USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 445 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 49 CYS SG : rot 15:sc= -2.33 USER MOD Set 1.2: A 54 GLN : amide:sc= -5.38! C(o=-7.7!,f=-14!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.73) USER MOD Single : A 10 MET CE :methyl -149:sc= -0.229 (180deg=-1.24) USER MOD Single : A 12 MET CE :methyl 162:sc= -0.0358 (180deg=-0.738) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.56 K(o=-1.6,f=-4!) USER MOD Single : A 25 TYR OH : rot 120:sc= -1.3 USER MOD Single : A 29 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.73) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.26) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc=-0.00797 X(o=-0.008,f=-0.12) USER MOD Single : A 39 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.0086) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= -0.055 (180deg=-0.055) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -4.089 -11.950 1.119 1.00 0.00 N ATOM 48 CA ALA A 5 -2.980 -12.146 0.202 1.00 0.00 C ATOM 49 C ALA A 5 -3.199 -11.292 -1.048 1.00 0.00 C ATOM 50 O ALA A 5 -2.255 -11.003 -1.781 1.00 0.00 O ATOM 51 CB ALA A 5 -2.844 -13.635 -0.124 1.00 0.00 C ATOM 0 HA ALA A 5 -2.044 -11.826 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.012 -13.782 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.659 -14.193 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.764 -13.992 -0.586 1.00 0.00 H new ATOM 57 N GLU A 6 -4.451 -10.914 -1.255 1.00 0.00 N ATOM 58 CA GLU A 6 -4.808 -10.099 -2.404 1.00 0.00 C ATOM 59 C GLU A 6 -4.316 -8.664 -2.210 1.00 0.00 C ATOM 60 O GLU A 6 -3.753 -8.067 -3.127 1.00 0.00 O ATOM 61 CB GLU A 6 -6.317 -10.133 -2.653 1.00 0.00 C ATOM 62 CG GLU A 6 -6.754 -8.955 -3.527 1.00 0.00 C ATOM 63 CD GLU A 6 -7.874 -9.369 -4.484 1.00 0.00 C ATOM 64 OE1 GLU A 6 -7.711 -10.430 -5.124 1.00 0.00 O ATOM 65 OE2 GLU A 6 -8.869 -8.615 -4.554 1.00 0.00 O ATOM 0 H GLU A 6 -5.232 -11.157 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.319 -10.514 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.588 -11.071 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.847 -10.101 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.095 -8.135 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.902 -8.585 -4.097 1.00 0.00 H new ATOM 70 N LEU A 7 -4.545 -8.151 -1.010 1.00 0.00 N ATOM 71 CA LEU A 7 -4.132 -6.795 -0.684 1.00 0.00 C ATOM 72 C LEU A 7 -2.607 -6.700 -0.759 1.00 0.00 C ATOM 73 O LEU A 7 -2.066 -5.696 -1.218 1.00 0.00 O ATOM 74 CB LEU A 7 -4.709 -6.370 0.668 1.00 0.00 C ATOM 75 CG LEU A 7 -6.211 -6.593 0.855 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.529 -6.997 2.296 1.00 0.00 C ATOM 77 CD2 LEU A 7 -7.007 -5.363 0.417 1.00 0.00 C ATOM 0 H LEU A 7 -5.011 -8.649 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.532 -6.089 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.181 -6.912 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.498 -5.311 0.814 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.516 -7.419 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.603 -7.150 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.005 -7.922 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.205 -6.208 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.071 -5.548 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.705 -4.503 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.813 -5.160 -0.636 1.00 0.00 H new ATOM 88 N LYS A 8 -1.956 -7.761 -0.302 1.00 0.00 N ATOM 89 CA LYS A 8 -0.504 -7.809 -0.311 1.00 0.00 C ATOM 90 C LYS A 8 -0.007 -7.782 -1.758 1.00 0.00 C ATOM 91 O LYS A 8 0.857 -6.978 -2.106 1.00 0.00 O ATOM 92 CB LYS A 8 -0.003 -9.013 0.489 1.00 0.00 C ATOM 93 CG LYS A 8 1.082 -8.596 1.485 1.00 0.00 C ATOM 94 CD LYS A 8 0.974 -9.402 2.780 1.00 0.00 C ATOM 95 CE LYS A 8 -0.338 -9.100 3.507 1.00 0.00 C ATOM 96 NZ LYS A 8 -1.091 -10.350 3.758 1.00 0.00 N ATOM 0 H LYS A 8 -2.408 -8.593 0.077 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.090 -6.931 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.835 -9.471 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.393 -9.767 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.066 -8.745 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.990 -7.532 1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.032 -10.467 2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.817 -9.167 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.130 -8.598 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.943 -8.418 2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.979 -10.127 4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.306 -10.814 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.518 -10.988 4.346 1.00 0.00 H new ATOM 106 N GLN A 9 -0.574 -8.669 -2.561 1.00 0.00 N ATOM 107 CA GLN A 9 -0.198 -8.758 -3.962 1.00 0.00 C ATOM 108 C GLN A 9 -0.483 -7.432 -4.672 1.00 0.00 C ATOM 109 O GLN A 9 0.323 -6.969 -5.478 1.00 0.00 O ATOM 110 CB GLN A 9 -0.922 -9.915 -4.653 1.00 0.00 C ATOM 111 CG GLN A 9 -0.082 -11.193 -4.602 1.00 0.00 C ATOM 112 CD GLN A 9 0.297 -11.655 -6.011 1.00 0.00 C ATOM 113 OE1 GLN A 9 -0.447 -11.500 -6.964 1.00 0.00 O ATOM 114 NE2 GLN A 9 1.494 -12.232 -6.086 1.00 0.00 N ATOM 0 H GLN A 9 -1.291 -9.333 -2.269 1.00 0.00 H new ATOM 0 HA GLN A 9 0.872 -8.957 -4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.884 -10.088 -4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.129 -9.652 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.821 -11.016 -4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.640 -11.980 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.066 -12.330 -5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.839 -12.576 -6.982 1.00 0.00 H new ATOM 121 N MET A 10 -1.633 -6.859 -4.348 1.00 0.00 N ATOM 122 CA MET A 10 -2.034 -5.596 -4.944 1.00 0.00 C ATOM 123 C MET A 10 -1.140 -4.453 -4.463 1.00 0.00 C ATOM 124 O MET A 10 -0.689 -3.633 -5.261 1.00 0.00 O ATOM 125 CB MET A 10 -3.489 -5.297 -4.576 1.00 0.00 C ATOM 126 CG MET A 10 -4.444 -6.261 -5.282 1.00 0.00 C ATOM 127 SD MET A 10 -5.647 -5.345 -6.230 1.00 0.00 S ATOM 128 CE MET A 10 -6.345 -4.326 -4.941 1.00 0.00 C ATOM 0 H MET A 10 -2.300 -7.246 -3.680 1.00 0.00 H new ATOM 0 HA MET A 10 -1.933 -5.679 -6.026 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.618 -5.377 -3.497 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.734 -4.271 -4.851 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.883 -6.927 -5.938 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.949 -6.888 -4.548 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.392 -4.121 -5.166 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.275 -4.848 -3.987 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.796 -3.386 -4.882 1.00 0.00 H new ATOM 136 N VAL A 11 -0.908 -4.435 -3.158 1.00 0.00 N ATOM 137 CA VAL A 11 -0.075 -3.406 -2.560 1.00 0.00 C ATOM 138 C VAL A 11 1.296 -3.407 -3.239 1.00 0.00 C ATOM 139 O VAL A 11 1.903 -2.353 -3.423 1.00 0.00 O ATOM 140 CB VAL A 11 0.007 -3.613 -1.046 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.285 -2.993 -0.476 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.234 -3.052 -0.348 1.00 0.00 C ATOM 0 H VAL A 11 -1.283 -5.117 -2.498 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.514 -2.421 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 11 0.042 -4.686 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.318 -3.154 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.154 -3.460 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.294 -1.923 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.150 -3.212 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.314 -1.984 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.123 -3.560 -0.722 1.00 0.00 H new ATOM 152 N MET A 12 1.745 -4.602 -3.593 1.00 0.00 N ATOM 153 CA MET A 12 3.033 -4.755 -4.248 1.00 0.00 C ATOM 154 C MET A 12 3.031 -4.086 -5.623 1.00 0.00 C ATOM 155 O MET A 12 4.074 -3.980 -6.267 1.00 0.00 O ATOM 156 CB MET A 12 3.353 -6.243 -4.404 1.00 0.00 C ATOM 157 CG MET A 12 3.877 -6.832 -3.093 1.00 0.00 C ATOM 158 SD MET A 12 4.398 -8.520 -3.347 1.00 0.00 S ATOM 159 CE MET A 12 4.230 -9.150 -1.685 1.00 0.00 C ATOM 0 H MET A 12 1.239 -5.474 -3.438 1.00 0.00 H new ATOM 0 HA MET A 12 3.793 -4.274 -3.632 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.457 -6.780 -4.716 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.096 -6.378 -5.190 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.713 -6.236 -2.725 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.099 -6.794 -2.331 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.202 -10.239 -1.710 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.079 -8.823 -1.084 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.307 -8.773 -1.245 1.00 0.00 H new ATOM 167 N SER A 13 1.849 -3.651 -6.033 1.00 0.00 N ATOM 168 CA SER A 13 1.698 -2.995 -7.321 1.00 0.00 C ATOM 169 C SER A 13 1.789 -1.477 -7.148 1.00 0.00 C ATOM 170 O SER A 13 2.211 -0.769 -8.061 1.00 0.00 O ATOM 171 CB SER A 13 0.371 -3.375 -7.981 1.00 0.00 C ATOM 172 OG SER A 13 0.257 -2.840 -9.297 1.00 0.00 O ATOM 0 H SER A 13 0.986 -3.740 -5.496 1.00 0.00 H new ATOM 0 HA SER A 13 2.505 -3.330 -7.972 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.284 -4.461 -8.022 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.455 -3.012 -7.369 1.00 0.00 H new ATOM 0 HG SER A 13 -0.603 -3.106 -9.685 1.00 0.00 H new ATOM 177 N LEU A 14 1.385 -1.022 -5.971 1.00 0.00 N ATOM 178 CA LEU A 14 1.416 0.398 -5.667 1.00 0.00 C ATOM 179 C LEU A 14 2.817 0.946 -5.948 1.00 0.00 C ATOM 180 O LEU A 14 3.790 0.193 -5.959 1.00 0.00 O ATOM 181 CB LEU A 14 0.931 0.652 -4.238 1.00 0.00 C ATOM 182 CG LEU A 14 -0.565 0.447 -3.991 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.336 1.754 -4.179 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.117 -0.676 -4.872 1.00 0.00 C ATOM 0 H LEU A 14 1.034 -1.612 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 14 0.726 0.940 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.483 -0.005 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.187 1.676 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.701 0.140 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.397 1.580 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.965 2.500 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.197 2.115 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.182 -0.801 -4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.968 -0.422 -5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.595 -1.606 -4.646 1.00 0.00 H new ATOM 195 N ARG A 15 2.874 2.251 -6.167 1.00 0.00 N ATOM 196 CA ARG A 15 4.140 2.908 -6.446 1.00 0.00 C ATOM 197 C ARG A 15 4.632 3.661 -5.208 1.00 0.00 C ATOM 198 O ARG A 15 3.890 3.823 -4.240 1.00 0.00 O ATOM 199 CB ARG A 15 4.006 3.889 -7.612 1.00 0.00 C ATOM 200 CG ARG A 15 3.642 3.157 -8.905 1.00 0.00 C ATOM 201 CD ARG A 15 4.490 3.658 -10.076 1.00 0.00 C ATOM 202 NE ARG A 15 5.184 2.522 -10.722 1.00 0.00 N ATOM 203 CZ ARG A 15 6.030 2.645 -11.753 1.00 0.00 C ATOM 204 NH1 ARG A 15 6.293 3.857 -12.262 1.00 0.00 N ATOM 205 NH2 ARG A 15 6.613 1.558 -12.276 1.00 0.00 N ATOM 0 H ARG A 15 2.064 2.871 -6.157 1.00 0.00 H new ATOM 0 HA ARG A 15 4.861 2.137 -6.716 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.241 4.631 -7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.943 4.429 -7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.792 2.085 -8.775 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.585 3.306 -9.127 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.857 4.168 -10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.219 4.386 -9.722 1.00 0.00 H new ATOM 0 HE ARG A 15 5.007 1.585 -10.359 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.849 4.685 -11.864 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.937 3.952 -13.047 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.413 0.636 -11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.257 1.653 -13.061 1.00 0.00 H new ATOM 216 N VAL A 16 5.879 4.102 -5.279 1.00 0.00 N ATOM 217 CA VAL A 16 6.479 4.835 -4.177 1.00 0.00 C ATOM 218 C VAL A 16 5.569 6.003 -3.792 1.00 0.00 C ATOM 219 O VAL A 16 5.378 6.282 -2.610 1.00 0.00 O ATOM 220 CB VAL A 16 7.895 5.277 -4.551 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.475 6.212 -3.489 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.805 4.068 -4.775 1.00 0.00 C ATOM 0 H VAL A 16 6.491 3.966 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 16 6.575 4.195 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 16 7.838 5.830 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.482 6.512 -3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.845 7.097 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.512 5.695 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.806 4.410 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.854 3.475 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.405 3.456 -5.584 1.00 0.00 H new ATOM 232 N SER A 17 5.033 6.655 -4.814 1.00 0.00 N ATOM 233 CA SER A 17 4.148 7.787 -4.598 1.00 0.00 C ATOM 234 C SER A 17 2.902 7.338 -3.832 1.00 0.00 C ATOM 235 O SER A 17 2.450 8.026 -2.918 1.00 0.00 O ATOM 236 CB SER A 17 3.751 8.437 -5.925 1.00 0.00 C ATOM 237 OG SER A 17 4.110 9.815 -5.973 1.00 0.00 O ATOM 0 H SER A 17 5.195 6.421 -5.793 1.00 0.00 H new ATOM 0 HA SER A 17 4.682 8.531 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.234 7.908 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.675 8.337 -6.070 1.00 0.00 H new ATOM 0 HG SER A 17 3.841 10.193 -6.836 1.00 0.00 H new ATOM 242 N GLU A 18 2.381 6.188 -4.235 1.00 0.00 N ATOM 243 CA GLU A 18 1.195 5.640 -3.599 1.00 0.00 C ATOM 244 C GLU A 18 1.530 5.146 -2.190 1.00 0.00 C ATOM 245 O GLU A 18 0.760 5.360 -1.255 1.00 0.00 O ATOM 246 CB GLU A 18 0.589 4.518 -4.444 1.00 0.00 C ATOM 247 CG GLU A 18 0.476 4.936 -5.912 1.00 0.00 C ATOM 248 CD GLU A 18 -0.092 6.352 -6.036 1.00 0.00 C ATOM 249 OE1 GLU A 18 0.635 7.292 -5.647 1.00 0.00 O ATOM 250 OE2 GLU A 18 -1.241 6.462 -6.516 1.00 0.00 O ATOM 0 H GLU A 18 2.759 5.621 -4.994 1.00 0.00 H new ATOM 0 HA GLU A 18 0.450 6.432 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.206 3.623 -4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.397 4.260 -4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.458 4.891 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.166 4.235 -6.445 1.00 0.00 H new ATOM 255 N LEU A 19 2.679 4.495 -2.083 1.00 0.00 N ATOM 256 CA LEU A 19 3.124 3.968 -0.804 1.00 0.00 C ATOM 257 C LEU A 19 3.189 5.106 0.217 1.00 0.00 C ATOM 258 O LEU A 19 2.878 4.912 1.390 1.00 0.00 O ATOM 259 CB LEU A 19 4.444 3.212 -0.966 1.00 0.00 C ATOM 260 CG LEU A 19 4.329 1.740 -1.368 1.00 0.00 C ATOM 261 CD1 LEU A 19 3.360 0.995 -0.447 1.00 0.00 C ATOM 262 CD2 LEU A 19 3.940 1.602 -2.841 1.00 0.00 C ATOM 0 H LEU A 19 3.315 4.320 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 19 2.409 3.238 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.045 3.727 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.991 3.269 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 19 5.308 1.276 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.296 -0.049 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.720 1.050 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.373 1.453 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.865 0.546 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.978 2.086 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.699 2.076 -3.464 1.00 0.00 H new ATOM 273 N GLN A 20 3.596 6.270 -0.268 1.00 0.00 N ATOM 274 CA GLN A 20 3.706 7.440 0.587 1.00 0.00 C ATOM 275 C GLN A 20 2.355 7.756 1.230 1.00 0.00 C ATOM 276 O GLN A 20 2.289 8.091 2.411 1.00 0.00 O ATOM 277 CB GLN A 20 4.236 8.644 -0.197 1.00 0.00 C ATOM 278 CG GLN A 20 5.714 8.463 -0.546 1.00 0.00 C ATOM 279 CD GLN A 20 6.511 9.729 -0.227 1.00 0.00 C ATOM 280 OE1 GLN A 20 5.966 10.779 0.069 1.00 0.00 O ATOM 281 NE2 GLN A 20 7.830 9.571 -0.302 1.00 0.00 N ATOM 0 H GLN A 20 3.854 6.428 -1.242 1.00 0.00 H new ATOM 0 HA GLN A 20 4.421 7.221 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.656 8.771 -1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.106 9.552 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.123 7.621 0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.815 8.222 -1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.221 8.664 -0.556 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.450 10.357 -0.106 1.00 0.00 H new ATOM 288 N VAL A 21 1.309 7.637 0.425 1.00 0.00 N ATOM 289 CA VAL A 21 -0.037 7.906 0.902 1.00 0.00 C ATOM 290 C VAL A 21 -0.439 6.831 1.912 1.00 0.00 C ATOM 291 O VAL A 21 -1.069 7.131 2.925 1.00 0.00 O ATOM 292 CB VAL A 21 -1.001 8.004 -0.282 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.880 6.756 -0.378 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.854 9.271 -0.192 1.00 0.00 C ATOM 0 H VAL A 21 1.367 7.358 -0.554 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.076 8.866 1.416 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.407 8.065 -1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.556 6.852 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.250 5.877 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.461 6.649 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.530 9.316 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.435 9.254 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.206 10.147 -0.196 1.00 0.00 H new ATOM 304 N LEU A 22 -0.058 5.600 1.603 1.00 0.00 N ATOM 305 CA LEU A 22 -0.372 4.478 2.472 1.00 0.00 C ATOM 306 C LEU A 22 0.233 4.726 3.855 1.00 0.00 C ATOM 307 O LEU A 22 -0.435 4.539 4.871 1.00 0.00 O ATOM 308 CB LEU A 22 0.075 3.163 1.831 1.00 0.00 C ATOM 309 CG LEU A 22 -0.534 2.840 0.466 1.00 0.00 C ATOM 310 CD1 LEU A 22 -0.366 1.358 0.127 1.00 0.00 C ATOM 311 CD2 LEU A 22 -1.998 3.281 0.400 1.00 0.00 C ATOM 0 H LEU A 22 0.465 5.355 0.763 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.450 4.389 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.160 3.183 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.164 2.349 2.515 1.00 0.00 H new ATOM 0 HG LEU A 22 0.007 3.407 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.808 1.156 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.695 1.108 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.865 0.753 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.407 3.040 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.570 2.761 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.062 4.357 0.565 1.00 0.00 H new ATOM 322 N LEU A 23 1.490 5.144 3.850 1.00 0.00 N ATOM 323 CA LEU A 23 2.192 5.420 5.091 1.00 0.00 C ATOM 324 C LEU A 23 1.696 6.746 5.670 1.00 0.00 C ATOM 325 O LEU A 23 1.359 6.825 6.850 1.00 0.00 O ATOM 326 CB LEU A 23 3.705 5.373 4.872 1.00 0.00 C ATOM 327 CG LEU A 23 4.276 4.032 4.407 1.00 0.00 C ATOM 328 CD1 LEU A 23 5.657 3.782 5.015 1.00 0.00 C ATOM 329 CD2 LEU A 23 3.302 2.889 4.707 1.00 0.00 C ATOM 0 H LEU A 23 2.041 5.298 3.005 1.00 0.00 H new ATOM 0 HA LEU A 23 1.975 4.649 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.969 6.132 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.196 5.650 5.805 1.00 0.00 H new ATOM 0 HG LEU A 23 4.404 4.072 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.039 2.822 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.338 4.576 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.579 3.770 6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.731 1.947 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.120 2.838 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.361 3.067 4.187 1.00 0.00 H new ATOM 340 N GLY A 24 1.664 7.755 4.812 1.00 0.00 N ATOM 341 CA GLY A 24 1.214 9.074 5.222 1.00 0.00 C ATOM 342 C GLY A 24 -0.195 9.012 5.818 1.00 0.00 C ATOM 343 O GLY A 24 -0.461 9.612 6.858 1.00 0.00 O ATOM 0 H GLY A 24 1.943 7.685 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.906 9.486 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.221 9.747 4.365 1.00 0.00 H new ATOM 347 N TYR A 25 -1.060 8.278 5.133 1.00 0.00 N ATOM 348 CA TYR A 25 -2.434 8.129 5.580 1.00 0.00 C ATOM 349 C TYR A 25 -2.510 7.259 6.837 1.00 0.00 C ATOM 350 O TYR A 25 -3.542 7.216 7.504 1.00 0.00 O ATOM 351 CB TYR A 25 -3.175 7.426 4.441 1.00 0.00 C ATOM 352 CG TYR A 25 -4.681 7.287 4.671 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.402 8.344 5.188 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.320 6.103 4.362 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.819 8.213 5.404 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.737 5.971 4.579 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.417 7.033 5.089 1.00 0.00 C ATOM 358 OH TYR A 25 -8.756 6.909 5.294 1.00 0.00 O ATOM 0 H TYR A 25 -0.835 7.780 4.272 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.866 9.100 5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.009 7.979 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.746 6.434 4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.903 9.270 5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.757 5.275 3.957 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.394 9.033 5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.249 5.050 4.342 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.201 6.715 4.443 1.00 0.00 H new ATOM 367 N ALA A 26 -1.405 6.587 7.120 1.00 0.00 N ATOM 368 CA ALA A 26 -1.333 5.720 8.284 1.00 0.00 C ATOM 369 C ALA A 26 -0.461 6.381 9.353 1.00 0.00 C ATOM 370 O ALA A 26 -0.398 5.907 10.487 1.00 0.00 O ATOM 371 CB ALA A 26 -0.802 4.347 7.866 1.00 0.00 C ATOM 0 H ALA A 26 -0.551 6.625 6.563 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.324 5.570 8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.748 3.697 8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.472 3.907 7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.193 4.458 7.434 1.00 0.00 H new ATOM 377 N GLY A 27 0.189 7.464 8.956 1.00 0.00 N ATOM 378 CA GLY A 27 1.054 8.195 9.866 1.00 0.00 C ATOM 379 C GLY A 27 2.489 7.668 9.801 1.00 0.00 C ATOM 380 O GLY A 27 3.436 8.398 10.088 1.00 0.00 O ATOM 0 H GLY A 27 0.134 7.854 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.040 9.255 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.676 8.105 10.884 1.00 0.00 H new ATOM 384 N ARG A 28 2.604 6.404 9.422 1.00 0.00 N ATOM 385 CA ARG A 28 3.907 5.770 9.315 1.00 0.00 C ATOM 386 C ARG A 28 4.869 6.663 8.528 1.00 0.00 C ATOM 387 O ARG A 28 4.438 7.488 7.725 1.00 0.00 O ATOM 388 CB ARG A 28 3.804 4.409 8.624 1.00 0.00 C ATOM 389 CG ARG A 28 3.172 3.369 9.552 1.00 0.00 C ATOM 390 CD ARG A 28 4.214 2.781 10.505 1.00 0.00 C ATOM 391 NE ARG A 28 4.310 3.611 11.726 1.00 0.00 N ATOM 392 CZ ARG A 28 5.311 3.528 12.614 1.00 0.00 C ATOM 393 NH1 ARG A 28 6.307 2.654 12.421 1.00 0.00 N ATOM 394 NH2 ARG A 28 5.315 4.322 13.693 1.00 0.00 N ATOM 0 H ARG A 28 1.816 5.801 9.185 1.00 0.00 H new ATOM 0 HA ARG A 28 4.287 5.623 10.326 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.207 4.502 7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.796 4.075 8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.368 3.829 10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.725 2.571 8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.941 1.760 10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.184 2.733 10.011 1.00 0.00 H new ATOM 0 HE ARG A 28 3.568 4.289 11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.304 2.051 11.598 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.068 2.591 13.097 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.557 4.989 13.838 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.076 4.260 14.369 1.00 0.00 H new ATOM 405 N ASN A 29 6.154 6.466 8.785 1.00 0.00 N ATOM 406 CA ASN A 29 7.179 7.244 8.110 1.00 0.00 C ATOM 407 C ASN A 29 7.466 6.621 6.742 1.00 0.00 C ATOM 408 O ASN A 29 7.734 5.425 6.644 1.00 0.00 O ATOM 409 CB ASN A 29 8.483 7.246 8.911 1.00 0.00 C ATOM 410 CG ASN A 29 9.594 7.967 8.145 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.382 7.368 7.432 1.00 0.00 O ATOM 412 ND2 ASN A 29 9.614 9.284 8.332 1.00 0.00 N ATOM 0 H ASN A 29 6.508 5.779 9.451 1.00 0.00 H new ATOM 0 HA ASN A 29 6.816 8.267 8.008 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.323 7.734 9.872 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.787 6.221 9.121 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.319 9.855 7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.925 9.723 8.943 1.00 0.00 H new ATOM 418 N LYS A 30 7.399 7.462 5.721 1.00 0.00 N ATOM 419 CA LYS A 30 7.648 7.010 4.362 1.00 0.00 C ATOM 420 C LYS A 30 9.056 7.434 3.938 1.00 0.00 C ATOM 421 O LYS A 30 9.950 7.554 4.774 1.00 0.00 O ATOM 422 CB LYS A 30 6.547 7.505 3.422 1.00 0.00 C ATOM 423 CG LYS A 30 6.682 9.007 3.162 1.00 0.00 C ATOM 424 CD LYS A 30 5.321 9.701 3.234 1.00 0.00 C ATOM 425 CE LYS A 30 5.244 10.637 4.440 1.00 0.00 C ATOM 426 NZ LYS A 30 4.431 11.831 4.119 1.00 0.00 N ATOM 0 H LYS A 30 7.176 8.454 5.807 1.00 0.00 H new ATOM 0 HA LYS A 30 7.613 5.922 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.599 6.963 2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.570 7.294 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.358 9.447 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.126 9.171 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.149 10.267 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.531 8.953 3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.808 10.111 5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.248 10.942 4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.389 12.456 4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.863 12.342 3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.468 11.536 3.859 1.00 0.00 H new ATOM 436 N HIS A 31 9.208 7.650 2.639 1.00 0.00 N ATOM 437 CA HIS A 31 10.491 8.059 2.095 1.00 0.00 C ATOM 438 C HIS A 31 11.412 6.842 1.983 1.00 0.00 C ATOM 439 O HIS A 31 11.721 6.198 2.984 1.00 0.00 O ATOM 440 CB HIS A 31 11.101 9.188 2.927 1.00 0.00 C ATOM 441 CG HIS A 31 11.774 10.262 2.107 1.00 0.00 C ATOM 442 ND1 HIS A 31 12.596 11.226 2.663 1.00 0.00 N ATOM 443 CD2 HIS A 31 11.738 10.513 0.767 1.00 0.00 C ATOM 444 CE1 HIS A 31 13.029 12.017 1.693 1.00 0.00 C ATOM 445 NE2 HIS A 31 12.496 11.574 0.518 1.00 0.00 N ATOM 0 H HIS A 31 8.464 7.549 1.949 1.00 0.00 H new ATOM 0 HA HIS A 31 10.352 8.461 1.091 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.317 9.645 3.531 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.829 8.763 3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.186 9.945 0.033 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.688 12.864 1.811 1.00 0.00 H new ATOM 0 HE2 HIS A 31 12.654 11.989 -0.400 1.00 0.00 H new ATOM 452 N GLY A 32 11.823 6.562 0.754 1.00 0.00 N ATOM 453 CA GLY A 32 12.702 5.434 0.499 1.00 0.00 C ATOM 454 C GLY A 32 12.311 4.716 -0.796 1.00 0.00 C ATOM 455 O GLY A 32 11.529 5.240 -1.589 1.00 0.00 O ATOM 0 H GLY A 32 11.563 7.097 -0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.733 5.780 0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.655 4.736 1.335 1.00 0.00 H new ATOM 459 N ARG A 33 12.871 3.528 -0.969 1.00 0.00 N ATOM 460 CA ARG A 33 12.591 2.734 -2.153 1.00 0.00 C ATOM 461 C ARG A 33 11.193 2.118 -2.060 1.00 0.00 C ATOM 462 O ARG A 33 10.563 2.156 -1.004 1.00 0.00 O ATOM 463 CB ARG A 33 13.622 1.617 -2.325 1.00 0.00 C ATOM 464 CG ARG A 33 14.721 2.031 -3.305 1.00 0.00 C ATOM 465 CD ARG A 33 15.262 0.819 -4.066 1.00 0.00 C ATOM 466 NE ARG A 33 16.713 0.981 -4.308 1.00 0.00 N ATOM 467 CZ ARG A 33 17.484 0.057 -4.900 1.00 0.00 C ATOM 468 NH1 ARG A 33 16.946 -1.098 -5.313 1.00 0.00 N ATOM 469 NH2 ARG A 33 18.791 0.290 -5.078 1.00 0.00 N ATOM 0 H ARG A 33 13.517 3.096 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 33 12.644 3.397 -3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.064 1.374 -1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.129 0.715 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.327 2.762 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.533 2.517 -2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.079 -0.091 -3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.736 0.710 -5.015 1.00 0.00 H new ATOM 0 HE ARG A 33 17.154 1.850 -4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.951 -1.274 -5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.532 -1.801 -5.763 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.200 1.170 -4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 33 19.378 -0.413 -5.528 1.00 0.00 H new ATOM 480 N LYS A 34 10.749 1.566 -3.179 1.00 0.00 N ATOM 481 CA LYS A 34 9.437 0.943 -3.238 1.00 0.00 C ATOM 482 C LYS A 34 9.446 -0.332 -2.392 1.00 0.00 C ATOM 483 O LYS A 34 8.522 -0.573 -1.617 1.00 0.00 O ATOM 484 CB LYS A 34 9.016 0.715 -4.691 1.00 0.00 C ATOM 485 CG LYS A 34 7.510 0.464 -4.793 1.00 0.00 C ATOM 486 CD LYS A 34 7.213 -0.720 -5.715 1.00 0.00 C ATOM 487 CE LYS A 34 6.979 -0.251 -7.152 1.00 0.00 C ATOM 488 NZ LYS A 34 6.471 -1.364 -7.984 1.00 0.00 N ATOM 0 H LYS A 34 11.274 1.537 -4.053 1.00 0.00 H new ATOM 0 HA LYS A 34 8.681 1.604 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.285 1.584 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.559 -0.137 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.102 0.268 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.014 1.358 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.045 -1.423 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.333 -1.254 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.265 0.572 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.910 0.130 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.318 -1.029 -8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.166 -2.138 -7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.572 -1.709 -7.591 1.00 0.00 H new ATOM 498 N HIS A 35 10.500 -1.116 -2.571 1.00 0.00 N ATOM 499 CA HIS A 35 10.639 -2.361 -1.834 1.00 0.00 C ATOM 500 C HIS A 35 10.627 -2.072 -0.331 1.00 0.00 C ATOM 501 O HIS A 35 9.960 -2.767 0.433 1.00 0.00 O ATOM 502 CB HIS A 35 11.891 -3.118 -2.281 1.00 0.00 C ATOM 503 CG HIS A 35 11.949 -4.547 -1.799 1.00 0.00 C ATOM 504 ND1 HIS A 35 10.925 -5.453 -2.014 1.00 0.00 N ATOM 505 CD2 HIS A 35 12.918 -5.218 -1.111 1.00 0.00 C ATOM 506 CE1 HIS A 35 11.272 -6.613 -1.474 1.00 0.00 C ATOM 507 NE2 HIS A 35 12.507 -6.464 -0.915 1.00 0.00 N ATOM 0 H HIS A 35 11.265 -0.913 -3.215 1.00 0.00 H new ATOM 0 HA HIS A 35 9.793 -3.013 -2.050 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.938 -3.110 -3.370 1.00 0.00 H new ATOM 0 HB3 HIS A 35 12.772 -2.588 -1.920 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.860 -4.805 -0.782 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.681 -7.517 -1.476 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.029 -7.191 -0.426 1.00 0.00 H new ATOM 514 N GLU A 36 11.373 -1.044 0.048 1.00 0.00 N ATOM 515 CA GLU A 36 11.456 -0.655 1.445 1.00 0.00 C ATOM 516 C GLU A 36 10.106 -0.120 1.928 1.00 0.00 C ATOM 517 O GLU A 36 9.678 -0.418 3.042 1.00 0.00 O ATOM 518 CB GLU A 36 12.564 0.377 1.662 1.00 0.00 C ATOM 519 CG GLU A 36 13.940 -0.226 1.370 1.00 0.00 C ATOM 520 CD GLU A 36 14.705 -0.500 2.667 1.00 0.00 C ATOM 521 OE1 GLU A 36 15.125 0.494 3.298 1.00 0.00 O ATOM 522 OE2 GLU A 36 14.851 -1.696 2.997 1.00 0.00 O ATOM 0 H GLU A 36 11.925 -0.469 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 36 11.707 -1.538 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.396 1.238 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.532 0.739 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.823 -1.154 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.514 0.456 0.742 1.00 0.00 H new ATOM 527 N LEU A 37 9.473 0.663 1.066 1.00 0.00 N ATOM 528 CA LEU A 37 8.182 1.243 1.391 1.00 0.00 C ATOM 529 C LEU A 37 7.131 0.133 1.456 1.00 0.00 C ATOM 530 O LEU A 37 6.271 0.138 2.335 1.00 0.00 O ATOM 531 CB LEU A 37 7.834 2.361 0.407 1.00 0.00 C ATOM 532 CG LEU A 37 8.439 3.734 0.710 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.473 4.608 -0.546 1.00 0.00 C ATOM 534 CD2 LEU A 37 7.701 4.416 1.863 1.00 0.00 C ATOM 0 H LEU A 37 9.831 0.909 0.143 1.00 0.00 H new ATOM 0 HA LEU A 37 8.212 1.713 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.157 2.055 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.749 2.463 0.373 1.00 0.00 H new ATOM 0 HG LEU A 37 9.471 3.589 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.907 5.578 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.077 4.121 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.459 4.748 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.151 5.390 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.652 4.548 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.773 3.798 2.758 1.00 0.00 H new ATOM 545 N LEU A 38 7.235 -0.792 0.512 1.00 0.00 N ATOM 546 CA LEU A 38 6.304 -1.906 0.452 1.00 0.00 C ATOM 547 C LEU A 38 6.367 -2.690 1.764 1.00 0.00 C ATOM 548 O LEU A 38 5.340 -3.138 2.273 1.00 0.00 O ATOM 549 CB LEU A 38 6.573 -2.761 -0.788 1.00 0.00 C ATOM 550 CG LEU A 38 5.525 -2.678 -1.900 1.00 0.00 C ATOM 551 CD1 LEU A 38 4.111 -2.612 -1.319 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.814 -1.504 -2.839 1.00 0.00 C ATOM 0 H LEU A 38 7.949 -0.792 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 38 5.282 -1.543 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.538 -2.470 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.661 -3.802 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 38 5.586 -3.590 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.386 -2.554 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.919 -3.506 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.019 -1.729 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.055 -1.467 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.797 -0.573 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.796 -1.635 -3.293 1.00 0.00 H new ATOM 563 N THR A 39 7.582 -2.832 2.274 1.00 0.00 N ATOM 564 CA THR A 39 7.792 -3.553 3.518 1.00 0.00 C ATOM 565 C THR A 39 7.019 -2.888 4.659 1.00 0.00 C ATOM 566 O THR A 39 6.443 -3.569 5.505 1.00 0.00 O ATOM 567 CB THR A 39 9.298 -3.633 3.769 1.00 0.00 C ATOM 568 OG1 THR A 39 9.799 -4.367 2.656 1.00 0.00 O ATOM 569 CG2 THR A 39 9.645 -4.506 4.977 1.00 0.00 C ATOM 0 H THR A 39 8.431 -2.460 1.848 1.00 0.00 H new ATOM 0 HA THR A 39 7.404 -4.570 3.456 1.00 0.00 H new ATOM 0 HB THR A 39 9.693 -2.629 3.921 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.908 -3.766 1.890 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.727 -4.529 5.111 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.178 -4.093 5.871 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.278 -5.519 4.811 1.00 0.00 H new ATOM 577 N LYS A 40 7.032 -1.562 4.644 1.00 0.00 N ATOM 578 CA LYS A 40 6.340 -0.796 5.667 1.00 0.00 C ATOM 579 C LYS A 40 4.832 -1.004 5.520 1.00 0.00 C ATOM 580 O LYS A 40 4.118 -1.127 6.514 1.00 0.00 O ATOM 581 CB LYS A 40 6.766 0.673 5.616 1.00 0.00 C ATOM 582 CG LYS A 40 7.945 0.933 6.556 1.00 0.00 C ATOM 583 CD LYS A 40 8.500 2.345 6.360 1.00 0.00 C ATOM 584 CE LYS A 40 9.539 2.376 5.238 1.00 0.00 C ATOM 585 NZ LYS A 40 10.589 3.377 5.530 1.00 0.00 N ATOM 0 H LYS A 40 7.510 -1.000 3.940 1.00 0.00 H new ATOM 0 HA LYS A 40 6.616 -1.150 6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.043 0.940 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.926 1.309 5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.626 0.804 7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.731 0.200 6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.685 3.030 6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.952 2.694 7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.990 1.390 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.054 2.615 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.286 3.384 4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.157 4.319 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.064 3.132 6.422 1.00 0.00 H new ATOM 595 N ALA A 41 4.389 -1.036 4.271 1.00 0.00 N ATOM 596 CA ALA A 41 2.979 -1.227 3.981 1.00 0.00 C ATOM 597 C ALA A 41 2.576 -2.657 4.346 1.00 0.00 C ATOM 598 O ALA A 41 1.492 -2.884 4.879 1.00 0.00 O ATOM 599 CB ALA A 41 2.711 -0.903 2.510 1.00 0.00 C ATOM 0 H ALA A 41 4.983 -0.933 3.448 1.00 0.00 H new ATOM 0 HA ALA A 41 2.370 -0.550 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.653 -1.047 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.985 0.133 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.304 -1.564 1.878 1.00 0.00 H new ATOM 605 N LEU A 42 3.472 -3.586 4.042 1.00 0.00 N ATOM 606 CA LEU A 42 3.223 -4.988 4.331 1.00 0.00 C ATOM 607 C LEU A 42 3.190 -5.193 5.847 1.00 0.00 C ATOM 608 O LEU A 42 2.289 -5.849 6.368 1.00 0.00 O ATOM 609 CB LEU A 42 4.245 -5.872 3.612 1.00 0.00 C ATOM 610 CG LEU A 42 4.173 -5.875 2.085 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.415 -7.278 1.526 1.00 0.00 C ATOM 612 CD2 LEU A 42 2.848 -5.284 1.597 1.00 0.00 C ATOM 0 H LEU A 42 4.371 -3.395 3.599 1.00 0.00 H new ATOM 0 HA LEU A 42 2.249 -5.290 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.244 -5.552 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.121 -6.896 3.964 1.00 0.00 H new ATOM 0 HG LEU A 42 4.970 -5.236 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.358 -7.251 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.403 -7.625 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.657 -7.959 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.823 -5.298 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.020 -5.876 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.756 -4.256 1.949 1.00 0.00 H new ATOM 623 N HIS A 43 4.184 -4.622 6.512 1.00 0.00 N ATOM 624 CA HIS A 43 4.279 -4.734 7.956 1.00 0.00 C ATOM 625 C HIS A 43 3.033 -4.126 8.603 1.00 0.00 C ATOM 626 O HIS A 43 2.622 -4.546 9.684 1.00 0.00 O ATOM 627 CB HIS A 43 5.578 -4.106 8.466 1.00 0.00 C ATOM 628 CG HIS A 43 6.755 -5.051 8.477 1.00 0.00 C ATOM 629 ND1 HIS A 43 7.939 -4.766 9.136 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.918 -6.279 7.906 1.00 0.00 C ATOM 631 CE1 HIS A 43 8.770 -5.783 8.961 1.00 0.00 C ATOM 632 NE2 HIS A 43 8.136 -6.719 8.198 1.00 0.00 N ATOM 0 H HIS A 43 4.930 -4.080 6.076 1.00 0.00 H new ATOM 0 HA HIS A 43 4.316 -5.786 8.240 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.822 -3.245 7.843 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.416 -3.732 9.477 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.181 -6.804 7.316 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.773 -5.858 9.354 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.533 -7.610 7.901 1.00 0.00 H new ATOM 639 N LEU A 44 2.466 -3.148 7.912 1.00 0.00 N ATOM 640 CA LEU A 44 1.274 -2.478 8.405 1.00 0.00 C ATOM 641 C LEU A 44 0.130 -3.489 8.505 1.00 0.00 C ATOM 642 O LEU A 44 -0.660 -3.446 9.447 1.00 0.00 O ATOM 643 CB LEU A 44 0.945 -1.262 7.537 1.00 0.00 C ATOM 644 CG LEU A 44 1.198 0.105 8.174 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.574 1.224 7.338 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.712 0.133 9.625 1.00 0.00 C ATOM 0 H LEU A 44 2.809 -2.804 7.015 1.00 0.00 H new ATOM 0 HA LEU A 44 1.444 -2.088 9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.530 -1.327 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.105 -1.318 7.251 1.00 0.00 H new ATOM 0 HG LEU A 44 2.274 0.279 8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.769 2.185 7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.010 1.218 6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.502 1.067 7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.904 1.116 10.054 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.358 -0.073 9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.243 -0.624 10.201 1.00 0.00 H new ATOM 657 N LEU A 45 0.079 -4.376 7.523 1.00 0.00 N ATOM 658 CA LEU A 45 -0.955 -5.396 7.488 1.00 0.00 C ATOM 659 C LEU A 45 -0.795 -6.319 8.699 1.00 0.00 C ATOM 660 O LEU A 45 -1.762 -6.933 9.148 1.00 0.00 O ATOM 661 CB LEU A 45 -0.938 -6.133 6.147 1.00 0.00 C ATOM 662 CG LEU A 45 -1.455 -5.343 4.943 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.433 -5.349 3.805 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.820 -5.866 4.489 1.00 0.00 C ATOM 0 H LEU A 45 0.738 -4.410 6.745 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.942 -4.940 7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.085 -6.446 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.535 -7.040 6.245 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.593 -4.306 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.825 -4.781 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.496 -4.895 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.242 -6.376 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.165 -5.287 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.732 -6.915 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.537 -5.768 5.305 1.00 0.00 H new ATOM 675 N LYS A 46 0.433 -6.388 9.191 1.00 0.00 N ATOM 676 CA LYS A 46 0.732 -7.225 10.340 1.00 0.00 C ATOM 677 C LYS A 46 0.657 -6.381 11.615 1.00 0.00 C ATOM 678 O LYS A 46 0.409 -6.908 12.698 1.00 0.00 O ATOM 679 CB LYS A 46 2.074 -7.936 10.151 1.00 0.00 C ATOM 680 CG LYS A 46 2.113 -9.252 10.931 1.00 0.00 C ATOM 681 CD LYS A 46 2.323 -10.439 9.991 1.00 0.00 C ATOM 682 CE LYS A 46 0.987 -10.968 9.468 1.00 0.00 C ATOM 683 NZ LYS A 46 0.828 -10.647 8.032 1.00 0.00 N ATOM 0 H LYS A 46 1.232 -5.878 8.815 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.011 -8.017 10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.239 -8.132 9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.883 -7.287 10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.917 -9.219 11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.181 -9.380 11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.952 -10.137 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.852 -11.234 10.516 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.935 -12.047 9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.168 -10.529 10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.084 -11.013 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.857 -9.616 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.600 -11.086 7.491 1.00 0.00 H new ATOM 693 N ALA A 47 0.875 -5.085 11.442 1.00 0.00 N ATOM 694 CA ALA A 47 0.835 -4.164 12.563 1.00 0.00 C ATOM 695 C ALA A 47 -0.594 -3.648 12.743 1.00 0.00 C ATOM 696 O ALA A 47 -0.827 -2.708 13.502 1.00 0.00 O ATOM 697 CB ALA A 47 1.838 -3.033 12.331 1.00 0.00 C ATOM 0 H ALA A 47 1.080 -4.652 10.541 1.00 0.00 H new ATOM 0 HA ALA A 47 1.122 -4.670 13.485 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.808 -2.341 13.173 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.841 -3.449 12.239 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.581 -2.501 11.415 1.00 0.00 H new ATOM 703 N GLY A 48 -1.513 -4.285 12.034 1.00 0.00 N ATOM 704 CA GLY A 48 -2.913 -3.901 12.105 1.00 0.00 C ATOM 705 C GLY A 48 -3.193 -2.683 11.224 1.00 0.00 C ATOM 706 O GLY A 48 -3.064 -1.544 11.672 1.00 0.00 O ATOM 0 H GLY A 48 -1.316 -5.065 11.407 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.539 -4.735 11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.180 -3.676 13.138 1.00 0.00 H new ATOM 710 N CYS A 49 -3.572 -2.962 9.985 1.00 0.00 N ATOM 711 CA CYS A 49 -3.872 -1.903 9.037 1.00 0.00 C ATOM 712 C CYS A 49 -5.391 -1.729 8.975 1.00 0.00 C ATOM 713 O CYS A 49 -6.119 -2.686 8.719 1.00 0.00 O ATOM 714 CB CYS A 49 -3.274 -2.191 7.659 1.00 0.00 C ATOM 715 SG CYS A 49 -4.217 -3.526 6.834 1.00 0.00 S ATOM 0 H CYS A 49 -3.678 -3.907 9.616 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.414 -0.972 9.372 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.295 -1.288 7.048 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.229 -2.482 7.761 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.351 -3.699 7.446 1.00 0.00 H new ATOM 720 N SER A 50 -5.824 -0.499 9.215 1.00 0.00 N ATOM 721 CA SER A 50 -7.243 -0.187 9.190 1.00 0.00 C ATOM 722 C SER A 50 -7.823 -0.499 7.808 1.00 0.00 C ATOM 723 O SER A 50 -7.078 -0.693 6.848 1.00 0.00 O ATOM 724 CB SER A 50 -7.491 1.278 9.552 1.00 0.00 C ATOM 725 OG SER A 50 -8.147 1.413 10.810 1.00 0.00 O ATOM 0 H SER A 50 -5.217 0.293 9.428 1.00 0.00 H new ATOM 0 HA SER A 50 -7.743 -0.806 9.935 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.540 1.811 9.580 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.096 1.746 8.775 1.00 0.00 H new ATOM 0 HG SER A 50 -8.286 2.363 11.006 1.00 0.00 H new ATOM 730 N PRO A 51 -9.181 -0.537 7.751 1.00 0.00 N ATOM 731 CA PRO A 51 -9.869 -0.820 6.503 1.00 0.00 C ATOM 732 C PRO A 51 -9.829 0.389 5.566 1.00 0.00 C ATOM 733 O PRO A 51 -10.024 0.251 4.360 1.00 0.00 O ATOM 734 CB PRO A 51 -11.280 -1.208 6.911 1.00 0.00 C ATOM 735 CG PRO A 51 -11.465 -0.681 8.325 1.00 0.00 C ATOM 736 CD PRO A 51 -10.094 -0.311 8.867 1.00 0.00 C ATOM 0 HA PRO A 51 -9.397 -1.623 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.016 -0.775 6.233 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.413 -2.289 6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.123 0.188 8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.934 -1.436 8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.066 0.727 9.198 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.829 -0.926 9.727 1.00 0.00 H new ATOM 741 N ALA A 52 -9.573 1.546 6.159 1.00 0.00 N ATOM 742 CA ALA A 52 -9.504 2.779 5.393 1.00 0.00 C ATOM 743 C ALA A 52 -8.260 2.753 4.502 1.00 0.00 C ATOM 744 O ALA A 52 -8.302 3.204 3.358 1.00 0.00 O ATOM 745 CB ALA A 52 -9.512 3.975 6.348 1.00 0.00 C ATOM 0 H ALA A 52 -9.411 1.656 7.160 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.373 2.875 4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.460 4.900 5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.429 3.964 6.937 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.652 3.914 7.015 1.00 0.00 H new ATOM 751 N VAL A 53 -7.183 2.220 5.060 1.00 0.00 N ATOM 752 CA VAL A 53 -5.930 2.128 4.331 1.00 0.00 C ATOM 753 C VAL A 53 -6.023 0.996 3.306 1.00 0.00 C ATOM 754 O VAL A 53 -5.579 1.147 2.169 1.00 0.00 O ATOM 755 CB VAL A 53 -4.767 1.956 5.309 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.453 2.434 4.689 1.00 0.00 C ATOM 757 CG2 VAL A 53 -5.046 2.680 6.627 1.00 0.00 C ATOM 0 H VAL A 53 -7.153 1.847 6.009 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.740 3.049 3.781 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.668 0.892 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.643 2.300 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.242 1.854 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.536 3.489 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.203 2.541 7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.186 3.744 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.948 2.272 7.083 1.00 0.00 H new ATOM 767 N GLN A 54 -6.602 -0.111 3.746 1.00 0.00 N ATOM 768 CA GLN A 54 -6.758 -1.269 2.881 1.00 0.00 C ATOM 769 C GLN A 54 -7.593 -0.903 1.652 1.00 0.00 C ATOM 770 O GLN A 54 -7.363 -1.428 0.563 1.00 0.00 O ATOM 771 CB GLN A 54 -7.383 -2.440 3.641 1.00 0.00 C ATOM 772 CG GLN A 54 -6.406 -3.009 4.672 1.00 0.00 C ATOM 773 CD GLN A 54 -6.525 -4.532 4.758 1.00 0.00 C ATOM 774 OE1 GLN A 54 -5.549 -5.262 4.689 1.00 0.00 O ATOM 775 NE2 GLN A 54 -7.772 -4.969 4.912 1.00 0.00 N ATOM 0 H GLN A 54 -6.969 -0.231 4.690 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.770 -1.584 2.544 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.293 -2.109 4.141 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.672 -3.222 2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.386 -2.735 4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.606 -2.569 5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.543 -4.303 4.962 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.957 -5.970 4.980 1.00 0.00 H new ATOM 782 N MET A 55 -8.545 -0.008 1.868 1.00 0.00 N ATOM 783 CA MET A 55 -9.415 0.433 0.791 1.00 0.00 C ATOM 784 C MET A 55 -8.668 1.353 -0.176 1.00 0.00 C ATOM 785 O MET A 55 -8.885 1.296 -1.385 1.00 0.00 O ATOM 786 CB MET A 55 -10.616 1.177 1.379 1.00 0.00 C ATOM 787 CG MET A 55 -11.174 2.194 0.380 1.00 0.00 C ATOM 788 SD MET A 55 -11.753 1.355 -1.085 1.00 0.00 S ATOM 789 CE MET A 55 -13.514 1.417 -0.802 1.00 0.00 C ATOM 0 H MET A 55 -8.733 0.424 2.773 1.00 0.00 H new ATOM 0 HA MET A 55 -9.753 -0.444 0.239 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.394 0.463 1.649 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.319 1.687 2.295 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.991 2.753 0.836 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.402 2.917 0.114 1.00 0.00 H new ATOM 0 HE1 MET A 55 -14.033 0.933 -1.629 1.00 0.00 H new ATOM 0 HE2 MET A 55 -13.752 0.900 0.128 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.835 2.456 -0.731 1.00 0.00 H new ATOM 797 N LYS A 56 -7.803 2.181 0.393 1.00 0.00 N ATOM 798 CA LYS A 56 -7.023 3.112 -0.404 1.00 0.00 C ATOM 799 C LYS A 56 -6.139 2.327 -1.377 1.00 0.00 C ATOM 800 O LYS A 56 -5.787 2.828 -2.444 1.00 0.00 O ATOM 801 CB LYS A 56 -6.243 4.068 0.499 1.00 0.00 C ATOM 802 CG LYS A 56 -6.610 5.524 0.203 1.00 0.00 C ATOM 803 CD LYS A 56 -6.463 5.833 -1.288 1.00 0.00 C ATOM 804 CE LYS A 56 -5.861 7.223 -1.503 1.00 0.00 C ATOM 805 NZ LYS A 56 -6.437 7.857 -2.711 1.00 0.00 N ATOM 0 H LYS A 56 -7.626 2.226 1.396 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.679 3.742 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.455 3.841 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.173 3.922 0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.636 5.716 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.969 6.189 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.829 5.081 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.438 5.776 -1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.053 7.848 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.779 7.145 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.017 8.800 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.232 7.268 -3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.467 7.949 -2.597 1.00 0.00 H new ATOM 815 N ILE A 57 -5.807 1.110 -0.973 1.00 0.00 N ATOM 816 CA ILE A 57 -4.971 0.252 -1.795 1.00 0.00 C ATOM 817 C ILE A 57 -5.727 -0.119 -3.072 1.00 0.00 C ATOM 818 O ILE A 57 -5.145 -0.157 -4.155 1.00 0.00 O ATOM 819 CB ILE A 57 -4.491 -0.958 -0.991 1.00 0.00 C ATOM 820 CG1 ILE A 57 -3.624 -0.522 0.192 1.00 0.00 C ATOM 821 CG2 ILE A 57 -3.769 -1.963 -1.892 1.00 0.00 C ATOM 822 CD1 ILE A 57 -3.251 -1.720 1.068 1.00 0.00 C ATOM 0 H ILE A 57 -6.102 0.698 -0.088 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.068 0.781 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.365 -1.464 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.718 -0.039 -0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.160 0.216 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.438 -2.814 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.449 -2.308 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.905 -1.484 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.635 -1.383 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.158 -2.186 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.694 -2.445 0.475 1.00 0.00 H new ATOM 833 N LYS A 58 -7.016 -0.382 -2.904 1.00 0.00 N ATOM 834 CA LYS A 58 -7.859 -0.747 -4.029 1.00 0.00 C ATOM 835 C LYS A 58 -8.066 0.476 -4.923 1.00 0.00 C ATOM 836 O LYS A 58 -8.089 0.357 -6.148 1.00 0.00 O ATOM 837 CB LYS A 58 -9.162 -1.380 -3.538 1.00 0.00 C ATOM 838 CG LYS A 58 -8.913 -2.776 -2.963 1.00 0.00 C ATOM 839 CD LYS A 58 -9.834 -3.052 -1.773 1.00 0.00 C ATOM 840 CE LYS A 58 -9.804 -4.532 -1.390 1.00 0.00 C ATOM 841 NZ LYS A 58 -10.502 -4.748 -0.102 1.00 0.00 N ATOM 0 H LYS A 58 -7.496 -0.349 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.373 -1.508 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.614 -0.745 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.872 -1.444 -4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.078 -3.526 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.873 -2.864 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.526 -2.446 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.854 -2.757 -2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.278 -5.126 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.772 -4.873 -1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.473 -5.758 0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.032 -4.196 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.492 -4.441 -0.188 1.00 0.00 H new ATOM 851 N GLU A 59 -8.214 1.624 -4.278 1.00 0.00 N ATOM 852 CA GLU A 59 -8.419 2.867 -4.999 1.00 0.00 C ATOM 853 C GLU A 59 -7.131 3.291 -5.706 1.00 0.00 C ATOM 854 O GLU A 59 -7.141 3.589 -6.899 1.00 0.00 O ATOM 855 CB GLU A 59 -8.918 3.969 -4.063 1.00 0.00 C ATOM 856 CG GLU A 59 -9.875 3.403 -3.011 1.00 0.00 C ATOM 857 CD GLU A 59 -11.120 4.282 -2.873 1.00 0.00 C ATOM 858 OE1 GLU A 59 -11.532 4.848 -3.908 1.00 0.00 O ATOM 859 OE2 GLU A 59 -11.631 4.367 -1.736 1.00 0.00 O ATOM 0 H GLU A 59 -8.196 1.718 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.187 2.702 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.070 4.444 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.424 4.742 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.169 2.391 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.365 3.335 -2.050 1.00 0.00 H new ATOM 864 N LEU A 60 -6.050 3.302 -4.939 1.00 0.00 N ATOM 865 CA LEU A 60 -4.755 3.684 -5.477 1.00 0.00 C ATOM 866 C LEU A 60 -4.373 2.724 -6.606 1.00 0.00 C ATOM 867 O LEU A 60 -3.877 3.151 -7.648 1.00 0.00 O ATOM 868 CB LEU A 60 -3.712 3.764 -4.360 1.00 0.00 C ATOM 869 CG LEU A 60 -3.789 4.998 -3.459 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.441 4.643 -2.011 1.00 0.00 C ATOM 871 CD2 LEU A 60 -2.912 6.128 -3.999 1.00 0.00 C ATOM 0 H LEU A 60 -6.044 3.053 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.803 4.683 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.808 2.876 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.721 3.730 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.817 5.360 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.503 5.538 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.143 3.896 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.428 4.242 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.986 6.993 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.875 5.794 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.249 6.404 -4.998 1.00 0.00 H new ATOM 882 N TYR A 61 -4.620 1.446 -6.361 1.00 0.00 N ATOM 883 CA TYR A 61 -4.308 0.422 -7.344 1.00 0.00 C ATOM 884 C TYR A 61 -5.247 0.514 -8.548 1.00 0.00 C ATOM 885 O TYR A 61 -4.811 0.387 -9.691 1.00 0.00 O ATOM 886 CB TYR A 61 -4.530 -0.920 -6.641 1.00 0.00 C ATOM 887 CG TYR A 61 -4.251 -2.138 -7.523 1.00 0.00 C ATOM 888 CD1 TYR A 61 -5.171 -2.524 -8.477 1.00 0.00 C ATOM 889 CD2 TYR A 61 -3.080 -2.851 -7.365 1.00 0.00 C ATOM 890 CE1 TYR A 61 -4.910 -3.671 -9.307 1.00 0.00 C ATOM 891 CE2 TYR A 61 -2.819 -3.998 -8.195 1.00 0.00 C ATOM 892 CZ TYR A 61 -3.746 -4.351 -9.126 1.00 0.00 C ATOM 893 OH TYR A 61 -3.499 -5.434 -9.910 1.00 0.00 O ATOM 0 H TYR A 61 -5.033 1.096 -5.496 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.288 0.539 -7.709 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.889 -0.968 -5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.560 -0.968 -6.289 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.087 -1.965 -8.601 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.360 -2.549 -6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.622 -3.984 -10.056 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.907 -4.566 -8.081 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.631 -5.820 -9.670 1.00 0.00 H new ATOM 902 N ARG A 62 -6.519 0.734 -8.250 1.00 0.00 N ATOM 903 CA ARG A 62 -7.523 0.845 -9.295 1.00 0.00 C ATOM 904 C ARG A 62 -7.106 1.899 -10.322 1.00 0.00 C ATOM 905 O ARG A 62 -6.907 1.584 -11.494 1.00 0.00 O ATOM 906 CB ARG A 62 -8.886 1.223 -8.710 1.00 0.00 C ATOM 907 CG ARG A 62 -9.692 -0.025 -8.346 1.00 0.00 C ATOM 908 CD ARG A 62 -10.978 -0.108 -9.170 1.00 0.00 C ATOM 909 NE ARG A 62 -10.654 -0.118 -10.614 1.00 0.00 N ATOM 910 CZ ARG A 62 -11.570 -0.213 -11.588 1.00 0.00 C ATOM 911 NH1 ARG A 62 -12.870 -0.307 -11.279 1.00 0.00 N ATOM 912 NH2 ARG A 62 -11.185 -0.214 -12.871 1.00 0.00 N ATOM 0 H ARG A 62 -6.877 0.838 -7.301 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.605 -0.127 -9.781 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.746 1.841 -7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.442 1.822 -9.432 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.088 -0.915 -8.518 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.937 -0.007 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.531 -1.010 -8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.623 0.740 -8.939 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.673 -0.048 -10.885 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.163 -0.306 -10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.567 -0.379 -12.021 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.195 -0.143 -13.106 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.882 -0.286 -13.612 1.00 0.00 H new ATOM 923 N ARG A 63 -6.988 3.130 -9.846 1.00 0.00 N ATOM 924 CA ARG A 63 -6.598 4.232 -10.709 1.00 0.00 C ATOM 925 C ARG A 63 -5.362 3.855 -11.527 1.00 0.00 C ATOM 926 O ARG A 63 -5.244 4.234 -12.692 1.00 0.00 O ATOM 927 CB ARG A 63 -6.295 5.490 -9.892 1.00 0.00 C ATOM 928 CG ARG A 63 -7.569 6.052 -9.258 1.00 0.00 C ATOM 929 CD ARG A 63 -7.235 7.086 -8.180 1.00 0.00 C ATOM 930 NE ARG A 63 -8.316 8.094 -8.094 1.00 0.00 N ATOM 931 CZ ARG A 63 -8.423 8.998 -7.110 1.00 0.00 C ATOM 932 NH1 ARG A 63 -7.517 9.025 -6.124 1.00 0.00 N ATOM 933 NH2 ARG A 63 -9.436 9.874 -7.114 1.00 0.00 N ATOM 0 H ARG A 63 -7.156 3.388 -8.874 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.432 4.439 -11.379 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.570 5.256 -9.113 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.841 6.244 -10.534 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.190 6.511 -10.027 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.150 5.240 -8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.110 6.592 -7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.289 7.574 -8.413 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.023 8.101 -8.829 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.746 8.358 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.598 9.713 -5.375 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.125 9.853 -7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.518 10.562 -6.366 1.00 0.00 H new ATOM 944 N ARG A 64 -4.471 3.111 -10.887 1.00 0.00 N ATOM 945 CA ARG A 64 -3.249 2.678 -11.542 1.00 0.00 C ATOM 946 C ARG A 64 -3.461 1.323 -12.220 1.00 0.00 C ATOM 947 O ARG A 64 -2.575 0.470 -12.202 1.00 0.00 O ATOM 948 CB ARG A 64 -2.098 2.564 -10.539 1.00 0.00 C ATOM 949 CG ARG A 64 -1.603 3.947 -10.115 1.00 0.00 C ATOM 950 CD ARG A 64 -0.191 3.868 -9.529 1.00 0.00 C ATOM 951 NE ARG A 64 0.727 4.734 -10.302 1.00 0.00 N ATOM 952 CZ ARG A 64 1.360 4.350 -11.419 1.00 0.00 C ATOM 953 NH1 ARG A 64 1.178 3.113 -11.901 1.00 0.00 N ATOM 954 NH2 ARG A 64 2.174 5.204 -12.055 1.00 0.00 N ATOM 0 H ARG A 64 -4.572 2.797 -9.922 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.991 3.426 -12.291 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.429 2.007 -9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.278 2.001 -10.984 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.607 4.618 -10.974 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.284 4.370 -9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.204 4.179 -8.484 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.163 2.837 -9.551 1.00 0.00 H new ATOM 0 HE ARG A 64 0.888 5.683 -9.963 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.558 2.464 -11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.660 2.821 -12.751 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.312 6.146 -11.689 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.656 4.912 -12.905 1.00 0.00 H new ATOM 965 N PHE A 65 -4.641 1.167 -12.802 1.00 0.00 N ATOM 966 CA PHE A 65 -4.981 -0.069 -13.485 1.00 0.00 C ATOM 967 C PHE A 65 -3.946 -0.405 -14.560 1.00 0.00 C ATOM 968 O PHE A 65 -3.421 -1.517 -14.596 1.00 0.00 O ATOM 969 CB PHE A 65 -6.341 0.149 -14.154 1.00 0.00 C ATOM 970 CG PHE A 65 -6.439 1.448 -14.953 1.00 0.00 C ATOM 971 CD1 PHE A 65 -5.896 1.525 -16.198 1.00 0.00 C ATOM 972 CD2 PHE A 65 -7.071 2.529 -14.420 1.00 0.00 C ATOM 973 CE1 PHE A 65 -5.988 2.732 -16.940 1.00 0.00 C ATOM 974 CE2 PHE A 65 -7.162 3.736 -15.161 1.00 0.00 C ATOM 975 CZ PHE A 65 -6.619 3.812 -16.407 1.00 0.00 C ATOM 0 H PHE A 65 -5.374 1.877 -12.814 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.005 -0.893 -12.772 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.547 -0.691 -14.818 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.116 0.146 -13.388 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.395 0.668 -16.622 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.504 2.468 -13.432 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.557 2.792 -17.928 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.662 4.594 -14.736 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.689 4.730 -16.972 1.00 0.00 H new