.840 -5.426 1.00 0.00 N ATOM 737 CA CYS A 52 1.209 -0.510 -5.254 1.00 0.00 C ATOM 738 C CYS A 52 -0.315 -0.516 -5.315 1.00 0.00 C ATOM 739 O CYS A 52 -0.975 0.459 -4.929 1.00 0.00 O ATOM 740 CB CYS A 52 1.669 -1.104 -3.927 1.00 0.00 C ATOM 741 SG CYS A 52 1.427 -0.009 -2.491 1.00 0.00 S ATOM 0 H CYS A 52 1.112 1.579 -5.103 1.00 0.00 H new ATOM 0 HA CYS A 52 1.594 -1.120 -6.071 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.131 -2.036 -3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.727 -1.356 -4.003 1.00 0.00 H new ATOM 746 N PRO A 53 -0.901 -1.622 -5.797 1.00 0.00 N ATOM 747 CA PRO A 53 -0.181 -2.799 -6.265 1.00 0.00 C ATOM 748 C PRO A 53 -0.041 -2.810 -7.786 1.00 0.00 C ATOM 749 O PRO A 53 -0.160 -1.772 -8.435 1.00 0.00 O ATOM 750 CB PRO A 53 -1.115 -3.914 -5.810 1.00 0.00 C ATOM 751 CG PRO A 53 -2.492 -3.331 -5.927 1.00 0.00 C ATOM 752 CD PRO A 53 -2.343 -1.823 -5.932 1.00 0.00 C ATOM 0 HA PRO A 53 0.839 -2.868 -5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.006 -4.801 -6.435 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.899 -4.217 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.978 -3.672 -6.841 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.118 -3.653 -5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.725 -1.385 -6.854 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.891 -1.363 -5.110 1.00 0.00 H new ATOM 760 N VAL A 54 0.198 -3.989 -8.349 1.00 0.00 N ATOM 761 CA VAL A 54 0.336 -4.129 -9.793 1.00 0.00 C ATOM 762 C VAL A 54 -0.594 -5.217 -10.327 1.00 0.00 C ATOM 763 O VAL A 54 -0.623 -5.490 -11.527 1.00 0.00 O ATOM 764 CB VAL A 54 1.788 -4.450 -10.195 1.00 0.00 C ATOM 765 CG1 VAL A 54 2.363 -5.532 -9.298 1.00 0.00 C ATOM 766 CG2 VAL A 54 1.862 -4.859 -11.658 1.00 0.00 C ATOM 0 H VAL A 54 0.300 -4.860 -7.828 1.00 0.00 H new ATOM 0 HA VAL A 54 0.058 -3.172 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 54 2.388 -3.549 -10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.389 -5.745 -9.597 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.350 -5.191 -8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.763 -6.437 -9.389 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.896 -5.081 -11.922 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.248 -5.745 -11.820 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.495 -4.044 -12.283 1.00 0.00 H new ATOM 776 N LEU A 55 -1.361 -5.829 -9.427 1.00 0.00 N ATOM 777 CA LEU A 55 -2.299 -6.881 -9.802 1.00 0.00 C ATOM 778 C LEU A 55 -1.578 -8.059 -10.449 1.00 0.00 C ATOM 779 O LEU A 55 -0.740 -7.877 -11.331 1.00 0.00 O ATOM 780 CB LEU A 55 -3.359 -6.330 -10.758 1.00 0.00 C ATOM 781 CG LEU A 55 -4.768 -6.228 -10.172 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.705 -5.900 -8.689 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.580 -5.181 -10.918 1.00 0.00 C ATOM 0 H LEU A 55 -1.350 -5.612 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.785 -7.236 -8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.047 -5.340 -11.090 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.395 -6.966 -11.642 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.262 -7.193 -10.289 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.716 -5.831 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.160 -6.685 -8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.193 -4.948 -8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.580 -5.122 -10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.090 -4.211 -10.832 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.653 -5.459 -11.970 1.00 0.00 H new ATOM 795 N GLY A 56 -1.915 -9.266 -10.002 1.00 0.00 N ATOM 796 CA GLY A 56 -1.296 -10.462 -10.545 1.00 0.00 C ATOM 797 C GLY A 56 0.155 -10.244 -10.923 1.00 0.00 C ATOM 798 O GLY A 56 0.506 -10.270 -12.103 1.00 0.00 O ATOM 0 H GLY A 56 -2.607 -9.437 -9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.360 -11.265 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.852 -10.788 -11.424 1.00 0.00 H new ATOM 802 N THR A 57 0.999 -10.023 -9.921 1.00 0.00 N ATOM 803 CA THR A 57 2.419 -9.796 -10.158 1.00 0.00 C ATOM 804 C THR A 57 3.209 -9.864 -8.854 1.00 0.00 C ATOM 805 O THR A 57 2.694 -10.307 -7.827 1.00 0.00 O ATOM 806 CB THR A 57 2.629 -8.438 -10.828 1.00 0.00 C ATOM 807 OG1 THR A 57 1.492 -7.612 -10.648 1.00 0.00 O ATOM 808 CG2 THR A 57 2.892 -8.539 -12.314 1.00 0.00 C ATOM 0 H THR A 57 0.725 -9.996 -8.939 1.00 0.00 H new ATOM 0 HA THR A 57 2.784 -10.582 -10.819 1.00 0.00 H new ATOM 0 HB THR A 57 3.509 -8.010 -10.348 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.863 -7.756 -11.385 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.032 -7.540 -12.727 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.791 -9.132 -12.485 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.043 -9.018 -12.802 1.00 0.00 H new ATOM 816 N ALA A 58 4.462 -9.428 -8.905 1.00 0.00 N ATOM 817 CA ALA A 58 5.328 -9.443 -7.732 1.00 0.00 C ATOM 818 C ALA A 58 4.783 -8.551 -6.620 1.00 0.00 C ATOM 819 O ALA A 58 4.349 -9.040 -5.578 1.00 0.00 O ATOM 820 CB ALA A 58 6.736 -9.010 -8.114 1.00 0.00 C ATOM 0 H ALA A 58 4.902 -9.059 -9.748 1.00 0.00 H new ATOM 0 HA ALA A 58 5.358 -10.464 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.374 -9.025 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.137 -9.694 -8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.708 -8.000 -8.524 1.00 0.00 H new ATOM 826 N GLU A 59 4.819 -7.241 -6.843 1.00 0.00 N ATOM 827 CA GLU A 59 4.337 -6.286 -5.850 1.00 0.00 C ATOM 828 C GLU A 59 3.083 -6.805 -5.146 1.00 0.00 C ATOM 829 O GLU A 59 3.163 -7.323 -4.032 1.00 0.00 O ATOM 830 CB GLU A 59 4.065 -4.926 -6.503 1.00 0.00 C ATOM 831 CG GLU A 59 4.462 -3.746 -5.633 1.00 0.00 C ATOM 832 CD GLU A 59 4.365 -2.423 -6.368 1.00 0.00 C ATOM 833 OE1 GLU A 59 3.297 -2.147 -6.954 1.00 0.00 O ATOM 834 OE2 GLU A 59 5.356 -1.664 -6.358 1.00 0.00 O ATOM 0 H GLU A 59 5.176 -6.817 -7.699 1.00 0.00 H new ATOM 0 HA GLU A 59 5.115 -6.162 -5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.607 -4.870 -7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.004 -4.852 -6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.821 -3.716 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.483 -3.887 -5.279 1.00 0.00 H new ATOM 841 N PHE A 60 1.926 -6.664 -5.790 1.00 0.00 N ATOM 842 CA PHE A 60 0.671 -7.120 -5.205 1.00 0.00 C ATOM 843 C PHE A 60 0.857 -8.399 -4.395 1.00 0.00 C ATOM 844 O PHE A 60 0.825 -8.378 -3.166 1.00 0.00 O ATOM 845 CB PHE A 60 -0.378 -7.355 -6.287 1.00 0.00 C ATOM 846 CG PHE A 60 -1.727 -7.658 -5.711 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.325 -6.772 -4.831 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.389 -8.830 -6.033 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.559 -7.048 -4.280 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.627 -9.111 -5.487 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.211 -8.218 -4.609 1.00 0.00 C ATOM 0 H PHE A 60 1.834 -6.239 -6.713 1.00 0.00 H new ATOM 0 HA PHE A 60 0.329 -6.332 -4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.446 -6.472 -6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.062 -8.182 -6.923 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.819 -5.853 -4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.934 -9.531 -6.717 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.013 -6.350 -3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.137 -10.027 -5.746 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.178 -8.436 -4.180 1.00 0.00 H new ATOM 861 N THR A 61 1.038 -9.515 -5.091 1.00 0.00 N ATOM 862 CA THR A 61 1.214 -10.807 -4.435 1.00 0.00 C ATOM 863 C THR A 61 1.990 -10.667 -3.126 1.00 0.00 C ATOM 864 O THR A 61 1.795 -11.447 -2.195 1.00 0.00 O ATOM 865 CB THR A 61 1.927 -11.786 -5.371 1.00 0.00 C ATOM 866 OG1 THR A 61 1.637 -13.124 -5.011 1.00 0.00 O ATOM 867 CG2 THR A 61 3.432 -11.630 -5.376 1.00 0.00 C ATOM 0 H THR A 61 1.067 -9.552 -6.110 1.00 0.00 H new ATOM 0 HA THR A 61 0.225 -11.198 -4.198 1.00 0.00 H new ATOM 0 HB THR A 61 1.553 -11.552 -6.368 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.100 -13.735 -5.621 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.871 -12.355 -6.061 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.692 -10.622 -5.699 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.819 -11.800 -4.371 1.00 0.00 H new ATOM 875 N GLU A 62 2.872 -9.673 -3.060 1.00 0.00 N ATOM 876 CA GLU A 62 3.674 -9.444 -1.863 1.00 0.00 C ATOM 877 C GLU A 62 2.867 -8.744 -0.772 1.00 0.00 C ATOM 878 O GLU A 62 2.916 -9.138 0.393 1.00 0.00 O ATOM 879 CB GLU A 62 4.914 -8.617 -2.205 1.00 0.00 C ATOM 880 CG GLU A 62 5.775 -9.232 -3.297 1.00 0.00 C ATOM 881 CD GLU A 62 6.992 -9.950 -2.744 1.00 0.00 C ATOM 882 OE1 GLU A 62 6.818 -10.837 -1.883 1.00 0.00 O ATOM 883 OE2 GLU A 62 8.119 -9.624 -3.173 1.00 0.00 O ATOM 0 H GLU A 62 3.049 -9.015 -3.819 1.00 0.00 H new ATOM 0 HA GLU A 62 3.983 -10.417 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.601 -7.621 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.517 -8.493 -1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.175 -9.934 -3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.100 -8.449 -3.983 1.00 0.00 H new ATOM 890 N MET A 63 2.139 -7.697 -1.147 1.00 0.00 N ATOM 891 CA MET A 63 1.344 -6.943 -0.187 1.00 0.00 C ATOM 892 C MET A 63 0.035 -7.651 0.152 1.00 0.00 C ATOM 893 O MET A 63 -0.351 -7.727 1.319 1.00 0.00 O ATOM 894 CB MET A 63 1.057 -5.532 -0.708 1.00 0.00 C ATOM 895 CG MET A 63 0.513 -5.481 -2.129 1.00 0.00 C ATOM 896 SD MET A 63 1.634 -4.655 -3.282 1.00 0.00 S ATOM 897 CE MET A 63 3.236 -5.088 -2.604 1.00 0.00 C ATOM 0 H MET A 63 2.084 -7.353 -2.106 1.00 0.00 H new ATOM 0 HA MET A 63 1.932 -6.872 0.728 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.341 -5.051 -0.041 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.976 -4.948 -0.663 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.325 -6.497 -2.477 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.446 -4.962 -2.127 1.00 0.00 H new ATOM 0 HE1 MET A 63 3.954 -5.208 -3.415 1.00 0.00 H new ATOM 0 HE2 MET A 63 3.574 -4.297 -1.934 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.156 -6.023 -2.049 1.00 0.00 H new ATOM 907 N CYS A 64 -0.650 -8.165 -0.864 1.00 0.00 N ATOM 908 CA CYS A 64 -1.914 -8.856 -0.649 1.00 0.00 C ATOM 909 C CYS A 64 -1.755 -10.364 -0.815 1.00 0.00 C ATOM 910 O CYS A 64 -1.768 -10.882 -1.932 1.00 0.00 O ATOM 911 CB CYS A 64 -2.982 -8.337 -1.613 1.00 0.00 C ATOM 912 SG CYS A 64 -4.687 -8.693 -1.078 1.00 0.00 S ATOM 0 H CYS A 64 -0.353 -8.116 -1.838 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.230 -8.654 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.864 -7.259 -1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.819 -8.781 -2.595 1.00 0.00 H new ATOM 917 N PRO A 65 -1.605 -11.087 0.304 1.00 0.00 N ATOM 918 CA PRO A 65 -1.446 -12.541 0.294 1.00 0.00 C ATOM 919 C PRO A 65 -2.773 -13.269 0.110 1.00 0.00 C ATOM 920 O PRO A 65 -2.814 -14.496 0.026 1.00 0.00 O ATOM 921 CB PRO A 65 -0.865 -12.828 1.677 1.00 0.00 C ATOM 922 CG PRO A 65 -1.430 -11.758 2.546 1.00 0.00 C ATOM 923 CD PRO A 65 -1.581 -10.538 1.672 1.00 0.00 C ATOM 0 HA PRO A 65 -0.822 -12.884 -0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.151 -13.819 2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.224 -12.796 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.392 -12.061 2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.770 -11.553 3.389 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.497 -9.993 1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.753 -9.842 1.810 1.00 0.00 H new ATOM 931 N LYS A 66 -3.860 -12.504 0.052 1.00 0.00 N ATOM 932 CA LYS A 66 -5.191 -13.078 -0.119 1.00 0.00 C ATOM 933 C LYS A 66 -5.863 -12.539 -1.380 1.00 0.00 C ATOM 934 O LYS A 66 -5.966 -13.239 -2.386 1.00 0.00 O ATOM 935 CB LYS A 66 -6.059 -12.778 1.104 1.00 0.00 C ATOM 936 CG LYS A 66 -6.905 -13.957 1.554 1.00 0.00 C ATOM 937 CD LYS A 66 -8.391 -13.667 1.401 1.00 0.00 C ATOM 938 CE LYS A 66 -9.216 -14.436 2.421 1.00 0.00 C ATOM 939 NZ LYS A 66 -9.527 -15.816 1.956 1.00 0.00 N ATOM 0 H LYS A 66 -3.845 -11.486 0.121 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.081 -14.157 -0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.416 -12.467 1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.714 -11.937 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.643 -14.839 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.684 -14.189 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.568 -12.598 1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.713 -13.934 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.673 -14.485 3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.145 -13.900 2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.090 -16.307 2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.067 -15.770 1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.641 -16.336 1.795 1.00 0.00 H new ATOM 953 N GLY A 67 -6.319 -11.291 -1.316 1.00 0.00 N ATOM 954 CA GLY A 67 -6.975 -10.684 -2.459 1.00 0.00 C ATOM 955 C GLY A 67 -7.386 -9.248 -2.196 1.00 0.00 C ATOM 956 O GLY A 67 -7.516 -8.832 -1.046 1.00 0.00 O ATOM 0 H GLY A 67 -6.246 -10.691 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.305 -10.715 -3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.857 -11.269 -2.721 1.00 0.00 H new ATOM 960 N LYS A 68 -7.589 -8.490 -3.268 1.00 0.00 N ATOM 961 CA LYS A 68 -7.985 -7.091 -3.153 1.00 0.00 C ATOM 962 C LYS A 68 -9.101 -6.921 -2.127 1.00 0.00 C ATOM 963 O LYS A 68 -9.975 -7.779 -1.996 1.00 0.00 O ATOM 964 CB LYS A 68 -8.439 -6.556 -4.513 1.00 0.00 C ATOM 965 CG LYS A 68 -8.735 -5.066 -4.512 1.00 0.00 C ATOM 966 CD LYS A 68 -10.035 -4.756 -5.238 1.00 0.00 C ATOM 967 CE LYS A 68 -9.865 -4.840 -6.746 1.00 0.00 C ATOM 968 NZ LYS A 68 -9.307 -3.582 -7.313 1.00 0.00 N ATOM 0 H LYS A 68 -7.486 -8.821 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.119 -6.521 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.666 -6.764 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.333 -7.095 -4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.796 -4.707 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.914 -4.530 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.807 -5.456 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.377 -3.758 -4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.205 -5.672 -6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.829 -5.050 -7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.206 -3.680 -8.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.949 -2.791 -7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.375 -3.394 -6.891 1.00 0.00 H new ATOM 982 N GLY A 69 -9.067 -5.806 -1.403 1.00 0.00 N ATOM 983 CA GLY A 69 -10.080 -5.541 -0.399 1.00 0.00 C ATOM 984 C GLY A 69 -9.705 -6.084 0.965 1.00 0.00 C ATOM 985 O GLY A 69 -10.265 -7.082 1.420 1.00 0.00 O ATOM 0 H GLY A 69 -8.355 -5.081 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.241 -4.465 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.024 -5.984 -0.715 1.00 0.00 H new ATOM 989 N PHE A 70 -8.755 -5.426 1.617 1.00 0.00 N ATOM 990 CA PHE A 70 -8.302 -5.844 2.937 1.00 0.00 C ATOM 991 C PHE A 70 -7.643 -4.687 3.680 1.00 0.00 C ATOM 992 O PHE A 70 -6.552 -4.830 4.232 1.00 0.00 O ATOM 993 CB PHE A 70 -7.322 -7.010 2.814 1.00 0.00 C ATOM 994 CG PHE A 70 -7.312 -7.916 4.012 1.00 0.00 C ATOM 995 CD1 PHE A 70 -7.644 -7.431 5.267 1.00 0.00 C ATOM 996 CD2 PHE A 70 -6.968 -9.253 3.883 1.00 0.00 C ATOM 997 CE1 PHE A 70 -7.634 -8.263 6.371 1.00 0.00 C ATOM 998 CE2 PHE A 70 -6.956 -10.089 4.983 1.00 0.00 C ATOM 999 CZ PHE A 70 -7.289 -9.593 6.229 1.00 0.00 C ATOM 0 H PHE A 70 -8.283 -4.599 1.252 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.173 -6.167 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.575 -7.594 1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.318 -6.615 2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.913 -6.392 5.384 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.706 -9.645 2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.896 -7.873 7.344 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.687 -11.129 4.869 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.280 -10.244 7.091 1.00 0.00 H new ATOM 1009 N VAL A 71 -8.313 -3.540 3.688 1.00 0.00 N ATOM 1010 CA VAL A 71 -7.796 -2.357 4.359 1.00 0.00 C ATOM 1011 C VAL A 71 -8.820 -1.222 4.314 1.00 0.00 C ATOM 1012 O VAL A 71 -9.530 -1.057 3.321 1.00 0.00 O ATOM 1013 CB VAL A 71 -6.466 -1.897 3.716 1.00 0.00 C ATOM 1014 CG1 VAL A 71 -6.715 -0.936 2.564 1.00 0.00 C ATOM 1015 CG2 VAL A 71 -5.552 -1.268 4.754 1.00 0.00 C ATOM 0 H VAL A 71 -9.217 -3.406 3.236 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.606 -2.617 5.400 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.969 -2.780 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.762 -0.630 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.317 -1.430 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.245 -0.057 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.624 -0.953 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.045 -0.402 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.331 -1.997 5.533 1.00 0.00 H new ATOM 1025 N PRO A 72 -8.911 -0.425 5.389 1.00 0.00 N ATOM 1026 CA PRO A 72 -9.848 0.697 5.473 1.00 0.00 C ATOM 1027 C PRO A 72 -9.862 1.539 4.202 1.00 0.00 C ATOM 1028 O PRO A 72 -9.091 2.489 4.067 1.00 0.00 O ATOM 1029 CB PRO A 72 -9.324 1.523 6.661 1.00 0.00 C ATOM 1030 CG PRO A 72 -8.021 0.894 7.046 1.00 0.00 C ATOM 1031 CD PRO A 72 -8.112 -0.537 6.609 1.00 0.00 C ATOM 0 HA PRO A 72 -10.875 0.356 5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.187 2.568 6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.029 1.505 7.492 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.185 1.398 6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.855 0.965 8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.130 -0.969 6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.595 -1.164 7.358 1.00 0.00 H new ATOM 1039 N ALA A 73 -10.747 1.187 3.274 1.00 0.00 N ATOM 1040 CA ALA A 73 -10.865 1.912 2.014 1.00 0.00 C ATOM 1041 C ALA A 73 -11.550 1.060 0.951 1.00 0.00 C ATOM 1042 O ALA A 73 -12.223 1.582 0.063 1.00 0.00 O ATOM 1043 CB ALA A 73 -9.493 2.357 1.532 1.00 0.00 C ATOM 0 H ALA A 73 -11.393 0.404 3.371 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.482 2.794 2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.596 2.897 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.040 3.010 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.859 1.483 1.382 1.00 0.00 H new ATOM 1049 N GLY A 74 -11.370 -0.254 1.045 1.00 0.00 N ATOM 1050 CA GLY A 74 -11.977 -1.155 0.082 1.00 0.00 C ATOM 1051 C GLY A 74 -13.051 -2.029 0.700 1.00 0.00 C ATOM 1052 O GLY A 74 -13.247 -3.171 0.285 1.00 0.00 O ATOM 0 H GLY A 74 -10.816 -0.710 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.410 -0.573 -0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.205 -1.788 -0.355 1.00 0.00 H new ATOM 1056 N GLU A 75 -13.750 -1.491 1.695 1.00 0.00 N ATOM 1057 CA GLU A 75 -14.811 -2.230 2.371 1.00 0.00 C ATOM 1058 C GLU A 75 -16.182 -1.680 1.994 1.00 0.00 C ATOM 1059 O GLU A 75 -16.605 -0.677 2.608 1.00 0.00 O ATOM 1060 CB GLU A 75 -14.622 -2.165 3.889 1.00 0.00 C ATOM 1061 CG GLU A 75 -13.271 -1.613 4.313 1.00 0.00 C ATOM 1062 CD GLU A 75 -12.912 -1.984 5.738 1.00 0.00 C ATOM 1063 OE1 GLU A 75 -13.829 -2.333 6.510 1.00 0.00 O ATOM 1064 OE2 GLU A 75 -11.712 -1.929 6.081 1.00 0.00 O ATOM 1065 OXT GLU A 75 -16.821 -2.255 1.090 1.00 0.00 O ATOM 0 H GLU A 75 -13.601 -0.547 2.051 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.755 -3.270 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.409 -1.545 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.743 -3.165 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.501 -1.988 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.279 -0.527 4.215 1.00 0.00 H new TER 1072 GLU A 75