USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 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 5 TYR OH : rot -129:sc= 0.7 USER MOD Set 1.2: A 34 CYS SG : rot 100:sc= 0.609 USER MOD Set 1.3: A 38 GLN : amide:sc= 0.747 K(o=2.1,f=0.057) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 147:sc= 0.379 USER MOD Single : A 31 CYS SG : rot 180:sc= 0.178 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 35 GLN : amide:sc= 0.965 K(o=0.97,f=-0.04) USER MOD Single : A 46 SER OG : rot 79:sc= 0.747 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00819 USER MOD Single : A 53 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-2.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.575 K(o=0.57,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -160:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 9.477 -2.504 6.314 1.00 0.00 N ATOM 70 CA TYR A 5 8.754 -3.552 5.576 1.00 0.00 C ATOM 71 C TYR A 5 8.760 -4.943 6.240 1.00 0.00 C ATOM 72 O TYR A 5 9.692 -5.292 6.966 1.00 0.00 O ATOM 73 CB TYR A 5 9.305 -3.659 4.148 1.00 0.00 C ATOM 74 CG TYR A 5 8.743 -2.645 3.176 1.00 0.00 C ATOM 75 CD1 TYR A 5 7.581 -2.965 2.453 1.00 0.00 C ATOM 76 CD2 TYR A 5 9.389 -1.413 2.973 1.00 0.00 C ATOM 77 CE1 TYR A 5 7.084 -2.065 1.488 1.00 0.00 C ATOM 78 CE2 TYR A 5 8.901 -0.518 2.007 1.00 0.00 C ATOM 79 CZ TYR A 5 7.767 -0.855 1.233 1.00 0.00 C ATOM 80 OH TYR A 5 7.364 -0.013 0.238 1.00 0.00 O ATOM 0 HA TYR A 5 7.711 -3.235 5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.389 -3.548 4.182 1.00 0.00 H new ATOM 0 HB3 TYR A 5 9.099 -4.660 3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.070 -3.898 2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.259 -1.155 3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.181 -2.301 0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.394 0.431 1.855 1.00 0.00 H new ATOM 0 HH TYR A 5 8.131 0.217 -0.327 1.00 0.00 H new ATOM 89 N SER A 6 7.742 -5.763 5.938 1.00 0.00 N ATOM 90 CA SER A 6 7.547 -7.093 6.528 1.00 0.00 C ATOM 91 C SER A 6 7.468 -8.214 5.475 1.00 0.00 C ATOM 92 O SER A 6 6.697 -8.135 4.517 1.00 0.00 O ATOM 93 CB SER A 6 6.261 -7.106 7.367 1.00 0.00 C ATOM 94 OG SER A 6 6.384 -6.255 8.502 1.00 0.00 O ATOM 0 H SER A 6 7.018 -5.514 5.264 1.00 0.00 H new ATOM 0 HA SER A 6 8.420 -7.289 7.151 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.420 -6.782 6.755 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.045 -8.124 7.693 1.00 0.00 H new ATOM 0 HG SER A 6 5.552 -6.278 9.020 1.00 0.00 H new ATOM 99 N ALA A 7 8.239 -9.296 5.665 1.00 0.00 N ATOM 100 CA ALA A 7 8.214 -10.478 4.798 1.00 0.00 C ATOM 101 C ALA A 7 7.088 -11.467 5.144 1.00 0.00 C ATOM 102 O ALA A 7 6.621 -12.199 4.268 1.00 0.00 O ATOM 103 CB ALA A 7 9.583 -11.159 4.896 1.00 0.00 C ATOM 0 H ALA A 7 8.904 -9.373 6.435 1.00 0.00 H new ATOM 0 HA ALA A 7 8.007 -10.152 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.595 -12.044 4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.358 -10.466 4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.771 -11.452 5.929 1.00 0.00 H new ATOM 109 N GLU A 8 6.647 -11.489 6.407 1.00 0.00 N ATOM 110 CA GLU A 8 5.624 -12.399 6.946 1.00 0.00 C ATOM 111 C GLU A 8 4.185 -11.938 6.603 1.00 0.00 C ATOM 112 O GLU A 8 3.281 -11.959 7.440 1.00 0.00 O ATOM 113 CB GLU A 8 5.838 -12.586 8.463 1.00 0.00 C ATOM 114 CG GLU A 8 7.205 -13.188 8.814 1.00 0.00 C ATOM 115 CD GLU A 8 7.324 -13.419 10.329 1.00 0.00 C ATOM 116 OE1 GLU A 8 7.759 -12.493 11.055 1.00 0.00 O ATOM 117 OE2 GLU A 8 6.991 -14.531 10.809 1.00 0.00 O ATOM 0 H GLU A 8 7.007 -10.847 7.113 1.00 0.00 H new ATOM 0 HA GLU A 8 5.740 -13.369 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.736 -11.621 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.053 -13.231 8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.339 -14.132 8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.999 -12.520 8.479 1.00 0.00 H new ATOM 122 N ALA A 9 3.965 -11.481 5.365 1.00 0.00 N ATOM 123 CA ALA A 9 2.654 -11.062 4.865 1.00 0.00 C ATOM 124 C ALA A 9 1.658 -12.244 4.735 1.00 0.00 C ATOM 125 O ALA A 9 2.093 -13.389 4.562 1.00 0.00 O ATOM 126 CB ALA A 9 2.840 -10.334 3.527 1.00 0.00 C ATOM 0 H ALA A 9 4.707 -11.391 4.671 1.00 0.00 H new ATOM 0 HA ALA A 9 2.211 -10.382 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.869 -10.018 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.474 -9.460 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.309 -11.006 2.809 1.00 0.00 H new ATOM 132 N PRO A 10 0.341 -11.966 4.761 1.00 0.00 N ATOM 133 CA PRO A 10 -0.698 -12.961 4.519 1.00 0.00 C ATOM 134 C PRO A 10 -0.721 -13.424 3.057 1.00 0.00 C ATOM 135 O PRO A 10 -0.212 -12.753 2.159 1.00 0.00 O ATOM 136 CB PRO A 10 -2.007 -12.262 4.888 1.00 0.00 C ATOM 137 CG PRO A 10 -1.709 -10.797 4.581 1.00 0.00 C ATOM 138 CD PRO A 10 -0.262 -10.667 5.027 1.00 0.00 C ATOM 0 HA PRO A 10 -0.527 -13.863 5.107 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.845 -12.636 4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.263 -12.411 5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.831 -10.569 3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.367 -10.123 5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.249 -9.876 4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.198 -10.413 6.085 1.00 0.00 H new ATOM 143 N ALA A 11 -1.374 -14.566 2.817 1.00 0.00 N ATOM 144 CA ALA A 11 -1.818 -14.975 1.483 1.00 0.00 C ATOM 145 C ALA A 11 -3.111 -14.245 1.093 1.00 0.00 C ATOM 146 O ALA A 11 -3.898 -13.864 1.962 1.00 0.00 O ATOM 147 CB ALA A 11 -2.007 -16.504 1.481 1.00 0.00 C ATOM 0 H ALA A 11 -1.610 -15.236 3.549 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.068 -14.706 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.338 -16.828 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.061 -16.988 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.756 -16.779 2.224 1.00 0.00 H new ATOM 153 N ARG A 12 -3.380 -14.082 -0.210 1.00 0.00 N ATOM 154 CA ARG A 12 -4.547 -13.324 -0.710 1.00 0.00 C ATOM 155 C ARG A 12 -5.884 -13.935 -0.244 1.00 0.00 C ATOM 156 O ARG A 12 -6.839 -13.196 -0.021 1.00 0.00 O ATOM 157 CB ARG A 12 -4.451 -13.153 -2.244 1.00 0.00 C ATOM 158 CG ARG A 12 -4.802 -11.750 -2.782 1.00 0.00 C ATOM 159 CD ARG A 12 -6.278 -11.476 -3.113 1.00 0.00 C ATOM 160 NE ARG A 12 -7.065 -11.141 -1.915 1.00 0.00 N ATOM 161 CZ ARG A 12 -7.870 -10.099 -1.737 1.00 0.00 C ATOM 162 NH1 ARG A 12 -8.083 -9.188 -2.659 1.00 0.00 N ATOM 163 NH2 ARG A 12 -8.504 -9.957 -0.601 1.00 0.00 N ATOM 0 H ARG A 12 -2.797 -14.470 -0.952 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.527 -12.327 -0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.436 -13.399 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.114 -13.879 -2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.478 -11.015 -2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.215 -11.577 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.342 -10.656 -3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.709 -12.353 -3.595 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.983 -11.785 -1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.620 -9.261 -3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.712 -8.408 -2.469 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.379 -10.644 0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.123 -9.159 -0.459 1.00 0.00 H new ATOM 174 N ASP A 13 -5.953 -15.250 -0.027 1.00 0.00 N ATOM 175 CA ASP A 13 -7.128 -15.918 0.565 1.00 0.00 C ATOM 176 C ASP A 13 -7.377 -15.485 2.024 1.00 0.00 C ATOM 177 O ASP A 13 -8.511 -15.199 2.399 1.00 0.00 O ATOM 178 CB ASP A 13 -6.934 -17.440 0.485 1.00 0.00 C ATOM 179 CG ASP A 13 -8.188 -18.215 0.932 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.103 -18.410 0.098 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.248 -18.637 2.114 1.00 0.00 O ATOM 0 H ASP A 13 -5.193 -15.891 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.008 -15.621 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.684 -17.718 -0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.089 -17.729 1.110 1.00 0.00 H new ATOM 185 N GLU A 14 -6.318 -15.370 2.830 1.00 0.00 N ATOM 186 CA GLU A 14 -6.400 -14.895 4.213 1.00 0.00 C ATOM 187 C GLU A 14 -6.657 -13.376 4.282 1.00 0.00 C ATOM 188 O GLU A 14 -7.379 -12.900 5.160 1.00 0.00 O ATOM 189 CB GLU A 14 -5.110 -15.295 4.959 1.00 0.00 C ATOM 190 CG GLU A 14 -5.198 -15.036 6.464 1.00 0.00 C ATOM 191 CD GLU A 14 -4.004 -15.659 7.204 1.00 0.00 C ATOM 192 OE1 GLU A 14 -2.935 -15.005 7.297 1.00 0.00 O ATOM 193 OE2 GLU A 14 -4.121 -16.800 7.707 1.00 0.00 O ATOM 0 H GLU A 14 -5.370 -15.607 2.537 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.252 -15.367 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.908 -16.352 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.268 -14.738 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.225 -13.962 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.128 -15.451 6.854 1.00 0.00 H new ATOM 198 N LEU A 15 -6.130 -12.618 3.316 1.00 0.00 N ATOM 199 CA LEU A 15 -6.402 -11.192 3.127 1.00 0.00 C ATOM 200 C LEU A 15 -7.884 -10.937 2.806 1.00 0.00 C ATOM 201 O LEU A 15 -8.450 -9.951 3.260 1.00 0.00 O ATOM 202 CB LEU A 15 -5.492 -10.704 1.988 1.00 0.00 C ATOM 203 CG LEU A 15 -5.352 -9.178 1.916 1.00 0.00 C ATOM 204 CD1 LEU A 15 -4.294 -8.653 2.900 1.00 0.00 C ATOM 205 CD2 LEU A 15 -4.904 -8.795 0.508 1.00 0.00 C ATOM 0 H LEU A 15 -5.482 -12.993 2.623 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.194 -10.643 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.503 -11.145 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.886 -11.068 1.039 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.318 -8.742 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.226 -7.568 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.578 -8.922 3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.326 -9.096 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.800 -7.712 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.945 -9.266 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.646 -9.133 -0.215 1.00 0.00 H new ATOM 216 N ASP A 16 -8.540 -11.832 2.059 1.00 0.00 N ATOM 217 CA ASP A 16 -9.975 -11.763 1.734 1.00 0.00 C ATOM 218 C ASP A 16 -10.896 -11.933 2.964 1.00 0.00 C ATOM 219 O ASP A 16 -12.097 -11.666 2.877 1.00 0.00 O ATOM 220 CB ASP A 16 -10.287 -12.787 0.634 1.00 0.00 C ATOM 221 CG ASP A 16 -11.694 -12.619 0.038 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.962 -11.552 -0.565 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.507 -13.572 0.129 1.00 0.00 O ATOM 0 H ASP A 16 -8.079 -12.646 1.652 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.189 -10.758 1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.548 -12.694 -0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.190 -13.793 1.043 1.00 0.00 H new ATOM 227 N ARG A 17 -10.347 -12.318 4.125 1.00 0.00 N ATOM 228 CA ARG A 17 -11.067 -12.282 5.402 1.00 0.00 C ATOM 229 C ARG A 17 -11.199 -10.857 5.978 1.00 0.00 C ATOM 230 O ARG A 17 -12.044 -10.647 6.855 1.00 0.00 O ATOM 231 CB ARG A 17 -10.395 -13.204 6.429 1.00 0.00 C ATOM 232 CG ARG A 17 -10.196 -14.668 5.986 1.00 0.00 C ATOM 233 CD ARG A 17 -11.495 -15.359 5.543 1.00 0.00 C ATOM 234 NE ARG A 17 -11.395 -16.829 5.610 1.00 0.00 N ATOM 235 CZ ARG A 17 -10.692 -17.633 4.814 1.00 0.00 C ATOM 236 NH1 ARG A 17 -9.947 -17.182 3.832 1.00 0.00 N ATOM 237 NH2 ARG A 17 -10.729 -18.934 4.999 1.00 0.00 N ATOM 0 H ARG A 17 -9.390 -12.663 4.203 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.076 -12.639 5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.421 -12.785 6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.992 -13.198 7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.481 -14.696 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.757 -15.231 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.317 -15.023 6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.734 -15.059 4.523 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.926 -17.283 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.890 -16.179 3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.425 -17.834 3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.295 -19.326 5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.191 -19.551 4.390 1.00 0.00 H new ATOM 248 N LEU A 18 -10.381 -9.880 5.536 1.00 0.00 N ATOM 249 CA LEU A 18 -10.460 -8.492 6.035 1.00 0.00 C ATOM 250 C LEU A 18 -11.686 -7.745 5.491 1.00 0.00 C ATOM 251 O LEU A 18 -12.204 -8.098 4.433 1.00 0.00 O ATOM 252 CB LEU A 18 -9.115 -7.742 5.836 1.00 0.00 C ATOM 253 CG LEU A 18 -8.831 -7.050 4.478 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.456 -5.651 4.345 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.308 -6.897 4.309 1.00 0.00 C ATOM 0 H LEU A 18 -9.657 -10.027 4.833 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.619 -8.531 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.045 -6.981 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.311 -8.456 6.015 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.281 -7.683 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.212 -5.235 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.539 -5.725 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.061 -5.000 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.095 -6.411 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.911 -6.291 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.839 -7.881 4.327 1.00 0.00 H new ATOM 266 N ALA A 19 -12.130 -6.695 6.201 1.00 0.00 N ATOM 267 CA ALA A 19 -13.260 -5.847 5.794 1.00 0.00 C ATOM 268 C ALA A 19 -13.000 -4.332 5.854 1.00 0.00 C ATOM 269 O ALA A 19 -13.704 -3.571 5.186 1.00 0.00 O ATOM 270 CB ALA A 19 -14.463 -6.237 6.661 1.00 0.00 C ATOM 0 H ALA A 19 -11.708 -6.409 7.085 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.444 -6.032 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.323 -5.626 6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.700 -7.289 6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.223 -6.073 7.712 1.00 0.00 H new ATOM 276 N GLY A 20 -11.999 -3.869 6.617 1.00 0.00 N ATOM 277 CA GLY A 20 -11.734 -2.436 6.820 1.00 0.00 C ATOM 278 C GLY A 20 -10.942 -1.781 5.680 1.00 0.00 C ATOM 279 O GLY A 20 -10.485 -2.486 4.776 1.00 0.00 O ATOM 0 H GLY A 20 -11.348 -4.479 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.684 -1.914 6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.184 -2.307 7.752 1.00 0.00 H new ATOM 283 N PRO A 21 -10.783 -0.441 5.706 1.00 0.00 N ATOM 284 CA PRO A 21 -9.967 0.293 4.747 1.00 0.00 C ATOM 285 C PRO A 21 -8.486 0.002 5.010 1.00 0.00 C ATOM 286 O PRO A 21 -7.925 0.446 6.013 1.00 0.00 O ATOM 287 CB PRO A 21 -10.327 1.772 4.933 1.00 0.00 C ATOM 288 CG PRO A 21 -10.771 1.853 6.394 1.00 0.00 C ATOM 289 CD PRO A 21 -11.389 0.477 6.665 1.00 0.00 C ATOM 0 HA PRO A 21 -10.154 -0.001 3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.473 2.420 4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.123 2.079 4.254 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.929 2.051 7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.494 2.654 6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.191 0.157 7.688 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.472 0.507 6.544 1.00 0.00 H new ATOM 294 N THR A 22 -7.862 -0.753 4.101 1.00 0.00 N ATOM 295 CA THR A 22 -6.471 -1.218 4.216 1.00 0.00 C ATOM 296 C THR A 22 -5.744 -0.971 2.907 1.00 0.00 C ATOM 297 O THR A 22 -6.090 -1.547 1.882 1.00 0.00 O ATOM 298 CB THR A 22 -6.427 -2.711 4.572 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.013 -2.877 5.844 1.00 0.00 O ATOM 300 CG2 THR A 22 -4.997 -3.262 4.648 1.00 0.00 C ATOM 0 H THR A 22 -8.318 -1.067 3.244 1.00 0.00 H new ATOM 0 HA THR A 22 -5.978 -0.663 5.014 1.00 0.00 H new ATOM 0 HB THR A 22 -6.958 -3.251 3.788 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.997 -3.825 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.028 -4.321 4.903 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.507 -3.135 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.439 -2.721 5.412 1.00 0.00 H new ATOM 308 N LEU A 23 -4.696 -0.152 2.944 1.00 0.00 N ATOM 309 CA LEU A 23 -3.751 -0.025 1.846 1.00 0.00 C ATOM 310 C LEU A 23 -2.717 -1.155 1.941 1.00 0.00 C ATOM 311 O LEU A 23 -2.109 -1.338 2.996 1.00 0.00 O ATOM 312 CB LEU A 23 -3.119 1.381 1.918 1.00 0.00 C ATOM 313 CG LEU A 23 -2.185 1.718 0.740 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.872 1.462 -0.596 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.698 3.158 0.816 1.00 0.00 C ATOM 0 H LEU A 23 -4.480 0.444 3.743 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.238 -0.123 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.916 2.123 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.557 1.467 2.848 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.319 1.061 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.189 1.708 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.154 0.411 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.765 2.083 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.041 3.365 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.553 3.833 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.151 3.308 1.747 1.00 0.00 H new ATOM 326 N VAL A 24 -2.483 -1.883 0.849 1.00 0.00 N ATOM 327 CA VAL A 24 -1.407 -2.888 0.750 1.00 0.00 C ATOM 328 C VAL A 24 -0.308 -2.355 -0.166 1.00 0.00 C ATOM 329 O VAL A 24 -0.567 -2.091 -1.335 1.00 0.00 O ATOM 330 CB VAL A 24 -1.925 -4.259 0.252 1.00 0.00 C ATOM 331 CG1 VAL A 24 -0.825 -5.323 0.384 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.166 -4.730 1.036 1.00 0.00 C ATOM 0 H VAL A 24 -3.036 -1.796 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.005 -3.057 1.749 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.205 -4.131 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.203 -6.282 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.038 -5.030 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.529 -5.413 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.494 -5.696 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.914 -4.826 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.968 -4.002 0.919 1.00 0.00 H new ATOM 342 N GLU A 25 0.895 -2.176 0.384 1.00 0.00 N ATOM 343 CA GLU A 25 2.067 -1.613 -0.289 1.00 0.00 C ATOM 344 C GLU A 25 3.152 -2.664 -0.495 1.00 0.00 C ATOM 345 O GLU A 25 3.484 -3.436 0.409 1.00 0.00 O ATOM 346 CB GLU A 25 2.616 -0.440 0.540 1.00 0.00 C ATOM 347 CG GLU A 25 3.916 0.159 -0.009 1.00 0.00 C ATOM 348 CD GLU A 25 4.406 1.355 0.812 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.838 1.161 1.968 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.448 2.476 0.252 1.00 0.00 O ATOM 0 H GLU A 25 1.087 -2.431 1.353 1.00 0.00 H new ATOM 0 HA GLU A 25 1.761 -1.258 -1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.859 0.343 0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.788 -0.780 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.689 -0.609 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.760 0.471 -1.042 1.00 0.00 H new ATOM 355 N PHE A 26 3.756 -2.629 -1.684 1.00 0.00 N ATOM 356 CA PHE A 26 4.823 -3.537 -2.108 1.00 0.00 C ATOM 357 C PHE A 26 6.134 -2.771 -2.317 1.00 0.00 C ATOM 358 O PHE A 26 6.145 -1.698 -2.928 1.00 0.00 O ATOM 359 CB PHE A 26 4.356 -4.249 -3.385 1.00 0.00 C ATOM 360 CG PHE A 26 2.995 -4.896 -3.220 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.879 -6.161 -2.611 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.828 -4.201 -3.597 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.613 -6.710 -2.354 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.562 -4.751 -3.343 1.00 0.00 C ATOM 365 CZ PHE A 26 0.455 -6.002 -2.717 1.00 0.00 C ATOM 0 H PHE A 26 3.508 -1.947 -2.401 1.00 0.00 H new ATOM 0 HA PHE A 26 5.025 -4.282 -1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.317 -3.531 -4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.086 -5.010 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.768 -6.711 -2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.909 -3.240 -4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.529 -7.676 -1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.329 -4.212 -3.629 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.519 -6.422 -2.514 1.00 0.00 H new ATOM 374 N GLY A 27 7.243 -3.306 -1.802 1.00 0.00 N ATOM 375 CA GLY A 27 8.574 -2.684 -1.871 1.00 0.00 C ATOM 376 C GLY A 27 9.592 -3.280 -0.897 1.00 0.00 C ATOM 377 O GLY A 27 9.418 -4.422 -0.476 1.00 0.00 O ATOM 0 H GLY A 27 7.245 -4.202 -1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.957 -2.783 -2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.476 -1.617 -1.670 1.00 0.00 H new ATOM 381 N THR A 28 10.646 -2.531 -0.544 1.00 0.00 N ATOM 382 CA THR A 28 11.660 -2.900 0.469 1.00 0.00 C ATOM 383 C THR A 28 12.138 -1.660 1.222 1.00 0.00 C ATOM 384 O THR A 28 11.836 -0.529 0.854 1.00 0.00 O ATOM 385 CB THR A 28 12.876 -3.618 -0.139 1.00 0.00 C ATOM 386 OG1 THR A 28 13.564 -2.745 -1.003 1.00 0.00 O ATOM 387 CG2 THR A 28 12.516 -4.906 -0.879 1.00 0.00 C ATOM 0 H THR A 28 10.827 -1.620 -0.966 1.00 0.00 H new ATOM 0 HA THR A 28 11.171 -3.593 1.154 1.00 0.00 H new ATOM 0 HB THR A 28 13.515 -3.908 0.695 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.523 -2.946 -0.975 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.422 -5.359 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.039 -5.601 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.831 -4.677 -1.695 1.00 0.00 H new ATOM 395 N ASP A 29 12.917 -1.858 2.284 1.00 0.00 N ATOM 396 CA ASP A 29 13.460 -0.750 3.086 1.00 0.00 C ATOM 397 C ASP A 29 14.636 -0.024 2.394 1.00 0.00 C ATOM 398 O ASP A 29 15.093 1.018 2.864 1.00 0.00 O ATOM 399 CB ASP A 29 13.859 -1.328 4.453 1.00 0.00 C ATOM 400 CG ASP A 29 14.329 -0.255 5.451 1.00 0.00 C ATOM 401 OD1 ASP A 29 13.553 0.687 5.734 1.00 0.00 O ATOM 402 OD2 ASP A 29 15.454 -0.392 5.987 1.00 0.00 O ATOM 0 H ASP A 29 13.191 -2.783 2.616 1.00 0.00 H new ATOM 0 HA ASP A 29 12.699 0.021 3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.008 -1.862 4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.656 -2.059 4.313 1.00 0.00 H new ATOM 406 N TRP A 30 15.127 -0.574 1.279 1.00 0.00 N ATOM 407 CA TRP A 30 16.447 -0.279 0.714 1.00 0.00 C ATOM 408 C TRP A 30 16.467 0.080 -0.790 1.00 0.00 C ATOM 409 O TRP A 30 17.483 0.611 -1.246 1.00 0.00 O ATOM 410 CB TRP A 30 17.361 -1.474 1.034 1.00 0.00 C ATOM 411 CG TRP A 30 16.864 -2.842 0.673 1.00 0.00 C ATOM 412 CD1 TRP A 30 16.336 -3.742 1.532 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.880 -3.500 -0.631 1.00 0.00 C ATOM 414 NE1 TRP A 30 16.029 -4.908 0.856 1.00 0.00 N ATOM 415 CE2 TRP A 30 16.326 -4.805 -0.486 1.00 0.00 C ATOM 416 CE3 TRP A 30 17.308 -3.122 -1.924 1.00 0.00 C ATOM 417 CZ2 TRP A 30 16.191 -5.691 -1.564 1.00 0.00 C ATOM 418 CZ3 TRP A 30 17.178 -3.998 -3.015 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.620 -5.279 -2.839 1.00 0.00 C ATOM 0 H TRP A 30 14.603 -1.255 0.730 1.00 0.00 H new ATOM 0 HA TRP A 30 16.808 0.638 1.180 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.312 -1.316 0.525 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.567 -1.463 2.104 1.00 0.00 H new ATOM 0 HD1 TRP A 30 16.178 -3.575 2.587 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.633 -5.739 1.295 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.742 -2.145 -2.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.765 -6.673 -1.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.508 -3.687 -3.995 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.521 -5.945 -3.683 1.00 0.00 H new ATOM 429 N CYS A 31 15.389 -0.142 -1.557 1.00 0.00 N ATOM 430 CA CYS A 31 15.320 0.305 -2.953 1.00 0.00 C ATOM 431 C CYS A 31 15.155 1.834 -3.056 1.00 0.00 C ATOM 432 O CYS A 31 14.405 2.436 -2.282 1.00 0.00 O ATOM 433 CB CYS A 31 14.186 -0.417 -3.693 1.00 0.00 C ATOM 434 SG CYS A 31 14.177 0.083 -5.452 1.00 0.00 S ATOM 0 H CYS A 31 14.554 -0.629 -1.232 1.00 0.00 H new ATOM 0 HA CYS A 31 16.266 0.048 -3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 31 14.316 -1.496 -3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.228 -0.177 -3.232 1.00 0.00 H new ATOM 0 HG CYS A 31 13.216 -0.533 -6.073 1.00 0.00 H new ATOM 439 N GLY A 32 15.799 2.448 -4.059 1.00 0.00 N ATOM 440 CA GLY A 32 15.709 3.880 -4.370 1.00 0.00 C ATOM 441 C GLY A 32 14.312 4.327 -4.806 1.00 0.00 C ATOM 442 O GLY A 32 13.962 5.487 -4.594 1.00 0.00 O ATOM 0 H GLY A 32 16.416 1.944 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.007 4.453 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.420 4.117 -5.161 1.00 0.00 H new ATOM 446 N HIS A 33 13.477 3.426 -5.324 1.00 0.00 N ATOM 447 CA HIS A 33 12.047 3.687 -5.514 1.00 0.00 C ATOM 448 C HIS A 33 11.352 3.916 -4.159 1.00 0.00 C ATOM 449 O HIS A 33 10.621 4.892 -3.968 1.00 0.00 O ATOM 450 CB HIS A 33 11.392 2.475 -6.201 1.00 0.00 C ATOM 451 CG HIS A 33 11.639 2.287 -7.674 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.845 1.077 -8.294 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.434 3.217 -8.656 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.738 1.270 -9.620 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.503 2.568 -9.894 1.00 0.00 N ATOM 0 H HIS A 33 13.770 2.496 -5.624 1.00 0.00 H new ATOM 0 HA HIS A 33 11.939 4.580 -6.130 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.730 1.575 -5.687 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.315 2.544 -6.048 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.251 4.270 -8.502 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.828 0.492 -10.363 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.397 2.991 -10.816 1.00 0.00 H new ATOM 463 N CYS A 34 11.600 3.020 -3.197 1.00 0.00 N ATOM 464 CA CYS A 34 11.038 3.094 -1.851 1.00 0.00 C ATOM 465 C CYS A 34 11.518 4.309 -1.064 1.00 0.00 C ATOM 466 O CYS A 34 10.731 4.883 -0.317 1.00 0.00 O ATOM 467 CB CYS A 34 11.379 1.794 -1.129 1.00 0.00 C ATOM 468 SG CYS A 34 10.108 0.581 -1.577 1.00 0.00 S ATOM 0 H CYS A 34 12.207 2.212 -3.338 1.00 0.00 H new ATOM 0 HA CYS A 34 9.958 3.218 -1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.368 1.440 -1.421 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.401 1.948 -0.050 1.00 0.00 H new ATOM 0 HG CYS A 34 10.568 -0.208 -2.502 1.00 0.00 H new ATOM 473 N GLN A 35 12.766 4.746 -1.241 1.00 0.00 N ATOM 474 CA GLN A 35 13.281 5.896 -0.482 1.00 0.00 C ATOM 475 C GLN A 35 12.529 7.196 -0.820 1.00 0.00 C ATOM 476 O GLN A 35 12.492 8.125 -0.017 1.00 0.00 O ATOM 477 CB GLN A 35 14.777 6.121 -0.740 1.00 0.00 C ATOM 478 CG GLN A 35 15.676 4.903 -0.517 1.00 0.00 C ATOM 479 CD GLN A 35 15.402 4.134 0.770 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.634 4.602 1.879 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.901 2.924 0.660 1.00 0.00 N ATOM 0 H GLN A 35 13.433 4.331 -1.892 1.00 0.00 H new ATOM 0 HA GLN A 35 13.123 5.653 0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.903 6.460 -1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.122 6.928 -0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.560 4.224 -1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.715 5.232 -0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.708 2.534 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.705 2.375 1.497 1.00 0.00 H new ATOM 488 N ALA A 36 11.920 7.247 -2.009 1.00 0.00 N ATOM 489 CA ALA A 36 11.082 8.344 -2.481 1.00 0.00 C ATOM 490 C ALA A 36 9.603 8.182 -2.073 1.00 0.00 C ATOM 491 O ALA A 36 8.953 9.169 -1.743 1.00 0.00 O ATOM 492 CB ALA A 36 11.234 8.400 -4.008 1.00 0.00 C ATOM 0 H ALA A 36 12.003 6.494 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 36 11.406 9.277 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.622 9.210 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.279 8.576 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.909 7.454 -4.441 1.00 0.00 H new ATOM 498 N ALA A 37 9.074 6.951 -2.080 1.00 0.00 N ATOM 499 CA ALA A 37 7.664 6.679 -1.804 1.00 0.00 C ATOM 500 C ALA A 37 7.358 6.507 -0.300 1.00 0.00 C ATOM 501 O ALA A 37 6.264 6.839 0.147 1.00 0.00 O ATOM 502 CB ALA A 37 7.227 5.450 -2.615 1.00 0.00 C ATOM 0 H ALA A 37 9.620 6.113 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 37 7.086 7.550 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.176 5.238 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.363 5.649 -3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.831 4.590 -2.327 1.00 0.00 H new ATOM 508 N GLN A 38 8.317 6.041 0.501 1.00 0.00 N ATOM 509 CA GLN A 38 8.137 5.868 1.946 1.00 0.00 C ATOM 510 C GLN A 38 7.839 7.186 2.686 1.00 0.00 C ATOM 511 O GLN A 38 6.818 7.232 3.383 1.00 0.00 O ATOM 512 CB GLN A 38 9.350 5.151 2.564 1.00 0.00 C ATOM 513 CG GLN A 38 9.390 3.625 2.367 1.00 0.00 C ATOM 514 CD GLN A 38 8.126 2.923 2.872 1.00 0.00 C ATOM 515 OE1 GLN A 38 7.932 2.694 4.060 1.00 0.00 O ATOM 516 NE2 GLN A 38 7.218 2.602 1.980 1.00 0.00 N ATOM 0 H GLN A 38 9.243 5.772 0.167 1.00 0.00 H new ATOM 0 HA GLN A 38 7.253 5.243 2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.258 5.578 2.139 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.369 5.362 3.633 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.523 3.404 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.257 3.219 2.888 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.383 2.794 0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.347 2.160 2.275 1.00 0.00 H new ATOM 523 N PRO A 39 8.630 8.274 2.532 1.00 0.00 N ATOM 524 CA PRO A 39 8.298 9.562 3.136 1.00 0.00 C ATOM 525 C PRO A 39 7.053 10.201 2.505 1.00 0.00 C ATOM 526 O PRO A 39 6.454 11.081 3.117 1.00 0.00 O ATOM 527 CB PRO A 39 9.541 10.440 2.964 1.00 0.00 C ATOM 528 CG PRO A 39 10.185 9.883 1.698 1.00 0.00 C ATOM 529 CD PRO A 39 9.890 8.389 1.799 1.00 0.00 C ATOM 0 HA PRO A 39 8.042 9.441 4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.279 11.492 2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.209 10.366 3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.753 10.321 0.798 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.256 10.083 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.808 7.940 0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.693 7.867 2.320 1.00 0.00 H new ATOM 534 N LEU A 40 6.631 9.737 1.322 1.00 0.00 N ATOM 535 CA LEU A 40 5.392 10.166 0.673 1.00 0.00 C ATOM 536 C LEU A 40 4.193 9.631 1.453 1.00 0.00 C ATOM 537 O LEU A 40 3.385 10.416 1.952 1.00 0.00 O ATOM 538 CB LEU A 40 5.366 9.656 -0.780 1.00 0.00 C ATOM 539 CG LEU A 40 4.969 10.639 -1.880 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.720 11.449 -1.512 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.130 11.561 -2.266 1.00 0.00 C ATOM 0 H LEU A 40 7.150 9.043 0.784 1.00 0.00 H new ATOM 0 HA LEU A 40 5.342 11.255 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.359 9.273 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.679 8.811 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 40 4.718 10.038 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.478 12.133 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.883 10.771 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.911 12.019 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.806 12.245 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.446 12.133 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.965 10.962 -2.628 1.00 0.00 H new ATOM 552 N LEU A 41 4.120 8.297 1.598 1.00 0.00 N ATOM 553 CA LEU A 41 3.036 7.607 2.299 1.00 0.00 C ATOM 554 C LEU A 41 2.970 8.101 3.737 1.00 0.00 C ATOM 555 O LEU A 41 1.886 8.411 4.207 1.00 0.00 O ATOM 556 CB LEU A 41 3.184 6.066 2.248 1.00 0.00 C ATOM 557 CG LEU A 41 2.496 5.354 1.066 1.00 0.00 C ATOM 558 CD1 LEU A 41 1.019 5.720 0.891 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.300 5.573 -0.216 1.00 0.00 C ATOM 0 H LEU A 41 4.826 7.663 1.224 1.00 0.00 H new ATOM 0 HA LEU A 41 2.102 7.841 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.247 5.825 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.786 5.653 3.175 1.00 0.00 H new ATOM 0 HG LEU A 41 2.486 4.290 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.608 5.178 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.468 5.451 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.928 6.792 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.807 5.067 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.363 6.640 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.304 5.168 -0.089 1.00 0.00 H new ATOM 570 N ALA A 42 4.121 8.258 4.394 1.00 0.00 N ATOM 571 CA ALA A 42 4.213 8.789 5.759 1.00 0.00 C ATOM 572 C ALA A 42 3.563 10.185 5.912 1.00 0.00 C ATOM 573 O ALA A 42 2.898 10.447 6.919 1.00 0.00 O ATOM 574 CB ALA A 42 5.693 8.819 6.156 1.00 0.00 C ATOM 0 H ALA A 42 5.026 8.018 3.990 1.00 0.00 H new ATOM 0 HA ALA A 42 3.650 8.136 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.790 9.210 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.101 7.809 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.242 9.459 5.465 1.00 0.00 H new ATOM 580 N GLU A 43 3.710 11.053 4.908 1.00 0.00 N ATOM 581 CA GLU A 43 3.112 12.396 4.913 1.00 0.00 C ATOM 582 C GLU A 43 1.600 12.352 4.692 1.00 0.00 C ATOM 583 O GLU A 43 0.863 12.984 5.449 1.00 0.00 O ATOM 584 CB GLU A 43 3.777 13.289 3.857 1.00 0.00 C ATOM 585 CG GLU A 43 5.163 13.777 4.293 1.00 0.00 C ATOM 586 CD GLU A 43 5.077 14.953 5.278 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.888 16.112 4.837 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.218 14.733 6.504 1.00 0.00 O ATOM 0 H GLU A 43 4.247 10.847 4.066 1.00 0.00 H new ATOM 0 HA GLU A 43 3.288 12.822 5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.867 12.736 2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.138 14.149 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.707 12.955 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.733 14.081 3.415 1.00 0.00 H new ATOM 593 N VAL A 44 1.118 11.583 3.704 1.00 0.00 N ATOM 594 CA VAL A 44 -0.326 11.440 3.460 1.00 0.00 C ATOM 595 C VAL A 44 -1.043 10.730 4.625 1.00 0.00 C ATOM 596 O VAL A 44 -2.019 11.271 5.144 1.00 0.00 O ATOM 597 CB VAL A 44 -0.655 10.817 2.082 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.083 9.541 1.733 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.144 10.509 1.924 1.00 0.00 C ATOM 0 H VAL A 44 1.706 11.051 3.062 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.727 12.453 3.419 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.320 11.600 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.229 9.199 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.156 9.731 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.147 8.774 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.323 10.074 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.453 9.804 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.719 11.430 2.023 1.00 0.00 H new ATOM 609 N PHE A 45 -0.543 9.575 5.078 1.00 0.00 N ATOM 610 CA PHE A 45 -1.154 8.766 6.151 1.00 0.00 C ATOM 611 C PHE A 45 -1.349 9.526 7.468 1.00 0.00 C ATOM 612 O PHE A 45 -2.253 9.191 8.231 1.00 0.00 O ATOM 613 CB PHE A 45 -0.330 7.494 6.444 1.00 0.00 C ATOM 614 CG PHE A 45 -0.870 6.208 5.852 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.057 5.654 6.368 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.168 5.525 4.838 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.523 4.422 5.880 1.00 0.00 C ATOM 618 CE2 PHE A 45 -0.628 4.284 4.375 1.00 0.00 C ATOM 619 CZ PHE A 45 -1.820 3.738 4.878 1.00 0.00 C ATOM 0 H PHE A 45 0.313 9.164 4.706 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.139 8.502 5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.683 7.646 6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.257 7.372 7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.608 6.175 7.137 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.727 5.959 4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.432 3.997 6.281 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.063 3.746 3.628 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.192 2.799 4.496 1.00 0.00 H new ATOM 628 N SER A 46 -0.531 10.544 7.742 1.00 0.00 N ATOM 629 CA SER A 46 -0.660 11.388 8.938 1.00 0.00 C ATOM 630 C SER A 46 -1.990 12.172 9.013 1.00 0.00 C ATOM 631 O SER A 46 -2.390 12.591 10.101 1.00 0.00 O ATOM 632 CB SER A 46 0.531 12.357 9.042 1.00 0.00 C ATOM 633 OG SER A 46 1.757 11.671 9.284 1.00 0.00 O ATOM 0 H SER A 46 0.246 10.810 7.138 1.00 0.00 H new ATOM 0 HA SER A 46 -0.662 10.704 9.787 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.613 12.931 8.119 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.349 13.070 9.846 1.00 0.00 H new ATOM 0 HG SER A 46 2.085 11.282 8.447 1.00 0.00 H new ATOM 638 N ASP A 47 -2.713 12.331 7.892 1.00 0.00 N ATOM 639 CA ASP A 47 -4.058 12.919 7.841 1.00 0.00 C ATOM 640 C ASP A 47 -5.182 11.862 7.756 1.00 0.00 C ATOM 641 O ASP A 47 -6.354 12.211 7.884 1.00 0.00 O ATOM 642 CB ASP A 47 -4.119 13.899 6.656 1.00 0.00 C ATOM 643 CG ASP A 47 -5.269 14.908 6.785 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.300 15.660 7.792 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.121 14.986 5.868 1.00 0.00 O ATOM 0 H ASP A 47 -2.368 12.047 6.975 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.234 13.449 8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.174 14.437 6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.236 13.337 5.730 1.00 0.00 H new ATOM 649 N TYR A 48 -4.833 10.583 7.562 1.00 0.00 N ATOM 650 CA TYR A 48 -5.777 9.456 7.418 1.00 0.00 C ATOM 651 C TYR A 48 -5.469 8.258 8.355 1.00 0.00 C ATOM 652 O TYR A 48 -5.447 7.104 7.893 1.00 0.00 O ATOM 653 CB TYR A 48 -5.837 9.026 5.939 1.00 0.00 C ATOM 654 CG TYR A 48 -6.119 10.165 4.980 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.425 10.685 4.857 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.066 10.757 4.263 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.670 11.795 4.031 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.289 11.909 3.487 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.597 12.432 3.362 1.00 0.00 C ATOM 660 OH TYR A 48 -6.815 13.554 2.625 1.00 0.00 O ATOM 0 H TYR A 48 -3.858 10.291 7.498 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.758 9.810 7.735 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.889 8.561 5.667 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.610 8.266 5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.239 10.228 5.400 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.077 10.324 4.308 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.678 12.163 3.906 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.463 12.393 2.988 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.969 13.860 2.236 1.00 0.00 H new ATOM 669 N PRO A 49 -5.226 8.470 9.670 1.00 0.00 N ATOM 670 CA PRO A 49 -4.801 7.413 10.595 1.00 0.00 C ATOM 671 C PRO A 49 -5.816 6.271 10.776 1.00 0.00 C ATOM 672 O PRO A 49 -5.440 5.213 11.272 1.00 0.00 O ATOM 673 CB PRO A 49 -4.517 8.117 11.923 1.00 0.00 C ATOM 674 CG PRO A 49 -5.407 9.356 11.869 1.00 0.00 C ATOM 675 CD PRO A 49 -5.364 9.729 10.392 1.00 0.00 C ATOM 0 HA PRO A 49 -3.924 6.910 10.187 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.764 7.483 12.774 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.464 8.383 12.019 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.422 9.142 12.204 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.025 10.158 12.501 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.272 10.253 10.094 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.527 10.395 10.181 1.00 0.00 H new ATOM 680 N GLU A 50 -7.076 6.446 10.357 1.00 0.00 N ATOM 681 CA GLU A 50 -8.093 5.387 10.350 1.00 0.00 C ATOM 682 C GLU A 50 -7.900 4.342 9.230 1.00 0.00 C ATOM 683 O GLU A 50 -8.479 3.261 9.315 1.00 0.00 O ATOM 684 CB GLU A 50 -9.513 5.977 10.336 1.00 0.00 C ATOM 685 CG GLU A 50 -9.908 6.745 9.072 1.00 0.00 C ATOM 686 CD GLU A 50 -9.578 8.242 9.176 1.00 0.00 C ATOM 687 OE1 GLU A 50 -8.377 8.585 9.139 1.00 0.00 O ATOM 688 OE2 GLU A 50 -10.514 9.068 9.309 1.00 0.00 O ATOM 0 H GLU A 50 -7.422 7.340 10.008 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.958 4.840 11.283 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.224 5.164 10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.616 6.646 11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.389 6.319 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.976 6.622 8.893 1.00 0.00 H new ATOM 693 N VAL A 51 -7.093 4.635 8.207 1.00 0.00 N ATOM 694 CA VAL A 51 -6.678 3.670 7.173 1.00 0.00 C ATOM 695 C VAL A 51 -5.510 2.833 7.723 1.00 0.00 C ATOM 696 O VAL A 51 -4.606 3.370 8.366 1.00 0.00 O ATOM 697 CB VAL A 51 -6.294 4.366 5.842 1.00 0.00 C ATOM 698 CG1 VAL A 51 -5.935 3.361 4.733 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.434 5.254 5.327 1.00 0.00 C ATOM 0 H VAL A 51 -6.700 5.566 8.067 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.521 3.020 6.940 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.417 4.972 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.674 3.901 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.086 2.755 5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.790 2.714 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.133 5.727 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.321 4.644 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.659 6.022 6.067 1.00 0.00 H new ATOM 709 N GLY A 52 -5.521 1.517 7.477 1.00 0.00 N ATOM 710 CA GLY A 52 -4.423 0.592 7.815 1.00 0.00 C ATOM 711 C GLY A 52 -3.400 0.485 6.680 1.00 0.00 C ATOM 712 O GLY A 52 -3.759 0.646 5.516 1.00 0.00 O ATOM 0 H GLY A 52 -6.310 1.052 7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.925 0.935 8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.832 -0.395 8.030 1.00 0.00 H new ATOM 716 N HIS A 53 -2.143 0.168 6.991 1.00 0.00 N ATOM 717 CA HIS A 53 -1.097 -0.074 5.986 1.00 0.00 C ATOM 718 C HIS A 53 -0.439 -1.455 6.169 1.00 0.00 C ATOM 719 O HIS A 53 0.019 -1.784 7.267 1.00 0.00 O ATOM 720 CB HIS A 53 -0.032 1.037 6.059 1.00 0.00 C ATOM 721 CG HIS A 53 0.725 1.282 4.768 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.924 1.952 4.636 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.302 1.004 3.493 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.199 2.066 3.321 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.221 1.526 2.591 1.00 0.00 N ATOM 0 H HIS A 53 -1.816 0.070 7.952 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.568 -0.062 5.003 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.517 1.966 6.361 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.684 0.783 6.840 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.502 2.301 5.401 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.598 0.467 3.233 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.086 2.529 2.915 1.00 0.00 H new ATOM 733 N LEU A 54 -0.369 -2.248 5.093 1.00 0.00 N ATOM 734 CA LEU A 54 0.341 -3.525 5.041 1.00 0.00 C ATOM 735 C LEU A 54 1.557 -3.395 4.119 1.00 0.00 C ATOM 736 O LEU A 54 1.430 -3.388 2.896 1.00 0.00 O ATOM 737 CB LEU A 54 -0.648 -4.623 4.589 1.00 0.00 C ATOM 738 CG LEU A 54 -0.042 -6.026 4.374 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.680 -6.562 5.620 1.00 0.00 C ATOM 740 CD2 LEU A 54 -1.151 -7.010 3.968 1.00 0.00 C ATOM 0 H LEU A 54 -0.819 -2.009 4.210 1.00 0.00 H new ATOM 0 HA LEU A 54 0.720 -3.808 6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.440 -4.700 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.116 -4.303 3.658 1.00 0.00 H new ATOM 0 HG LEU A 54 0.701 -5.934 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.085 -7.551 5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.493 -5.887 5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.025 -6.628 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.721 -8.000 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.902 -7.057 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.617 -6.671 3.043 1.00 0.00 H new ATOM 751 N LYS A 55 2.745 -3.293 4.709 1.00 0.00 N ATOM 752 CA LYS A 55 4.017 -3.192 3.994 1.00 0.00 C ATOM 753 C LYS A 55 4.588 -4.575 3.657 1.00 0.00 C ATOM 754 O LYS A 55 5.274 -5.189 4.476 1.00 0.00 O ATOM 755 CB LYS A 55 4.986 -2.356 4.846 1.00 0.00 C ATOM 756 CG LYS A 55 4.999 -0.902 4.378 1.00 0.00 C ATOM 757 CD LYS A 55 5.711 0.059 5.329 1.00 0.00 C ATOM 758 CE LYS A 55 4.963 0.206 6.659 1.00 0.00 C ATOM 759 NZ LYS A 55 5.465 1.383 7.407 1.00 0.00 N ATOM 0 H LYS A 55 2.854 -3.278 5.723 1.00 0.00 H new ATOM 0 HA LYS A 55 3.862 -2.695 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.690 -2.403 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.990 -2.774 4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.481 -0.851 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.971 -0.567 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.722 -0.301 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.804 1.036 4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.895 0.314 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.092 -0.696 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.949 1.469 8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.480 1.264 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.319 2.243 6.840 1.00 0.00 H new ATOM 769 N VAL A 56 4.341 -5.054 2.442 1.00 0.00 N ATOM 770 CA VAL A 56 4.842 -6.330 1.912 1.00 0.00 C ATOM 771 C VAL A 56 6.239 -6.141 1.354 1.00 0.00 C ATOM 772 O VAL A 56 6.450 -5.413 0.381 1.00 0.00 O ATOM 773 CB VAL A 56 3.907 -6.895 0.825 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.383 -8.263 0.311 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.452 -7.020 1.315 1.00 0.00 C ATOM 0 H VAL A 56 3.765 -4.549 1.769 1.00 0.00 H new ATOM 0 HA VAL A 56 4.872 -7.049 2.731 1.00 0.00 H new ATOM 0 HB VAL A 56 3.940 -6.176 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.695 -8.624 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.381 -8.164 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.411 -8.973 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.832 -7.422 0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.414 -7.689 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.080 -6.037 1.603 1.00 0.00 H new ATOM 785 N GLU A 57 7.182 -6.821 1.995 1.00 0.00 N ATOM 786 CA GLU A 57 8.537 -6.940 1.502 1.00 0.00 C ATOM 787 C GLU A 57 8.549 -7.797 0.224 1.00 0.00 C ATOM 788 O GLU A 57 8.174 -8.969 0.256 1.00 0.00 O ATOM 789 CB GLU A 57 9.430 -7.537 2.596 1.00 0.00 C ATOM 790 CG GLU A 57 10.886 -7.266 2.246 1.00 0.00 C ATOM 791 CD GLU A 57 11.841 -8.144 3.064 1.00 0.00 C ATOM 792 OE1 GLU A 57 12.015 -9.329 2.697 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.426 -7.650 4.060 1.00 0.00 O ATOM 0 H GLU A 57 7.021 -7.307 2.877 1.00 0.00 H new ATOM 0 HA GLU A 57 8.931 -5.956 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.187 -7.097 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.256 -8.610 2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.044 -7.449 1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.114 -6.215 2.426 1.00 0.00 H new ATOM 894 N GLY A 65 2.526 -9.608 -3.755 1.00 0.00 N ATOM 895 CA GLY A 65 2.564 -8.748 -4.958 1.00 0.00 C ATOM 896 C GLY A 65 2.373 -9.494 -6.289 1.00 0.00 C ATOM 897 O GLY A 65 1.854 -8.918 -7.248 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.788 -7.988 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.520 -8.226 -4.984 1.00 0.00 H new ATOM 901 N ARG A 66 2.712 -10.789 -6.333 1.00 0.00 N ATOM 902 CA ARG A 66 2.420 -11.690 -7.462 1.00 0.00 C ATOM 903 C ARG A 66 0.904 -11.873 -7.649 1.00 0.00 C ATOM 904 O ARG A 66 0.387 -11.743 -8.757 1.00 0.00 O ATOM 905 CB ARG A 66 3.125 -13.040 -7.194 1.00 0.00 C ATOM 906 CG ARG A 66 2.973 -14.041 -8.354 1.00 0.00 C ATOM 907 CD ARG A 66 3.751 -15.325 -8.038 1.00 0.00 C ATOM 908 NE ARG A 66 3.561 -16.348 -9.082 1.00 0.00 N ATOM 909 CZ ARG A 66 2.601 -17.265 -9.134 1.00 0.00 C ATOM 910 NH1 ARG A 66 1.627 -17.319 -8.246 1.00 0.00 N ATOM 911 NH2 ARG A 66 2.606 -18.154 -10.106 1.00 0.00 N ATOM 0 H ARG A 66 3.207 -11.252 -5.571 1.00 0.00 H new ATOM 0 HA ARG A 66 2.796 -11.258 -8.390 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.185 -12.860 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.717 -13.482 -6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.919 -14.273 -8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.343 -13.599 -9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.812 -15.094 -7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.424 -15.721 -7.076 1.00 0.00 H new ATOM 0 HE ARG A 66 4.238 -16.352 -9.845 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.593 -16.641 -7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.908 -18.039 -8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.343 -18.135 -10.811 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.873 -18.862 -10.154 1.00 0.00 H new ATOM 922 N SER A 67 0.175 -12.096 -6.557 1.00 0.00 N ATOM 923 CA SER A 67 -1.284 -12.293 -6.557 1.00 0.00 C ATOM 924 C SER A 67 -2.051 -10.987 -6.820 1.00 0.00 C ATOM 925 O SER A 67 -3.168 -11.010 -7.335 1.00 0.00 O ATOM 926 CB SER A 67 -1.724 -12.896 -5.213 1.00 0.00 C ATOM 927 OG SER A 67 -0.993 -14.082 -4.924 1.00 0.00 O ATOM 0 H SER A 67 0.586 -12.147 -5.625 1.00 0.00 H new ATOM 0 HA SER A 67 -1.522 -12.977 -7.371 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.573 -12.168 -4.416 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.790 -13.120 -5.242 1.00 0.00 H new ATOM 0 HG SER A 67 -1.288 -14.447 -4.064 1.00 0.00 H new ATOM 932 N PHE A 68 -1.432 -9.831 -6.536 1.00 0.00 N ATOM 933 CA PHE A 68 -1.965 -8.498 -6.797 1.00 0.00 C ATOM 934 C PHE A 68 -1.719 -7.992 -8.227 1.00 0.00 C ATOM 935 O PHE A 68 -2.284 -6.966 -8.605 1.00 0.00 O ATOM 936 CB PHE A 68 -1.364 -7.525 -5.772 1.00 0.00 C ATOM 937 CG PHE A 68 -2.230 -7.356 -4.546 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.131 -8.248 -3.471 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.146 -6.294 -4.489 1.00 0.00 C ATOM 940 CE1 PHE A 68 -2.878 -8.038 -2.303 1.00 0.00 C ATOM 941 CE2 PHE A 68 -3.910 -6.088 -3.331 1.00 0.00 C ATOM 942 CZ PHE A 68 -3.769 -6.950 -2.237 1.00 0.00 C ATOM 0 H PHE A 68 -0.510 -9.805 -6.101 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.049 -8.556 -6.697 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.381 -7.885 -5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.217 -6.553 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.475 -9.103 -3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.263 -5.635 -5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.771 -8.706 -1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.607 -5.264 -3.283 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.345 -6.780 -1.340 1.00 0.00 H new ATOM 951 N GLN A 69 -0.861 -8.674 -8.998 1.00 0.00 N ATOM 952 CA GLN A 69 -0.447 -8.287 -10.353 1.00 0.00 C ATOM 953 C GLN A 69 0.218 -6.888 -10.324 1.00 0.00 C ATOM 954 O GLN A 69 -0.142 -5.999 -11.097 1.00 0.00 O ATOM 955 CB GLN A 69 -1.602 -8.372 -11.374 1.00 0.00 C ATOM 956 CG GLN A 69 -2.400 -9.692 -11.373 1.00 0.00 C ATOM 957 CD GLN A 69 -3.835 -9.486 -10.889 1.00 0.00 C ATOM 958 OE1 GLN A 69 -4.735 -9.144 -11.648 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.105 -9.653 -9.611 1.00 0.00 N ATOM 0 H GLN A 69 -0.421 -9.539 -8.685 1.00 0.00 H new ATOM 0 HA GLN A 69 0.294 -9.008 -10.698 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.293 -7.551 -11.182 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.192 -8.217 -12.372 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.412 -10.110 -12.379 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.901 -10.418 -10.732 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.367 -9.937 -8.967 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.052 -9.498 -9.265 1.00 0.00 H new ATOM 966 N VAL A 70 1.142 -6.679 -9.376 1.00 0.00 N ATOM 967 CA VAL A 70 1.798 -5.384 -9.101 1.00 0.00 C ATOM 968 C VAL A 70 2.403 -4.781 -10.377 1.00 0.00 C ATOM 969 O VAL A 70 3.130 -5.446 -11.115 1.00 0.00 O ATOM 970 CB VAL A 70 2.825 -5.533 -7.957 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.868 -4.401 -7.904 1.00 0.00 C ATOM 972 CG2 VAL A 70 2.081 -5.577 -6.618 1.00 0.00 C ATOM 0 H VAL A 70 1.466 -7.424 -8.760 1.00 0.00 H new ATOM 0 HA VAL A 70 1.044 -4.673 -8.762 1.00 0.00 H new ATOM 0 HB VAL A 70 3.370 -6.457 -8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.553 -4.576 -7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.428 -4.378 -8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.362 -3.446 -7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.800 -5.682 -5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.516 -4.654 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.397 -6.426 -6.609 1.00 0.00 H new ATOM 982 N LYS A 71 2.034 -3.521 -10.654 1.00 0.00 N ATOM 983 CA LYS A 71 2.041 -2.972 -12.016 1.00 0.00 C ATOM 984 C LYS A 71 3.404 -2.407 -12.457 1.00 0.00 C ATOM 985 O LYS A 71 3.895 -2.755 -13.529 1.00 0.00 O ATOM 986 CB LYS A 71 0.921 -1.923 -12.097 1.00 0.00 C ATOM 987 CG LYS A 71 0.458 -1.594 -13.533 1.00 0.00 C ATOM 988 CD LYS A 71 -0.076 -2.790 -14.346 1.00 0.00 C ATOM 989 CE LYS A 71 -1.113 -3.622 -13.574 1.00 0.00 C ATOM 990 NZ LYS A 71 -1.659 -4.732 -14.395 1.00 0.00 N ATOM 0 H LYS A 71 1.724 -2.858 -9.943 1.00 0.00 H new ATOM 0 HA LYS A 71 1.859 -3.783 -12.722 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.064 -2.279 -11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.264 -1.005 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.323 -0.835 -13.480 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.295 -1.153 -14.074 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.526 -2.424 -15.269 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.758 -3.431 -14.630 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.653 -4.029 -12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.929 -2.975 -13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.354 -5.267 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.121 -4.343 -15.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.885 -5.364 -14.683 1.00 0.00 H new ATOM 1000 N LEU A 72 4.020 -1.563 -11.615 1.00 0.00 N ATOM 1001 CA LEU A 72 5.434 -1.183 -11.704 1.00 0.00 C ATOM 1002 C LEU A 72 6.195 -1.994 -10.646 1.00 0.00 C ATOM 1003 O LEU A 72 6.288 -3.218 -10.752 1.00 0.00 O ATOM 1004 CB LEU A 72 5.559 0.357 -11.607 1.00 0.00 C ATOM 1005 CG LEU A 72 6.971 0.932 -11.874 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.449 0.645 -13.306 1.00 0.00 C ATOM 1007 CD2 LEU A 72 6.964 2.444 -11.628 1.00 0.00 C ATOM 0 H LEU A 72 3.536 -1.117 -10.836 1.00 0.00 H new ATOM 0 HA LEU A 72 5.891 -1.428 -12.663 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.864 0.805 -12.317 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.242 0.667 -10.611 1.00 0.00 H new ATOM 0 HG LEU A 72 7.663 0.442 -11.190 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.444 1.067 -13.449 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.484 -0.432 -13.469 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.758 1.097 -14.018 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.959 2.848 -11.816 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.247 2.918 -12.298 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.681 2.643 -10.594 1.00 0.00 H new ATOM 1018 N TRP A 73 6.667 -1.321 -9.600 1.00 0.00 N ATOM 1019 CA TRP A 73 7.215 -1.917 -8.386 1.00 0.00 C ATOM 1020 C TRP A 73 6.924 -1.050 -7.147 1.00 0.00 C ATOM 1021 O TRP A 73 6.374 -1.603 -6.194 1.00 0.00 O ATOM 1022 CB TRP A 73 8.702 -2.176 -8.579 1.00 0.00 C ATOM 1023 CG TRP A 73 9.316 -3.052 -7.538 1.00 0.00 C ATOM 1024 CD1 TRP A 73 9.342 -4.404 -7.549 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.984 -2.643 -6.307 1.00 0.00 C ATOM 1026 NE1 TRP A 73 10.003 -4.853 -6.425 1.00 0.00 N ATOM 1027 CE2 TRP A 73 10.445 -3.813 -5.639 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.252 -1.399 -5.706 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 11.182 -3.757 -4.451 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.963 -1.326 -4.498 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.440 -2.497 -3.880 1.00 0.00 C ATOM 0 H TRP A 73 6.678 -0.301 -9.575 1.00 0.00 H new ATOM 0 HA TRP A 73 6.723 -2.872 -8.202 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.855 -2.633 -9.557 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.227 -1.221 -8.588 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.913 -5.032 -8.316 1.00 0.00 H new ATOM 0 HE1 TRP A 73 10.147 -5.838 -6.203 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.907 -0.491 -6.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 11.545 -4.660 -3.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.145 -0.365 -4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 73 12.007 -2.428 -2.963 1.00 0.00 H new ATOM 1041 N PRO A 74 7.193 0.284 -7.133 1.00 0.00 N ATOM 1042 CA PRO A 74 6.613 1.163 -6.126 1.00 0.00 C ATOM 1043 C PRO A 74 5.119 1.307 -6.417 1.00 0.00 C ATOM 1044 O PRO A 74 4.705 2.017 -7.341 1.00 0.00 O ATOM 1045 CB PRO A 74 7.350 2.499 -6.207 1.00 0.00 C ATOM 1046 CG PRO A 74 7.797 2.547 -7.669 1.00 0.00 C ATOM 1047 CD PRO A 74 8.035 1.080 -8.026 1.00 0.00 C ATOM 0 HA PRO A 74 6.718 0.768 -5.116 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.700 3.336 -5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.198 2.536 -5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.034 2.995 -8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.703 3.140 -7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.780 0.890 -9.069 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.086 0.818 -7.902 1.00 0.00 H new ATOM 1052 N THR A 75 4.301 0.563 -5.675 1.00 0.00 N ATOM 1053 CA THR A 75 2.885 0.357 -5.966 1.00 0.00 C ATOM 1054 C THR A 75 2.189 -0.014 -4.673 1.00 0.00 C ATOM 1055 O THR A 75 2.707 -0.789 -3.869 1.00 0.00 O ATOM 1056 CB THR A 75 2.710 -0.760 -7.012 1.00 0.00 C ATOM 1057 OG1 THR A 75 3.203 -0.322 -8.261 1.00 0.00 O ATOM 1058 CG2 THR A 75 1.255 -1.187 -7.232 1.00 0.00 C ATOM 0 H THR A 75 4.613 0.075 -4.835 1.00 0.00 H new ATOM 0 HA THR A 75 2.449 1.268 -6.377 1.00 0.00 H new ATOM 0 HB THR A 75 3.260 -1.615 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.820 -0.873 -8.975 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.217 -1.977 -7.983 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.839 -1.557 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.673 -0.332 -7.575 1.00 0.00 H new ATOM 1066 N PHE A 76 0.994 0.533 -4.501 1.00 0.00 N ATOM 1067 CA PHE A 76 0.155 0.279 -3.344 1.00 0.00 C ATOM 1068 C PHE A 76 -1.322 0.284 -3.746 1.00 0.00 C ATOM 1069 O PHE A 76 -1.805 1.175 -4.445 1.00 0.00 O ATOM 1070 CB PHE A 76 0.477 1.270 -2.211 1.00 0.00 C ATOM 1071 CG PHE A 76 0.918 2.634 -2.661 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.262 2.861 -3.018 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.023 3.665 -2.732 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.651 4.116 -3.512 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.383 4.927 -3.170 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.697 5.140 -3.604 1.00 0.00 C ATOM 0 H PHE A 76 0.576 1.176 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 76 0.370 -0.715 -2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.408 1.380 -1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.260 0.840 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.991 2.071 -2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.051 3.488 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.672 4.291 -3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.322 5.745 -3.174 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.978 6.099 -4.012 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.018 -0.765 -3.308 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.372 -1.138 -3.720 1.00 0.00 C ATOM 1087 C VAL A 77 -4.330 -0.965 -2.551 1.00 0.00 C ATOM 1088 O VAL A 77 -4.133 -1.555 -1.485 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.392 -2.589 -4.268 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -4.787 -2.983 -4.776 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.348 -2.755 -5.388 1.00 0.00 C ATOM 0 H VAL A 77 -1.632 -1.412 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.699 -0.482 -4.527 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.138 -3.256 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.762 -4.006 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.505 -2.915 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.086 -2.309 -5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.375 -3.779 -5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.574 -2.066 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.355 -2.538 -4.995 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.342 -0.112 -2.736 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.314 0.262 -1.709 1.00 0.00 C ATOM 1103 C PHE A 78 -7.435 -0.781 -1.677 1.00 0.00 C ATOM 1104 O PHE A 78 -8.178 -0.946 -2.652 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.859 1.686 -1.946 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.848 2.822 -1.841 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.912 3.014 -2.876 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.796 3.666 -0.708 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.928 4.010 -2.781 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.821 4.683 -0.632 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.896 4.859 -1.671 1.00 0.00 C ATOM 0 H PHE A 78 -5.511 0.349 -3.630 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.824 0.278 -0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.309 1.719 -2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.657 1.871 -1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.952 2.387 -3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.502 3.532 0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.195 4.121 -3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.787 5.330 0.232 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.161 5.648 -1.614 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.562 -1.489 -0.553 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.623 -2.454 -0.287 1.00 0.00 C ATOM 1122 C LEU A 79 -9.638 -1.893 0.723 1.00 0.00 C ATOM 1123 O LEU A 79 -9.300 -1.088 1.592 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.031 -3.783 0.215 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.757 -4.813 -0.887 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.748 -4.350 -1.931 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.285 -6.116 -0.235 1.00 0.00 C ATOM 0 H LEU A 79 -6.905 -1.401 0.222 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.151 -2.644 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.099 -3.575 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.716 -4.220 0.941 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.691 -4.960 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.609 -5.134 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.117 -3.448 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.795 -4.136 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.086 -6.858 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.373 -5.930 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.059 -6.489 0.435 1.00 0.00 H new ATOM 1138 N ARG A 80 -10.877 -2.372 0.623 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.003 -2.079 1.516 1.00 0.00 C ATOM 1140 C ARG A 80 -13.120 -3.096 1.229 1.00 0.00 C ATOM 1141 O ARG A 80 -13.344 -3.442 0.068 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.469 -0.615 1.339 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.244 -0.078 2.549 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.468 1.438 2.424 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.113 1.973 3.638 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.133 3.241 4.043 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -13.547 4.216 3.373 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -14.767 3.562 5.150 1.00 0.00 N ATOM 0 H ARG A 80 -11.140 -3.012 -0.126 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.705 -2.177 2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.599 0.018 1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.099 -0.545 0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.205 -0.587 2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.694 -0.295 3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.514 1.939 2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.090 1.648 1.554 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.596 1.298 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.052 4.012 2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.590 5.173 3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.240 2.841 5.694 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.785 4.532 5.464 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.729 -3.659 2.275 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.590 -4.867 2.205 1.00 0.00 C ATOM 1161 C ASP A 81 -13.804 -6.124 1.734 1.00 0.00 C ATOM 1162 O ASP A 81 -14.380 -7.083 1.221 1.00 0.00 O ATOM 1163 CB ASP A 81 -15.861 -4.579 1.374 1.00 0.00 C ATOM 1164 CG ASP A 81 -16.934 -5.677 1.475 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.407 -5.970 2.598 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.336 -6.213 0.413 1.00 0.00 O ATOM 0 H ASP A 81 -13.642 -3.288 3.221 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.924 -5.111 3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.291 -3.633 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.579 -4.455 0.328 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.462 -6.090 1.850 1.00 0.00 N ATOM 1171 CA GLY A 82 -11.538 -7.127 1.358 1.00 0.00 C ATOM 1172 C GLY A 82 -11.274 -7.079 -0.153 1.00 0.00 C ATOM 1173 O GLY A 82 -10.349 -7.740 -0.642 1.00 0.00 O ATOM 0 H GLY A 82 -11.977 -5.315 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.588 -7.028 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.943 -8.107 1.612 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.051 -6.275 -0.885 1.00 0.00 N ATOM 1178 CA ARG A 83 -11.986 -6.061 -2.329 1.00 0.00 C ATOM 1179 C ARG A 83 -11.132 -4.832 -2.628 1.00 0.00 C ATOM 1180 O ARG A 83 -11.083 -3.873 -1.856 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.419 -5.872 -2.867 1.00 0.00 C ATOM 1182 CG ARG A 83 -14.167 -7.215 -2.901 1.00 0.00 C ATOM 1183 CD ARG A 83 -15.689 -7.045 -2.954 1.00 0.00 C ATOM 1184 NE ARG A 83 -16.349 -8.343 -3.162 1.00 0.00 N ATOM 1185 CZ ARG A 83 -17.077 -9.038 -2.293 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -17.377 -8.609 -1.089 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -17.518 -10.227 -2.639 1.00 0.00 N ATOM 0 H ARG A 83 -12.790 -5.721 -0.453 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.530 -6.922 -2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.959 -5.165 -2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.383 -5.444 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.839 -7.786 -3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.901 -7.796 -2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.043 -6.596 -2.026 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.956 -6.362 -3.760 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.234 -8.761 -4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.047 -7.696 -0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.940 -9.189 -0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.300 -10.603 -3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.078 -10.774 -1.985 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.444 -4.857 -3.759 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.716 -3.690 -4.270 1.00 0.00 C ATOM 1200 C GLU A 84 -10.716 -2.597 -4.681 1.00 0.00 C ATOM 1201 O GLU A 84 -11.592 -2.835 -5.517 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.757 -4.075 -5.414 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.139 -2.867 -6.132 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.156 -3.250 -7.250 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -6.808 -4.443 -7.414 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.695 -2.342 -7.984 1.00 0.00 O ATOM 0 H GLU A 84 -10.370 -5.683 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.086 -3.289 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.957 -4.696 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.297 -4.682 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.938 -2.259 -6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.620 -2.247 -5.401 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.565 -1.410 -4.093 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.332 -0.196 -4.443 1.00 0.00 C ATOM 1213 C VAL A 85 -10.563 0.720 -5.407 1.00 0.00 C ATOM 1214 O VAL A 85 -11.187 1.478 -6.152 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.776 0.596 -3.190 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.880 -0.166 -2.447 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.634 0.908 -2.201 1.00 0.00 C ATOM 0 H VAL A 85 -9.893 -1.254 -3.342 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.228 -0.547 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.140 1.553 -3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.184 0.401 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.737 -0.300 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.504 -1.141 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.030 1.465 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.192 -0.024 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.872 1.504 -2.702 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.227 0.628 -5.415 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.307 1.425 -6.225 1.00 0.00 C ATOM 1229 C ALA A 86 -6.866 0.921 -6.080 1.00 0.00 C ATOM 1230 O ALA A 86 -6.585 0.064 -5.245 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.380 2.886 -5.771 1.00 0.00 C ATOM 0 H ALA A 86 -8.736 -0.042 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.598 1.336 -7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.697 3.488 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.397 3.256 -5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.098 2.955 -4.720 1.00 0.00 H new ATOM 1237 N ARG A 87 -5.943 1.562 -6.792 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.509 1.495 -6.522 1.00 0.00 C ATOM 1239 C ARG A 87 -3.778 2.732 -7.052 1.00 0.00 C ATOM 1240 O ARG A 87 -4.254 3.385 -7.981 1.00 0.00 O ATOM 1241 CB ARG A 87 -3.917 0.196 -7.067 1.00 0.00 C ATOM 1242 CG ARG A 87 -3.998 0.018 -8.584 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.212 -1.232 -8.971 1.00 0.00 C ATOM 1244 NE ARG A 87 -3.937 -2.482 -8.663 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.448 -3.714 -8.713 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.209 -3.978 -9.084 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.202 -4.737 -8.387 1.00 0.00 N ATOM 0 H ARG A 87 -6.175 2.155 -7.589 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.367 1.491 -5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.870 0.141 -6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.428 -0.642 -6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.037 -0.076 -8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.590 0.893 -9.090 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.989 -1.200 -10.037 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.257 -1.232 -8.446 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.913 -2.388 -8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.583 -3.217 -9.348 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.878 -4.943 -9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.167 -4.586 -8.094 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.823 -5.683 -8.427 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.623 3.025 -6.475 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.715 4.091 -6.932 1.00 0.00 C ATOM 1260 C VAL A 88 -0.376 3.445 -7.311 1.00 0.00 C ATOM 1261 O VAL A 88 0.157 2.628 -6.561 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.538 5.166 -5.839 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.426 6.185 -6.163 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.822 5.962 -5.528 1.00 0.00 C ATOM 0 H VAL A 88 -2.274 2.524 -5.658 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.134 4.597 -7.802 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.261 4.579 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.353 6.913 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.525 5.664 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.664 6.699 -7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.615 6.697 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.161 6.473 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.599 5.279 -5.184 1.00 0.00 H new ATOM 1274 N VAL A 89 0.138 3.814 -8.488 1.00 0.00 N ATOM 1275 CA VAL A 89 1.389 3.308 -9.076 1.00 0.00 C ATOM 1276 C VAL A 89 2.319 4.499 -9.329 1.00 0.00 C ATOM 1277 O VAL A 89 1.909 5.459 -9.980 1.00 0.00 O ATOM 1278 CB VAL A 89 1.106 2.552 -10.409 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.396 2.051 -11.074 1.00 0.00 C ATOM 1280 CG2 VAL A 89 0.156 1.359 -10.197 1.00 0.00 C ATOM 0 H VAL A 89 -0.323 4.502 -9.084 1.00 0.00 H new ATOM 0 HA VAL A 89 1.859 2.604 -8.389 1.00 0.00 H new ATOM 0 HB VAL A 89 0.629 3.277 -11.068 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.150 1.530 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.044 2.899 -11.296 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.911 1.367 -10.399 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.017 0.858 -11.149 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.604 0.657 -9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.793 1.716 -9.798 1.00 0.00 H new ATOM 1290 N ARG A 90 3.549 4.445 -8.804 1.00 0.00 N ATOM 1291 CA ARG A 90 4.593 5.476 -8.950 1.00 0.00 C ATOM 1292 C ARG A 90 4.117 6.882 -8.467 1.00 0.00 C ATOM 1293 O ARG A 90 3.746 7.707 -9.309 1.00 0.00 O ATOM 1294 CB ARG A 90 5.114 5.489 -10.402 1.00 0.00 C ATOM 1295 CG ARG A 90 6.497 6.162 -10.486 1.00 0.00 C ATOM 1296 CD ARG A 90 7.018 6.213 -11.925 1.00 0.00 C ATOM 1297 NE ARG A 90 8.372 6.801 -11.979 1.00 0.00 N ATOM 1298 CZ ARG A 90 9.147 6.904 -13.055 1.00 0.00 C ATOM 1299 NH1 ARG A 90 8.756 6.486 -14.242 1.00 0.00 N ATOM 1300 NH2 ARG A 90 10.348 7.431 -12.942 1.00 0.00 N ATOM 0 H ARG A 90 3.860 3.652 -8.243 1.00 0.00 H new ATOM 0 HA ARG A 90 5.424 5.218 -8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.179 4.468 -10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.408 6.020 -11.041 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.434 7.174 -10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.205 5.617 -9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.038 5.207 -12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.338 6.801 -12.541 1.00 0.00 H new ATOM 0 HE ARG A 90 8.750 7.164 -11.104 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.833 6.068 -14.357 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.377 6.581 -15.046 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.678 7.757 -12.034 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.948 7.513 -13.763 1.00 0.00 H new ATOM 1311 N PRO A 91 4.099 7.175 -7.147 1.00 0.00 N ATOM 1312 CA PRO A 91 3.615 8.452 -6.613 1.00 0.00 C ATOM 1313 C PRO A 91 4.481 9.624 -7.110 1.00 0.00 C ATOM 1314 O PRO A 91 5.702 9.602 -6.944 1.00 0.00 O ATOM 1315 CB PRO A 91 3.663 8.319 -5.092 1.00 0.00 C ATOM 1316 CG PRO A 91 4.701 7.222 -4.841 1.00 0.00 C ATOM 1317 CD PRO A 91 4.555 6.312 -6.061 1.00 0.00 C ATOM 0 HA PRO A 91 2.602 8.668 -6.952 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.954 9.257 -4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.689 8.046 -4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.708 7.632 -4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.503 6.685 -3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.504 5.837 -6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.839 5.513 -5.869 1.00 0.00 H new ATOM 1322 N GLY A 92 3.850 10.638 -7.713 1.00 0.00 N ATOM 1323 CA GLY A 92 4.542 11.808 -8.271 1.00 0.00 C ATOM 1324 C GLY A 92 4.803 12.918 -7.245 1.00 0.00 C ATOM 1325 O GLY A 92 5.822 13.599 -7.316 1.00 0.00 O ATOM 0 H GLY A 92 2.837 10.671 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.493 11.488 -8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.948 12.214 -9.089 1.00 0.00 H new ATOM 1329 N SER A 93 3.900 13.084 -6.278 1.00 0.00 N ATOM 1330 CA SER A 93 3.950 14.052 -5.170 1.00 0.00 C ATOM 1331 C SER A 93 2.781 13.804 -4.209 1.00 0.00 C ATOM 1332 O SER A 93 1.796 13.144 -4.574 1.00 0.00 O ATOM 1333 CB SER A 93 3.893 15.500 -5.687 1.00 0.00 C ATOM 1334 OG SER A 93 4.196 16.409 -4.635 1.00 0.00 O ATOM 0 H SER A 93 3.057 12.511 -6.241 1.00 0.00 H new ATOM 0 HA SER A 93 4.896 13.914 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.601 15.630 -6.505 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.902 15.712 -6.087 1.00 0.00 H new ATOM 0 HG SER A 93 4.159 17.327 -4.975 1.00 0.00 H new ATOM 1339 N ALA A 94 2.846 14.349 -2.991 1.00 0.00 N ATOM 1340 CA ALA A 94 1.797 14.215 -1.978 1.00 0.00 C ATOM 1341 C ALA A 94 0.429 14.672 -2.495 1.00 0.00 C ATOM 1342 O ALA A 94 -0.570 14.032 -2.205 1.00 0.00 O ATOM 1343 CB ALA A 94 2.236 14.989 -0.729 1.00 0.00 C ATOM 0 H ALA A 94 3.642 14.904 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 94 1.668 13.163 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.469 14.903 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.173 14.575 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.379 16.039 -0.983 1.00 0.00 H new ATOM 1349 N SER A 95 0.376 15.672 -3.370 1.00 0.00 N ATOM 1350 CA SER A 95 -0.861 16.090 -4.046 1.00 0.00 C ATOM 1351 C SER A 95 -1.557 14.960 -4.833 1.00 0.00 C ATOM 1352 O SER A 95 -2.783 14.910 -4.869 1.00 0.00 O ATOM 1353 CB SER A 95 -0.557 17.269 -4.982 1.00 0.00 C ATOM 1354 OG SER A 95 0.488 16.933 -5.888 1.00 0.00 O ATOM 0 H SER A 95 1.192 16.223 -3.636 1.00 0.00 H new ATOM 0 HA SER A 95 -1.559 16.386 -3.263 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.455 17.540 -5.538 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.270 18.142 -4.395 1.00 0.00 H new ATOM 0 HG SER A 95 0.667 17.695 -6.478 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.802 14.012 -5.402 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.309 12.853 -6.153 1.00 0.00 C ATOM 1361 C VAL A 96 -1.688 11.711 -5.203 1.00 0.00 C ATOM 1362 O VAL A 96 -2.714 11.056 -5.387 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.262 12.358 -7.187 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.804 11.189 -8.023 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.187 13.485 -8.141 1.00 0.00 C ATOM 0 H VAL A 96 0.217 14.030 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.202 13.172 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 96 0.598 12.022 -6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.044 10.869 -8.736 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.058 10.358 -7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.695 11.510 -8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.919 13.094 -8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.676 13.865 -8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.636 14.293 -7.564 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.880 11.485 -4.161 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.110 10.421 -3.189 1.00 0.00 C ATOM 1377 C LEU A 97 -2.303 10.748 -2.274 1.00 0.00 C ATOM 1378 O LEU A 97 -3.219 9.945 -2.168 1.00 0.00 O ATOM 1379 CB LEU A 97 0.192 10.143 -2.408 1.00 0.00 C ATOM 1380 CG LEU A 97 0.570 8.645 -2.450 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.913 8.404 -1.780 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.541 7.831 -1.805 1.00 0.00 C ATOM 0 H LEU A 97 -0.046 12.040 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.382 9.504 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.004 10.736 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.071 10.460 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 97 0.676 8.325 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.156 7.342 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.685 8.974 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.863 8.723 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.280 6.773 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.669 8.147 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.471 7.989 -2.351 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.335 11.954 -1.694 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.456 12.476 -0.897 1.00 0.00 C ATOM 1395 C GLU A 98 -4.784 12.480 -1.674 1.00 0.00 C ATOM 1396 O GLU A 98 -5.812 12.113 -1.106 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.166 13.905 -0.411 1.00 0.00 C ATOM 1398 CG GLU A 98 -2.030 14.001 0.621 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.883 15.441 1.136 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -1.113 16.230 0.538 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.548 15.800 2.140 1.00 0.00 O ATOM 0 H GLU A 98 -1.561 12.614 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.558 11.803 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.914 14.525 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.075 14.320 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.233 13.330 1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.093 13.674 0.169 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.766 12.846 -2.967 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.939 12.832 -3.859 1.00 0.00 C ATOM 1408 C GLU A 99 -6.571 11.444 -3.981 1.00 0.00 C ATOM 1409 O GLU A 99 -7.791 11.308 -4.070 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.521 13.345 -5.249 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.575 13.137 -6.351 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.303 14.014 -7.579 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.767 15.180 -7.613 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.654 13.537 -8.538 1.00 0.00 O ATOM 0 H GLU A 99 -3.917 13.167 -3.432 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.695 13.484 -3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.295 14.409 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.600 12.843 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.585 12.089 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.564 13.365 -5.954 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.758 10.391 -3.976 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.269 9.030 -3.909 1.00 0.00 C ATOM 1421 C ALA A 100 -6.740 8.677 -2.488 1.00 0.00 C ATOM 1422 O ALA A 100 -7.846 8.170 -2.326 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.197 8.083 -4.442 1.00 0.00 C ATOM 0 H ALA A 100 -4.741 10.457 -4.018 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.155 8.929 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.564 7.057 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.964 8.342 -5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.297 8.173 -3.833 1.00 0.00 H new ATOM 1429 N PHE A 101 -5.971 9.002 -1.447 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.330 8.666 -0.067 1.00 0.00 C ATOM 1431 C PHE A 101 -7.703 9.227 0.321 1.00 0.00 C ATOM 1432 O PHE A 101 -8.565 8.468 0.767 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.240 9.165 0.881 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.232 8.099 1.271 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.277 7.618 0.349 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.251 7.596 2.585 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.343 6.662 0.762 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.315 6.630 2.983 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.349 6.179 2.070 1.00 0.00 C ATOM 0 H PHE A 101 -5.087 9.503 -1.535 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.404 7.581 0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.713 9.995 0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.708 9.557 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.268 7.985 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.988 7.954 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.609 6.294 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.338 6.235 3.988 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.609 5.457 2.381 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.945 10.517 0.073 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.251 11.142 0.329 1.00 0.00 C ATOM 1450 C GLU A 102 -10.390 10.504 -0.476 1.00 0.00 C ATOM 1451 O GLU A 102 -11.509 10.385 0.026 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.222 12.655 0.097 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.760 13.114 -1.291 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.840 13.891 -2.062 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.019 15.100 -1.786 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.496 13.304 -2.953 1.00 0.00 O ATOM 0 H GLU A 102 -7.248 11.156 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.455 10.959 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.223 13.049 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.567 13.104 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.876 13.743 -1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.462 12.243 -1.874 1.00 0.00 H new ATOM 1461 N SER A 103 -10.110 10.032 -1.686 1.00 0.00 N ATOM 1462 CA SER A 103 -11.104 9.358 -2.518 1.00 0.00 C ATOM 1463 C SER A 103 -11.505 7.974 -1.969 1.00 0.00 C ATOM 1464 O SER A 103 -12.667 7.566 -2.085 1.00 0.00 O ATOM 1465 CB SER A 103 -10.578 9.236 -3.958 1.00 0.00 C ATOM 1466 OG SER A 103 -11.589 8.783 -4.852 1.00 0.00 O ATOM 0 H SER A 103 -9.189 10.105 -2.119 1.00 0.00 H new ATOM 0 HA SER A 103 -12.007 9.969 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.204 10.204 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.736 8.544 -3.980 1.00 0.00 H new ATOM 0 HG SER A 103 -11.220 8.719 -5.758 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.566 7.258 -1.326 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.800 5.897 -0.826 1.00 0.00 C ATOM 1473 C LEU A 104 -11.193 5.862 0.656 1.00 0.00 C ATOM 1474 O LEU A 104 -11.897 4.938 1.074 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.577 4.995 -1.114 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.406 4.532 -2.581 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.739 4.236 -3.294 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.607 5.530 -3.423 1.00 0.00 C ATOM 0 H LEU A 104 -9.626 7.608 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.658 5.501 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.676 5.532 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.645 4.111 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.848 3.599 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.541 3.917 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.268 3.445 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.353 5.137 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.517 5.156 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.121 6.491 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.613 5.655 -2.993 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.803 6.870 1.432 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.237 7.053 2.823 1.00 0.00 C ATOM 1491 C VAL A 105 -12.704 7.529 2.905 1.00 0.00 C ATOM 1492 O VAL A 105 -13.383 7.247 3.894 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.277 8.020 3.568 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.705 9.490 3.483 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.100 7.625 5.034 1.00 0.00 C ATOM 0 H VAL A 105 -10.165 7.598 1.110 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.194 6.084 3.321 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.323 7.925 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.990 10.109 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.735 9.800 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.694 9.607 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.421 8.326 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.067 7.648 5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.685 6.619 5.092 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.188 8.226 1.862 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.552 8.767 1.754 1.00 0.00 C ATOM 1507 C GLY A 106 -14.683 10.250 2.124 1.00 0.00 C ATOM 1508 O GLY A 106 -15.800 10.743 2.257 1.00 0.00 O ATOM 0 H GLY A 106 -12.618 8.435 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.903 8.629 0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.211 8.186 2.399 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.564 10.963 2.295 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.535 12.407 2.573 1.00 0.00 C ATOM 1514 C GLU A 107 -13.612 13.262 1.297 1.00 0.00 C ATOM 1515 O GLU A 107 -13.985 14.437 1.365 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.262 12.752 3.362 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.368 12.424 4.856 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.336 13.366 5.597 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -12.991 14.549 5.823 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.446 12.930 5.974 1.00 0.00 O ATOM 0 H GLU A 107 -12.634 10.546 2.243 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.421 12.642 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.420 12.207 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.046 13.814 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.704 11.394 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.380 12.492 5.311 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.314 12.687 0.124 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.356 13.335 -1.194 1.00 0.00 C ATOM 1527 C GLY A 108 -14.770 13.578 -1.732 1.00 0.00 C ATOM 1528 O GLY A 108 -15.024 13.362 -2.917 1.00 0.00 O ATOM 0 H GLY A 108 -13.023 11.711 0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.834 14.290 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.810 12.718 -1.907 1.00 0.00 H new