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 29 MET CE :methyl -150:sc= -1.62 (180deg=-1.42!) USER MOD Set 1.2: A 52 CYS SG : rot 85:sc= -0.729 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 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= -0.163 X(o=-0.16,f=-0.48) USER MOD Single : A 11 GLN : amide:sc= -0.0123 K(o=-0.012,f=-1.5!) USER MOD Single : A 12 GLN : amide:sc= -0.0886 X(o=-0.089,f=-0.57) USER MOD Single : A 16 THR OG1 : rot -64:sc= 1.2 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 21 SER OG : rot 111:sc= 0.173 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 164:sc= 0.116 USER MOD Single : A 43 THR OG1 : rot -120:sc= 0.0407 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.42) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 90:sc= 0.293 USER MOD Single : A 58 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.23) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0501 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 41:sc= 0.143 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 3.423 -0.700 -1.074 1.00 0.00 C ATOM 4 O GLY A 1 4.276 -0.235 -0.319 1.00 0.00 O ATOM 0 H1 GLY A 1 0.414 0.480 -0.143 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.156 -0.980 0.303 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.869 0.500 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.495 -0.502 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.231 1.026 -1.579 1.00 0.00 H new ATOM 8 N SER A 2 3.575 -1.805 -1.788 1.00 0.00 N ATOM 9 CA SER A 2 4.807 -2.573 -1.724 1.00 0.00 C ATOM 10 C SER A 2 4.709 -3.797 -2.638 1.00 0.00 C ATOM 11 O SER A 2 3.657 -4.430 -2.722 1.00 0.00 O ATOM 12 CB SER A 2 5.113 -3.006 -0.289 1.00 0.00 C ATOM 13 OG SER A 2 6.458 -2.717 0.080 1.00 0.00 O ATOM 0 H SER A 2 2.866 -2.187 -2.414 1.00 0.00 H new ATOM 0 HA SER A 2 5.624 -1.937 -2.065 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.432 -2.500 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.931 -4.076 -0.186 1.00 0.00 H new ATOM 0 HG SER A 2 6.613 -3.007 1.003 1.00 0.00 H new ATOM 19 N SER A 3 5.818 -4.093 -3.299 1.00 0.00 N ATOM 20 CA SER A 3 5.870 -5.229 -4.203 1.00 0.00 C ATOM 21 C SER A 3 7.266 -5.346 -4.818 1.00 0.00 C ATOM 22 O SER A 3 7.659 -4.515 -5.635 1.00 0.00 O ATOM 23 CB SER A 3 4.814 -5.106 -5.303 1.00 0.00 C ATOM 24 OG SER A 3 4.434 -6.377 -5.823 1.00 0.00 O ATOM 0 H SER A 3 6.688 -3.566 -3.227 1.00 0.00 H new ATOM 0 HA SER A 3 5.656 -6.131 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.934 -4.599 -4.906 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.202 -4.485 -6.111 1.00 0.00 H new ATOM 0 HG SER A 3 3.757 -6.256 -6.521 1.00 0.00 H new ATOM 30 N GLY A 4 7.977 -6.383 -4.401 1.00 0.00 N ATOM 31 CA GLY A 4 9.321 -6.619 -4.900 1.00 0.00 C ATOM 32 C GLY A 4 10.346 -6.556 -3.766 1.00 0.00 C ATOM 33 O GLY A 4 10.497 -5.521 -3.118 1.00 0.00 O ATOM 0 H GLY A 4 7.647 -7.070 -3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.367 -7.595 -5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.567 -5.876 -5.659 1.00 0.00 H new ATOM 37 N SER A 5 11.024 -7.675 -3.561 1.00 0.00 N ATOM 38 CA SER A 5 12.030 -7.760 -2.516 1.00 0.00 C ATOM 39 C SER A 5 12.752 -9.107 -2.593 1.00 0.00 C ATOM 40 O SER A 5 12.327 -10.080 -1.972 1.00 0.00 O ATOM 41 CB SER A 5 11.406 -7.571 -1.133 1.00 0.00 C ATOM 42 OG SER A 5 12.094 -6.587 -0.366 1.00 0.00 O ATOM 0 H SER A 5 10.897 -8.531 -4.101 1.00 0.00 H new ATOM 0 HA SER A 5 12.752 -6.958 -2.671 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.362 -7.279 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.417 -8.520 -0.598 1.00 0.00 H new ATOM 0 HG SER A 5 11.664 -6.495 0.510 1.00 0.00 H new ATOM 48 N SER A 6 13.832 -9.120 -3.361 1.00 0.00 N ATOM 49 CA SER A 6 14.617 -10.332 -3.527 1.00 0.00 C ATOM 50 C SER A 6 16.089 -10.048 -3.221 1.00 0.00 C ATOM 51 O SER A 6 16.674 -10.671 -2.336 1.00 0.00 O ATOM 52 CB SER A 6 14.469 -10.895 -4.942 1.00 0.00 C ATOM 53 OG SER A 6 14.390 -12.317 -4.945 1.00 0.00 O ATOM 0 H SER A 6 14.182 -8.311 -3.875 1.00 0.00 H new ATOM 0 HA SER A 6 14.244 -11.079 -2.827 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.573 -10.481 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.317 -10.578 -5.549 1.00 0.00 H new ATOM 0 HG SER A 6 14.294 -12.637 -5.866 1.00 0.00 H new ATOM 59 N GLY A 7 16.645 -9.106 -3.969 1.00 0.00 N ATOM 60 CA GLY A 7 18.037 -8.732 -3.788 1.00 0.00 C ATOM 61 C GLY A 7 18.787 -8.749 -5.122 1.00 0.00 C ATOM 62 O GLY A 7 18.944 -9.803 -5.737 1.00 0.00 O ATOM 0 H GLY A 7 16.157 -8.591 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.096 -7.737 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.514 -9.419 -3.090 1.00 0.00 H new ATOM 66 N ARG A 8 19.231 -7.569 -5.530 1.00 0.00 N ATOM 67 CA ARG A 8 19.960 -7.435 -6.779 1.00 0.00 C ATOM 68 C ARG A 8 21.445 -7.189 -6.503 1.00 0.00 C ATOM 69 O ARG A 8 21.799 -6.569 -5.502 1.00 0.00 O ATOM 70 CB ARG A 8 19.407 -6.282 -7.619 1.00 0.00 C ATOM 71 CG ARG A 8 19.593 -4.943 -6.903 1.00 0.00 C ATOM 72 CD ARG A 8 19.641 -3.788 -7.905 1.00 0.00 C ATOM 73 NE ARG A 8 18.684 -2.732 -7.506 1.00 0.00 N ATOM 74 CZ ARG A 8 18.289 -1.734 -8.308 1.00 0.00 C ATOM 75 NH1 ARG A 8 18.766 -1.650 -9.558 1.00 0.00 N ATOM 76 NH2 ARG A 8 17.416 -0.820 -7.861 1.00 0.00 N ATOM 0 H ARG A 8 19.100 -6.697 -5.017 1.00 0.00 H new ATOM 0 HA ARG A 8 19.839 -8.365 -7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 8 19.913 -6.256 -8.584 1.00 0.00 H new ATOM 0 HB3 ARG A 8 18.348 -6.448 -7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.775 -4.786 -6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 8 20.514 -4.963 -6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 8 20.650 -3.378 -7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.399 -4.152 -8.904 1.00 0.00 H new ATOM 0 HE ARG A 8 18.301 -2.766 -6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 8 19.430 -2.346 -9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.465 -0.890 -10.169 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.052 -0.884 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.115 -0.060 -8.472 1.00 0.00 H new ATOM 90 N ASN A 9 22.273 -7.688 -7.410 1.00 0.00 N ATOM 91 CA ASN A 9 23.711 -7.529 -7.276 1.00 0.00 C ATOM 92 C ASN A 9 24.408 -8.237 -8.441 1.00 0.00 C ATOM 93 O ASN A 9 23.825 -9.113 -9.078 1.00 0.00 O ATOM 94 CB ASN A 9 24.216 -8.154 -5.974 1.00 0.00 C ATOM 95 CG ASN A 9 23.961 -9.663 -5.955 1.00 0.00 C ATOM 96 OD1 ASN A 9 22.840 -10.128 -5.832 1.00 0.00 O ATOM 97 ND2 ASN A 9 25.061 -10.399 -6.083 1.00 0.00 N ATOM 0 H ASN A 9 21.976 -8.202 -8.239 1.00 0.00 H new ATOM 0 HA ASN A 9 23.933 -6.462 -7.274 1.00 0.00 H new ATOM 0 HB2 ASN A 9 25.283 -7.960 -5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 9 23.718 -7.687 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 9 24.996 -11.417 -6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 9 25.969 -9.946 -6.182 1.00 0.00 H new ATOM 104 N ARG A 10 25.645 -7.829 -8.684 1.00 0.00 N ATOM 105 CA ARG A 10 26.427 -8.413 -9.760 1.00 0.00 C ATOM 106 C ARG A 10 25.758 -8.142 -11.110 1.00 0.00 C ATOM 107 O ARG A 10 24.612 -8.532 -11.327 1.00 0.00 O ATOM 108 CB ARG A 10 26.584 -9.923 -9.571 1.00 0.00 C ATOM 109 CG ARG A 10 28.028 -10.283 -9.214 1.00 0.00 C ATOM 110 CD ARG A 10 28.237 -10.270 -7.698 1.00 0.00 C ATOM 111 NE ARG A 10 29.667 -10.051 -7.386 1.00 0.00 N ATOM 112 CZ ARG A 10 30.135 -9.772 -6.162 1.00 0.00 C ATOM 113 NH1 ARG A 10 29.289 -9.675 -5.128 1.00 0.00 N ATOM 114 NH2 ARG A 10 31.449 -9.589 -5.973 1.00 0.00 N ATOM 0 H ARG A 10 26.125 -7.101 -8.154 1.00 0.00 H new ATOM 0 HA ARG A 10 27.414 -7.951 -9.740 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.914 -10.266 -8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.292 -10.440 -10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.269 -11.270 -9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 10 28.710 -9.575 -9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 10 27.633 -9.483 -7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 10 27.903 -11.215 -7.268 1.00 0.00 H new ATOM 0 HE ARG A 10 30.339 -10.117 -8.151 1.00 0.00 H new ATOM 0 HH11 ARG A 10 28.289 -9.814 -5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 10 29.645 -9.463 -4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 10 32.093 -9.662 -6.761 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.806 -9.377 -5.041 1.00 0.00 H new ATOM 128 N GLN A 11 26.502 -7.477 -11.980 1.00 0.00 N ATOM 129 CA GLN A 11 25.995 -7.149 -13.302 1.00 0.00 C ATOM 130 C GLN A 11 27.141 -7.110 -14.315 1.00 0.00 C ATOM 131 O GLN A 11 27.885 -6.132 -14.379 1.00 0.00 O ATOM 132 CB GLN A 11 25.234 -5.823 -13.284 1.00 0.00 C ATOM 133 CG GLN A 11 24.375 -5.667 -14.541 1.00 0.00 C ATOM 134 CD GLN A 11 22.966 -6.218 -14.313 1.00 0.00 C ATOM 135 OE1 GLN A 11 22.774 -7.326 -13.840 1.00 0.00 O ATOM 136 NE2 GLN A 11 21.994 -5.385 -14.675 1.00 0.00 N ATOM 0 H GLN A 11 27.452 -7.156 -11.796 1.00 0.00 H new ATOM 0 HA GLN A 11 25.295 -7.927 -13.605 1.00 0.00 H new ATOM 0 HB2 GLN A 11 24.601 -5.775 -12.398 1.00 0.00 H new ATOM 0 HB3 GLN A 11 25.940 -4.995 -13.216 1.00 0.00 H new ATOM 0 HG2 GLN A 11 24.317 -4.614 -14.818 1.00 0.00 H new ATOM 0 HG3 GLN A 11 24.844 -6.191 -15.374 1.00 0.00 H new ATOM 0 HE21 GLN A 11 22.224 -4.471 -15.065 1.00 0.00 H new ATOM 0 HE22 GLN A 11 21.018 -5.660 -14.563 1.00 0.00 H new ATOM 145 N GLN A 12 27.248 -8.185 -15.082 1.00 0.00 N ATOM 146 CA GLN A 12 28.291 -8.286 -16.089 1.00 0.00 C ATOM 147 C GLN A 12 27.717 -7.997 -17.477 1.00 0.00 C ATOM 148 O GLN A 12 28.118 -7.034 -18.130 1.00 0.00 O ATOM 149 CB GLN A 12 28.961 -9.661 -16.048 1.00 0.00 C ATOM 150 CG GLN A 12 30.274 -9.608 -15.265 1.00 0.00 C ATOM 151 CD GLN A 12 30.233 -10.551 -14.061 1.00 0.00 C ATOM 152 OE1 GLN A 12 29.218 -10.718 -13.405 1.00 0.00 O ATOM 153 NE2 GLN A 12 31.390 -11.156 -13.808 1.00 0.00 N ATOM 0 H GLN A 12 26.629 -8.994 -15.026 1.00 0.00 H new ATOM 0 HA GLN A 12 29.055 -7.540 -15.870 1.00 0.00 H new ATOM 0 HB2 GLN A 12 28.288 -10.384 -15.587 1.00 0.00 H new ATOM 0 HB3 GLN A 12 29.153 -10.006 -17.064 1.00 0.00 H new ATOM 0 HG2 GLN A 12 31.102 -9.882 -15.918 1.00 0.00 H new ATOM 0 HG3 GLN A 12 30.459 -8.588 -14.927 1.00 0.00 H new ATOM 0 HE21 GLN A 12 32.202 -10.971 -14.397 1.00 0.00 H new ATOM 0 HE22 GLN A 12 31.466 -11.805 -13.025 1.00 0.00 H new ATOM 162 N ARG A 13 26.788 -8.847 -17.888 1.00 0.00 N ATOM 163 CA ARG A 13 26.155 -8.694 -19.187 1.00 0.00 C ATOM 164 C ARG A 13 24.679 -8.329 -19.019 1.00 0.00 C ATOM 165 O ARG A 13 24.044 -8.730 -18.045 1.00 0.00 O ATOM 166 CB ARG A 13 26.265 -9.981 -20.008 1.00 0.00 C ATOM 167 CG ARG A 13 27.552 -9.995 -20.836 1.00 0.00 C ATOM 168 CD ARG A 13 28.077 -11.422 -21.009 1.00 0.00 C ATOM 169 NE ARG A 13 29.347 -11.405 -21.769 1.00 0.00 N ATOM 170 CZ ARG A 13 29.907 -12.491 -22.320 1.00 0.00 C ATOM 171 NH1 ARG A 13 29.313 -13.686 -22.198 1.00 0.00 N ATOM 172 NH2 ARG A 13 31.060 -12.381 -22.993 1.00 0.00 N ATOM 0 H ARG A 13 26.458 -9.644 -17.344 1.00 0.00 H new ATOM 0 HA ARG A 13 26.672 -7.894 -19.716 1.00 0.00 H new ATOM 0 HB2 ARG A 13 26.247 -10.844 -19.342 1.00 0.00 H new ATOM 0 HB3 ARG A 13 25.402 -10.070 -20.668 1.00 0.00 H new ATOM 0 HG2 ARG A 13 27.364 -9.552 -21.814 1.00 0.00 H new ATOM 0 HG3 ARG A 13 28.309 -9.382 -20.348 1.00 0.00 H new ATOM 0 HD2 ARG A 13 28.234 -11.882 -20.033 1.00 0.00 H new ATOM 0 HD3 ARG A 13 27.338 -12.029 -21.532 1.00 0.00 H new ATOM 0 HE ARG A 13 29.826 -10.511 -21.880 1.00 0.00 H new ATOM 0 HH11 ARG A 13 28.435 -13.769 -21.686 1.00 0.00 H new ATOM 0 HH12 ARG A 13 29.739 -14.512 -22.617 1.00 0.00 H new ATOM 0 HH21 ARG A 13 31.511 -11.471 -23.086 1.00 0.00 H new ATOM 0 HH22 ARG A 13 31.487 -13.207 -23.412 1.00 0.00 H new ATOM 186 N PRO A 14 24.163 -7.553 -20.009 1.00 0.00 N ATOM 187 CA PRO A 14 22.773 -7.129 -19.980 1.00 0.00 C ATOM 188 C PRO A 14 21.840 -8.283 -20.352 1.00 0.00 C ATOM 189 O PRO A 14 22.293 -9.406 -20.571 1.00 0.00 O ATOM 190 CB PRO A 14 22.697 -5.965 -20.955 1.00 0.00 C ATOM 191 CG PRO A 14 23.930 -6.078 -21.836 1.00 0.00 C ATOM 192 CD PRO A 14 24.886 -7.059 -21.177 1.00 0.00 C ATOM 0 HA PRO A 14 22.447 -6.821 -18.986 1.00 0.00 H new ATOM 0 HB2 PRO A 14 21.786 -6.014 -21.551 1.00 0.00 H new ATOM 0 HB3 PRO A 14 22.681 -5.012 -20.425 1.00 0.00 H new ATOM 0 HG2 PRO A 14 23.656 -6.423 -22.833 1.00 0.00 H new ATOM 0 HG3 PRO A 14 24.405 -5.104 -21.955 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.148 -7.872 -21.854 1.00 0.00 H new ATOM 0 HD3 PRO A 14 25.817 -6.572 -20.889 1.00 0.00 H new ATOM 200 N GLY A 15 20.555 -7.967 -20.412 1.00 0.00 N ATOM 201 CA GLY A 15 19.555 -8.964 -20.754 1.00 0.00 C ATOM 202 C GLY A 15 19.313 -9.921 -19.585 1.00 0.00 C ATOM 203 O GLY A 15 18.278 -9.852 -18.925 1.00 0.00 O ATOM 0 H GLY A 15 20.183 -7.035 -20.230 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.621 -8.470 -21.024 1.00 0.00 H new ATOM 0 HA3 GLY A 15 19.882 -9.527 -21.628 1.00 0.00 H new ATOM 207 N THR A 16 20.287 -10.793 -19.366 1.00 0.00 N ATOM 208 CA THR A 16 20.194 -11.763 -18.288 1.00 0.00 C ATOM 209 C THR A 16 18.813 -12.422 -18.283 1.00 0.00 C ATOM 210 O THR A 16 18.244 -12.671 -17.221 1.00 0.00 O ATOM 211 CB THR A 16 20.531 -11.049 -16.978 1.00 0.00 C ATOM 212 OG1 THR A 16 20.304 -12.036 -15.976 1.00 0.00 O ATOM 213 CG2 THR A 16 19.533 -9.940 -16.642 1.00 0.00 C ATOM 0 H THR A 16 21.144 -10.848 -19.917 1.00 0.00 H new ATOM 0 HA THR A 16 20.908 -12.575 -18.424 1.00 0.00 H new ATOM 0 HB THR A 16 21.534 -10.627 -17.043 1.00 0.00 H new ATOM 0 HG1 THR A 16 19.354 -12.277 -15.964 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.819 -9.466 -15.703 1.00 0.00 H new ATOM 0 HG22 THR A 16 19.533 -9.196 -17.439 1.00 0.00 H new ATOM 0 HG23 THR A 16 18.535 -10.366 -16.544 1.00 0.00 H new ATOM 221 N ILE A 17 18.314 -12.687 -19.481 1.00 0.00 N ATOM 222 CA ILE A 17 17.010 -13.312 -19.628 1.00 0.00 C ATOM 223 C ILE A 17 16.973 -14.601 -18.804 1.00 0.00 C ATOM 224 O ILE A 17 18.006 -15.232 -18.584 1.00 0.00 O ATOM 225 CB ILE A 17 16.678 -13.518 -21.107 1.00 0.00 C ATOM 226 CG1 ILE A 17 15.185 -13.790 -21.301 1.00 0.00 C ATOM 227 CG2 ILE A 17 17.545 -14.621 -21.716 1.00 0.00 C ATOM 228 CD1 ILE A 17 14.762 -13.526 -22.747 1.00 0.00 C ATOM 0 H ILE A 17 18.789 -12.480 -20.360 1.00 0.00 H new ATOM 0 HA ILE A 17 16.228 -12.660 -19.238 1.00 0.00 H new ATOM 0 HB ILE A 17 16.910 -12.596 -21.640 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.963 -14.824 -21.037 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.606 -13.157 -20.628 1.00 0.00 H new ATOM 0 HG21 ILE A 17 17.288 -14.747 -22.768 1.00 0.00 H new ATOM 0 HG22 ILE A 17 18.596 -14.347 -21.629 1.00 0.00 H new ATOM 0 HG23 ILE A 17 17.369 -15.557 -21.185 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.696 -13.727 -22.857 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.963 -12.485 -23.001 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.325 -14.177 -23.415 1.00 0.00 H new ATOM 240 N LYS A 18 15.771 -14.955 -18.372 1.00 0.00 N ATOM 241 CA LYS A 18 15.585 -16.157 -17.578 1.00 0.00 C ATOM 242 C LYS A 18 16.051 -17.372 -18.383 1.00 0.00 C ATOM 243 O LYS A 18 15.467 -17.699 -19.414 1.00 0.00 O ATOM 244 CB LYS A 18 14.138 -16.260 -17.091 1.00 0.00 C ATOM 245 CG LYS A 18 13.166 -16.319 -18.271 1.00 0.00 C ATOM 246 CD LYS A 18 12.068 -15.263 -18.131 1.00 0.00 C ATOM 247 CE LYS A 18 10.860 -15.610 -19.003 1.00 0.00 C ATOM 248 NZ LYS A 18 10.243 -14.379 -19.547 1.00 0.00 N ATOM 0 H LYS A 18 14.916 -14.430 -18.557 1.00 0.00 H new ATOM 0 HA LYS A 18 16.197 -16.117 -16.677 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.021 -17.151 -16.474 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.900 -15.402 -16.462 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.710 -16.162 -19.203 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.717 -17.311 -18.327 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.759 -15.190 -17.088 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.459 -14.286 -18.417 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.169 -16.261 -19.821 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.127 -16.163 -18.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.425 -14.632 -20.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.930 -13.772 -18.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.940 -13.867 -20.124 1.00 0.00 H new ATOM 262 N HIS A 19 17.100 -18.008 -17.881 1.00 0.00 N ATOM 263 CA HIS A 19 17.651 -19.179 -18.540 1.00 0.00 C ATOM 264 C HIS A 19 18.697 -19.833 -17.635 1.00 0.00 C ATOM 265 O HIS A 19 19.897 -19.688 -17.862 1.00 0.00 O ATOM 266 CB HIS A 19 18.204 -18.816 -19.920 1.00 0.00 C ATOM 267 CG HIS A 19 18.476 -20.008 -20.805 1.00 0.00 C ATOM 268 ND1 HIS A 19 19.699 -20.225 -21.417 1.00 0.00 N ATOM 269 CD2 HIS A 19 17.671 -21.046 -21.176 1.00 0.00 C ATOM 270 CE1 HIS A 19 19.622 -21.344 -22.121 1.00 0.00 C ATOM 271 NE2 HIS A 19 18.364 -21.851 -21.971 1.00 0.00 N ATOM 0 H HIS A 19 17.583 -17.734 -17.025 1.00 0.00 H new ATOM 0 HA HIS A 19 16.861 -19.910 -18.710 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.495 -18.158 -20.422 1.00 0.00 H new ATOM 0 HB3 HIS A 19 19.128 -18.252 -19.793 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.644 -21.188 -20.874 1.00 0.00 H new ATOM 0 HE1 HIS A 19 20.416 -21.779 -22.710 1.00 0.00 H new ATOM 0 HE2 HIS A 19 18.014 -22.708 -22.400 1.00 0.00 H new ATOM 279 N GLY A 20 18.203 -20.539 -16.628 1.00 0.00 N ATOM 280 CA GLY A 20 19.080 -21.216 -15.688 1.00 0.00 C ATOM 281 C GLY A 20 18.452 -22.520 -15.194 1.00 0.00 C ATOM 282 O GLY A 20 17.710 -23.173 -15.927 1.00 0.00 O ATOM 0 H GLY A 20 17.207 -20.657 -16.443 1.00 0.00 H new ATOM 0 HA2 GLY A 20 20.037 -21.427 -16.165 1.00 0.00 H new ATOM 0 HA3 GLY A 20 19.284 -20.562 -14.840 1.00 0.00 H new ATOM 286 N SER A 21 18.773 -22.862 -13.954 1.00 0.00 N ATOM 287 CA SER A 21 18.249 -24.077 -13.354 1.00 0.00 C ATOM 288 C SER A 21 16.720 -24.054 -13.375 1.00 0.00 C ATOM 289 O SER A 21 16.108 -23.004 -13.182 1.00 0.00 O ATOM 290 CB SER A 21 18.758 -24.247 -11.921 1.00 0.00 C ATOM 291 OG SER A 21 20.181 -24.309 -11.863 1.00 0.00 O ATOM 0 H SER A 21 19.389 -22.319 -13.349 1.00 0.00 H new ATOM 0 HA SER A 21 18.601 -24.927 -13.939 1.00 0.00 H new ATOM 0 HB2 SER A 21 18.406 -23.415 -11.310 1.00 0.00 H new ATOM 0 HB3 SER A 21 18.338 -25.157 -11.493 1.00 0.00 H new ATOM 0 HG SER A 21 20.526 -23.502 -11.427 1.00 0.00 H new ATOM 297 N ALA A 22 16.145 -25.224 -13.610 1.00 0.00 N ATOM 298 CA ALA A 22 14.698 -25.352 -13.658 1.00 0.00 C ATOM 299 C ALA A 22 14.082 -24.551 -12.510 1.00 0.00 C ATOM 300 O ALA A 22 13.011 -23.965 -12.662 1.00 0.00 O ATOM 301 CB ALA A 22 14.314 -26.832 -13.610 1.00 0.00 C ATOM 0 H ALA A 22 16.655 -26.093 -13.769 1.00 0.00 H new ATOM 0 HA ALA A 22 14.307 -24.945 -14.591 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.229 -26.928 -13.646 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.752 -27.349 -14.463 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.687 -27.275 -12.686 1.00 0.00 H new ATOM 307 N LEU A 23 14.784 -24.552 -11.386 1.00 0.00 N ATOM 308 CA LEU A 23 14.318 -23.833 -10.212 1.00 0.00 C ATOM 309 C LEU A 23 14.668 -22.351 -10.356 1.00 0.00 C ATOM 310 O LEU A 23 13.858 -21.484 -10.028 1.00 0.00 O ATOM 311 CB LEU A 23 14.870 -24.475 -8.937 1.00 0.00 C ATOM 312 CG LEU A 23 14.927 -23.572 -7.703 1.00 0.00 C ATOM 313 CD1 LEU A 23 13.537 -23.041 -7.348 1.00 0.00 C ATOM 314 CD2 LEU A 23 15.581 -24.296 -6.524 1.00 0.00 C ATOM 0 H LEU A 23 15.672 -25.039 -11.263 1.00 0.00 H new ATOM 0 HA LEU A 23 13.233 -23.898 -10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.259 -25.345 -8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 23 15.876 -24.839 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 23 15.551 -22.710 -7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.606 -22.402 -6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.143 -22.464 -8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.871 -23.878 -7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.609 -23.632 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.003 -25.187 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.597 -24.585 -6.793 1.00 0.00 H new ATOM 326 N ASP A 24 15.874 -22.105 -10.846 1.00 0.00 N ATOM 327 CA ASP A 24 16.340 -20.742 -11.037 1.00 0.00 C ATOM 328 C ASP A 24 15.442 -20.038 -12.056 1.00 0.00 C ATOM 329 O ASP A 24 15.394 -18.810 -12.103 1.00 0.00 O ATOM 330 CB ASP A 24 17.772 -20.720 -11.574 1.00 0.00 C ATOM 331 CG ASP A 24 18.865 -20.750 -10.504 1.00 0.00 C ATOM 332 OD1 ASP A 24 18.865 -19.822 -9.667 1.00 0.00 O ATOM 333 OD2 ASP A 24 19.676 -21.700 -10.548 1.00 0.00 O ATOM 0 H ASP A 24 16.543 -22.826 -11.116 1.00 0.00 H new ATOM 0 HA ASP A 24 16.309 -20.237 -10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 24 17.909 -21.575 -12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.903 -19.824 -12.180 1.00 0.00 H new ATOM 338 N VAL A 25 14.752 -20.847 -12.847 1.00 0.00 N ATOM 339 CA VAL A 25 13.858 -20.317 -13.862 1.00 0.00 C ATOM 340 C VAL A 25 12.597 -19.770 -13.190 1.00 0.00 C ATOM 341 O VAL A 25 12.179 -18.646 -13.467 1.00 0.00 O ATOM 342 CB VAL A 25 13.558 -21.393 -14.909 1.00 0.00 C ATOM 343 CG1 VAL A 25 12.532 -20.895 -15.928 1.00 0.00 C ATOM 344 CG2 VAL A 25 14.841 -21.855 -15.602 1.00 0.00 C ATOM 0 H VAL A 25 14.794 -21.865 -12.805 1.00 0.00 H new ATOM 0 HA VAL A 25 14.330 -19.489 -14.391 1.00 0.00 H new ATOM 0 HB VAL A 25 13.128 -22.252 -14.394 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.337 -21.678 -16.660 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.605 -20.638 -15.415 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.922 -20.013 -16.436 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.600 -22.619 -16.341 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.312 -21.007 -16.098 1.00 0.00 H new ATOM 0 HG23 VAL A 25 15.526 -22.269 -14.862 1.00 0.00 H new ATOM 354 N LEU A 26 12.025 -20.589 -12.320 1.00 0.00 N ATOM 355 CA LEU A 26 10.821 -20.201 -11.606 1.00 0.00 C ATOM 356 C LEU A 26 11.116 -18.970 -10.747 1.00 0.00 C ATOM 357 O LEU A 26 10.303 -18.050 -10.675 1.00 0.00 O ATOM 358 CB LEU A 26 10.263 -21.385 -10.813 1.00 0.00 C ATOM 359 CG LEU A 26 9.496 -22.432 -11.621 1.00 0.00 C ATOM 360 CD1 LEU A 26 9.673 -23.828 -11.019 1.00 0.00 C ATOM 361 CD2 LEU A 26 8.020 -22.049 -11.755 1.00 0.00 C ATOM 0 H LEU A 26 12.373 -21.520 -12.093 1.00 0.00 H new ATOM 0 HA LEU A 26 10.036 -19.919 -12.308 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.092 -21.881 -10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.602 -20.998 -10.037 1.00 0.00 H new ATOM 0 HG LEU A 26 9.914 -22.460 -12.627 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.117 -24.554 -11.613 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.730 -24.093 -11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.298 -23.833 -9.996 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.498 -22.811 -12.334 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.572 -21.976 -10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.938 -21.088 -12.262 1.00 0.00 H new ATOM 373 N LEU A 27 12.282 -18.992 -10.119 1.00 0.00 N ATOM 374 CA LEU A 27 12.695 -17.889 -9.268 1.00 0.00 C ATOM 375 C LEU A 27 12.819 -16.619 -10.112 1.00 0.00 C ATOM 376 O LEU A 27 12.639 -15.512 -9.605 1.00 0.00 O ATOM 377 CB LEU A 27 13.972 -18.248 -8.506 1.00 0.00 C ATOM 378 CG LEU A 27 13.861 -19.416 -7.524 1.00 0.00 C ATOM 379 CD1 LEU A 27 15.220 -20.087 -7.314 1.00 0.00 C ATOM 380 CD2 LEU A 27 13.236 -18.963 -6.203 1.00 0.00 C ATOM 0 H LEU A 27 12.954 -19.757 -10.182 1.00 0.00 H new ATOM 0 HA LEU A 27 11.941 -17.694 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.751 -18.482 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.303 -17.367 -7.956 1.00 0.00 H new ATOM 0 HG LEU A 27 13.196 -20.164 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.113 -20.914 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.590 -20.466 -8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.927 -19.360 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.168 -19.812 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.856 -18.187 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.238 -18.567 -6.390 1.00 0.00 H new ATOM 392 N SER A 28 13.125 -16.820 -11.385 1.00 0.00 N ATOM 393 CA SER A 28 13.274 -15.704 -12.304 1.00 0.00 C ATOM 394 C SER A 28 11.900 -15.234 -12.785 1.00 0.00 C ATOM 395 O SER A 28 11.790 -14.206 -13.452 1.00 0.00 O ATOM 396 CB SER A 28 14.152 -16.088 -13.497 1.00 0.00 C ATOM 397 OG SER A 28 14.924 -14.986 -13.967 1.00 0.00 O ATOM 0 H SER A 28 13.274 -17.739 -11.802 1.00 0.00 H new ATOM 0 HA SER A 28 13.764 -14.887 -11.774 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.818 -16.902 -13.210 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.523 -16.461 -14.305 1.00 0.00 H new ATOM 0 HG SER A 28 15.472 -15.271 -14.728 1.00 0.00 H new ATOM 403 N MET A 29 10.887 -16.010 -12.429 1.00 0.00 N ATOM 404 CA MET A 29 9.524 -15.686 -12.816 1.00 0.00 C ATOM 405 C MET A 29 8.802 -14.930 -11.699 1.00 0.00 C ATOM 406 O MET A 29 7.663 -14.498 -11.872 1.00 0.00 O ATOM 407 CB MET A 29 8.764 -16.975 -13.135 1.00 0.00 C ATOM 408 CG MET A 29 8.860 -17.314 -14.624 1.00 0.00 C ATOM 409 SD MET A 29 7.327 -18.033 -15.186 1.00 0.00 S ATOM 410 CE MET A 29 7.620 -19.746 -14.780 1.00 0.00 C ATOM 0 H MET A 29 10.982 -16.862 -11.877 1.00 0.00 H new ATOM 0 HA MET A 29 9.559 -15.047 -13.698 1.00 0.00 H new ATOM 0 HB2 MET A 29 9.170 -17.796 -12.544 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.718 -16.864 -12.850 1.00 0.00 H new ATOM 0 HG2 MET A 29 9.080 -16.413 -15.197 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.682 -18.010 -14.795 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.083 -20.383 -15.483 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.688 -19.957 -14.841 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.268 -19.945 -13.768 1.00 0.00 H new ATOM 420 N GLY A 30 9.494 -14.792 -10.577 1.00 0.00 N ATOM 421 CA GLY A 30 8.933 -14.096 -9.432 1.00 0.00 C ATOM 422 C GLY A 30 8.267 -15.078 -8.466 1.00 0.00 C ATOM 423 O GLY A 30 7.248 -14.758 -7.855 1.00 0.00 O ATOM 0 H GLY A 30 10.439 -15.151 -10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.720 -13.548 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.202 -13.361 -9.771 1.00 0.00 H new ATOM 427 N PHE A 31 8.870 -16.252 -8.357 1.00 0.00 N ATOM 428 CA PHE A 31 8.348 -17.283 -7.475 1.00 0.00 C ATOM 429 C PHE A 31 9.378 -17.666 -6.410 1.00 0.00 C ATOM 430 O PHE A 31 10.579 -17.669 -6.676 1.00 0.00 O ATOM 431 CB PHE A 31 8.051 -18.506 -8.344 1.00 0.00 C ATOM 432 CG PHE A 31 6.652 -18.505 -8.964 1.00 0.00 C ATOM 433 CD1 PHE A 31 5.554 -18.471 -8.163 1.00 0.00 C ATOM 434 CD2 PHE A 31 6.507 -18.536 -10.316 1.00 0.00 C ATOM 435 CE1 PHE A 31 4.255 -18.469 -8.738 1.00 0.00 C ATOM 436 CE2 PHE A 31 5.209 -18.535 -10.891 1.00 0.00 C ATOM 437 CZ PHE A 31 4.111 -18.501 -10.090 1.00 0.00 C ATOM 0 H PHE A 31 9.715 -16.513 -8.865 1.00 0.00 H new ATOM 0 HA PHE A 31 7.456 -16.920 -6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.791 -18.560 -9.143 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.169 -19.405 -7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.669 -18.446 -7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.379 -18.561 -10.952 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.383 -18.442 -8.102 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.094 -18.561 -11.965 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.124 -18.499 -10.528 1.00 0.00 H new ATOM 447 N PRO A 32 8.857 -17.987 -5.196 1.00 0.00 N ATOM 448 CA PRO A 32 9.717 -18.371 -4.090 1.00 0.00 C ATOM 449 C PRO A 32 10.249 -19.794 -4.277 1.00 0.00 C ATOM 450 O PRO A 32 9.512 -20.686 -4.693 1.00 0.00 O ATOM 451 CB PRO A 32 8.854 -18.219 -2.848 1.00 0.00 C ATOM 452 CG PRO A 32 7.415 -18.204 -3.340 1.00 0.00 C ATOM 453 CD PRO A 32 7.439 -17.994 -4.845 1.00 0.00 C ATOM 0 HA PRO A 32 10.610 -17.750 -4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.021 -19.042 -2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.094 -17.299 -2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.918 -19.142 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.853 -17.407 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.906 -18.791 -5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.958 -17.056 -5.122 1.00 0.00 H new ATOM 461 N ARG A 33 11.525 -19.960 -3.961 1.00 0.00 N ATOM 462 CA ARG A 33 12.164 -21.259 -4.089 1.00 0.00 C ATOM 463 C ARG A 33 11.223 -22.364 -3.605 1.00 0.00 C ATOM 464 O ARG A 33 11.076 -23.392 -4.264 1.00 0.00 O ATOM 465 CB ARG A 33 13.463 -21.316 -3.283 1.00 0.00 C ATOM 466 CG ARG A 33 14.394 -22.405 -3.819 1.00 0.00 C ATOM 467 CD ARG A 33 15.764 -22.338 -3.141 1.00 0.00 C ATOM 468 NE ARG A 33 16.567 -23.527 -3.504 1.00 0.00 N ATOM 469 CZ ARG A 33 17.858 -23.687 -3.184 1.00 0.00 C ATOM 470 NH1 ARG A 33 18.501 -22.736 -2.493 1.00 0.00 N ATOM 471 NH2 ARG A 33 18.508 -24.799 -3.556 1.00 0.00 N ATOM 0 H ARG A 33 12.133 -19.217 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 33 12.397 -21.411 -5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.965 -20.349 -3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.236 -21.510 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.948 -23.385 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.512 -22.290 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.285 -21.430 -3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.641 -22.288 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 33 16.109 -24.271 -4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.008 -21.889 -2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.484 -22.859 -2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.020 -25.523 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 33 19.491 -24.921 -3.312 1.00 0.00 H new ATOM 485 N ALA A 34 10.610 -22.114 -2.457 1.00 0.00 N ATOM 486 CA ALA A 34 9.687 -23.075 -1.877 1.00 0.00 C ATOM 487 C ALA A 34 8.659 -23.489 -2.932 1.00 0.00 C ATOM 488 O ALA A 34 8.553 -24.667 -3.272 1.00 0.00 O ATOM 489 CB ALA A 34 9.034 -22.469 -0.633 1.00 0.00 C ATOM 0 H ALA A 34 10.734 -21.260 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 34 10.217 -23.974 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.342 -23.190 -0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.804 -22.219 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.491 -21.566 -0.911 1.00 0.00 H new ATOM 495 N ARG A 35 7.928 -22.498 -3.421 1.00 0.00 N ATOM 496 CA ARG A 35 6.912 -22.745 -4.430 1.00 0.00 C ATOM 497 C ARG A 35 7.495 -23.571 -5.579 1.00 0.00 C ATOM 498 O ARG A 35 6.957 -24.621 -5.928 1.00 0.00 O ATOM 499 CB ARG A 35 6.357 -21.432 -4.986 1.00 0.00 C ATOM 500 CG ARG A 35 4.842 -21.351 -4.792 1.00 0.00 C ATOM 501 CD ARG A 35 4.492 -20.549 -3.537 1.00 0.00 C ATOM 502 NE ARG A 35 3.022 -20.478 -3.376 1.00 0.00 N ATOM 503 CZ ARG A 35 2.275 -21.462 -2.858 1.00 0.00 C ATOM 504 NH1 ARG A 35 2.854 -22.599 -2.449 1.00 0.00 N ATOM 505 NH2 ARG A 35 0.948 -21.310 -2.750 1.00 0.00 N ATOM 0 H ARG A 35 8.019 -21.523 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 35 6.101 -23.297 -3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.837 -20.590 -4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.596 -21.352 -6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.384 -20.885 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.428 -22.356 -4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.940 -21.016 -2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.907 -19.544 -3.610 1.00 0.00 H new ATOM 0 HE ARG A 35 2.548 -19.627 -3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.864 -22.716 -2.532 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.285 -23.348 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.507 -20.445 -3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.379 -22.059 -2.356 1.00 0.00 H new ATOM 519 N ALA A 36 8.586 -23.066 -6.134 1.00 0.00 N ATOM 520 CA ALA A 36 9.248 -23.745 -7.236 1.00 0.00 C ATOM 521 C ALA A 36 9.614 -25.167 -6.808 1.00 0.00 C ATOM 522 O ALA A 36 9.507 -26.104 -7.598 1.00 0.00 O ATOM 523 CB ALA A 36 10.470 -22.935 -7.674 1.00 0.00 C ATOM 0 H ALA A 36 9.029 -22.195 -5.842 1.00 0.00 H new ATOM 0 HA ALA A 36 8.582 -23.821 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.967 -23.444 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.153 -21.943 -7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.162 -22.840 -6.838 1.00 0.00 H new ATOM 529 N GLN A 37 10.037 -25.284 -5.558 1.00 0.00 N ATOM 530 CA GLN A 37 10.419 -26.577 -5.015 1.00 0.00 C ATOM 531 C GLN A 37 9.196 -27.489 -4.905 1.00 0.00 C ATOM 532 O GLN A 37 9.165 -28.566 -5.499 1.00 0.00 O ATOM 533 CB GLN A 37 11.109 -26.419 -3.659 1.00 0.00 C ATOM 534 CG GLN A 37 12.591 -26.080 -3.833 1.00 0.00 C ATOM 535 CD GLN A 37 13.471 -27.296 -3.533 1.00 0.00 C ATOM 536 OE1 GLN A 37 13.913 -28.009 -4.420 1.00 0.00 O ATOM 537 NE2 GLN A 37 13.699 -27.492 -2.238 1.00 0.00 N ATOM 0 H GLN A 37 10.124 -24.505 -4.905 1.00 0.00 H new ATOM 0 HA GLN A 37 11.132 -27.040 -5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.617 -25.633 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.008 -27.341 -3.086 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.772 -25.738 -4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.860 -25.259 -3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.298 -26.857 -1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.275 -28.278 -1.935 1.00 0.00 H new ATOM 546 N LYS A 38 8.218 -27.024 -4.141 1.00 0.00 N ATOM 547 CA LYS A 38 6.995 -27.785 -3.946 1.00 0.00 C ATOM 548 C LYS A 38 6.499 -28.301 -5.298 1.00 0.00 C ATOM 549 O LYS A 38 6.131 -29.468 -5.425 1.00 0.00 O ATOM 550 CB LYS A 38 5.960 -26.951 -3.189 1.00 0.00 C ATOM 551 CG LYS A 38 5.091 -27.836 -2.293 1.00 0.00 C ATOM 552 CD LYS A 38 5.829 -28.204 -1.004 1.00 0.00 C ATOM 553 CE LYS A 38 4.960 -27.925 0.224 1.00 0.00 C ATOM 554 NZ LYS A 38 5.766 -27.301 1.298 1.00 0.00 N ATOM 0 H LYS A 38 8.248 -26.130 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 38 7.185 -28.658 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.466 -26.200 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.329 -26.416 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.165 -27.315 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.815 -28.744 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.105 -29.258 -1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.755 -27.634 -0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.135 -27.267 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.520 -28.855 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.161 -27.118 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.538 -27.942 1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.165 -26.404 0.956 1.00 0.00 H new ATOM 568 N ALA A 39 6.506 -27.406 -6.276 1.00 0.00 N ATOM 569 CA ALA A 39 6.061 -27.756 -7.614 1.00 0.00 C ATOM 570 C ALA A 39 7.036 -28.766 -8.223 1.00 0.00 C ATOM 571 O ALA A 39 6.644 -29.877 -8.576 1.00 0.00 O ATOM 572 CB ALA A 39 5.933 -26.486 -8.458 1.00 0.00 C ATOM 0 H ALA A 39 6.813 -26.439 -6.168 1.00 0.00 H new ATOM 0 HA ALA A 39 5.078 -28.226 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.599 -26.748 -9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.207 -25.815 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.901 -25.989 -8.516 1.00 0.00 H new ATOM 578 N LEU A 40 8.287 -28.343 -8.327 1.00 0.00 N ATOM 579 CA LEU A 40 9.321 -29.196 -8.887 1.00 0.00 C ATOM 580 C LEU A 40 9.155 -30.616 -8.342 1.00 0.00 C ATOM 581 O LEU A 40 8.957 -31.559 -9.106 1.00 0.00 O ATOM 582 CB LEU A 40 10.706 -28.598 -8.632 1.00 0.00 C ATOM 583 CG LEU A 40 11.104 -27.423 -9.528 1.00 0.00 C ATOM 584 CD1 LEU A 40 12.131 -26.527 -8.833 1.00 0.00 C ATOM 585 CD2 LEU A 40 11.600 -27.914 -10.889 1.00 0.00 C ATOM 0 H LEU A 40 8.608 -27.421 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 40 9.220 -29.256 -9.971 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.753 -28.270 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.448 -29.387 -8.750 1.00 0.00 H new ATOM 0 HG LEU A 40 10.217 -26.816 -9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.397 -25.700 -9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.705 -26.134 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.024 -27.108 -8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.876 -27.059 -11.506 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.469 -28.556 -10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.808 -28.477 -11.383 1.00 0.00 H new ATOM 597 N ALA A 41 9.242 -30.724 -7.024 1.00 0.00 N ATOM 598 CA ALA A 41 9.104 -32.013 -6.368 1.00 0.00 C ATOM 599 C ALA A 41 7.848 -32.714 -6.889 1.00 0.00 C ATOM 600 O ALA A 41 7.926 -33.823 -7.416 1.00 0.00 O ATOM 601 CB ALA A 41 9.073 -31.813 -4.851 1.00 0.00 C ATOM 0 H ALA A 41 9.406 -29.940 -6.393 1.00 0.00 H new ATOM 0 HA ALA A 41 9.957 -32.653 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.969 -32.780 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.999 -31.338 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.228 -31.178 -4.585 1.00 0.00 H new ATOM 607 N SER A 42 6.721 -32.038 -6.725 1.00 0.00 N ATOM 608 CA SER A 42 5.450 -32.583 -7.173 1.00 0.00 C ATOM 609 C SER A 42 5.607 -33.203 -8.562 1.00 0.00 C ATOM 610 O SER A 42 5.251 -34.361 -8.773 1.00 0.00 O ATOM 611 CB SER A 42 4.365 -31.504 -7.192 1.00 0.00 C ATOM 612 OG SER A 42 4.124 -30.965 -5.895 1.00 0.00 O ATOM 0 H SER A 42 6.661 -31.118 -6.288 1.00 0.00 H new ATOM 0 HA SER A 42 5.142 -33.357 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.663 -30.702 -7.868 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.441 -31.926 -7.586 1.00 0.00 H new ATOM 0 HG SER A 42 3.626 -30.125 -5.977 1.00 0.00 H new ATOM 618 N THR A 43 6.141 -32.404 -9.475 1.00 0.00 N ATOM 619 CA THR A 43 6.349 -32.861 -10.839 1.00 0.00 C ATOM 620 C THR A 43 7.795 -33.322 -11.032 1.00 0.00 C ATOM 621 O THR A 43 8.350 -33.198 -12.122 1.00 0.00 O ATOM 622 CB THR A 43 5.942 -31.728 -11.784 1.00 0.00 C ATOM 623 OG1 THR A 43 6.559 -30.571 -11.226 1.00 0.00 O ATOM 624 CG2 THR A 43 4.445 -31.420 -11.717 1.00 0.00 C ATOM 0 H THR A 43 6.436 -31.444 -9.297 1.00 0.00 H new ATOM 0 HA THR A 43 5.731 -33.730 -11.064 1.00 0.00 H new ATOM 0 HB THR A 43 6.213 -31.993 -12.806 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.871 -29.912 -10.996 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.209 -30.609 -12.406 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.878 -32.309 -11.994 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.180 -31.122 -10.702 1.00 0.00 H new ATOM 632 N GLY A 44 8.364 -33.845 -9.955 1.00 0.00 N ATOM 633 CA GLY A 44 9.735 -34.325 -9.992 1.00 0.00 C ATOM 634 C GLY A 44 10.718 -33.167 -10.171 1.00 0.00 C ATOM 635 O GLY A 44 11.485 -32.853 -9.263 1.00 0.00 O ATOM 0 H GLY A 44 7.901 -33.947 -9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.962 -34.859 -9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.853 -35.036 -10.810 1.00 0.00 H new ATOM 639 N GLY A 45 10.662 -32.562 -11.349 1.00 0.00 N ATOM 640 CA GLY A 45 11.538 -31.445 -11.659 1.00 0.00 C ATOM 641 C GLY A 45 12.182 -31.619 -13.036 1.00 0.00 C ATOM 642 O GLY A 45 13.406 -31.645 -13.154 1.00 0.00 O ATOM 0 H GLY A 45 10.024 -32.824 -12.100 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.970 -30.515 -11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.314 -31.365 -10.898 1.00 0.00 H new ATOM 646 N ARG A 46 11.328 -31.732 -14.043 1.00 0.00 N ATOM 647 CA ARG A 46 11.799 -31.903 -15.407 1.00 0.00 C ATOM 648 C ARG A 46 11.580 -30.618 -16.209 1.00 0.00 C ATOM 649 O ARG A 46 12.479 -30.160 -16.912 1.00 0.00 O ATOM 650 CB ARG A 46 11.072 -33.058 -16.100 1.00 0.00 C ATOM 651 CG ARG A 46 11.571 -34.408 -15.582 1.00 0.00 C ATOM 652 CD ARG A 46 11.120 -35.547 -16.499 1.00 0.00 C ATOM 653 NE ARG A 46 12.299 -36.202 -17.110 1.00 0.00 N ATOM 654 CZ ARG A 46 13.197 -36.922 -16.424 1.00 0.00 C ATOM 655 NH1 ARG A 46 13.057 -37.085 -15.101 1.00 0.00 N ATOM 656 NH2 ARG A 46 14.236 -37.480 -17.061 1.00 0.00 N ATOM 0 H ARG A 46 10.313 -31.708 -13.942 1.00 0.00 H new ATOM 0 HA ARG A 46 12.864 -32.132 -15.364 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.999 -32.972 -15.928 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.228 -32.997 -17.177 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.659 -34.397 -15.517 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.193 -34.577 -14.574 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.543 -36.276 -15.930 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.464 -35.159 -17.279 1.00 0.00 H new ATOM 0 HE ARG A 46 12.436 -36.099 -18.115 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.266 -36.661 -14.616 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.741 -37.633 -14.579 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.343 -37.356 -18.068 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.920 -38.028 -16.539 1.00 0.00 H new ATOM 670 N SER A 47 10.380 -30.072 -16.075 1.00 0.00 N ATOM 671 CA SER A 47 10.032 -28.849 -16.778 1.00 0.00 C ATOM 672 C SER A 47 9.352 -27.869 -15.818 1.00 0.00 C ATOM 673 O SER A 47 8.727 -28.283 -14.843 1.00 0.00 O ATOM 674 CB SER A 47 9.121 -29.140 -17.972 1.00 0.00 C ATOM 675 OG SER A 47 8.868 -27.972 -18.748 1.00 0.00 O ATOM 0 H SER A 47 9.637 -30.454 -15.490 1.00 0.00 H new ATOM 0 HA SER A 47 10.950 -28.399 -17.157 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.581 -29.901 -18.602 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.176 -29.550 -17.616 1.00 0.00 H new ATOM 0 HG SER A 47 8.284 -28.200 -19.501 1.00 0.00 H new ATOM 681 N VAL A 48 9.498 -26.590 -16.129 1.00 0.00 N ATOM 682 CA VAL A 48 8.906 -25.548 -15.306 1.00 0.00 C ATOM 683 C VAL A 48 7.464 -25.308 -15.755 1.00 0.00 C ATOM 684 O VAL A 48 6.634 -24.851 -14.971 1.00 0.00 O ATOM 685 CB VAL A 48 9.768 -24.285 -15.361 1.00 0.00 C ATOM 686 CG1 VAL A 48 11.063 -24.469 -14.567 1.00 0.00 C ATOM 687 CG2 VAL A 48 10.065 -23.887 -16.808 1.00 0.00 C ATOM 0 H VAL A 48 10.017 -26.251 -16.939 1.00 0.00 H new ATOM 0 HA VAL A 48 8.874 -25.858 -14.261 1.00 0.00 H new ATOM 0 HB VAL A 48 9.204 -23.475 -14.899 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.657 -23.557 -14.623 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.824 -24.683 -13.525 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.632 -25.299 -14.986 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.679 -22.986 -16.819 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.599 -24.696 -17.306 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.129 -23.694 -17.332 1.00 0.00 H new ATOM 697 N GLN A 49 7.209 -25.627 -17.016 1.00 0.00 N ATOM 698 CA GLN A 49 5.881 -25.451 -17.579 1.00 0.00 C ATOM 699 C GLN A 49 4.886 -26.391 -16.894 1.00 0.00 C ATOM 700 O GLN A 49 3.802 -25.969 -16.496 1.00 0.00 O ATOM 701 CB GLN A 49 5.893 -25.673 -19.092 1.00 0.00 C ATOM 702 CG GLN A 49 5.907 -24.340 -19.842 1.00 0.00 C ATOM 703 CD GLN A 49 6.910 -24.370 -20.997 1.00 0.00 C ATOM 704 OE1 GLN A 49 7.155 -25.395 -21.614 1.00 0.00 O ATOM 705 NE2 GLN A 49 7.474 -23.194 -21.255 1.00 0.00 N ATOM 0 H GLN A 49 7.900 -26.006 -17.664 1.00 0.00 H new ATOM 0 HA GLN A 49 5.564 -24.424 -17.399 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.768 -26.260 -19.370 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.016 -26.250 -19.385 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.910 -24.125 -20.227 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.164 -23.534 -19.154 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.224 -22.376 -20.700 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.157 -23.110 -22.008 1.00 0.00 H new ATOM 714 N THR A 50 5.291 -27.647 -16.780 1.00 0.00 N ATOM 715 CA THR A 50 4.448 -28.650 -16.151 1.00 0.00 C ATOM 716 C THR A 50 4.264 -28.336 -14.665 1.00 0.00 C ATOM 717 O THR A 50 3.191 -28.563 -14.107 1.00 0.00 O ATOM 718 CB THR A 50 5.074 -30.022 -16.409 1.00 0.00 C ATOM 719 OG1 THR A 50 4.621 -30.370 -17.715 1.00 0.00 O ATOM 720 CG2 THR A 50 4.487 -31.112 -15.509 1.00 0.00 C ATOM 0 H THR A 50 6.191 -27.993 -17.112 1.00 0.00 H new ATOM 0 HA THR A 50 3.445 -28.648 -16.578 1.00 0.00 H new ATOM 0 HB THR A 50 6.151 -29.964 -16.254 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.982 -31.247 -17.964 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.966 -32.065 -15.733 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.662 -30.855 -14.464 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.415 -31.193 -15.688 1.00 0.00 H new ATOM 728 N ALA A 51 5.327 -27.819 -14.066 1.00 0.00 N ATOM 729 CA ALA A 51 5.296 -27.472 -12.655 1.00 0.00 C ATOM 730 C ALA A 51 4.388 -26.257 -12.453 1.00 0.00 C ATOM 731 O ALA A 51 3.583 -26.227 -11.523 1.00 0.00 O ATOM 732 CB ALA A 51 6.722 -27.222 -12.160 1.00 0.00 C ATOM 0 H ALA A 51 6.215 -27.632 -14.532 1.00 0.00 H new ATOM 0 HA ALA A 51 4.885 -28.292 -12.067 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.699 -26.962 -11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.319 -28.123 -12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.165 -26.403 -12.726 1.00 0.00 H new ATOM 738 N CYS A 52 4.547 -25.286 -13.340 1.00 0.00 N ATOM 739 CA CYS A 52 3.751 -24.072 -13.270 1.00 0.00 C ATOM 740 C CYS A 52 2.277 -24.469 -13.169 1.00 0.00 C ATOM 741 O CYS A 52 1.537 -23.920 -12.355 1.00 0.00 O ATOM 742 CB CYS A 52 4.014 -23.154 -14.466 1.00 0.00 C ATOM 743 SG CYS A 52 5.138 -21.795 -13.977 1.00 0.00 S ATOM 0 H CYS A 52 5.215 -25.315 -14.111 1.00 0.00 H new ATOM 0 HA CYS A 52 4.033 -23.499 -12.387 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.455 -23.725 -15.283 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.073 -22.744 -14.834 1.00 0.00 H new ATOM 0 HG CYS A 52 6.371 -22.194 -14.077 1.00 0.00 H new ATOM 749 N ASP A 53 1.894 -25.421 -14.008 1.00 0.00 N ATOM 750 CA ASP A 53 0.522 -25.898 -14.023 1.00 0.00 C ATOM 751 C ASP A 53 0.143 -26.392 -12.626 1.00 0.00 C ATOM 752 O ASP A 53 -0.938 -26.083 -12.127 1.00 0.00 O ATOM 753 CB ASP A 53 0.355 -27.065 -14.999 1.00 0.00 C ATOM 754 CG ASP A 53 -0.993 -27.117 -15.720 1.00 0.00 C ATOM 755 OD1 ASP A 53 -1.954 -26.540 -15.168 1.00 0.00 O ATOM 756 OD2 ASP A 53 -1.031 -27.733 -16.807 1.00 0.00 O ATOM 0 H ASP A 53 2.511 -25.875 -14.682 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.118 -25.073 -14.335 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.147 -27.011 -15.745 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.494 -27.998 -14.453 1.00 0.00 H new ATOM 761 N TRP A 54 1.054 -27.151 -12.034 1.00 0.00 N ATOM 762 CA TRP A 54 0.829 -27.690 -10.704 1.00 0.00 C ATOM 763 C TRP A 54 0.615 -26.516 -9.747 1.00 0.00 C ATOM 764 O TRP A 54 -0.406 -26.443 -9.066 1.00 0.00 O ATOM 765 CB TRP A 54 1.980 -28.605 -10.281 1.00 0.00 C ATOM 766 CG TRP A 54 1.799 -29.235 -8.899 1.00 0.00 C ATOM 767 CD1 TRP A 54 1.261 -30.425 -8.599 1.00 0.00 C ATOM 768 CD2 TRP A 54 2.180 -28.656 -7.633 1.00 0.00 C ATOM 769 NE1 TRP A 54 1.268 -30.655 -7.238 1.00 0.00 N ATOM 770 CE2 TRP A 54 1.844 -29.544 -6.632 1.00 0.00 C ATOM 771 CE3 TRP A 54 2.789 -27.422 -7.344 1.00 0.00 C ATOM 772 CZ2 TRP A 54 2.078 -29.294 -5.275 1.00 0.00 C ATOM 773 CZ3 TRP A 54 3.015 -27.187 -5.982 1.00 0.00 C ATOM 774 CH2 TRP A 54 2.683 -28.071 -4.963 1.00 0.00 C ATOM 0 H TRP A 54 1.949 -27.405 -12.451 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.062 -28.318 -10.688 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.089 -29.399 -11.019 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.907 -28.032 -10.289 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.871 -31.117 -9.330 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.916 -31.487 -6.764 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.061 -26.712 -8.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.806 -30.006 -4.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.480 -26.253 -5.704 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.891 -27.816 -3.934 1.00 0.00 H new ATOM 785 N LEU A 55 1.597 -25.626 -9.726 1.00 0.00 N ATOM 786 CA LEU A 55 1.529 -24.458 -8.863 1.00 0.00 C ATOM 787 C LEU A 55 0.107 -23.894 -8.886 1.00 0.00 C ATOM 788 O LEU A 55 -0.571 -23.870 -7.860 1.00 0.00 O ATOM 789 CB LEU A 55 2.601 -23.440 -9.256 1.00 0.00 C ATOM 790 CG LEU A 55 3.994 -23.670 -8.665 1.00 0.00 C ATOM 791 CD1 LEU A 55 5.077 -23.496 -9.731 1.00 0.00 C ATOM 792 CD2 LEU A 55 4.231 -22.766 -7.453 1.00 0.00 C ATOM 0 H LEU A 55 2.443 -25.690 -10.292 1.00 0.00 H new ATOM 0 HA LEU A 55 1.746 -24.733 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.686 -23.433 -10.343 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.260 -22.449 -8.956 1.00 0.00 H new ATOM 0 HG LEU A 55 4.051 -24.700 -8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.057 -23.665 -9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.915 -24.215 -10.535 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.031 -22.484 -10.134 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.228 -22.949 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.148 -21.722 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.486 -22.982 -6.687 1.00 0.00 H new ATOM 804 N PHE A 56 -0.302 -23.455 -10.067 1.00 0.00 N ATOM 805 CA PHE A 56 -1.631 -22.893 -10.236 1.00 0.00 C ATOM 806 C PHE A 56 -2.710 -23.925 -9.901 1.00 0.00 C ATOM 807 O PHE A 56 -3.565 -23.680 -9.052 1.00 0.00 O ATOM 808 CB PHE A 56 -1.763 -22.494 -11.707 1.00 0.00 C ATOM 809 CG PHE A 56 -0.604 -21.641 -12.228 1.00 0.00 C ATOM 810 CD1 PHE A 56 -0.177 -20.566 -11.513 1.00 0.00 C ATOM 811 CD2 PHE A 56 -0.002 -21.958 -13.405 1.00 0.00 C ATOM 812 CE1 PHE A 56 0.899 -19.775 -11.996 1.00 0.00 C ATOM 813 CE2 PHE A 56 1.074 -21.167 -13.888 1.00 0.00 C ATOM 814 CZ PHE A 56 1.501 -20.092 -13.173 1.00 0.00 C ATOM 0 H PHE A 56 0.263 -23.477 -10.916 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.762 -22.041 -9.569 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.836 -23.397 -12.312 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.694 -21.944 -11.841 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.656 -20.314 -10.578 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.342 -22.811 -13.973 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.239 -18.922 -11.428 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.553 -21.419 -14.823 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.319 -19.490 -13.540 1.00 0.00 H new ATOM 824 N SER A 57 -2.634 -25.056 -10.586 1.00 0.00 N ATOM 825 CA SER A 57 -3.594 -26.126 -10.372 1.00 0.00 C ATOM 826 C SER A 57 -3.622 -26.515 -8.892 1.00 0.00 C ATOM 827 O SER A 57 -2.725 -27.205 -8.411 1.00 0.00 O ATOM 828 CB SER A 57 -3.261 -27.345 -11.235 1.00 0.00 C ATOM 829 OG SER A 57 -3.541 -27.116 -12.613 1.00 0.00 O ATOM 0 H SER A 57 -1.923 -25.255 -11.290 1.00 0.00 H new ATOM 0 HA SER A 57 -4.580 -25.765 -10.665 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.207 -27.596 -11.116 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.835 -28.204 -10.886 1.00 0.00 H new ATOM 0 HG SER A 57 -2.748 -26.740 -13.050 1.00 0.00 H new ATOM 835 N HIS A 58 -4.662 -26.055 -8.212 1.00 0.00 N ATOM 836 CA HIS A 58 -4.818 -26.347 -6.797 1.00 0.00 C ATOM 837 C HIS A 58 -5.595 -27.653 -6.625 1.00 0.00 C ATOM 838 O HIS A 58 -6.790 -27.712 -6.912 1.00 0.00 O ATOM 839 CB HIS A 58 -5.470 -25.169 -6.069 1.00 0.00 C ATOM 840 CG HIS A 58 -4.483 -24.199 -5.465 1.00 0.00 C ATOM 841 ND1 HIS A 58 -4.848 -22.944 -5.009 1.00 0.00 N ATOM 842 CD2 HIS A 58 -3.141 -24.312 -5.247 1.00 0.00 C ATOM 843 CE1 HIS A 58 -3.767 -22.338 -4.540 1.00 0.00 C ATOM 844 NE2 HIS A 58 -2.710 -23.187 -4.689 1.00 0.00 N ATOM 0 H HIS A 58 -5.404 -25.483 -8.614 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.838 -26.485 -6.340 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.110 -24.632 -6.769 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.115 -25.555 -5.279 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.532 -25.171 -5.488 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -3.729 -21.346 -4.115 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -1.747 -22.990 -4.417 1.00 0.00 H new ATOM 852 N SER A 59 -4.886 -28.669 -6.157 1.00 0.00 N ATOM 853 CA SER A 59 -5.494 -29.972 -5.943 1.00 0.00 C ATOM 854 C SER A 59 -6.131 -30.029 -4.554 1.00 0.00 C ATOM 855 O SER A 59 -7.337 -30.237 -4.428 1.00 0.00 O ATOM 856 CB SER A 59 -4.465 -31.093 -6.102 1.00 0.00 C ATOM 857 OG SER A 59 -3.347 -30.918 -5.236 1.00 0.00 O ATOM 0 H SER A 59 -3.895 -28.617 -5.920 1.00 0.00 H new ATOM 0 HA SER A 59 -6.268 -30.117 -6.697 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.939 -32.052 -5.893 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.121 -31.126 -7.136 1.00 0.00 H new ATOM 0 HG SER A 59 -2.714 -31.655 -5.366 1.00 0.00 H new ATOM 863 N GLY A 60 -5.293 -29.843 -3.545 1.00 0.00 N ATOM 864 CA GLY A 60 -5.760 -29.871 -2.169 1.00 0.00 C ATOM 865 C GLY A 60 -5.015 -28.842 -1.316 1.00 0.00 C ATOM 866 O GLY A 60 -4.263 -28.022 -1.841 1.00 0.00 O ATOM 0 H GLY A 60 -4.293 -29.672 -3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.830 -29.666 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.615 -30.868 -1.752 1.00 0.00 H new ATOM 870 N PRO A 61 -5.256 -28.921 0.020 1.00 0.00 N ATOM 871 CA PRO A 61 -4.617 -28.007 0.951 1.00 0.00 C ATOM 872 C PRO A 61 -3.147 -28.375 1.160 1.00 0.00 C ATOM 873 O PRO A 61 -2.264 -27.534 1.002 1.00 0.00 O ATOM 874 CB PRO A 61 -5.440 -28.103 2.225 1.00 0.00 C ATOM 875 CG PRO A 61 -6.222 -29.402 2.119 1.00 0.00 C ATOM 876 CD PRO A 61 -6.141 -29.879 0.678 1.00 0.00 C ATOM 0 HA PRO A 61 -4.595 -26.981 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.798 -28.105 3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.111 -27.250 2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.809 -30.152 2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.260 -29.247 2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.743 -30.892 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.125 -29.895 0.210 1.00 0.00 H new ATOM 884 N SER A 62 -2.930 -29.635 1.511 1.00 0.00 N ATOM 885 CA SER A 62 -1.582 -30.125 1.742 1.00 0.00 C ATOM 886 C SER A 62 -1.366 -31.437 0.986 1.00 0.00 C ATOM 887 O SER A 62 -1.806 -32.495 1.433 1.00 0.00 O ATOM 888 CB SER A 62 -1.317 -30.323 3.236 1.00 0.00 C ATOM 889 OG SER A 62 0.042 -30.062 3.577 1.00 0.00 O ATOM 0 H SER A 62 -3.665 -30.330 1.641 1.00 0.00 H new ATOM 0 HA SER A 62 -0.878 -29.380 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.968 -29.663 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.571 -31.345 3.517 1.00 0.00 H new ATOM 0 HG SER A 62 0.170 -30.198 4.539 1.00 0.00 H new ATOM 895 N SER A 63 -0.687 -31.326 -0.146 1.00 0.00 N ATOM 896 CA SER A 63 -0.407 -32.491 -0.969 1.00 0.00 C ATOM 897 C SER A 63 1.105 -32.706 -1.074 1.00 0.00 C ATOM 898 O SER A 63 1.825 -31.843 -1.573 1.00 0.00 O ATOM 899 CB SER A 63 -1.019 -32.341 -2.363 1.00 0.00 C ATOM 900 OG SER A 63 -0.631 -31.121 -2.988 1.00 0.00 O ATOM 0 H SER A 63 -0.322 -30.447 -0.513 1.00 0.00 H new ATOM 0 HA SER A 63 -0.860 -33.362 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.712 -33.181 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.106 -32.380 -2.288 1.00 0.00 H new ATOM 0 HG SER A 63 0.317 -30.948 -2.808 1.00 0.00 H new ATOM 906 N GLY A 64 1.540 -33.862 -0.594 1.00 0.00 N ATOM 907 CA GLY A 64 2.953 -34.201 -0.628 1.00 0.00 C ATOM 908 C GLY A 64 3.156 -35.659 -1.044 1.00 0.00 C ATOM 909 O GLY A 64 3.545 -36.493 -0.227 1.00 0.00 O ATOM 0 H GLY A 64 0.940 -34.575 -0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.472 -33.544 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.395 -34.034 0.355 1.00 0.00 H new TER 913 GLY A 64