USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 452 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.675 X(o=-0.67,f=-0.26) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 21 SER OG : rot 39:sc= 0.0395 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 155:sc= -0.0135 (180deg=-0.23) USER MOD Single : A 37 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -165:sc= 1.93 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00793 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -66:sc= 0.494 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLY A 1 2.260 -1.424 -1.773 1.00 0.00 C ATOM 4 O GLY A 1 3.340 -1.999 -1.648 1.00 0.00 O ATOM 0 H1 GLY A 1 1.212 0.977 0.337 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.388 -0.422 -0.158 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.839 -0.555 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.549 0.601 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.047 0.464 -1.088 1.00 0.00 H new ATOM 8 N SER A 2 1.191 -1.952 -2.351 1.00 0.00 N ATOM 9 CA SER A 2 1.224 -3.298 -2.898 1.00 0.00 C ATOM 10 C SER A 2 -0.067 -3.581 -3.668 1.00 0.00 C ATOM 11 O SER A 2 -1.052 -2.859 -3.522 1.00 0.00 O ATOM 12 CB SER A 2 1.422 -4.337 -1.792 1.00 0.00 C ATOM 13 OG SER A 2 2.447 -5.272 -2.115 1.00 0.00 O ATOM 0 H SER A 2 0.297 -1.472 -2.452 1.00 0.00 H new ATOM 0 HA SER A 2 2.070 -3.369 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.674 -3.831 -0.860 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.486 -4.869 -1.623 1.00 0.00 H new ATOM 0 HG SER A 2 2.544 -5.917 -1.384 1.00 0.00 H new ATOM 19 N SER A 3 -0.020 -4.634 -4.471 1.00 0.00 N ATOM 20 CA SER A 3 -1.174 -5.022 -5.264 1.00 0.00 C ATOM 21 C SER A 3 -1.396 -6.532 -5.163 1.00 0.00 C ATOM 22 O SER A 3 -0.667 -7.312 -5.773 1.00 0.00 O ATOM 23 CB SER A 3 -1.001 -4.608 -6.727 1.00 0.00 C ATOM 24 OG SER A 3 -1.040 -3.193 -6.890 1.00 0.00 O ATOM 0 H SER A 3 0.799 -5.230 -4.589 1.00 0.00 H new ATOM 0 HA SER A 3 -2.049 -4.506 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.051 -4.990 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.788 -5.064 -7.328 1.00 0.00 H new ATOM 0 HG SER A 3 -0.924 -2.970 -7.837 1.00 0.00 H new ATOM 30 N GLY A 4 -2.405 -6.899 -4.386 1.00 0.00 N ATOM 31 CA GLY A 4 -2.731 -8.302 -4.197 1.00 0.00 C ATOM 32 C GLY A 4 -1.615 -9.028 -3.442 1.00 0.00 C ATOM 33 O GLY A 4 -0.631 -9.455 -4.044 1.00 0.00 O ATOM 0 H GLY A 4 -3.007 -6.249 -3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.666 -8.390 -3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.888 -8.776 -5.166 1.00 0.00 H new ATOM 37 N SER A 5 -1.806 -9.144 -2.137 1.00 0.00 N ATOM 38 CA SER A 5 -0.828 -9.811 -1.294 1.00 0.00 C ATOM 39 C SER A 5 -1.513 -10.882 -0.443 1.00 0.00 C ATOM 40 O SER A 5 -1.839 -10.642 0.718 1.00 0.00 O ATOM 41 CB SER A 5 -0.098 -8.808 -0.398 1.00 0.00 C ATOM 42 OG SER A 5 1.166 -8.431 -0.938 1.00 0.00 O ATOM 0 H SER A 5 -2.623 -8.788 -1.642 1.00 0.00 H new ATOM 0 HA SER A 5 -0.089 -10.287 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.717 -7.920 -0.269 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.045 -9.243 0.591 1.00 0.00 H new ATOM 0 HG SER A 5 1.600 -7.789 -0.338 1.00 0.00 H new ATOM 48 N SER A 6 -1.710 -12.041 -1.054 1.00 0.00 N ATOM 49 CA SER A 6 -2.351 -13.149 -0.367 1.00 0.00 C ATOM 50 C SER A 6 -1.850 -13.230 1.077 1.00 0.00 C ATOM 51 O SER A 6 -0.737 -12.800 1.376 1.00 0.00 O ATOM 52 CB SER A 6 -2.092 -14.471 -1.093 1.00 0.00 C ATOM 53 OG SER A 6 -0.704 -14.687 -1.331 1.00 0.00 O ATOM 0 H SER A 6 -1.437 -12.237 -2.017 1.00 0.00 H new ATOM 0 HA SER A 6 -3.427 -12.972 -0.363 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.490 -15.294 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.627 -14.474 -2.043 1.00 0.00 H new ATOM 0 HG SER A 6 -0.581 -15.542 -1.794 1.00 0.00 H new ATOM 59 N GLY A 7 -2.696 -13.784 1.933 1.00 0.00 N ATOM 60 CA GLY A 7 -2.352 -13.927 3.338 1.00 0.00 C ATOM 61 C GLY A 7 -2.678 -15.334 3.841 1.00 0.00 C ATOM 62 O GLY A 7 -3.833 -15.754 3.818 1.00 0.00 O ATOM 0 H GLY A 7 -3.618 -14.139 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.290 -13.723 3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.899 -13.191 3.927 1.00 0.00 H new ATOM 66 N ARG A 8 -1.637 -16.024 4.285 1.00 0.00 N ATOM 67 CA ARG A 8 -1.798 -17.376 4.793 1.00 0.00 C ATOM 68 C ARG A 8 -1.083 -17.526 6.138 1.00 0.00 C ATOM 69 O ARG A 8 -1.714 -17.829 7.150 1.00 0.00 O ATOM 70 CB ARG A 8 -1.238 -18.405 3.809 1.00 0.00 C ATOM 71 CG ARG A 8 -2.213 -18.646 2.655 1.00 0.00 C ATOM 72 CD ARG A 8 -2.123 -20.089 2.154 1.00 0.00 C ATOM 73 NE ARG A 8 -2.998 -20.963 2.967 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.334 -20.869 2.997 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.957 -19.941 2.259 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.047 -21.704 3.765 1.00 0.00 N ATOM 0 H ARG A 8 -0.680 -15.672 4.303 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.865 -17.557 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.283 -18.056 3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.045 -19.343 4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.230 -18.434 2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.992 -17.959 1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.419 -20.138 1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.092 -20.439 2.211 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.556 -21.682 3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.414 -19.306 1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.974 -19.870 2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.573 -22.411 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.064 -21.633 3.788 1.00 0.00 H new ATOM 90 N ASN A 9 0.223 -17.306 6.106 1.00 0.00 N ATOM 91 CA ASN A 9 1.030 -17.413 7.309 1.00 0.00 C ATOM 92 C ASN A 9 1.387 -16.010 7.805 1.00 0.00 C ATOM 93 O ASN A 9 1.125 -15.670 8.958 1.00 0.00 O ATOM 94 CB ASN A 9 2.335 -18.162 7.033 1.00 0.00 C ATOM 95 CG ASN A 9 3.255 -18.131 8.255 1.00 0.00 C ATOM 96 OD1 ASN A 9 4.302 -17.505 8.261 1.00 0.00 O ATOM 97 ND2 ASN A 9 2.807 -18.840 9.287 1.00 0.00 N ATOM 0 H ASN A 9 0.743 -17.054 5.265 1.00 0.00 H new ATOM 0 HA ASN A 9 0.452 -17.959 8.055 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.115 -19.195 6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.843 -17.712 6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.349 -18.883 10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.921 -19.341 9.215 1.00 0.00 H new ATOM 104 N ARG A 10 1.979 -15.233 6.909 1.00 0.00 N ATOM 105 CA ARG A 10 2.374 -13.875 7.241 1.00 0.00 C ATOM 106 C ARG A 10 1.146 -12.964 7.298 1.00 0.00 C ATOM 107 O ARG A 10 0.240 -13.085 6.474 1.00 0.00 O ATOM 108 CB ARG A 10 3.364 -13.323 6.214 1.00 0.00 C ATOM 109 CG ARG A 10 2.710 -13.193 4.837 1.00 0.00 C ATOM 110 CD ARG A 10 3.751 -13.312 3.722 1.00 0.00 C ATOM 111 NE ARG A 10 3.106 -13.114 2.404 1.00 0.00 N ATOM 112 CZ ARG A 10 3.768 -13.097 1.239 1.00 0.00 C ATOM 113 NH1 ARG A 10 5.097 -13.265 1.221 1.00 0.00 N ATOM 114 NH2 ARG A 10 3.101 -12.912 0.092 1.00 0.00 N ATOM 0 H ARG A 10 2.194 -15.518 5.954 1.00 0.00 H new ATOM 0 HA ARG A 10 2.858 -13.899 8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.728 -12.349 6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.230 -13.981 6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.952 -13.967 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.200 -12.233 4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.537 -12.571 3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.226 -14.292 3.760 1.00 0.00 H new ATOM 0 HE ARG A 10 2.095 -12.982 2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.605 -13.406 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.601 -13.252 0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.089 -12.784 0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.605 -12.899 -0.795 1.00 0.00 H new ATOM 128 N GLN A 11 1.155 -12.071 8.277 1.00 0.00 N ATOM 129 CA GLN A 11 0.054 -11.140 8.451 1.00 0.00 C ATOM 130 C GLN A 11 0.585 -9.716 8.623 1.00 0.00 C ATOM 131 O GLN A 11 0.237 -8.822 7.852 1.00 0.00 O ATOM 132 CB GLN A 11 -0.824 -11.545 9.637 1.00 0.00 C ATOM 133 CG GLN A 11 -2.302 -11.281 9.341 1.00 0.00 C ATOM 134 CD GLN A 11 -3.120 -12.570 9.441 1.00 0.00 C ATOM 135 OE1 GLN A 11 -3.924 -12.758 10.338 1.00 0.00 O ATOM 136 NE2 GLN A 11 -2.870 -13.446 8.471 1.00 0.00 N ATOM 0 H GLN A 11 1.908 -11.973 8.958 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.566 -11.170 7.555 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.677 -12.602 9.858 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.522 -10.988 10.524 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.691 -10.544 10.043 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.406 -10.856 8.343 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.184 -13.226 7.749 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.365 -14.338 8.449 1.00 0.00 H new ATOM 145 N GLN A 12 1.419 -9.548 9.638 1.00 0.00 N ATOM 146 CA GLN A 12 2.002 -8.247 9.921 1.00 0.00 C ATOM 147 C GLN A 12 3.503 -8.263 9.626 1.00 0.00 C ATOM 148 O GLN A 12 4.101 -9.328 9.488 1.00 0.00 O ATOM 149 CB GLN A 12 1.732 -7.829 11.368 1.00 0.00 C ATOM 150 CG GLN A 12 1.369 -6.345 11.451 1.00 0.00 C ATOM 151 CD GLN A 12 -0.018 -6.086 10.861 1.00 0.00 C ATOM 152 OE1 GLN A 12 -1.039 -6.279 11.500 1.00 0.00 O ATOM 153 NE2 GLN A 12 0.001 -5.639 9.608 1.00 0.00 N ATOM 0 H GLN A 12 1.705 -10.291 10.275 1.00 0.00 H new ATOM 0 HA GLN A 12 1.531 -7.510 9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.920 -8.429 11.778 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.614 -8.026 11.978 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.392 -6.019 12.491 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.112 -5.755 10.915 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.891 -5.499 9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.875 -5.436 9.125 1.00 0.00 H new ATOM 162 N ARG A 13 4.069 -7.068 9.537 1.00 0.00 N ATOM 163 CA ARG A 13 5.488 -6.930 9.260 1.00 0.00 C ATOM 164 C ARG A 13 6.310 -7.362 10.476 1.00 0.00 C ATOM 165 O ARG A 13 5.869 -7.211 11.614 1.00 0.00 O ATOM 166 CB ARG A 13 5.842 -5.486 8.901 1.00 0.00 C ATOM 167 CG ARG A 13 5.713 -5.248 7.395 1.00 0.00 C ATOM 168 CD ARG A 13 6.326 -3.903 6.998 1.00 0.00 C ATOM 169 NE ARG A 13 5.257 -2.896 6.812 1.00 0.00 N ATOM 170 CZ ARG A 13 5.454 -1.682 6.279 1.00 0.00 C ATOM 171 NH1 ARG A 13 6.679 -1.318 5.876 1.00 0.00 N ATOM 172 NH2 ARG A 13 4.425 -0.833 6.148 1.00 0.00 N ATOM 0 H ARG A 13 3.570 -6.186 9.652 1.00 0.00 H new ATOM 0 HA ARG A 13 5.724 -7.571 8.411 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.185 -4.802 9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.861 -5.267 9.221 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.209 -6.052 6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.662 -5.271 7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.022 -3.569 7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.899 -4.012 6.077 1.00 0.00 H new ATOM 0 HE ARG A 13 4.312 -3.141 7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.462 -1.965 5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.829 -0.394 5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.492 -1.111 6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.575 0.091 5.742 1.00 0.00 H new ATOM 186 N PRO A 14 7.523 -7.905 10.187 1.00 0.00 N ATOM 187 CA PRO A 14 8.411 -8.359 11.243 1.00 0.00 C ATOM 188 C PRO A 14 9.072 -7.175 11.952 1.00 0.00 C ATOM 189 O PRO A 14 10.284 -6.990 11.860 1.00 0.00 O ATOM 190 CB PRO A 14 9.412 -9.271 10.551 1.00 0.00 C ATOM 191 CG PRO A 14 9.335 -8.928 9.072 1.00 0.00 C ATOM 192 CD PRO A 14 8.080 -8.099 8.851 1.00 0.00 C ATOM 0 HA PRO A 14 7.884 -8.894 12.033 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.419 -9.111 10.937 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.168 -10.320 10.722 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.220 -8.371 8.763 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.303 -9.836 8.470 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.314 -7.146 8.377 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.375 -8.614 8.199 1.00 0.00 H new ATOM 200 N GLY A 15 8.245 -6.404 12.643 1.00 0.00 N ATOM 201 CA GLY A 15 8.733 -5.243 13.367 1.00 0.00 C ATOM 202 C GLY A 15 8.468 -5.381 14.868 1.00 0.00 C ATOM 203 O GLY A 15 7.331 -5.599 15.283 1.00 0.00 O ATOM 0 H GLY A 15 7.240 -6.561 12.717 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.802 -5.124 13.192 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.246 -4.344 12.989 1.00 0.00 H new ATOM 207 N THR A 16 9.536 -5.248 15.640 1.00 0.00 N ATOM 208 CA THR A 16 9.433 -5.355 17.085 1.00 0.00 C ATOM 209 C THR A 16 10.417 -4.399 17.762 1.00 0.00 C ATOM 210 O THR A 16 11.544 -4.231 17.299 1.00 0.00 O ATOM 211 CB THR A 16 9.650 -6.821 17.467 1.00 0.00 C ATOM 212 OG1 THR A 16 9.157 -6.908 18.802 1.00 0.00 O ATOM 213 CG2 THR A 16 11.132 -7.180 17.593 1.00 0.00 C ATOM 0 H THR A 16 10.478 -5.067 15.292 1.00 0.00 H new ATOM 0 HA THR A 16 8.445 -5.056 17.434 1.00 0.00 H new ATOM 0 HB THR A 16 9.183 -7.464 16.721 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.257 -7.827 19.129 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.230 -8.231 17.866 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.631 -7.004 16.640 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.592 -6.561 18.363 1.00 0.00 H new ATOM 221 N ILE A 17 9.954 -3.796 18.848 1.00 0.00 N ATOM 222 CA ILE A 17 10.779 -2.861 19.594 1.00 0.00 C ATOM 223 C ILE A 17 12.070 -3.559 20.027 1.00 0.00 C ATOM 224 O ILE A 17 12.032 -4.666 20.561 1.00 0.00 O ATOM 225 CB ILE A 17 9.988 -2.257 20.755 1.00 0.00 C ATOM 226 CG1 ILE A 17 10.668 -0.991 21.282 1.00 0.00 C ATOM 227 CG2 ILE A 17 9.762 -3.289 21.861 1.00 0.00 C ATOM 228 CD1 ILE A 17 10.331 0.218 20.407 1.00 0.00 C ATOM 0 H ILE A 17 9.018 -3.937 19.229 1.00 0.00 H new ATOM 0 HA ILE A 17 11.067 -2.020 18.963 1.00 0.00 H new ATOM 0 HB ILE A 17 9.006 -1.964 20.383 1.00 0.00 H new ATOM 0 HG12 ILE A 17 10.349 -0.803 22.307 1.00 0.00 H new ATOM 0 HG13 ILE A 17 11.748 -1.137 21.306 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.197 -2.833 22.674 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.203 -4.135 21.461 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.724 -3.636 22.237 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.827 1.104 20.804 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.673 0.036 19.388 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.253 0.376 20.405 1.00 0.00 H new ATOM 240 N LYS A 18 13.182 -2.883 19.780 1.00 0.00 N ATOM 241 CA LYS A 18 14.482 -3.424 20.137 1.00 0.00 C ATOM 242 C LYS A 18 14.647 -4.806 19.501 1.00 0.00 C ATOM 243 O LYS A 18 14.465 -5.825 20.165 1.00 0.00 O ATOM 244 CB LYS A 18 14.664 -3.421 21.656 1.00 0.00 C ATOM 245 CG LYS A 18 15.336 -2.129 22.126 1.00 0.00 C ATOM 246 CD LYS A 18 14.354 -1.254 22.908 1.00 0.00 C ATOM 247 CE LYS A 18 14.800 -1.096 24.363 1.00 0.00 C ATOM 248 NZ LYS A 18 15.555 0.165 24.540 1.00 0.00 N ATOM 0 H LYS A 18 13.209 -1.965 19.337 1.00 0.00 H new ATOM 0 HA LYS A 18 15.279 -2.794 19.742 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.694 -3.528 22.142 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.267 -4.278 21.955 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.194 -2.369 22.753 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.714 -1.578 21.265 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.281 -0.273 22.438 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.359 -1.698 22.875 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.929 -1.101 25.019 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.422 -1.943 24.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.850 0.256 25.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.396 0.155 23.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.950 0.971 24.283 1.00 0.00 H new ATOM 262 N HIS A 19 14.991 -4.795 18.221 1.00 0.00 N ATOM 263 CA HIS A 19 15.182 -6.035 17.488 1.00 0.00 C ATOM 264 C HIS A 19 16.227 -6.896 18.200 1.00 0.00 C ATOM 265 O HIS A 19 15.930 -8.008 18.633 1.00 0.00 O ATOM 266 CB HIS A 19 15.542 -5.752 16.028 1.00 0.00 C ATOM 267 CG HIS A 19 14.447 -5.064 15.248 1.00 0.00 C ATOM 268 ND1 HIS A 19 13.818 -5.650 14.163 1.00 0.00 N ATOM 269 CD2 HIS A 19 13.876 -3.836 15.407 1.00 0.00 C ATOM 270 CE1 HIS A 19 12.912 -4.803 13.698 1.00 0.00 C ATOM 271 NE2 HIS A 19 12.950 -3.679 14.470 1.00 0.00 N ATOM 0 H HIS A 19 15.142 -3.948 17.674 1.00 0.00 H new ATOM 0 HA HIS A 19 14.249 -6.599 17.469 1.00 0.00 H new ATOM 0 HB2 HIS A 19 16.439 -5.133 15.999 1.00 0.00 H new ATOM 0 HB3 HIS A 19 15.788 -6.693 15.536 1.00 0.00 H new ATOM 0 HD2 HIS A 19 14.134 -3.113 16.167 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.258 -4.973 12.855 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.363 -2.854 14.347 1.00 0.00 H new ATOM 279 N GLY A 20 17.430 -6.349 18.299 1.00 0.00 N ATOM 280 CA GLY A 20 18.521 -7.054 18.951 1.00 0.00 C ATOM 281 C GLY A 20 19.495 -7.630 17.921 1.00 0.00 C ATOM 282 O GLY A 20 19.110 -7.911 16.787 1.00 0.00 O ATOM 0 H GLY A 20 17.673 -5.426 17.939 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.051 -6.374 19.618 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.121 -7.858 19.568 1.00 0.00 H new ATOM 286 N SER A 21 20.737 -7.788 18.352 1.00 0.00 N ATOM 287 CA SER A 21 21.769 -8.326 17.482 1.00 0.00 C ATOM 288 C SER A 21 22.885 -8.954 18.319 1.00 0.00 C ATOM 289 O SER A 21 23.280 -8.404 19.346 1.00 0.00 O ATOM 290 CB SER A 21 22.339 -7.239 16.567 1.00 0.00 C ATOM 291 OG SER A 21 21.779 -7.296 15.258 1.00 0.00 O ATOM 0 H SER A 21 21.053 -7.553 19.293 1.00 0.00 H new ATOM 0 HA SER A 21 21.320 -9.095 16.853 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.144 -6.259 17.003 1.00 0.00 H new ATOM 0 HB3 SER A 21 23.422 -7.349 16.503 1.00 0.00 H new ATOM 0 HG SER A 21 20.825 -7.513 15.319 1.00 0.00 H new ATOM 297 N ALA A 22 23.362 -10.097 17.849 1.00 0.00 N ATOM 298 CA ALA A 22 24.425 -10.806 18.542 1.00 0.00 C ATOM 299 C ALA A 22 25.457 -9.797 19.051 1.00 0.00 C ATOM 300 O ALA A 22 25.912 -9.891 20.190 1.00 0.00 O ATOM 301 CB ALA A 22 25.040 -11.846 17.604 1.00 0.00 C ATOM 0 H ALA A 22 23.032 -10.550 16.997 1.00 0.00 H new ATOM 0 HA ALA A 22 24.031 -11.339 19.407 1.00 0.00 H new ATOM 0 HB1 ALA A 22 25.837 -12.378 18.123 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.273 -12.555 17.294 1.00 0.00 H new ATOM 0 HB3 ALA A 22 25.449 -11.347 16.726 1.00 0.00 H new ATOM 307 N LEU A 23 25.796 -8.856 18.182 1.00 0.00 N ATOM 308 CA LEU A 23 26.766 -7.832 18.529 1.00 0.00 C ATOM 309 C LEU A 23 26.163 -6.901 19.583 1.00 0.00 C ATOM 310 O LEU A 23 26.797 -6.610 20.596 1.00 0.00 O ATOM 311 CB LEU A 23 27.252 -7.106 17.273 1.00 0.00 C ATOM 312 CG LEU A 23 27.773 -5.682 17.481 1.00 0.00 C ATOM 313 CD1 LEU A 23 28.873 -5.650 18.544 1.00 0.00 C ATOM 314 CD2 LEU A 23 28.237 -5.070 16.157 1.00 0.00 C ATOM 0 H LEU A 23 25.416 -8.781 17.238 1.00 0.00 H new ATOM 0 HA LEU A 23 27.654 -8.283 18.972 1.00 0.00 H new ATOM 0 HB2 LEU A 23 28.045 -7.699 16.819 1.00 0.00 H new ATOM 0 HB3 LEU A 23 26.431 -7.070 16.557 1.00 0.00 H new ATOM 0 HG LEU A 23 26.952 -5.068 17.850 1.00 0.00 H new ATOM 0 HD11 LEU A 23 29.226 -4.627 18.672 1.00 0.00 H new ATOM 0 HD12 LEU A 23 28.476 -6.018 19.490 1.00 0.00 H new ATOM 0 HD13 LEU A 23 29.703 -6.283 18.228 1.00 0.00 H new ATOM 0 HD21 LEU A 23 28.603 -4.058 16.332 1.00 0.00 H new ATOM 0 HD22 LEU A 23 29.038 -5.678 15.736 1.00 0.00 H new ATOM 0 HD23 LEU A 23 27.401 -5.038 15.458 1.00 0.00 H new ATOM 326 N ASP A 24 24.944 -6.459 19.309 1.00 0.00 N ATOM 327 CA ASP A 24 24.248 -5.567 20.220 1.00 0.00 C ATOM 328 C ASP A 24 24.197 -6.204 21.610 1.00 0.00 C ATOM 329 O ASP A 24 24.303 -5.510 22.620 1.00 0.00 O ATOM 330 CB ASP A 24 22.810 -5.321 19.760 1.00 0.00 C ATOM 331 CG ASP A 24 22.196 -4.003 20.235 1.00 0.00 C ATOM 332 OD1 ASP A 24 22.711 -3.466 21.239 1.00 0.00 O ATOM 333 OD2 ASP A 24 21.225 -3.562 19.582 1.00 0.00 O ATOM 0 H ASP A 24 24.421 -6.703 18.468 1.00 0.00 H new ATOM 0 HA ASP A 24 24.786 -4.620 20.241 1.00 0.00 H new ATOM 0 HB2 ASP A 24 22.784 -5.345 18.671 1.00 0.00 H new ATOM 0 HB3 ASP A 24 22.186 -6.143 20.112 1.00 0.00 H new ATOM 338 N VAL A 25 24.035 -7.519 21.618 1.00 0.00 N ATOM 339 CA VAL A 25 23.968 -8.258 22.868 1.00 0.00 C ATOM 340 C VAL A 25 25.277 -8.069 23.637 1.00 0.00 C ATOM 341 O VAL A 25 25.272 -7.587 24.769 1.00 0.00 O ATOM 342 CB VAL A 25 23.645 -9.728 22.590 1.00 0.00 C ATOM 343 CG1 VAL A 25 23.736 -10.560 23.871 1.00 0.00 C ATOM 344 CG2 VAL A 25 22.269 -9.873 21.938 1.00 0.00 C ATOM 0 H VAL A 25 23.948 -8.092 20.779 1.00 0.00 H new ATOM 0 HA VAL A 25 23.163 -7.875 23.496 1.00 0.00 H new ATOM 0 HB VAL A 25 24.389 -10.108 21.890 1.00 0.00 H new ATOM 0 HG11 VAL A 25 23.502 -11.601 23.646 1.00 0.00 H new ATOM 0 HG12 VAL A 25 24.746 -10.494 24.276 1.00 0.00 H new ATOM 0 HG13 VAL A 25 23.025 -10.178 24.604 1.00 0.00 H new ATOM 0 HG21 VAL A 25 22.064 -10.927 21.751 1.00 0.00 H new ATOM 0 HG22 VAL A 25 21.507 -9.468 22.603 1.00 0.00 H new ATOM 0 HG23 VAL A 25 22.254 -9.328 20.994 1.00 0.00 H new ATOM 354 N LEU A 26 26.367 -8.458 22.992 1.00 0.00 N ATOM 355 CA LEU A 26 27.681 -8.337 23.602 1.00 0.00 C ATOM 356 C LEU A 26 27.873 -6.906 24.110 1.00 0.00 C ATOM 357 O LEU A 26 28.474 -6.693 25.162 1.00 0.00 O ATOM 358 CB LEU A 26 28.768 -8.795 22.628 1.00 0.00 C ATOM 359 CG LEU A 26 28.971 -10.307 22.512 1.00 0.00 C ATOM 360 CD1 LEU A 26 29.323 -10.704 21.077 1.00 0.00 C ATOM 361 CD2 LEU A 26 30.017 -10.797 23.516 1.00 0.00 C ATOM 0 H LEU A 26 26.368 -8.857 22.053 1.00 0.00 H new ATOM 0 HA LEU A 26 27.762 -8.996 24.466 1.00 0.00 H new ATOM 0 HB2 LEU A 26 28.530 -8.403 21.639 1.00 0.00 H new ATOM 0 HB3 LEU A 26 29.713 -8.344 22.931 1.00 0.00 H new ATOM 0 HG LEU A 26 28.031 -10.799 22.760 1.00 0.00 H new ATOM 0 HD11 LEU A 26 29.462 -11.784 21.022 1.00 0.00 H new ATOM 0 HD12 LEU A 26 28.514 -10.408 20.409 1.00 0.00 H new ATOM 0 HD13 LEU A 26 30.244 -10.204 20.777 1.00 0.00 H new ATOM 0 HD21 LEU A 26 30.143 -11.875 23.413 1.00 0.00 H new ATOM 0 HD22 LEU A 26 30.968 -10.300 23.322 1.00 0.00 H new ATOM 0 HD23 LEU A 26 29.686 -10.565 24.528 1.00 0.00 H new ATOM 373 N LEU A 27 27.351 -5.964 23.339 1.00 0.00 N ATOM 374 CA LEU A 27 27.457 -4.560 23.697 1.00 0.00 C ATOM 375 C LEU A 27 26.709 -4.315 25.009 1.00 0.00 C ATOM 376 O LEU A 27 27.166 -3.546 25.854 1.00 0.00 O ATOM 377 CB LEU A 27 26.982 -3.674 22.544 1.00 0.00 C ATOM 378 CG LEU A 27 27.831 -3.716 21.272 1.00 0.00 C ATOM 379 CD1 LEU A 27 27.133 -2.988 20.122 1.00 0.00 C ATOM 380 CD2 LEU A 27 29.235 -3.165 21.532 1.00 0.00 C ATOM 0 H LEU A 27 26.853 -6.145 22.467 1.00 0.00 H new ATOM 0 HA LEU A 27 28.499 -4.289 23.867 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.963 -3.962 22.286 1.00 0.00 H new ATOM 0 HB3 LEU A 27 26.942 -2.643 22.897 1.00 0.00 H new ATOM 0 HG LEU A 27 27.944 -4.757 20.971 1.00 0.00 H new ATOM 0 HD11 LEU A 27 27.758 -3.033 19.230 1.00 0.00 H new ATOM 0 HD12 LEU A 27 26.174 -3.465 19.918 1.00 0.00 H new ATOM 0 HD13 LEU A 27 26.968 -1.946 20.397 1.00 0.00 H new ATOM 0 HD21 LEU A 27 29.818 -3.206 20.612 1.00 0.00 H new ATOM 0 HD22 LEU A 27 29.163 -2.131 21.870 1.00 0.00 H new ATOM 0 HD23 LEU A 27 29.725 -3.765 22.299 1.00 0.00 H new ATOM 392 N SER A 28 25.573 -4.983 25.139 1.00 0.00 N ATOM 393 CA SER A 28 24.757 -4.847 26.334 1.00 0.00 C ATOM 394 C SER A 28 25.519 -5.375 27.551 1.00 0.00 C ATOM 395 O SER A 28 25.385 -4.842 28.651 1.00 0.00 O ATOM 396 CB SER A 28 23.426 -5.587 26.179 1.00 0.00 C ATOM 397 OG SER A 28 22.378 -4.957 26.910 1.00 0.00 O ATOM 0 H SER A 28 25.198 -5.620 24.437 1.00 0.00 H new ATOM 0 HA SER A 28 24.539 -3.789 26.481 1.00 0.00 H new ATOM 0 HB2 SER A 28 23.156 -5.631 25.124 1.00 0.00 H new ATOM 0 HB3 SER A 28 23.540 -6.615 26.522 1.00 0.00 H new ATOM 0 HG SER A 28 21.545 -5.458 26.785 1.00 0.00 H new ATOM 403 N MET A 29 26.303 -6.416 27.312 1.00 0.00 N ATOM 404 CA MET A 29 27.087 -7.022 28.375 1.00 0.00 C ATOM 405 C MET A 29 28.127 -6.040 28.917 1.00 0.00 C ATOM 406 O MET A 29 28.553 -6.153 30.065 1.00 0.00 O ATOM 407 CB MET A 29 27.794 -8.270 27.841 1.00 0.00 C ATOM 408 CG MET A 29 26.923 -9.514 28.026 1.00 0.00 C ATOM 409 SD MET A 29 27.950 -10.972 28.102 1.00 0.00 S ATOM 410 CE MET A 29 27.619 -11.669 26.493 1.00 0.00 C ATOM 0 H MET A 29 26.412 -6.855 26.398 1.00 0.00 H new ATOM 0 HA MET A 29 26.413 -7.295 29.187 1.00 0.00 H new ATOM 0 HB2 MET A 29 28.025 -8.137 26.784 1.00 0.00 H new ATOM 0 HB3 MET A 29 28.743 -8.405 28.360 1.00 0.00 H new ATOM 0 HG2 MET A 29 26.336 -9.424 28.940 1.00 0.00 H new ATOM 0 HG3 MET A 29 26.216 -9.599 27.200 1.00 0.00 H new ATOM 0 HE1 MET A 29 28.458 -12.294 26.188 1.00 0.00 H new ATOM 0 HE2 MET A 29 26.713 -12.274 26.538 1.00 0.00 H new ATOM 0 HE3 MET A 29 27.483 -10.865 25.769 1.00 0.00 H new ATOM 420 N GLY A 30 28.506 -5.098 28.065 1.00 0.00 N ATOM 421 CA GLY A 30 29.488 -4.096 28.445 1.00 0.00 C ATOM 422 C GLY A 30 30.766 -4.240 27.617 1.00 0.00 C ATOM 423 O GLY A 30 31.853 -3.900 28.081 1.00 0.00 O ATOM 0 H GLY A 30 28.151 -5.008 27.113 1.00 0.00 H new ATOM 0 HA2 GLY A 30 29.069 -3.100 28.304 1.00 0.00 H new ATOM 0 HA3 GLY A 30 29.724 -4.196 29.505 1.00 0.00 H new ATOM 427 N PHE A 31 30.593 -4.744 26.404 1.00 0.00 N ATOM 428 CA PHE A 31 31.719 -4.937 25.506 1.00 0.00 C ATOM 429 C PHE A 31 31.667 -3.948 24.340 1.00 0.00 C ATOM 430 O PHE A 31 30.587 -3.600 23.865 1.00 0.00 O ATOM 431 CB PHE A 31 31.615 -6.361 24.957 1.00 0.00 C ATOM 432 CG PHE A 31 31.976 -7.448 25.972 1.00 0.00 C ATOM 433 CD1 PHE A 31 31.020 -7.953 26.796 1.00 0.00 C ATOM 434 CD2 PHE A 31 33.253 -7.909 26.049 1.00 0.00 C ATOM 435 CE1 PHE A 31 31.355 -8.962 27.738 1.00 0.00 C ATOM 436 CE2 PHE A 31 33.589 -8.917 26.991 1.00 0.00 C ATOM 437 CZ PHE A 31 32.633 -9.422 27.815 1.00 0.00 C ATOM 0 H PHE A 31 29.690 -5.025 26.022 1.00 0.00 H new ATOM 0 HA PHE A 31 32.654 -4.775 26.042 1.00 0.00 H new ATOM 0 HB2 PHE A 31 30.597 -6.530 24.605 1.00 0.00 H new ATOM 0 HB3 PHE A 31 32.271 -6.454 24.091 1.00 0.00 H new ATOM 0 HD1 PHE A 31 30.006 -7.587 26.734 1.00 0.00 H new ATOM 0 HD2 PHE A 31 34.012 -7.508 25.393 1.00 0.00 H new ATOM 0 HE1 PHE A 31 30.596 -9.364 28.393 1.00 0.00 H new ATOM 0 HE2 PHE A 31 34.603 -9.282 27.053 1.00 0.00 H new ATOM 0 HZ PHE A 31 32.888 -10.189 28.531 1.00 0.00 H new ATOM 447 N PRO A 32 32.878 -3.513 23.901 1.00 0.00 N ATOM 448 CA PRO A 32 32.980 -2.571 22.799 1.00 0.00 C ATOM 449 C PRO A 32 32.704 -3.260 21.461 1.00 0.00 C ATOM 450 O PRO A 32 32.884 -4.470 21.333 1.00 0.00 O ATOM 451 CB PRO A 32 34.387 -2.003 22.896 1.00 0.00 C ATOM 452 CG PRO A 32 35.172 -2.981 23.755 1.00 0.00 C ATOM 453 CD PRO A 32 34.177 -3.904 24.439 1.00 0.00 C ATOM 0 HA PRO A 32 32.238 -1.774 22.857 1.00 0.00 H new ATOM 0 HB2 PRO A 32 34.837 -1.902 21.908 1.00 0.00 H new ATOM 0 HB3 PRO A 32 34.377 -1.010 23.344 1.00 0.00 H new ATOM 0 HG2 PRO A 32 35.866 -3.555 23.142 1.00 0.00 H new ATOM 0 HG3 PRO A 32 35.768 -2.446 24.495 1.00 0.00 H new ATOM 0 HD2 PRO A 32 34.396 -4.950 24.225 1.00 0.00 H new ATOM 0 HD3 PRO A 32 34.208 -3.787 25.522 1.00 0.00 H new ATOM 461 N ARG A 33 32.271 -2.460 20.498 1.00 0.00 N ATOM 462 CA ARG A 33 31.969 -2.977 19.174 1.00 0.00 C ATOM 463 C ARG A 33 33.138 -3.813 18.651 1.00 0.00 C ATOM 464 O ARG A 33 33.020 -5.029 18.505 1.00 0.00 O ATOM 465 CB ARG A 33 31.683 -1.841 18.191 1.00 0.00 C ATOM 466 CG ARG A 33 31.326 -2.390 16.808 1.00 0.00 C ATOM 467 CD ARG A 33 30.468 -1.392 16.027 1.00 0.00 C ATOM 468 NE ARG A 33 29.039 -1.587 16.356 1.00 0.00 N ATOM 469 CZ ARG A 33 28.028 -1.028 15.675 1.00 0.00 C ATOM 470 NH1 ARG A 33 28.284 -0.237 14.625 1.00 0.00 N ATOM 471 NH2 ARG A 33 26.762 -1.261 16.045 1.00 0.00 N ATOM 0 H ARG A 33 32.122 -1.457 20.608 1.00 0.00 H new ATOM 0 HA ARG A 33 31.080 -3.602 19.257 1.00 0.00 H new ATOM 0 HB2 ARG A 33 30.863 -1.229 18.566 1.00 0.00 H new ATOM 0 HB3 ARG A 33 32.556 -1.193 18.115 1.00 0.00 H new ATOM 0 HG2 ARG A 33 32.238 -2.605 16.251 1.00 0.00 H new ATOM 0 HG3 ARG A 33 30.788 -3.332 16.914 1.00 0.00 H new ATOM 0 HD2 ARG A 33 30.770 -0.373 16.269 1.00 0.00 H new ATOM 0 HD3 ARG A 33 30.625 -1.525 14.957 1.00 0.00 H new ATOM 0 HE ARG A 33 28.808 -2.184 17.150 1.00 0.00 H new ATOM 0 HH11 ARG A 33 29.248 -0.060 14.343 1.00 0.00 H new ATOM 0 HH12 ARG A 33 27.515 0.188 14.107 1.00 0.00 H new ATOM 0 HH21 ARG A 33 26.567 -1.863 16.845 1.00 0.00 H new ATOM 0 HH22 ARG A 33 25.993 -0.836 15.527 1.00 0.00 H new ATOM 485 N ALA A 34 34.241 -3.129 18.384 1.00 0.00 N ATOM 486 CA ALA A 34 35.431 -3.793 17.880 1.00 0.00 C ATOM 487 C ALA A 34 35.616 -5.123 18.614 1.00 0.00 C ATOM 488 O ALA A 34 35.770 -6.168 17.984 1.00 0.00 O ATOM 489 CB ALA A 34 36.638 -2.867 18.038 1.00 0.00 C ATOM 0 H ALA A 34 34.335 -2.121 18.507 1.00 0.00 H new ATOM 0 HA ALA A 34 35.327 -4.014 16.818 1.00 0.00 H new ATOM 0 HB1 ALA A 34 37.531 -3.365 17.660 1.00 0.00 H new ATOM 0 HB2 ALA A 34 36.469 -1.949 17.475 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.776 -2.626 19.092 1.00 0.00 H new ATOM 495 N ARG A 35 35.596 -5.041 19.936 1.00 0.00 N ATOM 496 CA ARG A 35 35.760 -6.225 20.763 1.00 0.00 C ATOM 497 C ARG A 35 34.900 -7.370 20.225 1.00 0.00 C ATOM 498 O ARG A 35 35.425 -8.380 19.759 1.00 0.00 O ATOM 499 CB ARG A 35 35.370 -5.941 22.215 1.00 0.00 C ATOM 500 CG ARG A 35 36.610 -5.837 23.105 1.00 0.00 C ATOM 501 CD ARG A 35 37.146 -7.224 23.463 1.00 0.00 C ATOM 502 NE ARG A 35 36.883 -7.515 24.890 1.00 0.00 N ATOM 503 CZ ARG A 35 37.576 -8.404 25.616 1.00 0.00 C ATOM 504 NH1 ARG A 35 38.577 -9.094 25.052 1.00 0.00 N ATOM 505 NH2 ARG A 35 37.268 -8.603 26.904 1.00 0.00 N ATOM 0 H ARG A 35 35.469 -4.173 20.456 1.00 0.00 H new ATOM 0 HA ARG A 35 36.812 -6.510 20.731 1.00 0.00 H new ATOM 0 HB2 ARG A 35 34.801 -5.013 22.268 1.00 0.00 H new ATOM 0 HB3 ARG A 35 34.720 -6.735 22.583 1.00 0.00 H new ATOM 0 HG2 ARG A 35 37.383 -5.266 22.592 1.00 0.00 H new ATOM 0 HG3 ARG A 35 36.363 -5.292 24.016 1.00 0.00 H new ATOM 0 HD2 ARG A 35 36.672 -7.979 22.836 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.217 -7.271 23.265 1.00 0.00 H new ATOM 0 HE ARG A 35 36.127 -7.007 25.350 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.811 -8.943 24.071 1.00 0.00 H new ATOM 0 HH12 ARG A 35 39.105 -9.770 25.604 1.00 0.00 H new ATOM 0 HH21 ARG A 35 36.506 -8.078 27.333 1.00 0.00 H new ATOM 0 HH22 ARG A 35 37.795 -9.279 27.456 1.00 0.00 H new ATOM 519 N ALA A 36 33.592 -7.175 20.308 1.00 0.00 N ATOM 520 CA ALA A 36 32.654 -8.180 19.836 1.00 0.00 C ATOM 521 C ALA A 36 32.903 -8.444 18.349 1.00 0.00 C ATOM 522 O ALA A 36 32.986 -9.596 17.926 1.00 0.00 O ATOM 523 CB ALA A 36 31.224 -7.713 20.113 1.00 0.00 C ATOM 0 H ALA A 36 33.160 -6.336 20.695 1.00 0.00 H new ATOM 0 HA ALA A 36 32.799 -9.121 20.367 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.520 -8.466 19.759 1.00 0.00 H new ATOM 0 HB2 ALA A 36 31.090 -7.566 21.185 1.00 0.00 H new ATOM 0 HB3 ALA A 36 31.041 -6.773 19.593 1.00 0.00 H new ATOM 529 N GLN A 37 33.015 -7.359 17.598 1.00 0.00 N ATOM 530 CA GLN A 37 33.252 -7.459 16.168 1.00 0.00 C ATOM 531 C GLN A 37 34.391 -8.441 15.887 1.00 0.00 C ATOM 532 O GLN A 37 34.204 -9.428 15.178 1.00 0.00 O ATOM 533 CB GLN A 37 33.551 -6.086 15.564 1.00 0.00 C ATOM 534 CG GLN A 37 32.279 -5.444 15.006 1.00 0.00 C ATOM 535 CD GLN A 37 32.301 -5.422 13.476 1.00 0.00 C ATOM 536 OE1 GLN A 37 33.135 -6.037 12.833 1.00 0.00 O ATOM 537 NE2 GLN A 37 31.340 -4.681 12.932 1.00 0.00 N ATOM 0 H GLN A 37 32.946 -6.405 17.953 1.00 0.00 H new ATOM 0 HA GLN A 37 32.346 -7.838 15.695 1.00 0.00 H new ATOM 0 HB2 GLN A 37 33.987 -5.437 16.324 1.00 0.00 H new ATOM 0 HB3 GLN A 37 34.290 -6.187 14.769 1.00 0.00 H new ATOM 0 HG2 GLN A 37 31.406 -5.997 15.353 1.00 0.00 H new ATOM 0 HG3 GLN A 37 32.184 -4.427 15.386 1.00 0.00 H new ATOM 0 HE21 GLN A 37 30.673 -4.192 13.529 1.00 0.00 H new ATOM 0 HE22 GLN A 37 31.269 -4.602 11.918 1.00 0.00 H new ATOM 546 N LYS A 38 35.547 -8.136 16.458 1.00 0.00 N ATOM 547 CA LYS A 38 36.717 -8.979 16.278 1.00 0.00 C ATOM 548 C LYS A 38 36.328 -10.440 16.511 1.00 0.00 C ATOM 549 O LYS A 38 36.478 -11.276 15.621 1.00 0.00 O ATOM 550 CB LYS A 38 37.866 -8.499 17.167 1.00 0.00 C ATOM 551 CG LYS A 38 39.178 -9.189 16.788 1.00 0.00 C ATOM 552 CD LYS A 38 40.138 -8.207 16.113 1.00 0.00 C ATOM 553 CE LYS A 38 41.282 -8.949 15.419 1.00 0.00 C ATOM 554 NZ LYS A 38 42.589 -8.390 15.833 1.00 0.00 N ATOM 0 H LYS A 38 35.699 -7.316 17.046 1.00 0.00 H new ATOM 0 HA LYS A 38 37.085 -8.906 15.255 1.00 0.00 H new ATOM 0 HB2 LYS A 38 37.978 -7.419 17.071 1.00 0.00 H new ATOM 0 HB3 LYS A 38 37.632 -8.704 18.212 1.00 0.00 H new ATOM 0 HG2 LYS A 38 39.645 -9.605 17.680 1.00 0.00 H new ATOM 0 HG3 LYS A 38 38.974 -10.023 16.117 1.00 0.00 H new ATOM 0 HD2 LYS A 38 39.595 -7.605 15.384 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.543 -7.520 16.856 1.00 0.00 H new ATOM 0 HE2 LYS A 38 41.239 -10.010 15.667 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.172 -8.869 14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 43.355 -8.905 15.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 42.634 -7.384 15.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 42.698 -8.488 16.863 1.00 0.00 H new ATOM 568 N ALA A 39 35.835 -10.703 17.712 1.00 0.00 N ATOM 569 CA ALA A 39 35.423 -12.049 18.074 1.00 0.00 C ATOM 570 C ALA A 39 34.436 -12.574 17.029 1.00 0.00 C ATOM 571 O ALA A 39 34.704 -13.574 16.364 1.00 0.00 O ATOM 572 CB ALA A 39 34.828 -12.040 19.484 1.00 0.00 C ATOM 0 H ALA A 39 35.711 -10.007 18.447 1.00 0.00 H new ATOM 0 HA ALA A 39 36.280 -12.722 18.086 1.00 0.00 H new ATOM 0 HB1 ALA A 39 34.519 -13.050 19.755 1.00 0.00 H new ATOM 0 HB2 ALA A 39 35.577 -11.687 20.193 1.00 0.00 H new ATOM 0 HB3 ALA A 39 33.963 -11.377 19.510 1.00 0.00 H new ATOM 578 N LEU A 40 33.316 -11.875 16.916 1.00 0.00 N ATOM 579 CA LEU A 40 32.288 -12.258 15.963 1.00 0.00 C ATOM 580 C LEU A 40 32.950 -12.697 14.654 1.00 0.00 C ATOM 581 O LEU A 40 32.815 -13.847 14.242 1.00 0.00 O ATOM 582 CB LEU A 40 31.271 -11.129 15.789 1.00 0.00 C ATOM 583 CG LEU A 40 30.233 -10.984 16.904 1.00 0.00 C ATOM 584 CD1 LEU A 40 29.858 -9.516 17.116 1.00 0.00 C ATOM 585 CD2 LEU A 40 29.006 -11.855 16.629 1.00 0.00 C ATOM 0 H LEU A 40 33.098 -11.046 17.469 1.00 0.00 H new ATOM 0 HA LEU A 40 31.721 -13.111 16.336 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.814 -10.188 15.700 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.744 -11.283 14.847 1.00 0.00 H new ATOM 0 HG LEU A 40 30.678 -11.340 17.833 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.119 -9.441 17.914 1.00 0.00 H new ATOM 0 HD12 LEU A 40 30.748 -8.949 17.391 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.440 -9.111 16.195 1.00 0.00 H new ATOM 0 HD21 LEU A 40 28.285 -11.733 17.437 1.00 0.00 H new ATOM 0 HD22 LEU A 40 28.550 -11.553 15.686 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.308 -12.900 16.568 1.00 0.00 H new ATOM 597 N ALA A 41 33.650 -11.756 14.039 1.00 0.00 N ATOM 598 CA ALA A 41 34.333 -12.030 12.786 1.00 0.00 C ATOM 599 C ALA A 41 34.978 -13.416 12.854 1.00 0.00 C ATOM 600 O ALA A 41 34.609 -14.314 12.098 1.00 0.00 O ATOM 601 CB ALA A 41 35.354 -10.925 12.508 1.00 0.00 C ATOM 0 H ALA A 41 33.759 -10.803 14.385 1.00 0.00 H new ATOM 0 HA ALA A 41 33.625 -12.036 11.957 1.00 0.00 H new ATOM 0 HB1 ALA A 41 35.866 -11.131 11.568 1.00 0.00 H new ATOM 0 HB2 ALA A 41 34.842 -9.965 12.440 1.00 0.00 H new ATOM 0 HB3 ALA A 41 36.082 -10.891 13.318 1.00 0.00 H new ATOM 607 N SER A 42 35.929 -13.547 13.767 1.00 0.00 N ATOM 608 CA SER A 42 36.628 -14.808 13.944 1.00 0.00 C ATOM 609 C SER A 42 35.631 -15.968 13.915 1.00 0.00 C ATOM 610 O SER A 42 35.780 -16.900 13.126 1.00 0.00 O ATOM 611 CB SER A 42 37.419 -14.820 15.254 1.00 0.00 C ATOM 612 OG SER A 42 38.776 -14.431 15.063 1.00 0.00 O ATOM 0 H SER A 42 36.232 -12.800 14.392 1.00 0.00 H new ATOM 0 HA SER A 42 37.335 -14.925 13.123 1.00 0.00 H new ATOM 0 HB2 SER A 42 36.946 -14.146 15.969 1.00 0.00 H new ATOM 0 HB3 SER A 42 37.386 -15.819 15.688 1.00 0.00 H new ATOM 0 HG SER A 42 39.301 -14.675 15.854 1.00 0.00 H new ATOM 618 N THR A 43 34.636 -15.873 14.785 1.00 0.00 N ATOM 619 CA THR A 43 33.614 -16.903 14.869 1.00 0.00 C ATOM 620 C THR A 43 32.445 -16.571 13.940 1.00 0.00 C ATOM 621 O THR A 43 31.296 -16.889 14.243 1.00 0.00 O ATOM 622 CB THR A 43 33.204 -17.043 16.336 1.00 0.00 C ATOM 623 OG1 THR A 43 32.359 -15.920 16.569 1.00 0.00 O ATOM 624 CG2 THR A 43 34.377 -16.832 17.295 1.00 0.00 C ATOM 0 H THR A 43 34.516 -15.099 15.438 1.00 0.00 H new ATOM 0 HA THR A 43 33.994 -17.867 14.530 1.00 0.00 H new ATOM 0 HB THR A 43 32.775 -18.032 16.500 1.00 0.00 H new ATOM 0 HG1 THR A 43 32.046 -15.933 17.498 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.031 -16.942 18.323 1.00 0.00 H new ATOM 0 HG22 THR A 43 35.151 -17.572 17.091 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.786 -15.831 17.155 1.00 0.00 H new ATOM 632 N GLY A 44 32.777 -15.934 12.826 1.00 0.00 N ATOM 633 CA GLY A 44 31.769 -15.556 11.851 1.00 0.00 C ATOM 634 C GLY A 44 30.772 -14.562 12.450 1.00 0.00 C ATOM 635 O GLY A 44 30.872 -13.359 12.215 1.00 0.00 O ATOM 0 H GLY A 44 33.730 -15.670 12.578 1.00 0.00 H new ATOM 0 HA2 GLY A 44 32.250 -15.113 10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 44 31.240 -16.445 11.507 1.00 0.00 H new ATOM 639 N GLY A 45 29.833 -15.102 13.213 1.00 0.00 N ATOM 640 CA GLY A 45 28.819 -14.278 13.849 1.00 0.00 C ATOM 641 C GLY A 45 27.485 -15.021 13.936 1.00 0.00 C ATOM 642 O GLY A 45 26.476 -14.557 13.407 1.00 0.00 O ATOM 0 H GLY A 45 29.753 -16.101 13.405 1.00 0.00 H new ATOM 0 HA2 GLY A 45 29.149 -13.997 14.849 1.00 0.00 H new ATOM 0 HA3 GLY A 45 28.689 -13.355 13.285 1.00 0.00 H new ATOM 646 N ARG A 46 27.522 -16.163 14.608 1.00 0.00 N ATOM 647 CA ARG A 46 26.329 -16.975 14.771 1.00 0.00 C ATOM 648 C ARG A 46 25.836 -16.908 16.218 1.00 0.00 C ATOM 649 O ARG A 46 24.683 -16.559 16.470 1.00 0.00 O ATOM 650 CB ARG A 46 26.599 -18.434 14.399 1.00 0.00 C ATOM 651 CG ARG A 46 25.574 -18.939 13.382 1.00 0.00 C ATOM 652 CD ARG A 46 24.851 -20.183 13.904 1.00 0.00 C ATOM 653 NE ARG A 46 23.457 -20.203 13.410 1.00 0.00 N ATOM 654 CZ ARG A 46 22.638 -21.259 13.512 1.00 0.00 C ATOM 655 NH1 ARG A 46 23.071 -22.388 14.091 1.00 0.00 N ATOM 656 NH2 ARG A 46 21.388 -21.187 13.035 1.00 0.00 N ATOM 0 H ARG A 46 28.360 -16.545 15.046 1.00 0.00 H new ATOM 0 HA ARG A 46 25.564 -16.578 14.103 1.00 0.00 H new ATOM 0 HB2 ARG A 46 27.603 -18.528 13.986 1.00 0.00 H new ATOM 0 HB3 ARG A 46 26.564 -19.054 15.295 1.00 0.00 H new ATOM 0 HG2 ARG A 46 24.848 -18.154 13.171 1.00 0.00 H new ATOM 0 HG3 ARG A 46 26.074 -19.172 12.442 1.00 0.00 H new ATOM 0 HD2 ARG A 46 25.374 -21.082 13.577 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.859 -20.188 14.994 1.00 0.00 H new ATOM 0 HE ARG A 46 23.096 -19.360 12.964 1.00 0.00 H new ATOM 0 HH11 ARG A 46 24.023 -22.443 14.453 1.00 0.00 H new ATOM 0 HH12 ARG A 46 22.449 -23.192 14.169 1.00 0.00 H new ATOM 0 HH21 ARG A 46 21.059 -20.328 12.594 1.00 0.00 H new ATOM 0 HH22 ARG A 46 20.765 -21.991 13.113 1.00 0.00 H new ATOM 670 N SER A 47 26.733 -17.248 17.132 1.00 0.00 N ATOM 671 CA SER A 47 26.404 -17.231 18.547 1.00 0.00 C ATOM 672 C SER A 47 27.351 -16.289 19.293 1.00 0.00 C ATOM 673 O SER A 47 28.486 -16.081 18.869 1.00 0.00 O ATOM 674 CB SER A 47 26.473 -18.637 19.145 1.00 0.00 C ATOM 675 OG SER A 47 25.592 -19.542 18.485 1.00 0.00 O ATOM 0 H SER A 47 27.688 -17.537 16.920 1.00 0.00 H new ATOM 0 HA SER A 47 25.382 -16.869 18.656 1.00 0.00 H new ATOM 0 HB2 SER A 47 27.495 -19.011 19.076 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.221 -18.593 20.204 1.00 0.00 H new ATOM 0 HG SER A 47 25.667 -20.429 18.895 1.00 0.00 H new ATOM 681 N VAL A 48 26.848 -15.745 20.392 1.00 0.00 N ATOM 682 CA VAL A 48 27.636 -14.831 21.202 1.00 0.00 C ATOM 683 C VAL A 48 28.513 -15.634 22.164 1.00 0.00 C ATOM 684 O VAL A 48 29.584 -15.179 22.560 1.00 0.00 O ATOM 685 CB VAL A 48 26.715 -13.840 21.917 1.00 0.00 C ATOM 686 CG1 VAL A 48 26.101 -12.849 20.927 1.00 0.00 C ATOM 687 CG2 VAL A 48 25.627 -14.573 22.705 1.00 0.00 C ATOM 0 H VAL A 48 25.905 -15.920 20.740 1.00 0.00 H new ATOM 0 HA VAL A 48 28.302 -14.240 20.573 1.00 0.00 H new ATOM 0 HB VAL A 48 27.319 -13.274 22.626 1.00 0.00 H new ATOM 0 HG11 VAL A 48 25.451 -12.156 21.461 1.00 0.00 H new ATOM 0 HG12 VAL A 48 26.895 -12.292 20.430 1.00 0.00 H new ATOM 0 HG13 VAL A 48 25.519 -13.392 20.183 1.00 0.00 H new ATOM 0 HG21 VAL A 48 24.986 -13.846 23.204 1.00 0.00 H new ATOM 0 HG22 VAL A 48 25.028 -15.177 22.023 1.00 0.00 H new ATOM 0 HG23 VAL A 48 26.090 -15.219 23.450 1.00 0.00 H new ATOM 697 N GLN A 49 28.025 -16.816 22.513 1.00 0.00 N ATOM 698 CA GLN A 49 28.751 -17.687 23.421 1.00 0.00 C ATOM 699 C GLN A 49 30.106 -18.067 22.822 1.00 0.00 C ATOM 700 O GLN A 49 31.148 -17.821 23.428 1.00 0.00 O ATOM 701 CB GLN A 49 27.930 -18.934 23.758 1.00 0.00 C ATOM 702 CG GLN A 49 27.505 -18.930 25.228 1.00 0.00 C ATOM 703 CD GLN A 49 28.462 -19.769 26.078 1.00 0.00 C ATOM 704 OE1 GLN A 49 29.134 -20.667 25.598 1.00 0.00 O ATOM 705 NE2 GLN A 49 28.486 -19.427 27.363 1.00 0.00 N ATOM 0 H GLN A 49 27.135 -17.190 22.183 1.00 0.00 H new ATOM 0 HA GLN A 49 28.926 -17.146 24.351 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.047 -18.976 23.121 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.517 -19.828 23.548 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.484 -17.906 25.601 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.492 -19.323 25.319 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.897 -18.665 27.699 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.093 -19.927 28.013 1.00 0.00 H new ATOM 714 N THR A 50 30.048 -18.662 21.640 1.00 0.00 N ATOM 715 CA THR A 50 31.259 -19.079 20.952 1.00 0.00 C ATOM 716 C THR A 50 32.271 -17.932 20.911 1.00 0.00 C ATOM 717 O THR A 50 33.440 -18.119 21.243 1.00 0.00 O ATOM 718 CB THR A 50 30.862 -19.590 19.566 1.00 0.00 C ATOM 719 OG1 THR A 50 30.411 -20.921 19.802 1.00 0.00 O ATOM 720 CG2 THR A 50 32.067 -19.764 18.639 1.00 0.00 C ATOM 0 H THR A 50 29.182 -18.865 21.141 1.00 0.00 H new ATOM 0 HA THR A 50 31.757 -19.890 21.483 1.00 0.00 H new ATOM 0 HB THR A 50 30.153 -18.897 19.114 1.00 0.00 H new ATOM 0 HG1 THR A 50 30.132 -21.327 18.955 1.00 0.00 H new ATOM 0 HG21 THR A 50 31.730 -20.129 17.669 1.00 0.00 H new ATOM 0 HG22 THR A 50 32.570 -18.805 18.512 1.00 0.00 H new ATOM 0 HG23 THR A 50 32.761 -20.482 19.075 1.00 0.00 H new ATOM 728 N ALA A 51 31.784 -16.771 20.500 1.00 0.00 N ATOM 729 CA ALA A 51 32.631 -15.594 20.411 1.00 0.00 C ATOM 730 C ALA A 51 33.357 -15.391 21.742 1.00 0.00 C ATOM 731 O ALA A 51 34.582 -15.277 21.774 1.00 0.00 O ATOM 732 CB ALA A 51 31.783 -14.382 20.019 1.00 0.00 C ATOM 0 H ALA A 51 30.813 -16.620 20.225 1.00 0.00 H new ATOM 0 HA ALA A 51 33.389 -15.725 19.639 1.00 0.00 H new ATOM 0 HB1 ALA A 51 32.419 -13.499 19.952 1.00 0.00 H new ATOM 0 HB2 ALA A 51 31.313 -14.564 19.053 1.00 0.00 H new ATOM 0 HB3 ALA A 51 31.012 -14.218 20.772 1.00 0.00 H new ATOM 738 N CYS A 52 32.572 -15.353 22.808 1.00 0.00 N ATOM 739 CA CYS A 52 33.125 -15.166 24.139 1.00 0.00 C ATOM 740 C CYS A 52 34.349 -16.072 24.282 1.00 0.00 C ATOM 741 O CYS A 52 35.437 -15.604 24.615 1.00 0.00 O ATOM 742 CB CYS A 52 32.084 -15.437 25.227 1.00 0.00 C ATOM 743 SG CYS A 52 31.410 -13.856 25.856 1.00 0.00 S ATOM 0 H CYS A 52 31.557 -15.449 22.778 1.00 0.00 H new ATOM 0 HA CYS A 52 33.427 -14.127 24.268 1.00 0.00 H new ATOM 0 HB2 CYS A 52 31.278 -16.051 24.826 1.00 0.00 H new ATOM 0 HB3 CYS A 52 32.537 -15.999 26.044 1.00 0.00 H new ATOM 0 HG CYS A 52 30.526 -14.097 26.778 1.00 0.00 H new ATOM 749 N ASP A 53 34.131 -17.353 24.022 1.00 0.00 N ATOM 750 CA ASP A 53 35.203 -18.329 24.118 1.00 0.00 C ATOM 751 C ASP A 53 36.436 -17.800 23.382 1.00 0.00 C ATOM 752 O ASP A 53 37.547 -17.854 23.906 1.00 0.00 O ATOM 753 CB ASP A 53 34.800 -19.656 23.471 1.00 0.00 C ATOM 754 CG ASP A 53 35.190 -20.906 24.262 1.00 0.00 C ATOM 755 OD1 ASP A 53 36.408 -21.086 24.474 1.00 0.00 O ATOM 756 OD2 ASP A 53 34.260 -21.653 24.637 1.00 0.00 O ATOM 0 H ASP A 53 33.228 -17.737 23.745 1.00 0.00 H new ATOM 0 HA ASP A 53 35.416 -18.493 25.174 1.00 0.00 H new ATOM 0 HB2 ASP A 53 33.720 -19.659 23.326 1.00 0.00 H new ATOM 0 HB3 ASP A 53 35.255 -19.714 22.482 1.00 0.00 H new ATOM 761 N TRP A 54 36.198 -17.300 22.178 1.00 0.00 N ATOM 762 CA TRP A 54 37.275 -16.762 21.365 1.00 0.00 C ATOM 763 C TRP A 54 37.850 -15.543 22.089 1.00 0.00 C ATOM 764 O TRP A 54 39.063 -15.428 22.252 1.00 0.00 O ATOM 765 CB TRP A 54 36.787 -16.442 19.950 1.00 0.00 C ATOM 766 CG TRP A 54 37.899 -16.018 18.989 1.00 0.00 C ATOM 767 CD1 TRP A 54 38.582 -16.784 18.128 1.00 0.00 C ATOM 768 CD2 TRP A 54 38.433 -14.687 18.826 1.00 0.00 C ATOM 769 NE1 TRP A 54 39.513 -16.048 17.424 1.00 0.00 N ATOM 770 CE2 TRP A 54 39.419 -14.732 17.862 1.00 0.00 C ATOM 771 CE3 TRP A 54 38.093 -13.485 19.470 1.00 0.00 C ATOM 772 CZ2 TRP A 54 40.147 -13.607 17.456 1.00 0.00 C ATOM 773 CZ3 TRP A 54 38.829 -12.369 19.054 1.00 0.00 C ATOM 774 CH2 TRP A 54 39.826 -12.398 18.085 1.00 0.00 C ATOM 0 H TRP A 54 35.275 -17.256 21.746 1.00 0.00 H new ATOM 0 HA TRP A 54 38.068 -17.499 21.239 1.00 0.00 H new ATOM 0 HB2 TRP A 54 36.284 -17.319 19.543 1.00 0.00 H new ATOM 0 HB3 TRP A 54 36.045 -15.646 20.004 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.424 -17.845 18.001 1.00 0.00 H new ATOM 0 HE1 TRP A 54 40.152 -16.404 16.713 1.00 0.00 H new ATOM 0 HE3 TRP A 54 37.324 -13.427 20.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 40.915 -13.668 16.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 38.607 -11.419 19.518 1.00 0.00 H new ATOM 0 HH2 TRP A 54 40.350 -11.492 17.819 1.00 0.00 H new ATOM 785 N LEU A 55 36.950 -14.662 22.504 1.00 0.00 N ATOM 786 CA LEU A 55 37.353 -13.456 23.207 1.00 0.00 C ATOM 787 C LEU A 55 38.408 -13.811 24.257 1.00 0.00 C ATOM 788 O LEU A 55 39.569 -13.424 24.131 1.00 0.00 O ATOM 789 CB LEU A 55 36.131 -12.737 23.781 1.00 0.00 C ATOM 790 CG LEU A 55 35.487 -11.682 22.879 1.00 0.00 C ATOM 791 CD1 LEU A 55 33.982 -11.584 23.137 1.00 0.00 C ATOM 792 CD2 LEU A 55 36.185 -10.330 23.033 1.00 0.00 C ATOM 0 H LEU A 55 35.944 -14.760 22.367 1.00 0.00 H new ATOM 0 HA LEU A 55 37.815 -12.749 22.517 1.00 0.00 H new ATOM 0 HB2 LEU A 55 35.377 -13.485 24.027 1.00 0.00 H new ATOM 0 HB3 LEU A 55 36.422 -12.258 24.716 1.00 0.00 H new ATOM 0 HG LEU A 55 35.615 -11.994 21.843 1.00 0.00 H new ATOM 0 HD11 LEU A 55 33.549 -10.827 22.483 1.00 0.00 H new ATOM 0 HD12 LEU A 55 33.515 -12.548 22.935 1.00 0.00 H new ATOM 0 HD13 LEU A 55 33.808 -11.307 24.177 1.00 0.00 H new ATOM 0 HD21 LEU A 55 35.708 -9.598 22.381 1.00 0.00 H new ATOM 0 HD22 LEU A 55 36.110 -9.998 24.068 1.00 0.00 H new ATOM 0 HD23 LEU A 55 37.235 -10.430 22.759 1.00 0.00 H new ATOM 804 N PHE A 56 37.966 -14.542 25.269 1.00 0.00 N ATOM 805 CA PHE A 56 38.858 -14.953 26.340 1.00 0.00 C ATOM 806 C PHE A 56 40.075 -15.695 25.786 1.00 0.00 C ATOM 807 O PHE A 56 41.214 -15.340 26.088 1.00 0.00 O ATOM 808 CB PHE A 56 38.065 -15.901 27.243 1.00 0.00 C ATOM 809 CG PHE A 56 36.743 -15.319 27.748 1.00 0.00 C ATOM 810 CD1 PHE A 56 36.730 -14.126 28.401 1.00 0.00 C ATOM 811 CD2 PHE A 56 35.581 -15.995 27.544 1.00 0.00 C ATOM 812 CE1 PHE A 56 35.503 -13.586 28.869 1.00 0.00 C ATOM 813 CE2 PHE A 56 34.354 -15.456 28.012 1.00 0.00 C ATOM 814 CZ PHE A 56 34.341 -14.263 28.665 1.00 0.00 C ATOM 0 H PHE A 56 37.002 -14.860 25.370 1.00 0.00 H new ATOM 0 HA PHE A 56 39.216 -14.078 26.882 1.00 0.00 H new ATOM 0 HB2 PHE A 56 37.860 -16.821 26.695 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.682 -16.171 28.100 1.00 0.00 H new ATOM 0 HD1 PHE A 56 37.653 -13.589 28.564 1.00 0.00 H new ATOM 0 HD2 PHE A 56 35.592 -16.942 27.026 1.00 0.00 H new ATOM 0 HE1 PHE A 56 35.492 -12.638 29.387 1.00 0.00 H new ATOM 0 HE2 PHE A 56 33.431 -15.993 27.850 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.408 -13.853 29.022 1.00 0.00 H new ATOM 824 N SER A 57 39.794 -16.712 24.985 1.00 0.00 N ATOM 825 CA SER A 57 40.852 -17.507 24.385 1.00 0.00 C ATOM 826 C SER A 57 41.979 -17.727 25.397 1.00 0.00 C ATOM 827 O SER A 57 42.965 -16.991 25.403 1.00 0.00 O ATOM 828 CB SER A 57 41.396 -16.838 23.122 1.00 0.00 C ATOM 829 OG SER A 57 42.681 -17.338 22.763 1.00 0.00 O ATOM 0 H SER A 57 38.849 -17.004 24.737 1.00 0.00 H new ATOM 0 HA SER A 57 40.434 -18.473 24.100 1.00 0.00 H new ATOM 0 HB2 SER A 57 40.701 -17.000 22.298 1.00 0.00 H new ATOM 0 HB3 SER A 57 41.457 -15.761 23.280 1.00 0.00 H new ATOM 0 HG SER A 57 43.333 -17.090 23.451 1.00 0.00 H new ATOM 835 N HIS A 58 41.796 -18.742 26.228 1.00 0.00 N ATOM 836 CA HIS A 58 42.785 -19.067 27.242 1.00 0.00 C ATOM 837 C HIS A 58 43.782 -20.082 26.679 1.00 0.00 C ATOM 838 O HIS A 58 44.969 -19.787 26.553 1.00 0.00 O ATOM 839 CB HIS A 58 42.108 -19.551 28.526 1.00 0.00 C ATOM 840 CG HIS A 58 42.566 -18.829 29.771 1.00 0.00 C ATOM 841 ND1 HIS A 58 41.820 -17.833 30.377 1.00 0.00 N ATOM 842 CD2 HIS A 58 43.699 -18.970 30.516 1.00 0.00 C ATOM 843 CE1 HIS A 58 42.485 -17.401 31.439 1.00 0.00 C ATOM 844 NE2 HIS A 58 43.650 -18.106 31.523 1.00 0.00 N ATOM 0 H HIS A 58 40.977 -19.351 26.220 1.00 0.00 H new ATOM 0 HA HIS A 58 43.344 -18.171 27.511 1.00 0.00 H new ATOM 0 HB2 HIS A 58 41.030 -19.430 28.424 1.00 0.00 H new ATOM 0 HB3 HIS A 58 42.299 -20.617 28.646 1.00 0.00 H new ATOM 0 HD2 HIS A 58 44.501 -19.667 30.320 1.00 0.00 H new ATOM 0 HE1 HIS A 58 42.161 -16.627 32.119 1.00 0.00 H new ATOM 0 HE2 HIS A 58 44.365 -17.989 32.241 1.00 0.00 H new ATOM 852 N SER A 59 43.262 -21.257 26.355 1.00 0.00 N ATOM 853 CA SER A 59 44.092 -22.318 25.809 1.00 0.00 C ATOM 854 C SER A 59 43.377 -22.989 24.635 1.00 0.00 C ATOM 855 O SER A 59 42.149 -23.047 24.602 1.00 0.00 O ATOM 856 CB SER A 59 44.439 -23.353 26.881 1.00 0.00 C ATOM 857 OG SER A 59 43.275 -23.949 27.444 1.00 0.00 O ATOM 0 H SER A 59 42.276 -21.498 26.460 1.00 0.00 H new ATOM 0 HA SER A 59 45.023 -21.876 25.455 1.00 0.00 H new ATOM 0 HB2 SER A 59 45.069 -24.129 26.446 1.00 0.00 H new ATOM 0 HB3 SER A 59 45.020 -22.876 27.670 1.00 0.00 H new ATOM 0 HG SER A 59 43.539 -24.605 28.123 1.00 0.00 H new ATOM 863 N GLY A 60 44.176 -23.480 23.699 1.00 0.00 N ATOM 864 CA GLY A 60 43.635 -24.145 22.526 1.00 0.00 C ATOM 865 C GLY A 60 44.456 -23.811 21.279 1.00 0.00 C ATOM 866 O GLY A 60 45.162 -22.804 21.247 1.00 0.00 O ATOM 0 H GLY A 60 45.194 -23.430 23.729 1.00 0.00 H new ATOM 0 HA2 GLY A 60 43.630 -25.223 22.685 1.00 0.00 H new ATOM 0 HA3 GLY A 60 42.599 -23.840 22.376 1.00 0.00 H new ATOM 870 N PRO A 61 44.333 -24.698 20.256 1.00 0.00 N ATOM 871 CA PRO A 61 45.056 -24.508 19.009 1.00 0.00 C ATOM 872 C PRO A 61 44.418 -23.399 18.170 1.00 0.00 C ATOM 873 O PRO A 61 45.052 -22.381 17.895 1.00 0.00 O ATOM 874 CB PRO A 61 45.023 -25.864 18.324 1.00 0.00 C ATOM 875 CG PRO A 61 43.894 -26.638 18.985 1.00 0.00 C ATOM 876 CD PRO A 61 43.507 -25.902 20.258 1.00 0.00 C ATOM 0 HA PRO A 61 46.084 -24.180 19.164 1.00 0.00 H new ATOM 0 HB2 PRO A 61 44.848 -25.757 17.253 1.00 0.00 H new ATOM 0 HB3 PRO A 61 45.974 -26.384 18.441 1.00 0.00 H new ATOM 0 HG2 PRO A 61 43.039 -26.714 18.313 1.00 0.00 H new ATOM 0 HG3 PRO A 61 44.211 -27.655 19.214 1.00 0.00 H new ATOM 0 HD2 PRO A 61 42.446 -25.654 20.265 1.00 0.00 H new ATOM 0 HD3 PRO A 61 43.698 -26.512 21.141 1.00 0.00 H new ATOM 884 N SER A 62 43.171 -23.633 17.787 1.00 0.00 N ATOM 885 CA SER A 62 42.441 -22.666 16.985 1.00 0.00 C ATOM 886 C SER A 62 40.941 -22.961 17.048 1.00 0.00 C ATOM 887 O SER A 62 40.537 -24.105 17.251 1.00 0.00 O ATOM 888 CB SER A 62 42.923 -22.679 15.533 1.00 0.00 C ATOM 889 OG SER A 62 42.454 -23.822 14.824 1.00 0.00 O ATOM 0 H SER A 62 42.648 -24.478 18.017 1.00 0.00 H new ATOM 0 HA SER A 62 42.628 -21.673 17.393 1.00 0.00 H new ATOM 0 HB2 SER A 62 42.581 -21.775 15.030 1.00 0.00 H new ATOM 0 HB3 SER A 62 44.013 -22.662 15.513 1.00 0.00 H new ATOM 0 HG SER A 62 42.782 -23.792 13.901 1.00 0.00 H new ATOM 895 N SER A 63 40.156 -21.909 16.871 1.00 0.00 N ATOM 896 CA SER A 63 38.709 -22.040 16.905 1.00 0.00 C ATOM 897 C SER A 63 38.280 -22.770 18.180 1.00 0.00 C ATOM 898 O SER A 63 37.988 -23.964 18.147 1.00 0.00 O ATOM 899 CB SER A 63 38.194 -22.782 15.670 1.00 0.00 C ATOM 900 OG SER A 63 37.122 -22.087 15.038 1.00 0.00 O ATOM 0 H SER A 63 40.494 -20.961 16.703 1.00 0.00 H new ATOM 0 HA SER A 63 38.275 -21.040 16.902 1.00 0.00 H new ATOM 0 HB2 SER A 63 39.010 -22.913 14.959 1.00 0.00 H new ATOM 0 HB3 SER A 63 37.860 -23.778 15.959 1.00 0.00 H new ATOM 0 HG SER A 63 36.822 -22.592 14.253 1.00 0.00 H new ATOM 906 N GLY A 64 38.255 -22.020 19.272 1.00 0.00 N ATOM 907 CA GLY A 64 37.867 -22.581 20.555 1.00 0.00 C ATOM 908 C GLY A 64 36.776 -21.735 21.215 1.00 0.00 C ATOM 909 O GLY A 64 37.065 -20.904 22.075 1.00 0.00 O ATOM 0 H GLY A 64 38.497 -21.029 19.295 1.00 0.00 H new ATOM 0 HA2 GLY A 64 37.508 -23.601 20.417 1.00 0.00 H new ATOM 0 HA3 GLY A 64 38.736 -22.636 21.210 1.00 0.00 H new TER 913 GLY A 64