USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 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 46 MET CE :methyl 160:sc= -3.16 (180deg=-3.88!) USER MOD Set 1.2: A 85 GLN :FLIP amide:sc= -1.52 F(o=-6.1!,f=-4.7) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.7!) USER MOD Single : A 7 GLN : amide:sc= -0.762! C(o=-0.76!,f=-6.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 150:sc= -0.269 (180deg=-1.69!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 80:sc= -1.57! USER MOD Single : A 39 THR OG1 : rot -160:sc= 0.353 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 156:sc= 1.08 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -4.82! C(o=-4.8!,f=-9.8!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : A 54 THR OG1 : rot -140:sc= -2.14 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -30:sc= 0.67 USER MOD Single : A 81 MET CE :methyl 167:sc= -2.94! (180deg=-3.69!) USER MOD Single : A 82 MET CE :methyl 154:sc= -13.2! (180deg=-15.4!) USER MOD Single : A 86 MET CE :methyl 174:sc= -0.0019 (180deg=-0.0263) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.537 -7.168 -10.092 1.00 0.00 N ATOM 25 CA MET A 3 64.616 -5.894 -9.321 1.00 0.00 C ATOM 26 C MET A 3 63.410 -5.010 -9.641 1.00 0.00 C ATOM 27 O MET A 3 62.670 -4.611 -8.764 1.00 0.00 O ATOM 28 CB MET A 3 65.911 -5.230 -9.789 1.00 0.00 C ATOM 29 CG MET A 3 67.088 -5.784 -8.984 1.00 0.00 C ATOM 30 SD MET A 3 68.593 -5.712 -9.987 1.00 0.00 S ATOM 31 CE MET A 3 68.969 -3.965 -9.707 1.00 0.00 C ATOM 0 HA MET A 3 64.610 -6.059 -8.244 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.064 -5.416 -10.852 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.845 -4.150 -9.661 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.220 -5.207 -8.069 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.886 -6.813 -8.686 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.879 -3.698 -10.245 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.142 -3.353 -10.066 1.00 0.00 H new ATOM 0 HE3 MET A 3 69.113 -3.790 -8.641 1.00 0.00 H new ATOM 41 N THR A 4 63.204 -4.702 -10.892 1.00 0.00 N ATOM 42 CA THR A 4 62.044 -3.845 -11.266 1.00 0.00 C ATOM 43 C THR A 4 60.757 -4.415 -10.666 1.00 0.00 C ATOM 44 O THR A 4 59.825 -3.694 -10.368 1.00 0.00 O ATOM 45 CB THR A 4 61.992 -3.891 -12.794 1.00 0.00 C ATOM 46 OG1 THR A 4 61.074 -2.913 -13.263 1.00 0.00 O ATOM 47 CG2 THR A 4 61.541 -5.279 -13.250 1.00 0.00 C ATOM 0 H THR A 4 63.788 -5.006 -11.671 1.00 0.00 H new ATOM 0 HA THR A 4 62.145 -2.825 -10.895 1.00 0.00 H new ATOM 0 HB THR A 4 62.983 -3.684 -13.199 1.00 0.00 H new ATOM 0 HG1 THR A 4 61.040 -2.939 -14.242 1.00 0.00 H new ATOM 0 HG21 THR A 4 61.504 -5.310 -14.339 1.00 0.00 H new ATOM 0 HG22 THR A 4 62.246 -6.028 -12.889 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.550 -5.490 -12.848 1.00 0.00 H new ATOM 55 N ASP A 5 60.698 -5.707 -10.482 1.00 0.00 N ATOM 56 CA ASP A 5 59.472 -6.323 -9.898 1.00 0.00 C ATOM 57 C ASP A 5 59.533 -6.265 -8.370 1.00 0.00 C ATOM 58 O ASP A 5 58.564 -5.945 -7.711 1.00 0.00 O ATOM 59 CB ASP A 5 59.488 -7.773 -10.382 1.00 0.00 C ATOM 60 CG ASP A 5 58.232 -8.491 -9.886 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.262 -9.000 -8.779 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.260 -8.517 -10.624 1.00 0.00 O ATOM 0 H ASP A 5 61.446 -6.362 -10.711 1.00 0.00 H new ATOM 0 HA ASP A 5 58.562 -5.804 -10.201 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.531 -7.804 -11.471 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.379 -8.281 -10.013 1.00 0.00 H new ATOM 67 N GLN A 6 60.667 -6.569 -7.801 1.00 0.00 N ATOM 68 CA GLN A 6 60.794 -6.528 -6.316 1.00 0.00 C ATOM 69 C GLN A 6 60.676 -5.086 -5.820 1.00 0.00 C ATOM 70 O GLN A 6 60.595 -4.831 -4.634 1.00 0.00 O ATOM 71 CB GLN A 6 62.186 -7.088 -6.022 1.00 0.00 C ATOM 72 CG GLN A 6 62.234 -7.612 -4.585 1.00 0.00 C ATOM 73 CD GLN A 6 61.727 -9.055 -4.551 1.00 0.00 C ATOM 74 OE1 GLN A 6 60.625 -9.333 -4.981 1.00 0.00 O ATOM 75 NE2 GLN A 6 62.489 -9.990 -4.053 1.00 0.00 N ATOM 0 H GLN A 6 61.512 -6.844 -8.301 1.00 0.00 H new ATOM 0 HA GLN A 6 60.013 -7.101 -5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.421 -7.891 -6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.939 -6.312 -6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.254 -7.565 -4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.622 -6.985 -3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 6 63.414 -9.756 -3.692 1.00 0.00 H new ATOM 0 HE22 GLN A 6 62.160 -10.955 -4.025 1.00 0.00 H new ATOM 84 N GLN A 7 60.667 -4.141 -6.719 1.00 0.00 N ATOM 85 CA GLN A 7 60.555 -2.716 -6.301 1.00 0.00 C ATOM 86 C GLN A 7 59.129 -2.416 -5.828 1.00 0.00 C ATOM 87 O GLN A 7 58.894 -1.476 -5.097 1.00 0.00 O ATOM 88 CB GLN A 7 60.883 -1.908 -7.558 1.00 0.00 C ATOM 89 CG GLN A 7 60.884 -0.415 -7.220 1.00 0.00 C ATOM 90 CD GLN A 7 60.107 0.351 -8.291 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.288 1.193 -7.979 1.00 0.00 O ATOM 92 NE2 GLN A 7 60.330 0.093 -9.551 1.00 0.00 N ATOM 0 H GLN A 7 60.732 -4.294 -7.725 1.00 0.00 H new ATOM 0 HA GLN A 7 61.223 -2.473 -5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.856 -2.204 -7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 7 60.150 -2.115 -8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.432 -0.253 -6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.908 -0.045 -7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 7 61.017 -0.614 -9.813 1.00 0.00 H new ATOM 0 HE22 GLN A 7 59.817 0.598 -10.274 1.00 0.00 H new ATOM 101 N ALA A 8 58.179 -3.210 -6.242 1.00 0.00 N ATOM 102 CA ALA A 8 56.767 -2.975 -5.818 1.00 0.00 C ATOM 103 C ALA A 8 56.478 -3.705 -4.503 1.00 0.00 C ATOM 104 O ALA A 8 56.079 -3.108 -3.523 1.00 0.00 O ATOM 105 CB ALA A 8 55.914 -3.547 -6.950 1.00 0.00 C ATOM 0 H ALA A 8 58.319 -4.012 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 8 56.559 -1.919 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.858 -3.413 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.147 -3.027 -7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.128 -4.610 -7.065 1.00 0.00 H new ATOM 111 N GLU A 9 56.672 -4.996 -4.478 1.00 0.00 N ATOM 112 CA GLU A 9 56.404 -5.768 -3.229 1.00 0.00 C ATOM 113 C GLU A 9 57.394 -5.368 -2.131 1.00 0.00 C ATOM 114 O GLU A 9 57.275 -5.783 -0.995 1.00 0.00 O ATOM 115 CB GLU A 9 56.602 -7.233 -3.620 1.00 0.00 C ATOM 116 CG GLU A 9 56.033 -8.135 -2.521 1.00 0.00 C ATOM 117 CD GLU A 9 57.152 -9.004 -1.944 1.00 0.00 C ATOM 118 OE1 GLU A 9 57.681 -9.820 -2.680 1.00 0.00 O ATOM 119 OE2 GLU A 9 57.461 -8.838 -0.776 1.00 0.00 O ATOM 0 H GLU A 9 57.004 -5.550 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 9 55.405 -5.580 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.104 -7.438 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.662 -7.442 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.586 -7.529 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.241 -8.765 -2.926 1.00 0.00 H new ATOM 126 N ALA A 10 58.370 -4.566 -2.458 1.00 0.00 N ATOM 127 CA ALA A 10 59.364 -4.146 -1.429 1.00 0.00 C ATOM 128 C ALA A 10 58.732 -3.145 -0.456 1.00 0.00 C ATOM 129 O ALA A 10 59.102 -3.071 0.698 1.00 0.00 O ATOM 130 CB ALA A 10 60.495 -3.489 -2.218 1.00 0.00 C ATOM 0 H ALA A 10 58.522 -4.184 -3.391 1.00 0.00 H new ATOM 0 HA ALA A 10 59.719 -4.985 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.270 -3.151 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 10 60.919 -4.211 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.104 -2.635 -2.772 1.00 0.00 H new ATOM 136 N ARG A 11 57.779 -2.375 -0.911 1.00 0.00 N ATOM 137 CA ARG A 11 57.129 -1.383 -0.002 1.00 0.00 C ATOM 138 C ARG A 11 55.919 -2.022 0.684 1.00 0.00 C ATOM 139 O ARG A 11 55.640 -1.768 1.839 1.00 0.00 O ATOM 140 CB ARG A 11 56.677 -0.224 -0.901 1.00 0.00 C ATOM 141 CG ARG A 11 57.675 -0.017 -2.043 1.00 0.00 C ATOM 142 CD ARG A 11 57.081 -0.571 -3.339 1.00 0.00 C ATOM 143 NE ARG A 11 57.481 0.404 -4.392 1.00 0.00 N ATOM 144 CZ ARG A 11 56.736 0.565 -5.453 1.00 0.00 C ATOM 145 NH1 ARG A 11 55.435 0.546 -5.348 1.00 0.00 N ATOM 146 NH2 ARG A 11 57.293 0.750 -6.618 1.00 0.00 N ATOM 0 H ARG A 11 57.424 -2.389 -1.867 1.00 0.00 H new ATOM 0 HA ARG A 11 57.809 -1.042 0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.688 -0.434 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.592 0.690 -0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 11 57.900 1.043 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.615 -0.520 -1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.467 -1.567 -3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 11 55.996 -0.657 -3.271 1.00 0.00 H new ATOM 0 HE ARG A 11 58.338 0.947 -4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.999 0.405 -4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.855 0.672 -6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 11 58.310 0.769 -6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 11 56.712 0.876 -7.447 1.00 0.00 H new ATOM 160 N ALA A 12 55.198 -2.851 -0.022 1.00 0.00 N ATOM 161 CA ALA A 12 54.005 -3.508 0.584 1.00 0.00 C ATOM 162 C ALA A 12 54.376 -4.166 1.917 1.00 0.00 C ATOM 163 O ALA A 12 53.537 -4.383 2.768 1.00 0.00 O ATOM 164 CB ALA A 12 53.577 -4.563 -0.436 1.00 0.00 C ATOM 0 H ALA A 12 55.384 -3.102 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 12 53.207 -2.797 0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.701 -5.094 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.333 -4.078 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.391 -5.271 -0.591 1.00 0.00 H new ATOM 170 N PHE A 13 55.629 -4.486 2.107 1.00 0.00 N ATOM 171 CA PHE A 13 56.049 -5.127 3.387 1.00 0.00 C ATOM 172 C PHE A 13 55.654 -4.242 4.571 1.00 0.00 C ATOM 173 O PHE A 13 55.040 -4.692 5.519 1.00 0.00 O ATOM 174 CB PHE A 13 57.570 -5.249 3.291 1.00 0.00 C ATOM 175 CG PHE A 13 58.109 -5.844 4.571 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.512 -6.985 5.120 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.209 -5.255 5.209 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.013 -7.537 6.306 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.709 -5.807 6.394 1.00 0.00 C ATOM 180 CZ PHE A 13 59.111 -6.948 6.943 1.00 0.00 C ATOM 0 H PHE A 13 56.378 -4.331 1.432 1.00 0.00 H new ATOM 0 HA PHE A 13 55.574 -6.096 3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.842 -5.877 2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.014 -4.269 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.665 -7.440 4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.671 -4.375 4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.552 -8.417 6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.557 -5.353 6.885 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.497 -7.373 7.858 1.00 0.00 H new ATOM 190 N LEU A 14 56.004 -2.985 4.526 1.00 0.00 N ATOM 191 CA LEU A 14 55.649 -2.071 5.648 1.00 0.00 C ATOM 192 C LEU A 14 54.507 -1.140 5.228 1.00 0.00 C ATOM 193 O LEU A 14 54.430 -0.710 4.095 1.00 0.00 O ATOM 194 CB LEU A 14 56.923 -1.271 5.922 1.00 0.00 C ATOM 195 CG LEU A 14 58.115 -2.225 5.999 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.389 -1.432 6.296 1.00 0.00 C ATOM 197 CD2 LEU A 14 57.879 -3.245 7.115 1.00 0.00 C ATOM 0 H LEU A 14 56.520 -2.552 3.760 1.00 0.00 H new ATOM 0 HA LEU A 14 55.309 -2.610 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.081 -0.537 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.825 -0.718 6.856 1.00 0.00 H new ATOM 0 HG LEU A 14 58.225 -2.744 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.238 -2.114 6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.558 -0.705 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.280 -0.912 7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.728 -3.926 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 14 57.768 -2.724 8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 14 56.972 -3.812 6.904 1.00 0.00 H new ATOM 209 N SER A 15 53.620 -0.830 6.133 1.00 0.00 N ATOM 210 CA SER A 15 52.483 0.071 5.781 1.00 0.00 C ATOM 211 C SER A 15 52.978 1.509 5.610 1.00 0.00 C ATOM 212 O SER A 15 54.150 1.793 5.754 1.00 0.00 O ATOM 213 CB SER A 15 51.520 -0.028 6.964 1.00 0.00 C ATOM 214 OG SER A 15 50.785 -1.241 6.872 1.00 0.00 O ATOM 0 H SER A 15 53.632 -1.160 7.098 1.00 0.00 H new ATOM 0 HA SER A 15 52.007 -0.213 4.842 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.074 0.005 7.902 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.840 0.824 6.966 1.00 0.00 H new ATOM 0 HG SER A 15 50.168 -1.308 7.630 1.00 0.00 H new ATOM 220 N GLU A 16 52.093 2.418 5.303 1.00 0.00 N ATOM 221 CA GLU A 16 52.513 3.836 5.122 1.00 0.00 C ATOM 222 C GLU A 16 53.131 4.375 6.415 1.00 0.00 C ATOM 223 O GLU A 16 53.992 5.232 6.392 1.00 0.00 O ATOM 224 CB GLU A 16 51.223 4.588 4.790 1.00 0.00 C ATOM 225 CG GLU A 16 51.486 6.093 4.834 1.00 0.00 C ATOM 226 CD GLU A 16 50.660 6.725 5.957 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.560 6.252 6.193 1.00 0.00 O ATOM 228 OE2 GLU A 16 51.141 7.669 6.560 1.00 0.00 O ATOM 0 H GLU A 16 51.098 2.240 5.170 1.00 0.00 H new ATOM 0 HA GLU A 16 53.265 3.949 4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.865 4.299 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.441 4.323 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.547 6.283 4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.225 6.546 3.878 1.00 0.00 H new ATOM 235 N GLU A 17 52.698 3.880 7.543 1.00 0.00 N ATOM 236 CA GLU A 17 53.264 4.365 8.834 1.00 0.00 C ATOM 237 C GLU A 17 54.777 4.137 8.867 1.00 0.00 C ATOM 238 O GLU A 17 55.554 5.069 8.937 1.00 0.00 O ATOM 239 CB GLU A 17 52.570 3.529 9.910 1.00 0.00 C ATOM 240 CG GLU A 17 53.190 3.839 11.275 1.00 0.00 C ATOM 241 CD GLU A 17 52.997 2.641 12.208 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.861 2.238 12.394 1.00 0.00 O ATOM 243 OE2 GLU A 17 53.988 2.149 12.721 1.00 0.00 O ATOM 0 H GLU A 17 51.978 3.162 7.626 1.00 0.00 H new ATOM 0 HA GLU A 17 53.102 5.433 8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.503 3.749 9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.673 2.468 9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 17 54.252 4.058 11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.725 4.726 11.704 1.00 0.00 H new ATOM 250 N MET A 18 55.203 2.904 8.817 1.00 0.00 N ATOM 251 CA MET A 18 56.667 2.620 8.845 1.00 0.00 C ATOM 252 C MET A 18 57.342 3.213 7.606 1.00 0.00 C ATOM 253 O MET A 18 58.342 3.897 7.701 1.00 0.00 O ATOM 254 CB MET A 18 56.778 1.095 8.838 1.00 0.00 C ATOM 255 CG MET A 18 58.254 0.691 8.834 1.00 0.00 C ATOM 256 SD MET A 18 59.052 1.306 10.336 1.00 0.00 S ATOM 257 CE MET A 18 58.079 0.343 11.520 1.00 0.00 C ATOM 0 H MET A 18 54.602 2.082 8.758 1.00 0.00 H new ATOM 0 HA MET A 18 57.156 3.058 9.715 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.279 0.679 9.713 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.276 0.687 7.961 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.345 -0.394 8.779 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.751 1.097 7.953 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.683 0.133 12.403 1.00 0.00 H new ATOM 0 HE2 MET A 18 57.195 0.911 11.812 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.771 -0.596 11.060 1.00 0.00 H new ATOM 267 N ILE A 19 56.802 2.962 6.443 1.00 0.00 N ATOM 268 CA ILE A 19 57.414 3.516 5.202 1.00 0.00 C ATOM 269 C ILE A 19 57.816 4.976 5.429 1.00 0.00 C ATOM 270 O ILE A 19 58.841 5.428 4.960 1.00 0.00 O ATOM 271 CB ILE A 19 56.318 3.417 4.141 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.212 1.968 3.657 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.664 4.322 2.958 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.938 1.797 2.829 1.00 0.00 C ATOM 0 H ILE A 19 55.964 2.398 6.300 1.00 0.00 H new ATOM 0 HA ILE A 19 58.314 2.978 4.904 1.00 0.00 H new ATOM 0 HB ILE A 19 55.367 3.732 4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.085 1.709 3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.198 1.289 4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.881 4.249 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.744 5.354 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.614 4.009 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.863 0.765 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.070 2.039 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.971 2.465 1.968 1.00 0.00 H new ATOM 286 N ALA A 20 57.017 5.714 6.150 1.00 0.00 N ATOM 287 CA ALA A 20 57.357 7.140 6.413 1.00 0.00 C ATOM 288 C ALA A 20 58.563 7.221 7.350 1.00 0.00 C ATOM 289 O ALA A 20 59.378 8.116 7.254 1.00 0.00 O ATOM 290 CB ALA A 20 56.114 7.727 7.084 1.00 0.00 C ATOM 0 H ALA A 20 56.144 5.391 6.568 1.00 0.00 H new ATOM 0 HA ALA A 20 57.619 7.681 5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.285 8.779 7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.260 7.635 6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.909 7.186 8.008 1.00 0.00 H new ATOM 296 N GLU A 21 58.685 6.285 8.251 1.00 0.00 N ATOM 297 CA GLU A 21 59.842 6.300 9.190 1.00 0.00 C ATOM 298 C GLU A 21 61.151 6.208 8.403 1.00 0.00 C ATOM 299 O GLU A 21 62.100 6.918 8.672 1.00 0.00 O ATOM 300 CB GLU A 21 59.655 5.064 10.070 1.00 0.00 C ATOM 301 CG GLU A 21 60.890 4.875 10.954 1.00 0.00 C ATOM 302 CD GLU A 21 60.451 4.516 12.374 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.696 3.568 12.517 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.877 5.194 13.294 1.00 0.00 O ATOM 0 H GLU A 21 58.033 5.511 8.377 1.00 0.00 H new ATOM 0 HA GLU A 21 59.887 7.214 9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.765 5.177 10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.501 4.182 9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.524 4.087 10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.485 5.788 10.966 1.00 0.00 H new ATOM 311 N PHE A 22 61.206 5.341 7.429 1.00 0.00 N ATOM 312 CA PHE A 22 62.450 5.206 6.621 1.00 0.00 C ATOM 313 C PHE A 22 62.637 6.450 5.748 1.00 0.00 C ATOM 314 O PHE A 22 63.741 6.808 5.387 1.00 0.00 O ATOM 315 CB PHE A 22 62.228 3.965 5.751 1.00 0.00 C ATOM 316 CG PHE A 22 62.105 2.729 6.621 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.220 2.825 8.016 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.880 1.482 6.025 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.107 1.676 8.809 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.767 0.334 6.820 1.00 0.00 C ATOM 321 CZ PHE A 22 61.881 0.431 8.210 1.00 0.00 C ATOM 0 H PHE A 22 60.443 4.721 7.158 1.00 0.00 H new ATOM 0 HA PHE A 22 63.342 5.109 7.240 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.325 4.088 5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.058 3.847 5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.396 3.785 8.478 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.793 1.405 4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.194 1.751 9.883 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.592 -0.627 6.359 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.795 -0.455 8.822 1.00 0.00 H new ATOM 331 N LYS A 23 61.564 7.111 5.408 1.00 0.00 N ATOM 332 CA LYS A 23 61.676 8.333 4.562 1.00 0.00 C ATOM 333 C LYS A 23 62.504 9.398 5.285 1.00 0.00 C ATOM 334 O LYS A 23 63.601 9.727 4.879 1.00 0.00 O ATOM 335 CB LYS A 23 60.236 8.813 4.367 1.00 0.00 C ATOM 336 CG LYS A 23 60.158 9.713 3.132 1.00 0.00 C ATOM 337 CD LYS A 23 60.383 8.874 1.873 1.00 0.00 C ATOM 338 CE LYS A 23 59.759 9.583 0.668 1.00 0.00 C ATOM 339 NZ LYS A 23 58.804 8.597 0.094 1.00 0.00 N ATOM 0 H LYS A 23 60.614 6.857 5.680 1.00 0.00 H new ATOM 0 HA LYS A 23 62.171 8.135 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.570 7.958 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.901 9.359 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.185 10.202 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.908 10.501 3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.450 8.725 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.939 7.886 1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.249 10.498 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 23 60.519 9.867 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 58.336 9.011 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.319 7.739 -0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.088 8.351 0.807 1.00 0.00 H new ATOM 353 N ALA A 24 61.992 9.936 6.359 1.00 0.00 N ATOM 354 CA ALA A 24 62.758 10.973 7.108 1.00 0.00 C ATOM 355 C ALA A 24 64.139 10.431 7.481 1.00 0.00 C ATOM 356 O ALA A 24 65.083 11.175 7.658 1.00 0.00 O ATOM 357 CB ALA A 24 61.930 11.249 8.364 1.00 0.00 C ATOM 0 H ALA A 24 61.079 9.703 6.749 1.00 0.00 H new ATOM 0 HA ALA A 24 62.917 11.878 6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.429 12.005 8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.942 11.609 8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.828 10.330 8.941 1.00 0.00 H new ATOM 363 N ALA A 25 64.264 9.137 7.597 1.00 0.00 N ATOM 364 CA ALA A 25 65.584 8.542 7.951 1.00 0.00 C ATOM 365 C ALA A 25 66.451 8.408 6.698 1.00 0.00 C ATOM 366 O ALA A 25 67.644 8.634 6.728 1.00 0.00 O ATOM 367 CB ALA A 25 65.256 7.162 8.526 1.00 0.00 C ATOM 0 H ALA A 25 63.508 8.466 7.462 1.00 0.00 H new ATOM 0 HA ALA A 25 66.139 9.156 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.179 6.658 8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.618 7.275 9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.737 6.568 7.774 1.00 0.00 H new ATOM 373 N PHE A 26 65.856 8.047 5.593 1.00 0.00 N ATOM 374 CA PHE A 26 66.643 7.903 4.334 1.00 0.00 C ATOM 375 C PHE A 26 67.114 9.278 3.852 1.00 0.00 C ATOM 376 O PHE A 26 68.211 9.428 3.350 1.00 0.00 O ATOM 377 CB PHE A 26 65.669 7.284 3.329 1.00 0.00 C ATOM 378 CG PHE A 26 66.213 7.451 1.929 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.132 8.695 1.291 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.798 6.365 1.271 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.637 8.852 -0.004 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.304 6.521 -0.025 1.00 0.00 C ATOM 383 CZ PHE A 26 67.224 7.765 -0.663 1.00 0.00 C ATOM 0 H PHE A 26 64.860 7.846 5.508 1.00 0.00 H new ATOM 0 HA PHE A 26 67.534 7.289 4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.525 6.227 3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.693 7.763 3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.679 9.534 1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.860 5.405 1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.574 9.812 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.756 5.682 -0.533 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.615 7.886 -1.663 1.00 0.00 H new ATOM 393 N ASP A 27 66.292 10.280 3.998 1.00 0.00 N ATOM 394 CA ASP A 27 66.691 11.645 3.547 1.00 0.00 C ATOM 395 C ASP A 27 67.938 12.110 4.304 1.00 0.00 C ATOM 396 O ASP A 27 68.573 13.079 3.938 1.00 0.00 O ATOM 397 CB ASP A 27 65.495 12.537 3.884 1.00 0.00 C ATOM 398 CG ASP A 27 64.791 12.959 2.592 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.748 12.155 1.675 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.309 14.079 2.542 1.00 0.00 O ATOM 0 H ASP A 27 65.361 10.214 4.410 1.00 0.00 H new ATOM 0 HA ASP A 27 66.936 11.674 2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.800 12.002 4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.828 13.418 4.433 1.00 0.00 H new ATOM 405 N MET A 28 68.293 11.426 5.356 1.00 0.00 N ATOM 406 CA MET A 28 69.498 11.827 6.136 1.00 0.00 C ATOM 407 C MET A 28 70.705 11.974 5.208 1.00 0.00 C ATOM 408 O MET A 28 71.645 12.686 5.505 1.00 0.00 O ATOM 409 CB MET A 28 69.721 10.688 7.131 1.00 0.00 C ATOM 410 CG MET A 28 68.720 10.813 8.282 1.00 0.00 C ATOM 411 SD MET A 28 69.563 11.456 9.749 1.00 0.00 S ATOM 412 CE MET A 28 69.814 9.868 10.579 1.00 0.00 C ATOM 0 H MET A 28 67.800 10.606 5.710 1.00 0.00 H new ATOM 0 HA MET A 28 69.366 12.786 6.637 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.600 9.726 6.632 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.740 10.721 7.516 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.904 11.478 7.998 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.278 9.841 8.501 1.00 0.00 H new ATOM 0 HE1 MET A 28 70.329 10.030 11.526 1.00 0.00 H new ATOM 0 HE2 MET A 28 68.848 9.399 10.767 1.00 0.00 H new ATOM 0 HE3 MET A 28 70.416 9.217 9.945 1.00 0.00 H new ATOM 422 N PHE A 29 70.691 11.305 4.088 1.00 0.00 N ATOM 423 CA PHE A 29 71.844 11.409 3.144 1.00 0.00 C ATOM 424 C PHE A 29 71.342 11.800 1.752 1.00 0.00 C ATOM 425 O PHE A 29 71.748 11.237 0.754 1.00 0.00 O ATOM 426 CB PHE A 29 72.479 10.013 3.111 1.00 0.00 C ATOM 427 CG PHE A 29 72.407 9.382 4.482 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.263 8.671 4.862 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.479 9.514 5.373 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.190 8.090 6.133 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.406 8.933 6.645 1.00 0.00 C ATOM 432 CZ PHE A 29 72.261 8.222 7.025 1.00 0.00 C ATOM 0 H PHE A 29 69.934 10.692 3.785 1.00 0.00 H new ATOM 0 HA PHE A 29 72.562 12.167 3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.962 9.386 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.518 10.084 2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.436 8.571 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.361 10.063 5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.308 7.540 6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.233 9.033 7.333 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.204 7.775 8.007 1.00 0.00 H new ATOM 442 N ASP A 30 70.460 12.758 1.677 1.00 0.00 N ATOM 443 CA ASP A 30 69.931 13.182 0.351 1.00 0.00 C ATOM 444 C ASP A 30 71.054 13.789 -0.496 1.00 0.00 C ATOM 445 O ASP A 30 71.286 14.981 -0.477 1.00 0.00 O ATOM 446 CB ASP A 30 68.867 14.234 0.666 1.00 0.00 C ATOM 447 CG ASP A 30 69.510 15.400 1.420 1.00 0.00 C ATOM 448 OD1 ASP A 30 69.802 15.232 2.593 1.00 0.00 O ATOM 449 OD2 ASP A 30 69.699 16.441 0.813 1.00 0.00 O ATOM 0 H ASP A 30 70.083 13.266 2.477 1.00 0.00 H new ATOM 0 HA ASP A 30 69.521 12.347 -0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.410 14.592 -0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.071 13.793 1.266 1.00 0.00 H new ATOM 490 N GLY A 35 65.444 11.991 -2.722 1.00 0.00 N ATOM 491 CA GLY A 35 64.932 11.066 -3.773 1.00 0.00 C ATOM 492 C GLY A 35 65.915 9.910 -3.963 1.00 0.00 C ATOM 493 O GLY A 35 65.525 8.790 -4.225 1.00 0.00 O ATOM 0 HA2 GLY A 35 63.953 10.681 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.801 11.603 -4.712 1.00 0.00 H new ATOM 497 N ASP A 36 67.186 10.171 -3.834 1.00 0.00 N ATOM 498 CA ASP A 36 68.191 9.083 -4.009 1.00 0.00 C ATOM 499 C ASP A 36 69.526 9.482 -3.375 1.00 0.00 C ATOM 500 O ASP A 36 70.108 10.492 -3.716 1.00 0.00 O ATOM 501 CB ASP A 36 68.344 8.925 -5.522 1.00 0.00 C ATOM 502 CG ASP A 36 68.648 10.287 -6.149 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.800 10.687 -6.118 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.724 10.905 -6.651 1.00 0.00 O ATOM 0 H ASP A 36 67.573 11.089 -3.615 1.00 0.00 H new ATOM 0 HA ASP A 36 67.879 8.155 -3.530 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.147 8.222 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.430 8.512 -5.949 1.00 0.00 H new ATOM 509 N ILE A 37 70.016 8.694 -2.458 1.00 0.00 N ATOM 510 CA ILE A 37 71.315 9.025 -1.807 1.00 0.00 C ATOM 511 C ILE A 37 72.456 8.278 -2.506 1.00 0.00 C ATOM 512 O ILE A 37 72.231 7.354 -3.260 1.00 0.00 O ATOM 513 CB ILE A 37 71.165 8.557 -0.359 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.025 7.033 -0.324 1.00 0.00 C ATOM 515 CG2 ILE A 37 69.918 9.195 0.256 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.233 6.535 1.107 1.00 0.00 C ATOM 0 H ILE A 37 69.573 7.835 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 37 71.551 10.088 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 37 72.046 8.854 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.039 6.739 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 37 71.756 6.574 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 37 69.810 8.862 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.016 10.280 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.038 8.898 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.133 5.450 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.229 6.816 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.485 6.984 1.761 1.00 0.00 H new ATOM 528 N SER A 38 73.676 8.675 -2.267 1.00 0.00 N ATOM 529 CA SER A 38 74.822 7.985 -2.926 1.00 0.00 C ATOM 530 C SER A 38 74.775 6.484 -2.636 1.00 0.00 C ATOM 531 O SER A 38 74.771 6.060 -1.498 1.00 0.00 O ATOM 532 CB SER A 38 76.071 8.610 -2.307 1.00 0.00 C ATOM 533 OG SER A 38 77.071 7.611 -2.157 1.00 0.00 O ATOM 0 H SER A 38 73.929 9.444 -1.647 1.00 0.00 H new ATOM 0 HA SER A 38 74.803 8.100 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.439 9.417 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 38 75.830 9.048 -1.338 1.00 0.00 H new ATOM 0 HG SER A 38 77.517 7.463 -3.017 1.00 0.00 H new ATOM 539 N THR A 39 74.739 5.675 -3.659 1.00 0.00 N ATOM 540 CA THR A 39 74.693 4.201 -3.442 1.00 0.00 C ATOM 541 C THR A 39 75.720 3.796 -2.381 1.00 0.00 C ATOM 542 O THR A 39 75.557 2.808 -1.691 1.00 0.00 O ATOM 543 CB THR A 39 75.048 3.589 -4.798 1.00 0.00 C ATOM 544 OG1 THR A 39 76.292 4.114 -5.241 1.00 0.00 O ATOM 545 CG2 THR A 39 73.957 3.929 -5.814 1.00 0.00 C ATOM 0 H THR A 39 74.739 5.970 -4.635 1.00 0.00 H new ATOM 0 HA THR A 39 73.719 3.863 -3.088 1.00 0.00 H new ATOM 0 HB THR A 39 75.125 2.506 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.377 3.982 -6.208 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.211 3.493 -6.780 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.004 3.526 -5.473 1.00 0.00 H new ATOM 0 HG23 THR A 39 73.878 5.011 -5.914 1.00 0.00 H new ATOM 553 N LYS A 40 76.773 4.553 -2.242 1.00 0.00 N ATOM 554 CA LYS A 40 77.805 4.212 -1.221 1.00 0.00 C ATOM 555 C LYS A 40 77.240 4.433 0.185 1.00 0.00 C ATOM 556 O LYS A 40 77.783 3.966 1.166 1.00 0.00 O ATOM 557 CB LYS A 40 78.963 5.175 -1.492 1.00 0.00 C ATOM 558 CG LYS A 40 79.908 4.561 -2.527 1.00 0.00 C ATOM 559 CD LYS A 40 80.767 5.661 -3.153 1.00 0.00 C ATOM 560 CE LYS A 40 81.442 5.125 -4.419 1.00 0.00 C ATOM 561 NZ LYS A 40 82.649 5.979 -4.603 1.00 0.00 N ATOM 0 H LYS A 40 76.964 5.392 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 40 78.121 3.171 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.579 6.128 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.503 5.380 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.545 3.813 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.334 4.049 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 40 80.149 6.525 -3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.521 5.998 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.714 4.076 -4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 40 80.776 5.192 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.165 5.672 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 82.358 6.971 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.267 5.890 -3.771 1.00 0.00 H new ATOM 575 N GLU A 41 76.148 5.140 0.284 1.00 0.00 N ATOM 576 CA GLU A 41 75.536 5.394 1.620 1.00 0.00 C ATOM 577 C GLU A 41 74.479 4.327 1.922 1.00 0.00 C ATOM 578 O GLU A 41 73.998 4.209 3.031 1.00 0.00 O ATOM 579 CB GLU A 41 74.890 6.775 1.493 1.00 0.00 C ATOM 580 CG GLU A 41 74.237 7.164 2.821 1.00 0.00 C ATOM 581 CD GLU A 41 75.263 7.869 3.710 1.00 0.00 C ATOM 582 OE1 GLU A 41 75.427 9.069 3.556 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.865 7.199 4.532 1.00 0.00 O ATOM 0 H GLU A 41 75.651 5.554 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 41 76.264 5.357 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.641 7.514 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.144 6.766 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.385 7.820 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.854 6.276 3.324 1.00 0.00 H new ATOM 590 N LEU A 42 74.115 3.550 0.939 1.00 0.00 N ATOM 591 CA LEU A 42 73.089 2.490 1.162 1.00 0.00 C ATOM 592 C LEU A 42 73.374 1.733 2.463 1.00 0.00 C ATOM 593 O LEU A 42 72.469 1.323 3.163 1.00 0.00 O ATOM 594 CB LEU A 42 73.222 1.556 -0.041 1.00 0.00 C ATOM 595 CG LEU A 42 71.831 1.160 -0.535 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.699 1.501 -2.021 1.00 0.00 C ATOM 597 CD2 LEU A 42 71.635 -0.345 -0.339 1.00 0.00 C ATOM 0 H LEU A 42 74.484 3.603 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 42 72.084 2.903 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.776 2.050 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.788 0.667 0.236 1.00 0.00 H new ATOM 0 HG LEU A 42 71.075 1.705 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.707 1.218 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.843 2.572 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.454 0.956 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.644 -0.632 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.392 -0.887 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.730 -0.590 0.719 1.00 0.00 H new ATOM 609 N GLY A 43 74.622 1.541 2.791 1.00 0.00 N ATOM 610 CA GLY A 43 74.958 0.808 4.044 1.00 0.00 C ATOM 611 C GLY A 43 74.524 1.634 5.256 1.00 0.00 C ATOM 612 O GLY A 43 74.006 1.111 6.222 1.00 0.00 O ATOM 0 H GLY A 43 75.423 1.860 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.459 -0.161 4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.030 0.615 4.088 1.00 0.00 H new ATOM 616 N THR A 44 74.734 2.921 5.215 1.00 0.00 N ATOM 617 CA THR A 44 74.334 3.779 6.367 1.00 0.00 C ATOM 618 C THR A 44 72.808 3.838 6.484 1.00 0.00 C ATOM 619 O THR A 44 72.246 3.590 7.532 1.00 0.00 O ATOM 620 CB THR A 44 74.900 5.164 6.046 1.00 0.00 C ATOM 621 OG1 THR A 44 76.316 5.089 5.963 1.00 0.00 O ATOM 622 CG2 THR A 44 74.501 6.147 7.148 1.00 0.00 C ATOM 0 H THR A 44 75.165 3.416 4.434 1.00 0.00 H new ATOM 0 HA THR A 44 74.709 3.394 7.315 1.00 0.00 H new ATOM 0 HB THR A 44 74.500 5.509 5.093 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.650 5.818 5.400 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.904 7.133 6.919 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.414 6.204 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.900 5.805 8.103 1.00 0.00 H new ATOM 630 N VAL A 45 72.134 4.167 5.415 1.00 0.00 N ATOM 631 CA VAL A 45 70.644 4.246 5.467 1.00 0.00 C ATOM 632 C VAL A 45 70.059 2.926 5.977 1.00 0.00 C ATOM 633 O VAL A 45 69.007 2.896 6.584 1.00 0.00 O ATOM 634 CB VAL A 45 70.211 4.504 4.022 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.555 3.290 3.159 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.701 4.748 3.978 1.00 0.00 C ATOM 0 H VAL A 45 72.549 4.384 4.509 1.00 0.00 H new ATOM 0 HA VAL A 45 70.296 5.027 6.143 1.00 0.00 H new ATOM 0 HB VAL A 45 70.734 5.381 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.246 3.476 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.631 3.115 3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.034 2.412 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.392 4.932 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.179 3.871 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.454 5.615 4.591 1.00 0.00 H new ATOM 646 N MET A 46 70.733 1.834 5.738 1.00 0.00 N ATOM 647 CA MET A 46 70.214 0.518 6.211 1.00 0.00 C ATOM 648 C MET A 46 70.512 0.336 7.702 1.00 0.00 C ATOM 649 O MET A 46 69.652 -0.032 8.478 1.00 0.00 O ATOM 650 CB MET A 46 70.966 -0.525 5.384 1.00 0.00 C ATOM 651 CG MET A 46 70.311 -0.655 4.007 1.00 0.00 C ATOM 652 SD MET A 46 71.383 -1.629 2.921 1.00 0.00 S ATOM 653 CE MET A 46 70.229 -2.993 2.630 1.00 0.00 C ATOM 0 H MET A 46 71.620 1.796 5.236 1.00 0.00 H new ATOM 0 HA MET A 46 69.134 0.433 6.090 1.00 0.00 H new ATOM 0 HB2 MET A 46 72.011 -0.234 5.275 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.955 -1.487 5.896 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.336 -1.134 4.099 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.141 0.333 3.578 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.521 -3.530 1.728 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.249 -3.674 3.481 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.221 -2.597 2.506 1.00 0.00 H new ATOM 663 N ARG A 47 71.727 0.589 8.107 1.00 0.00 N ATOM 664 CA ARG A 47 72.083 0.430 9.545 1.00 0.00 C ATOM 665 C ARG A 47 71.439 1.537 10.381 1.00 0.00 C ATOM 666 O ARG A 47 71.066 1.333 11.519 1.00 0.00 O ATOM 667 CB ARG A 47 73.607 0.547 9.588 1.00 0.00 C ATOM 668 CG ARG A 47 74.230 -0.848 9.517 1.00 0.00 C ATOM 669 CD ARG A 47 75.684 -0.781 9.987 1.00 0.00 C ATOM 670 NE ARG A 47 76.433 -1.652 9.041 1.00 0.00 N ATOM 671 CZ ARG A 47 77.560 -2.199 9.408 1.00 0.00 C ATOM 672 NH1 ARG A 47 78.163 -1.786 10.490 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.083 -3.159 8.696 1.00 0.00 N ATOM 0 H ARG A 47 72.489 0.899 7.503 1.00 0.00 H new ATOM 0 HA ARG A 47 71.731 -0.518 9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.959 1.156 8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.918 1.049 10.504 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.666 -1.542 10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.184 -1.227 8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.060 0.242 9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.784 -1.135 11.013 1.00 0.00 H new ATOM 0 HE ARG A 47 76.065 -1.822 8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.753 -1.037 11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 47 79.044 -2.213 10.778 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.611 -3.483 7.852 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.964 -3.586 8.984 1.00 0.00 H new ATOM 687 N MET A 48 71.305 2.712 9.827 1.00 0.00 N ATOM 688 CA MET A 48 70.687 3.831 10.593 1.00 0.00 C ATOM 689 C MET A 48 69.197 3.562 10.818 1.00 0.00 C ATOM 690 O MET A 48 68.522 4.298 11.509 1.00 0.00 O ATOM 691 CB MET A 48 70.881 5.067 9.714 1.00 0.00 C ATOM 692 CG MET A 48 72.284 5.635 9.936 1.00 0.00 C ATOM 693 SD MET A 48 72.338 6.509 11.520 1.00 0.00 S ATOM 694 CE MET A 48 73.909 5.825 12.100 1.00 0.00 C ATOM 0 H MET A 48 71.597 2.945 8.878 1.00 0.00 H new ATOM 0 HA MET A 48 71.138 3.955 11.577 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.745 4.805 8.665 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.130 5.819 9.955 1.00 0.00 H new ATOM 0 HG2 MET A 48 73.019 4.830 9.927 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.545 6.314 9.125 1.00 0.00 H new ATOM 0 HE1 MET A 48 74.144 6.236 13.082 1.00 0.00 H new ATOM 0 HE2 MET A 48 73.830 4.740 12.170 1.00 0.00 H new ATOM 0 HE3 MET A 48 74.701 6.086 11.398 1.00 0.00 H new ATOM 704 N LEU A 49 68.678 2.513 10.242 1.00 0.00 N ATOM 705 CA LEU A 49 67.231 2.203 10.427 1.00 0.00 C ATOM 706 C LEU A 49 67.053 1.118 11.492 1.00 0.00 C ATOM 707 O LEU A 49 66.161 1.183 12.313 1.00 0.00 O ATOM 708 CB LEU A 49 66.751 1.705 9.064 1.00 0.00 C ATOM 709 CG LEU A 49 66.702 2.877 8.081 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.454 2.346 6.667 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.567 3.826 8.473 1.00 0.00 C ATOM 0 H LEU A 49 69.191 1.858 9.652 1.00 0.00 H new ATOM 0 HA LEU A 49 66.664 3.071 10.763 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.422 0.931 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.764 1.253 9.157 1.00 0.00 H new ATOM 0 HG LEU A 49 67.651 3.413 8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.419 3.180 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.261 1.669 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.505 1.810 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.532 4.661 7.773 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.618 3.290 8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.741 4.205 9.480 1.00 0.00 H new ATOM 723 N GLY A 50 67.896 0.119 11.488 1.00 0.00 N ATOM 724 CA GLY A 50 67.766 -0.962 12.506 1.00 0.00 C ATOM 725 C GLY A 50 68.228 -2.295 11.914 1.00 0.00 C ATOM 726 O GLY A 50 68.493 -3.242 12.630 1.00 0.00 O ATOM 0 H GLY A 50 68.665 0.006 10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.362 -0.719 13.385 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.730 -1.040 12.835 1.00 0.00 H new ATOM 730 N GLN A 51 68.326 -2.384 10.616 1.00 0.00 N ATOM 731 CA GLN A 51 68.769 -3.664 9.992 1.00 0.00 C ATOM 732 C GLN A 51 70.297 -3.769 10.025 1.00 0.00 C ATOM 733 O GLN A 51 70.976 -2.915 10.561 1.00 0.00 O ATOM 734 CB GLN A 51 68.267 -3.602 8.549 1.00 0.00 C ATOM 735 CG GLN A 51 66.821 -3.103 8.532 1.00 0.00 C ATOM 736 CD GLN A 51 66.776 -1.684 7.961 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.165 -0.805 8.536 1.00 0.00 O ATOM 738 NE2 GLN A 51 67.401 -1.424 6.846 1.00 0.00 N ATOM 0 H GLN A 51 68.119 -1.629 9.962 1.00 0.00 H new ATOM 0 HA GLN A 51 68.379 -4.534 10.520 1.00 0.00 H new ATOM 0 HB2 GLN A 51 68.899 -2.937 7.961 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.328 -4.588 8.089 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.203 -3.768 7.929 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.410 -3.113 9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 51 67.914 -2.163 6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 51 67.377 -0.482 6.456 1.00 0.00 H new ATOM 747 N ASN A 52 70.841 -4.810 9.457 1.00 0.00 N ATOM 748 CA ASN A 52 72.324 -4.970 9.457 1.00 0.00 C ATOM 749 C ASN A 52 72.779 -5.698 8.190 1.00 0.00 C ATOM 750 O ASN A 52 72.945 -6.901 8.190 1.00 0.00 O ATOM 751 CB ASN A 52 72.631 -5.812 10.697 1.00 0.00 C ATOM 752 CG ASN A 52 73.634 -5.071 11.583 1.00 0.00 C ATOM 753 OD1 ASN A 52 73.285 -4.116 12.249 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.875 -5.473 11.620 1.00 0.00 N ATOM 0 H ASN A 52 70.324 -5.557 8.993 1.00 0.00 H new ATOM 0 HA ASN A 52 72.842 -4.011 9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 52 71.714 -6.007 11.253 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.037 -6.779 10.401 1.00 0.00 H new ATOM 0 HD21 ASN A 52 75.552 -4.986 12.208 1.00 0.00 H new ATOM 0 HD22 ASN A 52 75.168 -6.274 11.061 1.00 0.00 H new ATOM 761 N PRO A 53 72.966 -4.936 7.147 1.00 0.00 N ATOM 762 CA PRO A 53 73.409 -5.511 5.853 1.00 0.00 C ATOM 763 C PRO A 53 74.884 -5.918 5.926 1.00 0.00 C ATOM 764 O PRO A 53 75.697 -5.235 6.514 1.00 0.00 O ATOM 765 CB PRO A 53 73.210 -4.364 4.866 1.00 0.00 C ATOM 766 CG PRO A 53 73.276 -3.121 5.695 1.00 0.00 C ATOM 767 CD PRO A 53 72.787 -3.482 7.075 1.00 0.00 C ATOM 0 HA PRO A 53 72.860 -6.410 5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 53 73.983 -4.367 4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.251 -4.446 4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.296 -2.739 5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.658 -2.335 5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.361 -2.971 7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.743 -3.201 7.215 1.00 0.00 H new ATOM 775 N THR A 54 75.232 -7.026 5.332 1.00 0.00 N ATOM 776 CA THR A 54 76.654 -7.475 5.368 1.00 0.00 C ATOM 777 C THR A 54 77.489 -6.665 4.374 1.00 0.00 C ATOM 778 O THR A 54 77.027 -6.309 3.307 1.00 0.00 O ATOM 779 CB THR A 54 76.615 -8.949 4.961 1.00 0.00 C ATOM 780 OG1 THR A 54 75.552 -9.155 4.040 1.00 0.00 O ATOM 781 CG2 THR A 54 76.395 -9.818 6.200 1.00 0.00 C ATOM 0 H THR A 54 74.595 -7.640 4.824 1.00 0.00 H new ATOM 0 HA THR A 54 77.106 -7.336 6.350 1.00 0.00 H new ATOM 0 HB THR A 54 77.561 -9.222 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.106 -10.005 4.239 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.367 -10.868 5.908 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.211 -9.659 6.905 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.450 -9.548 6.671 1.00 0.00 H new ATOM 789 N LYS A 55 78.714 -6.367 4.713 1.00 0.00 N ATOM 790 CA LYS A 55 79.571 -5.579 3.781 1.00 0.00 C ATOM 791 C LYS A 55 79.456 -6.135 2.361 1.00 0.00 C ATOM 792 O LYS A 55 79.064 -5.442 1.443 1.00 0.00 O ATOM 793 CB LYS A 55 80.996 -5.747 4.311 1.00 0.00 C ATOM 794 CG LYS A 55 81.810 -4.493 3.986 1.00 0.00 C ATOM 795 CD LYS A 55 82.608 -4.068 5.220 1.00 0.00 C ATOM 796 CE LYS A 55 82.328 -2.595 5.529 1.00 0.00 C ATOM 797 NZ LYS A 55 83.225 -1.833 4.614 1.00 0.00 N ATOM 0 H LYS A 55 79.157 -6.634 5.592 1.00 0.00 H new ATOM 0 HA LYS A 55 79.276 -4.531 3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.978 -5.913 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.462 -6.623 3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.485 -4.691 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.146 -3.687 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.334 -4.688 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.674 -4.218 5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 55 81.281 -2.347 5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.540 -2.363 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 83.091 -0.813 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.215 -2.085 4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 82.996 -2.069 3.627 1.00 0.00 H new ATOM 811 N GLU A 56 79.792 -7.382 2.170 1.00 0.00 N ATOM 812 CA GLU A 56 79.697 -7.976 0.806 1.00 0.00 C ATOM 813 C GLU A 56 78.358 -7.602 0.167 1.00 0.00 C ATOM 814 O GLU A 56 78.307 -7.047 -0.913 1.00 0.00 O ATOM 815 CB GLU A 56 79.789 -9.487 1.020 1.00 0.00 C ATOM 816 CG GLU A 56 80.897 -10.062 0.135 1.00 0.00 C ATOM 817 CD GLU A 56 80.936 -11.583 0.287 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.395 -12.075 1.263 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.507 -12.231 -0.575 1.00 0.00 O ATOM 0 H GLU A 56 80.127 -8.014 2.897 1.00 0.00 H new ATOM 0 HA GLU A 56 80.481 -7.615 0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.996 -9.705 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.836 -9.958 0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 56 80.720 -9.795 -0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.859 -9.633 0.415 1.00 0.00 H new ATOM 826 N GLU A 57 77.272 -7.894 0.829 1.00 0.00 N ATOM 827 CA GLU A 57 75.940 -7.545 0.259 1.00 0.00 C ATOM 828 C GLU A 57 75.924 -6.071 -0.151 1.00 0.00 C ATOM 829 O GLU A 57 75.434 -5.713 -1.204 1.00 0.00 O ATOM 830 CB GLU A 57 74.944 -7.800 1.391 1.00 0.00 C ATOM 831 CG GLU A 57 74.454 -9.247 1.324 1.00 0.00 C ATOM 832 CD GLU A 57 72.935 -9.279 1.500 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.264 -8.518 0.823 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.469 -10.062 2.312 1.00 0.00 O ATOM 0 H GLU A 57 77.249 -8.358 1.737 1.00 0.00 H new ATOM 0 HA GLU A 57 75.699 -8.129 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.416 -7.609 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.100 -7.115 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 57 74.730 -9.692 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.934 -9.841 2.102 1.00 0.00 H new ATOM 841 N LEU A 58 76.467 -5.215 0.671 1.00 0.00 N ATOM 842 CA LEU A 58 76.494 -3.765 0.330 1.00 0.00 C ATOM 843 C LEU A 58 77.223 -3.558 -0.998 1.00 0.00 C ATOM 844 O LEU A 58 76.627 -3.211 -1.999 1.00 0.00 O ATOM 845 CB LEU A 58 77.267 -3.106 1.472 1.00 0.00 C ATOM 846 CG LEU A 58 76.382 -2.065 2.156 1.00 0.00 C ATOM 847 CD1 LEU A 58 75.910 -1.036 1.126 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.166 -2.758 2.775 1.00 0.00 C ATOM 0 H LEU A 58 76.894 -5.458 1.565 1.00 0.00 H new ATOM 0 HA LEU A 58 75.495 -3.344 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.583 -3.860 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.171 -2.634 1.088 1.00 0.00 H new ATOM 0 HG LEU A 58 76.953 -1.562 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.279 -0.294 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 58 76.775 -0.541 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 58 75.340 -1.538 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.534 -2.016 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.597 -3.261 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 58 75.500 -3.491 3.510 1.00 0.00 H new ATOM 860 N ASP A 59 78.511 -3.770 -1.017 1.00 0.00 N ATOM 861 CA ASP A 59 79.276 -3.589 -2.283 1.00 0.00 C ATOM 862 C ASP A 59 78.594 -4.359 -3.416 1.00 0.00 C ATOM 863 O ASP A 59 78.470 -3.875 -4.522 1.00 0.00 O ATOM 864 CB ASP A 59 80.662 -4.167 -1.996 1.00 0.00 C ATOM 865 CG ASP A 59 81.714 -3.380 -2.779 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.366 -2.346 -3.326 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.850 -3.826 -2.820 1.00 0.00 O ATOM 0 H ASP A 59 79.066 -4.060 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 59 79.331 -2.545 -2.592 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.875 -4.117 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.695 -5.219 -2.278 1.00 0.00 H new ATOM 872 N ALA A 60 78.146 -5.555 -3.144 1.00 0.00 N ATOM 873 CA ALA A 60 77.466 -6.354 -4.202 1.00 0.00 C ATOM 874 C ALA A 60 76.138 -5.694 -4.579 1.00 0.00 C ATOM 875 O ALA A 60 75.810 -5.556 -5.740 1.00 0.00 O ATOM 876 CB ALA A 60 77.224 -7.726 -3.572 1.00 0.00 C ATOM 0 H ALA A 60 78.222 -6.012 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 60 78.059 -6.427 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.725 -8.374 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 60 78.178 -8.169 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.596 -7.615 -2.688 1.00 0.00 H new ATOM 882 N ILE A 61 75.374 -5.279 -3.605 1.00 0.00 N ATOM 883 CA ILE A 61 74.072 -4.622 -3.908 1.00 0.00 C ATOM 884 C ILE A 61 74.317 -3.260 -4.559 1.00 0.00 C ATOM 885 O ILE A 61 73.741 -2.934 -5.578 1.00 0.00 O ATOM 886 CB ILE A 61 73.385 -4.454 -2.553 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.842 -5.808 -2.088 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.229 -3.460 -2.683 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.340 -5.690 -0.648 1.00 0.00 C ATOM 0 H ILE A 61 75.596 -5.367 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 61 73.463 -5.204 -4.600 1.00 0.00 H new ATOM 0 HB ILE A 61 74.105 -4.079 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 61 72.031 -6.130 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.623 -6.566 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.740 -3.342 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.614 -2.496 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.508 -3.833 -3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.953 -6.654 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.162 -5.387 0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.546 -4.945 -0.599 1.00 0.00 H new ATOM 901 N ILE A 62 75.174 -2.464 -3.979 1.00 0.00 N ATOM 902 CA ILE A 62 75.465 -1.126 -4.567 1.00 0.00 C ATOM 903 C ILE A 62 75.763 -1.267 -6.061 1.00 0.00 C ATOM 904 O ILE A 62 74.971 -0.884 -6.898 1.00 0.00 O ATOM 905 CB ILE A 62 76.699 -0.628 -3.819 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.298 -0.188 -2.409 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.309 0.559 -4.569 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.538 0.285 -1.648 1.00 0.00 C ATOM 0 H ILE A 62 75.685 -2.683 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 62 74.626 -0.437 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 62 77.432 -1.432 -3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.563 0.615 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.827 -1.016 -1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.190 0.914 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.596 0.246 -5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.576 1.363 -4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.251 0.598 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.258 -0.531 -1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.990 1.125 -2.175 1.00 0.00 H new ATOM 920 N GLU A 63 76.897 -1.819 -6.400 1.00 0.00 N ATOM 921 CA GLU A 63 77.240 -1.989 -7.841 1.00 0.00 C ATOM 922 C GLU A 63 76.016 -2.484 -8.612 1.00 0.00 C ATOM 923 O GLU A 63 75.794 -2.118 -9.750 1.00 0.00 O ATOM 924 CB GLU A 63 78.351 -3.039 -7.863 1.00 0.00 C ATOM 925 CG GLU A 63 79.514 -2.534 -8.719 1.00 0.00 C ATOM 926 CD GLU A 63 79.027 -2.285 -10.148 1.00 0.00 C ATOM 927 OE1 GLU A 63 78.308 -1.320 -10.347 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.383 -3.063 -11.018 1.00 0.00 O ATOM 0 H GLU A 63 77.599 -2.159 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 63 77.556 -1.056 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.694 -3.242 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.971 -3.978 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 63 79.918 -1.614 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 63 80.322 -3.266 -8.721 1.00 0.00 H new ATOM 935 N GLU A 64 75.216 -3.311 -7.997 1.00 0.00 N ATOM 936 CA GLU A 64 74.000 -3.828 -8.686 1.00 0.00 C ATOM 937 C GLU A 64 72.949 -2.721 -8.790 1.00 0.00 C ATOM 938 O GLU A 64 72.384 -2.483 -9.839 1.00 0.00 O ATOM 939 CB GLU A 64 73.503 -4.970 -7.793 1.00 0.00 C ATOM 940 CG GLU A 64 72.018 -5.235 -8.062 1.00 0.00 C ATOM 941 CD GLU A 64 71.716 -6.717 -7.839 1.00 0.00 C ATOM 942 OE1 GLU A 64 72.297 -7.290 -6.931 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.909 -7.256 -8.580 1.00 0.00 O ATOM 0 H GLU A 64 75.352 -3.652 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 64 74.203 -4.166 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 64 74.083 -5.873 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.651 -4.714 -6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.403 -4.624 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.766 -4.951 -9.084 1.00 0.00 H new ATOM 950 N VAL A 65 72.684 -2.042 -7.708 1.00 0.00 N ATOM 951 CA VAL A 65 71.670 -0.953 -7.742 1.00 0.00 C ATOM 952 C VAL A 65 72.321 0.360 -8.190 1.00 0.00 C ATOM 953 O VAL A 65 71.680 1.389 -8.261 1.00 0.00 O ATOM 954 CB VAL A 65 71.161 -0.843 -6.305 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.828 -2.239 -5.773 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.242 -0.210 -5.426 1.00 0.00 C ATOM 0 H VAL A 65 73.127 -2.195 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 65 70.862 -1.159 -8.443 1.00 0.00 H new ATOM 0 HB VAL A 65 70.266 -0.222 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.465 -2.161 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 65 70.058 -2.692 -6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.724 -2.860 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.878 -0.132 -4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.138 -0.831 -5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.481 0.784 -5.803 1.00 0.00 H new ATOM 966 N ASP A 66 73.591 0.330 -8.495 1.00 0.00 N ATOM 967 CA ASP A 66 74.281 1.574 -8.941 1.00 0.00 C ATOM 968 C ASP A 66 73.852 1.928 -10.368 1.00 0.00 C ATOM 969 O ASP A 66 74.471 1.519 -11.330 1.00 0.00 O ATOM 970 CB ASP A 66 75.773 1.239 -8.898 1.00 0.00 C ATOM 971 CG ASP A 66 76.553 2.450 -8.381 1.00 0.00 C ATOM 972 OD1 ASP A 66 75.939 3.483 -8.176 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.752 2.322 -8.198 1.00 0.00 O ATOM 0 H ASP A 66 74.180 -0.502 -8.454 1.00 0.00 H new ATOM 0 HA ASP A 66 74.039 2.430 -8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.945 0.379 -8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.124 0.965 -9.893 1.00 0.00 H new ATOM 1030 N THR A 72 73.477 6.748 -8.037 1.00 0.00 N ATOM 1031 CA THR A 72 72.676 6.911 -6.789 1.00 0.00 C ATOM 1032 C THR A 72 71.580 5.844 -6.723 1.00 0.00 C ATOM 1033 O THR A 72 71.301 5.165 -7.692 1.00 0.00 O ATOM 1034 CB THR A 72 72.061 8.307 -6.892 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.622 8.532 -8.224 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.107 9.357 -6.512 1.00 0.00 C ATOM 0 HA THR A 72 73.283 6.799 -5.890 1.00 0.00 H new ATOM 0 HB THR A 72 71.212 8.382 -6.212 1.00 0.00 H new ATOM 0 HG1 THR A 72 72.185 8.024 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.667 10.352 -6.586 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.442 9.183 -5.489 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.958 9.285 -7.190 1.00 0.00 H new ATOM 1044 N ILE A 73 70.957 5.691 -5.587 1.00 0.00 N ATOM 1045 CA ILE A 73 69.879 4.668 -5.458 1.00 0.00 C ATOM 1046 C ILE A 73 68.510 5.350 -5.376 1.00 0.00 C ATOM 1047 O ILE A 73 68.384 6.447 -4.871 1.00 0.00 O ATOM 1048 CB ILE A 73 70.192 3.929 -4.158 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.060 2.947 -3.844 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.324 4.936 -3.015 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.345 1.606 -4.523 1.00 0.00 C ATOM 0 H ILE A 73 71.147 6.230 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 73 69.844 3.992 -6.312 1.00 0.00 H new ATOM 0 HB ILE A 73 71.128 3.382 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.972 2.810 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.109 3.349 -4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.547 4.407 -2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.130 5.635 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.389 5.484 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.539 0.907 -4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.411 1.751 -5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.288 1.204 -4.152 1.00 0.00 H new ATOM 1063 N ASP A 74 67.485 4.712 -5.872 1.00 0.00 N ATOM 1064 CA ASP A 74 66.128 5.329 -5.824 1.00 0.00 C ATOM 1065 C ASP A 74 65.346 4.802 -4.618 1.00 0.00 C ATOM 1066 O ASP A 74 65.203 3.610 -4.433 1.00 0.00 O ATOM 1067 CB ASP A 74 65.452 4.901 -7.126 1.00 0.00 C ATOM 1068 CG ASP A 74 66.167 5.549 -8.313 1.00 0.00 C ATOM 1069 OD1 ASP A 74 67.085 6.317 -8.079 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.783 5.266 -9.436 1.00 0.00 O ATOM 0 H ASP A 74 67.528 3.791 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 74 66.173 6.413 -5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.478 3.815 -7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.402 5.195 -7.116 1.00 0.00 H new ATOM 1075 N PHE A 75 64.837 5.681 -3.799 1.00 0.00 N ATOM 1076 CA PHE A 75 64.063 5.225 -2.609 1.00 0.00 C ATOM 1077 C PHE A 75 63.122 4.084 -3.003 1.00 0.00 C ATOM 1078 O PHE A 75 63.064 3.061 -2.350 1.00 0.00 O ATOM 1079 CB PHE A 75 63.265 6.450 -2.159 1.00 0.00 C ATOM 1080 CG PHE A 75 62.602 6.155 -0.836 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.463 5.343 -0.790 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.127 6.692 0.346 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.849 5.067 0.438 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.514 6.417 1.573 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.375 5.605 1.619 1.00 0.00 C ATOM 0 H PHE A 75 64.923 6.692 -3.901 1.00 0.00 H new ATOM 0 HA PHE A 75 64.707 4.848 -1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.924 7.313 -2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.514 6.704 -2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 75 61.058 4.929 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 75 64.006 7.319 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.971 4.440 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.919 6.831 2.484 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.901 5.393 2.566 1.00 0.00 H new ATOM 1095 N GLU A 76 62.386 4.249 -4.069 1.00 0.00 N ATOM 1096 CA GLU A 76 61.454 3.169 -4.503 1.00 0.00 C ATOM 1097 C GLU A 76 62.226 1.860 -4.693 1.00 0.00 C ATOM 1098 O GLU A 76 61.892 0.842 -4.120 1.00 0.00 O ATOM 1099 CB GLU A 76 60.880 3.651 -5.836 1.00 0.00 C ATOM 1100 CG GLU A 76 59.503 4.277 -5.603 1.00 0.00 C ATOM 1101 CD GLU A 76 59.246 5.355 -6.657 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.206 5.806 -7.261 1.00 0.00 O ATOM 1103 OE2 GLU A 76 58.095 5.711 -6.843 1.00 0.00 O ATOM 0 H GLU A 76 62.390 5.083 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 76 60.670 2.977 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.551 4.380 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.799 2.816 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.730 3.510 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.454 4.711 -4.604 1.00 0.00 H new ATOM 1110 N GLU A 77 63.259 1.881 -5.490 1.00 0.00 N ATOM 1111 CA GLU A 77 64.054 0.640 -5.711 1.00 0.00 C ATOM 1112 C GLU A 77 64.847 0.298 -4.448 1.00 0.00 C ATOM 1113 O GLU A 77 65.195 -0.841 -4.211 1.00 0.00 O ATOM 1114 CB GLU A 77 64.998 0.974 -6.866 1.00 0.00 C ATOM 1115 CG GLU A 77 66.090 -0.093 -6.958 1.00 0.00 C ATOM 1116 CD GLU A 77 66.831 0.050 -8.288 1.00 0.00 C ATOM 1117 OE1 GLU A 77 67.454 1.080 -8.490 1.00 0.00 O ATOM 1118 OE2 GLU A 77 66.764 -0.873 -9.083 1.00 0.00 O ATOM 0 H GLU A 77 63.587 2.703 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 77 63.427 -0.222 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.442 1.022 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.446 1.956 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.788 0.013 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.650 -1.087 -6.880 1.00 0.00 H new ATOM 1125 N PHE A 78 65.134 1.278 -3.636 1.00 0.00 N ATOM 1126 CA PHE A 78 65.901 1.011 -2.387 1.00 0.00 C ATOM 1127 C PHE A 78 64.998 0.325 -1.358 1.00 0.00 C ATOM 1128 O PHE A 78 65.460 -0.375 -0.479 1.00 0.00 O ATOM 1129 CB PHE A 78 66.333 2.392 -1.890 1.00 0.00 C ATOM 1130 CG PHE A 78 66.776 2.299 -0.450 1.00 0.00 C ATOM 1131 CD1 PHE A 78 68.012 1.722 -0.132 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.952 2.793 0.567 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.421 1.639 1.205 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.362 2.710 1.903 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.596 2.132 2.222 1.00 0.00 C ATOM 0 H PHE A 78 64.870 2.252 -3.784 1.00 0.00 H new ATOM 0 HA PHE A 78 66.754 0.353 -2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.147 2.773 -2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.507 3.097 -1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.649 1.342 -0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.999 3.239 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.374 1.194 1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.726 3.092 2.688 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.911 2.066 3.253 1.00 0.00 H new ATOM 1145 N LEU A 79 63.712 0.520 -1.466 1.00 0.00 N ATOM 1146 CA LEU A 79 62.778 -0.124 -0.498 1.00 0.00 C ATOM 1147 C LEU A 79 63.080 -1.620 -0.390 1.00 0.00 C ATOM 1148 O LEU A 79 62.933 -2.218 0.658 1.00 0.00 O ATOM 1149 CB LEU A 79 61.383 0.103 -1.082 1.00 0.00 C ATOM 1150 CG LEU A 79 60.761 1.351 -0.453 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.926 2.089 -1.499 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.863 0.938 0.716 1.00 0.00 C ATOM 0 H LEU A 79 63.268 1.096 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 79 62.871 0.291 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.445 0.221 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.752 -0.765 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 79 61.552 2.008 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.483 2.978 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.564 2.383 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.135 1.433 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.419 1.826 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.072 0.281 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.457 0.412 1.463 1.00 0.00 H new ATOM 1164 N VAL A 80 63.504 -2.231 -1.463 1.00 0.00 N ATOM 1165 CA VAL A 80 63.816 -3.688 -1.411 1.00 0.00 C ATOM 1166 C VAL A 80 64.997 -3.934 -0.468 1.00 0.00 C ATOM 1167 O VAL A 80 64.983 -4.846 0.333 1.00 0.00 O ATOM 1168 CB VAL A 80 64.175 -4.081 -2.848 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.170 -3.466 -3.824 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.582 -3.577 -3.183 1.00 0.00 C ATOM 0 H VAL A 80 63.647 -1.787 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 80 62.979 -4.277 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 80 64.145 -5.167 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.432 -3.750 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.169 -3.829 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.192 -2.380 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.835 -3.858 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.612 -2.492 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.301 -4.023 -2.496 1.00 0.00 H new ATOM 1180 N MET A 81 66.016 -3.123 -0.554 1.00 0.00 N ATOM 1181 CA MET A 81 67.193 -3.306 0.342 1.00 0.00 C ATOM 1182 C MET A 81 66.749 -3.241 1.804 1.00 0.00 C ATOM 1183 O MET A 81 67.381 -3.797 2.681 1.00 0.00 O ATOM 1184 CB MET A 81 68.129 -2.145 0.011 1.00 0.00 C ATOM 1185 CG MET A 81 69.309 -2.659 -0.816 1.00 0.00 C ATOM 1186 SD MET A 81 68.700 -3.354 -2.372 1.00 0.00 S ATOM 1187 CE MET A 81 68.455 -1.786 -3.241 1.00 0.00 C ATOM 0 H MET A 81 66.084 -2.342 -1.206 1.00 0.00 H new ATOM 0 HA MET A 81 67.680 -4.270 0.198 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.590 -1.377 -0.543 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.490 -1.682 0.929 1.00 0.00 H new ATOM 0 HG2 MET A 81 70.007 -1.846 -1.017 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.856 -3.418 -0.256 1.00 0.00 H new ATOM 0 HE1 MET A 81 68.300 -1.979 -4.303 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.582 -1.277 -2.833 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.336 -1.157 -3.111 1.00 0.00 H new ATOM 1197 N MET A 82 65.663 -2.568 2.072 1.00 0.00 N ATOM 1198 CA MET A 82 65.175 -2.469 3.477 1.00 0.00 C ATOM 1199 C MET A 82 64.442 -3.754 3.866 1.00 0.00 C ATOM 1200 O MET A 82 64.842 -4.457 4.774 1.00 0.00 O ATOM 1201 CB MET A 82 64.213 -1.279 3.479 1.00 0.00 C ATOM 1202 CG MET A 82 64.876 -0.087 2.787 1.00 0.00 C ATOM 1203 SD MET A 82 63.847 1.386 3.006 1.00 0.00 S ATOM 1204 CE MET A 82 64.664 2.016 4.492 1.00 0.00 C ATOM 0 H MET A 82 65.093 -2.083 1.379 1.00 0.00 H new ATOM 0 HA MET A 82 65.987 -2.335 4.192 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.289 -1.544 2.965 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.945 -1.016 4.502 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.868 0.084 3.205 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.009 -0.297 1.726 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.530 3.096 4.550 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.226 1.548 5.374 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.728 1.784 4.448 1.00 0.00 H new ATOM 1214 N VAL A 83 63.375 -4.071 3.184 1.00 0.00 N ATOM 1215 CA VAL A 83 62.624 -5.316 3.515 1.00 0.00 C ATOM 1216 C VAL A 83 63.507 -6.540 3.268 1.00 0.00 C ATOM 1217 O VAL A 83 63.567 -7.448 4.074 1.00 0.00 O ATOM 1218 CB VAL A 83 61.418 -5.323 2.574 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.898 -5.303 1.122 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.594 -6.588 2.819 1.00 0.00 C ATOM 0 H VAL A 83 62.991 -3.523 2.414 1.00 0.00 H new ATOM 0 HA VAL A 83 62.318 -5.347 4.561 1.00 0.00 H new ATOM 0 HB VAL A 83 60.805 -4.442 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 83 61.037 -5.308 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.488 -4.404 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.512 -6.183 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.733 -6.597 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.211 -7.466 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.250 -6.604 3.853 1.00 0.00 H new ATOM 1230 N ARG A 84 64.196 -6.572 2.160 1.00 0.00 N ATOM 1231 CA ARG A 84 65.078 -7.737 1.865 1.00 0.00 C ATOM 1232 C ARG A 84 66.085 -7.926 3.003 1.00 0.00 C ATOM 1233 O ARG A 84 66.464 -9.032 3.335 1.00 0.00 O ATOM 1234 CB ARG A 84 65.795 -7.373 0.565 1.00 0.00 C ATOM 1235 CG ARG A 84 64.770 -7.245 -0.565 1.00 0.00 C ATOM 1236 CD ARG A 84 64.696 -8.564 -1.338 1.00 0.00 C ATOM 1237 NE ARG A 84 66.056 -8.748 -1.915 1.00 0.00 N ATOM 1238 CZ ARG A 84 66.521 -9.951 -2.119 1.00 0.00 C ATOM 1239 NH1 ARG A 84 67.137 -10.582 -1.158 1.00 0.00 N ATOM 1240 NH2 ARG A 84 66.368 -10.522 -3.282 1.00 0.00 N ATOM 0 H ARG A 84 64.186 -5.843 1.447 1.00 0.00 H new ATOM 0 HA ARG A 84 64.521 -8.669 1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.337 -6.435 0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.532 -8.137 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.791 -6.995 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.052 -6.433 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.430 -9.392 -0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.938 -8.521 -2.120 1.00 0.00 H new ATOM 0 HE ARG A 84 66.624 -7.935 -2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 84 67.255 -10.136 -0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 84 67.501 -11.522 -1.316 1.00 0.00 H new ATOM 0 HH21 ARG A 84 65.885 -10.029 -4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 84 66.732 -11.462 -3.441 1.00 0.00 H new ATOM 1254 N GLN A 85 66.516 -6.852 3.607 1.00 0.00 N ATOM 1255 CA GLN A 85 67.491 -6.967 4.728 1.00 0.00 C ATOM 1256 C GLN A 85 66.750 -7.250 6.036 1.00 0.00 C ATOM 1257 O GLN A 85 67.178 -8.052 6.843 1.00 0.00 O ATOM 1258 CB GLN A 85 68.192 -5.608 4.788 1.00 0.00 C ATOM 1259 CG GLN A 85 69.335 -5.665 5.803 1.00 0.00 C ATOM 1260 CD GLN A 85 70.291 -6.801 5.432 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.000 -6.709 4.340 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 70.396 -7.780 6.143 1.00 0.00 N flip ATOM 0 H GLN A 85 66.235 -5.900 3.372 1.00 0.00 H new ATOM 0 HA GLN A 85 68.201 -7.781 4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.579 -5.343 3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.480 -4.832 5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.870 -4.715 5.818 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.938 -5.823 6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 85 69.842 -7.852 6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.038 -8.530 5.887 1.00 0.00 H new ATOM 1271 N MET A 86 65.636 -6.603 6.249 1.00 0.00 N ATOM 1272 CA MET A 86 64.865 -6.842 7.502 1.00 0.00 C ATOM 1273 C MET A 86 64.169 -8.203 7.435 1.00 0.00 C ATOM 1274 O MET A 86 63.787 -8.766 8.440 1.00 0.00 O ATOM 1275 CB MET A 86 63.832 -5.715 7.561 1.00 0.00 C ATOM 1276 CG MET A 86 64.174 -4.769 8.713 1.00 0.00 C ATOM 1277 SD MET A 86 62.764 -4.660 9.843 1.00 0.00 S ATOM 1278 CE MET A 86 62.757 -2.859 10.030 1.00 0.00 C ATOM 0 H MET A 86 65.227 -5.921 5.611 1.00 0.00 H new ATOM 0 HA MET A 86 65.504 -6.850 8.385 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.821 -5.168 6.618 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.834 -6.129 7.701 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.054 -5.131 9.246 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.420 -3.781 8.325 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.887 -2.557 10.613 1.00 0.00 H new ATOM 0 HE2 MET A 86 63.665 -2.543 10.543 1.00 0.00 H new ATOM 0 HE3 MET A 86 62.714 -2.391 9.046 1.00 0.00 H new ATOM 1288 N LYS A 87 64.005 -8.739 6.254 1.00 0.00 N ATOM 1289 CA LYS A 87 63.338 -10.067 6.132 1.00 0.00 C ATOM 1290 C LYS A 87 63.970 -11.049 7.116 1.00 0.00 C ATOM 1291 O LYS A 87 63.313 -11.919 7.652 1.00 0.00 O ATOM 1292 CB LYS A 87 63.587 -10.509 4.689 1.00 0.00 C ATOM 1293 CG LYS A 87 62.475 -9.967 3.789 1.00 0.00 C ATOM 1294 CD LYS A 87 61.734 -11.134 3.132 1.00 0.00 C ATOM 1295 CE LYS A 87 60.257 -10.772 2.969 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.558 -12.079 2.816 1.00 0.00 N ATOM 0 H LYS A 87 64.302 -8.317 5.374 1.00 0.00 H new ATOM 0 HA LYS A 87 62.273 -10.024 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.556 -10.144 4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.618 -11.597 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.780 -9.365 4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.897 -9.314 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.174 -11.358 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 87 61.834 -12.032 3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 87 59.886 -10.224 3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.100 -10.135 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.538 -11.915 2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.927 -12.574 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.720 -12.661 3.663 1.00 0.00 H new ATOM 1310 N GLU A 88 65.241 -10.907 7.364 1.00 0.00 N ATOM 1311 CA GLU A 88 65.921 -11.819 8.324 1.00 0.00 C ATOM 1312 C GLU A 88 65.898 -11.203 9.724 1.00 0.00 C ATOM 1313 O GLU A 88 65.756 -11.891 10.715 1.00 0.00 O ATOM 1314 CB GLU A 88 67.355 -11.941 7.812 1.00 0.00 C ATOM 1315 CG GLU A 88 68.037 -13.136 8.481 1.00 0.00 C ATOM 1316 CD GLU A 88 68.726 -12.678 9.768 1.00 0.00 C ATOM 1317 OE1 GLU A 88 68.492 -11.550 10.172 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.474 -13.461 10.327 1.00 0.00 O ATOM 0 H GLU A 88 65.840 -10.197 6.942 1.00 0.00 H new ATOM 0 HA GLU A 88 65.435 -12.792 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.356 -12.068 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.908 -11.026 8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.302 -13.909 8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 88 68.767 -13.578 7.803 1.00 0.00 H new ATOM 1325 N ASP A 89 66.031 -9.906 9.810 1.00 0.00 N ATOM 1326 CA ASP A 89 66.011 -9.241 11.145 1.00 0.00 C ATOM 1327 C ASP A 89 64.586 -9.228 11.699 1.00 0.00 C ATOM 1328 O ASP A 89 64.372 -9.246 12.895 1.00 0.00 O ATOM 1329 CB ASP A 89 66.499 -7.816 10.887 1.00 0.00 C ATOM 1330 CG ASP A 89 66.858 -7.151 12.216 1.00 0.00 C ATOM 1331 OD1 ASP A 89 66.706 -7.798 13.239 1.00 0.00 O ATOM 1332 OD2 ASP A 89 67.278 -6.006 12.189 1.00 0.00 O ATOM 0 H ASP A 89 66.152 -9.279 9.014 1.00 0.00 H new ATOM 0 HA ASP A 89 66.635 -9.756 11.875 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.368 -7.831 10.230 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.725 -7.242 10.378 1.00 0.00 H new ATOM 1337 N ALA A 90 63.608 -9.199 10.836 1.00 0.00 N ATOM 1338 CA ALA A 90 62.194 -9.187 11.309 1.00 0.00 C ATOM 1339 C ALA A 90 61.704 -10.617 11.551 1.00 0.00 C ATOM 1340 O ALA A 90 61.450 -11.308 10.577 1.00 0.00 O ATOM 1341 CB ALA A 90 61.404 -8.534 10.174 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.595 -10.997 12.705 1.00 0.00 O ATOM 0 H ALA A 90 63.727 -9.183 9.823 1.00 0.00 H new ATOM 0 HA ALA A 90 62.077 -8.649 12.250 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.349 -8.487 10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.780 -7.525 10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.519 -9.123 9.264 1.00 0.00 H new