USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 805 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 86 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 91 GLN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 11:sc= 1.22 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -18:sc= 0.645 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -143:sc= -1.19 (180deg=-2.21!) USER MOD Single : A 31 CYS SG : rot 24:sc= 0.0969 USER MOD Single : A 32 LYS NZ :NH3+ -134:sc= -0.215 (180deg=-1.94!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 40:sc= 0.0582 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00109 USER MOD Single : A 56 HIS : no HD1:sc= -0.49 X(o=-0.49,f=-0.32) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 150:sc= -0.294 (180deg=-1.38) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-7.3!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 169:sc= 0.435 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 32:sc= -0.839 USER MOD Single : A 87 ASN : amide:sc= -0.71 K(o=-0.71,f=-3.5) USER MOD Single : A 92 ASN : amide:sc= -0.728 K(o=-0.73,f=-3.5!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 7:sc= 0.0872 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.856 21.890 -11.236 1.00 0.00 N ATOM 2 CA GLY A 1 17.961 21.365 -9.887 1.00 0.00 C ATOM 3 C GLY A 1 16.606 21.113 -9.256 1.00 0.00 C ATOM 4 O GLY A 1 16.116 19.983 -9.251 1.00 0.00 O ATOM 0 H1 GLY A 1 18.809 22.045 -11.623 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.346 21.210 -11.835 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.338 22.792 -11.218 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.528 20.434 -9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.521 22.067 -9.270 1.00 0.00 H new ATOM 8 N SER A 2 15.999 22.167 -8.720 1.00 0.00 N ATOM 9 CA SER A 2 14.695 22.054 -8.078 1.00 0.00 C ATOM 10 C SER A 2 14.118 23.432 -7.773 1.00 0.00 C ATOM 11 O SER A 2 14.850 24.419 -7.687 1.00 0.00 O ATOM 12 CB SER A 2 14.807 21.238 -6.788 1.00 0.00 C ATOM 13 OG SER A 2 14.848 19.849 -7.065 1.00 0.00 O ATOM 0 H SER A 2 16.390 23.109 -8.718 1.00 0.00 H new ATOM 0 HA SER A 2 14.022 21.542 -8.766 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.706 21.531 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.958 21.458 -6.140 1.00 0.00 H new ATOM 0 HG SER A 2 14.970 19.711 -8.027 1.00 0.00 H new ATOM 19 N SER A 3 12.800 23.493 -7.611 1.00 0.00 N ATOM 20 CA SER A 3 12.122 24.751 -7.319 1.00 0.00 C ATOM 21 C SER A 3 11.491 24.718 -5.931 1.00 0.00 C ATOM 22 O SER A 3 11.644 23.748 -5.189 1.00 0.00 O ATOM 23 CB SER A 3 11.050 25.034 -8.373 1.00 0.00 C ATOM 24 OG SER A 3 11.634 25.282 -9.640 1.00 0.00 O ATOM 0 H SER A 3 12.180 22.686 -7.677 1.00 0.00 H new ATOM 0 HA SER A 3 12.864 25.549 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.370 24.185 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.455 25.895 -8.069 1.00 0.00 H new ATOM 0 HG SER A 3 10.928 25.458 -10.297 1.00 0.00 H new ATOM 30 N GLY A 4 10.780 25.787 -5.586 1.00 0.00 N ATOM 31 CA GLY A 4 10.135 25.862 -4.288 1.00 0.00 C ATOM 32 C GLY A 4 8.823 26.620 -4.335 1.00 0.00 C ATOM 33 O GLY A 4 8.650 27.526 -5.149 1.00 0.00 O ATOM 0 H GLY A 4 10.639 26.603 -6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.955 24.853 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.806 26.348 -3.580 1.00 0.00 H new ATOM 37 N SER A 5 7.894 26.247 -3.460 1.00 0.00 N ATOM 38 CA SER A 5 6.588 26.894 -3.408 1.00 0.00 C ATOM 39 C SER A 5 5.908 26.639 -2.067 1.00 0.00 C ATOM 40 O SER A 5 6.455 25.955 -1.201 1.00 0.00 O ATOM 41 CB SER A 5 5.701 26.389 -4.548 1.00 0.00 C ATOM 42 OG SER A 5 6.315 26.604 -5.806 1.00 0.00 O ATOM 0 H SER A 5 8.022 25.500 -2.777 1.00 0.00 H new ATOM 0 HA SER A 5 6.736 27.968 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.502 25.326 -4.414 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.739 26.900 -4.518 1.00 0.00 H new ATOM 0 HG SER A 5 7.026 27.272 -5.713 1.00 0.00 H new ATOM 48 N SER A 6 4.711 27.193 -1.902 1.00 0.00 N ATOM 49 CA SER A 6 3.957 27.030 -0.666 1.00 0.00 C ATOM 50 C SER A 6 3.829 25.555 -0.298 1.00 0.00 C ATOM 51 O SER A 6 4.389 24.686 -0.966 1.00 0.00 O ATOM 52 CB SER A 6 2.567 27.654 -0.805 1.00 0.00 C ATOM 53 OG SER A 6 1.736 26.867 -1.641 1.00 0.00 O ATOM 0 H SER A 6 4.243 27.759 -2.610 1.00 0.00 H new ATOM 0 HA SER A 6 4.499 27.540 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.109 27.753 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.656 28.659 -1.217 1.00 0.00 H new ATOM 0 HG SER A 6 0.853 27.286 -1.712 1.00 0.00 H new ATOM 59 N GLY A 7 3.088 25.279 0.771 1.00 0.00 N ATOM 60 CA GLY A 7 2.900 23.909 1.211 1.00 0.00 C ATOM 61 C GLY A 7 4.198 23.128 1.245 1.00 0.00 C ATOM 62 O GLY A 7 5.283 23.710 1.209 1.00 0.00 O ATOM 0 H GLY A 7 2.614 25.980 1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.453 23.908 2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.197 23.410 0.545 1.00 0.00 H new ATOM 66 N PHE A 8 4.090 21.805 1.315 1.00 0.00 N ATOM 67 CA PHE A 8 5.264 20.943 1.357 1.00 0.00 C ATOM 68 C PHE A 8 5.164 19.836 0.310 1.00 0.00 C ATOM 69 O PHE A 8 4.201 19.070 0.293 1.00 0.00 O ATOM 70 CB PHE A 8 5.425 20.330 2.749 1.00 0.00 C ATOM 71 CG PHE A 8 4.984 21.241 3.860 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.763 22.324 4.234 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.792 21.014 4.528 1.00 0.00 C ATOM 74 CE1 PHE A 8 5.360 23.163 5.256 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.384 21.850 5.550 1.00 0.00 C ATOM 76 CZ PHE A 8 4.169 22.927 5.914 1.00 0.00 C ATOM 0 H PHE A 8 3.200 21.307 1.344 1.00 0.00 H new ATOM 0 HA PHE A 8 6.139 21.553 1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.850 19.405 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.471 20.064 2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.695 22.515 3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.174 20.174 4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.977 24.003 5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.453 21.662 6.063 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.852 23.583 6.711 1.00 0.00 H new ATOM 86 N ARG A 9 6.166 19.761 -0.560 1.00 0.00 N ATOM 87 CA ARG A 9 6.190 18.751 -1.611 1.00 0.00 C ATOM 88 C ARG A 9 5.943 17.360 -1.034 1.00 0.00 C ATOM 89 O ARG A 9 6.447 17.004 0.032 1.00 0.00 O ATOM 90 CB ARG A 9 7.533 18.779 -2.344 1.00 0.00 C ATOM 91 CG ARG A 9 7.519 18.034 -3.669 1.00 0.00 C ATOM 92 CD ARG A 9 8.873 18.098 -4.358 1.00 0.00 C ATOM 93 NE ARG A 9 9.143 19.422 -4.912 1.00 0.00 N ATOM 94 CZ ARG A 9 10.277 19.745 -5.525 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.240 18.845 -5.661 1.00 0.00 N ATOM 96 NH2 ARG A 9 10.448 20.971 -6.003 1.00 0.00 N ATOM 0 H ARG A 9 6.971 20.387 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 9 5.393 18.980 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.818 19.816 -2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.298 18.344 -1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.245 16.993 -3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.757 18.462 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.655 17.837 -3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.909 17.357 -5.156 1.00 0.00 H new ATOM 0 HE ARG A 9 8.422 20.138 -4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.112 17.902 -5.295 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.109 19.096 -6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.709 21.666 -5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.319 21.218 -6.473 1.00 0.00 H new ATOM 110 N PRO A 10 5.147 16.554 -1.753 1.00 0.00 N ATOM 111 CA PRO A 10 4.815 15.190 -1.332 1.00 0.00 C ATOM 112 C PRO A 10 6.011 14.248 -1.418 1.00 0.00 C ATOM 113 O PRO A 10 6.551 14.012 -2.499 1.00 0.00 O ATOM 114 CB PRO A 10 3.729 14.767 -2.324 1.00 0.00 C ATOM 115 CG PRO A 10 3.977 15.599 -3.535 1.00 0.00 C ATOM 116 CD PRO A 10 4.512 16.912 -3.032 1.00 0.00 C ATOM 0 HA PRO A 10 4.498 15.152 -0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.795 13.704 -2.554 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.733 14.944 -1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.692 15.116 -4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.059 15.744 -4.104 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.229 17.347 -3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.716 17.644 -2.895 1.00 0.00 H new ATOM 124 N HIS A 11 6.421 13.712 -0.272 1.00 0.00 N ATOM 125 CA HIS A 11 7.553 12.795 -0.219 1.00 0.00 C ATOM 126 C HIS A 11 7.345 11.737 0.860 1.00 0.00 C ATOM 127 O HIS A 11 7.080 12.060 2.018 1.00 0.00 O ATOM 128 CB HIS A 11 8.847 13.565 0.047 1.00 0.00 C ATOM 129 CG HIS A 11 9.923 12.730 0.672 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.382 11.555 0.116 1.00 0.00 N ATOM 131 CD2 HIS A 11 10.631 12.907 1.812 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.325 11.045 0.887 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.496 11.846 1.923 1.00 0.00 N ATOM 0 H HIS A 11 5.986 13.897 0.632 1.00 0.00 H new ATOM 0 HA HIS A 11 7.629 12.294 -1.184 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.216 13.975 -0.893 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.629 14.411 0.699 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.534 13.729 2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 11 11.865 10.128 0.702 1.00 0.00 H new ATOM 0 HE2 HIS A 11 12.162 11.700 2.682 1.00 0.00 H new ATOM 141 N PHE A 12 7.467 10.472 0.472 1.00 0.00 N ATOM 142 CA PHE A 12 7.291 9.366 1.406 1.00 0.00 C ATOM 143 C PHE A 12 8.502 9.230 2.324 1.00 0.00 C ATOM 144 O PHE A 12 9.569 8.784 1.901 1.00 0.00 O ATOM 145 CB PHE A 12 7.065 8.058 0.644 1.00 0.00 C ATOM 146 CG PHE A 12 5.859 8.086 -0.251 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.612 7.725 0.233 1.00 0.00 C ATOM 148 CD2 PHE A 12 5.973 8.472 -1.577 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.501 7.750 -0.588 1.00 0.00 C ATOM 150 CE2 PHE A 12 4.865 8.500 -2.402 1.00 0.00 C ATOM 151 CZ PHE A 12 3.628 8.137 -1.908 1.00 0.00 C ATOM 0 H PHE A 12 7.687 10.187 -0.482 1.00 0.00 H new ATOM 0 HA PHE A 12 6.415 9.578 2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.948 7.839 0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.957 7.244 1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.507 7.421 1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.939 8.754 -1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.534 7.467 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.967 8.806 -3.433 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.761 8.156 -2.552 1.00 0.00 H new ATOM 161 N LEU A 13 8.329 9.619 3.583 1.00 0.00 N ATOM 162 CA LEU A 13 9.408 9.542 4.562 1.00 0.00 C ATOM 163 C LEU A 13 9.730 8.091 4.905 1.00 0.00 C ATOM 164 O LEU A 13 10.893 7.728 5.077 1.00 0.00 O ATOM 165 CB LEU A 13 9.026 10.306 5.831 1.00 0.00 C ATOM 166 CG LEU A 13 8.677 11.783 5.647 1.00 0.00 C ATOM 167 CD1 LEU A 13 8.214 12.390 6.962 1.00 0.00 C ATOM 168 CD2 LEU A 13 9.870 12.548 5.095 1.00 0.00 C ATOM 0 H LEU A 13 7.453 9.991 3.949 1.00 0.00 H new ATOM 0 HA LEU A 13 10.296 9.997 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.172 9.806 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.853 10.234 6.537 1.00 0.00 H new ATOM 0 HG LEU A 13 7.860 11.857 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.970 13.442 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.330 11.860 7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.009 12.305 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.603 13.597 4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.707 12.466 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.156 12.129 4.130 1.00 0.00 H new ATOM 180 N GLN A 14 8.692 7.267 4.999 1.00 0.00 N ATOM 181 CA GLN A 14 8.865 5.855 5.320 1.00 0.00 C ATOM 182 C GLN A 14 8.035 4.979 4.387 1.00 0.00 C ATOM 183 O GLN A 14 6.805 5.023 4.410 1.00 0.00 O ATOM 184 CB GLN A 14 8.472 5.588 6.774 1.00 0.00 C ATOM 185 CG GLN A 14 9.025 4.283 7.324 1.00 0.00 C ATOM 186 CD GLN A 14 9.253 4.332 8.822 1.00 0.00 C ATOM 187 OE1 GLN A 14 8.616 5.109 9.534 1.00 0.00 O ATOM 188 NE2 GLN A 14 10.165 3.498 9.310 1.00 0.00 N ATOM 0 H GLN A 14 7.723 7.552 4.858 1.00 0.00 H new ATOM 0 HA GLN A 14 9.917 5.604 5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.824 6.412 7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.385 5.573 6.851 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.333 3.473 7.092 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.966 4.052 6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.670 2.871 8.684 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.360 3.485 10.311 1.00 0.00 H new ATOM 197 N ALA A 15 8.715 4.184 3.568 1.00 0.00 N ATOM 198 CA ALA A 15 8.040 3.296 2.629 1.00 0.00 C ATOM 199 C ALA A 15 8.565 1.870 2.748 1.00 0.00 C ATOM 200 O ALA A 15 9.740 1.636 3.032 1.00 0.00 O ATOM 201 CB ALA A 15 8.210 3.807 1.206 1.00 0.00 C ATOM 0 H ALA A 15 9.733 4.136 3.536 1.00 0.00 H new ATOM 0 HA ALA A 15 6.978 3.285 2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.701 3.135 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.780 4.805 1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.271 3.847 0.958 1.00 0.00 H new ATOM 207 N PRO A 16 7.675 0.891 2.527 1.00 0.00 N ATOM 208 CA PRO A 16 8.026 -0.530 2.604 1.00 0.00 C ATOM 209 C PRO A 16 8.936 -0.966 1.461 1.00 0.00 C ATOM 210 O PRO A 16 9.253 -0.176 0.572 1.00 0.00 O ATOM 211 CB PRO A 16 6.671 -1.236 2.508 1.00 0.00 C ATOM 212 CG PRO A 16 5.795 -0.276 1.780 1.00 0.00 C ATOM 213 CD PRO A 16 6.257 1.096 2.185 1.00 0.00 C ATOM 0 HA PRO A 16 8.581 -0.764 3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.754 -2.181 1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.273 -1.464 3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.878 -0.413 0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.748 -0.428 2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.139 1.815 1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.690 1.477 3.034 1.00 0.00 H new ATOM 221 N GLY A 17 9.352 -2.228 1.489 1.00 0.00 N ATOM 222 CA GLY A 17 10.221 -2.746 0.449 1.00 0.00 C ATOM 223 C GLY A 17 9.874 -4.169 0.058 1.00 0.00 C ATOM 224 O GLY A 17 8.703 -4.501 -0.124 1.00 0.00 O ATOM 0 H GLY A 17 9.103 -2.901 2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.153 -2.104 -0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.255 -2.709 0.792 1.00 0.00 H new ATOM 228 N ASP A 18 10.894 -5.010 -0.073 1.00 0.00 N ATOM 229 CA ASP A 18 10.691 -6.406 -0.445 1.00 0.00 C ATOM 230 C ASP A 18 10.122 -7.203 0.725 1.00 0.00 C ATOM 231 O ASP A 18 10.833 -7.518 1.680 1.00 0.00 O ATOM 232 CB ASP A 18 12.008 -7.028 -0.910 1.00 0.00 C ATOM 233 CG ASP A 18 13.080 -6.982 0.160 1.00 0.00 C ATOM 234 OD1 ASP A 18 13.143 -5.973 0.894 1.00 0.00 O ATOM 235 OD2 ASP A 18 13.856 -7.954 0.264 1.00 0.00 O ATOM 0 H ASP A 18 11.869 -4.750 0.073 1.00 0.00 H new ATOM 0 HA ASP A 18 9.974 -6.438 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.834 -8.064 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.361 -6.502 -1.797 1.00 0.00 H new ATOM 240 N LEU A 19 8.836 -7.525 0.644 1.00 0.00 N ATOM 241 CA LEU A 19 8.170 -8.286 1.697 1.00 0.00 C ATOM 242 C LEU A 19 7.723 -9.651 1.183 1.00 0.00 C ATOM 243 O LEU A 19 7.542 -9.845 -0.019 1.00 0.00 O ATOM 244 CB LEU A 19 6.965 -7.509 2.229 1.00 0.00 C ATOM 245 CG LEU A 19 7.244 -6.547 3.385 1.00 0.00 C ATOM 246 CD1 LEU A 19 7.713 -5.200 2.857 1.00 0.00 C ATOM 247 CD2 LEU A 19 6.003 -6.380 4.251 1.00 0.00 C ATOM 0 H LEU A 19 8.233 -7.272 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 19 8.883 -8.439 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.532 -6.940 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.210 -8.225 2.553 1.00 0.00 H new ATOM 0 HG LEU A 19 8.038 -6.969 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.907 -4.529 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.628 -5.334 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.941 -4.771 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.220 -5.692 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.189 -5.980 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.711 -7.348 4.659 1.00 0.00 H new ATOM 259 N THR A 20 7.546 -10.594 2.103 1.00 0.00 N ATOM 260 CA THR A 20 7.119 -11.941 1.744 1.00 0.00 C ATOM 261 C THR A 20 5.945 -12.393 2.604 1.00 0.00 C ATOM 262 O THR A 20 5.979 -12.280 3.829 1.00 0.00 O ATOM 263 CB THR A 20 8.270 -12.953 1.893 1.00 0.00 C ATOM 264 OG1 THR A 20 9.469 -12.420 1.320 1.00 0.00 O ATOM 265 CG2 THR A 20 7.922 -14.272 1.219 1.00 0.00 C ATOM 0 H THR A 20 7.692 -10.450 3.102 1.00 0.00 H new ATOM 0 HA THR A 20 6.808 -11.907 0.700 1.00 0.00 H new ATOM 0 HB THR A 20 8.427 -13.137 2.956 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.196 -13.069 1.421 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.750 -14.971 1.338 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.026 -14.690 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.740 -14.102 0.158 1.00 0.00 H new ATOM 273 N VAL A 21 4.905 -12.907 1.954 1.00 0.00 N ATOM 274 CA VAL A 21 3.719 -13.378 2.660 1.00 0.00 C ATOM 275 C VAL A 21 3.075 -14.551 1.930 1.00 0.00 C ATOM 276 O VAL A 21 2.800 -14.473 0.733 1.00 0.00 O ATOM 277 CB VAL A 21 2.679 -12.254 2.823 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.347 -12.823 3.289 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.185 -11.196 3.791 1.00 0.00 C ATOM 0 H VAL A 21 4.860 -13.008 0.940 1.00 0.00 H new ATOM 0 HA VAL A 21 4.047 -13.704 3.647 1.00 0.00 H new ATOM 0 HB VAL A 21 2.525 -11.781 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.624 -12.014 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.981 -13.540 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.481 -13.323 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.437 -10.410 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.369 -11.651 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.112 -10.768 3.410 1.00 0.00 H new ATOM 289 N GLN A 22 2.837 -15.636 2.660 1.00 0.00 N ATOM 290 CA GLN A 22 2.225 -16.826 2.081 1.00 0.00 C ATOM 291 C GLN A 22 0.766 -16.566 1.718 1.00 0.00 C ATOM 292 O GLN A 22 0.119 -15.696 2.299 1.00 0.00 O ATOM 293 CB GLN A 22 2.319 -18.000 3.057 1.00 0.00 C ATOM 294 CG GLN A 22 2.256 -19.360 2.380 1.00 0.00 C ATOM 295 CD GLN A 22 2.633 -20.494 3.314 1.00 0.00 C ATOM 296 OE1 GLN A 22 3.769 -20.969 3.306 1.00 0.00 O ATOM 297 NE2 GLN A 22 1.678 -20.934 4.125 1.00 0.00 N ATOM 0 H GLN A 22 3.058 -15.715 3.652 1.00 0.00 H new ATOM 0 HA GLN A 22 2.768 -17.076 1.170 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.252 -17.924 3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.508 -17.926 3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.248 -19.527 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.925 -19.365 1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.750 -20.511 4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.872 -21.695 4.775 1.00 0.00 H new ATOM 306 N GLU A 23 0.256 -17.327 0.755 1.00 0.00 N ATOM 307 CA GLU A 23 -1.126 -17.177 0.315 1.00 0.00 C ATOM 308 C GLU A 23 -2.093 -17.404 1.473 1.00 0.00 C ATOM 309 O GLU A 23 -1.837 -18.217 2.360 1.00 0.00 O ATOM 310 CB GLU A 23 -1.432 -18.158 -0.819 1.00 0.00 C ATOM 311 CG GLU A 23 -2.676 -17.798 -1.615 1.00 0.00 C ATOM 312 CD GLU A 23 -3.165 -18.942 -2.482 1.00 0.00 C ATOM 313 OE1 GLU A 23 -3.782 -19.880 -1.935 1.00 0.00 O ATOM 314 OE2 GLU A 23 -2.931 -18.899 -3.708 1.00 0.00 O ATOM 0 H GLU A 23 0.779 -18.053 0.265 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.256 -16.158 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.577 -18.198 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.555 -19.157 -0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.469 -17.503 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.462 -16.935 -2.245 1.00 0.00 H new ATOM 321 N GLY A 24 -3.206 -16.677 1.457 1.00 0.00 N ATOM 322 CA GLY A 24 -4.195 -16.812 2.511 1.00 0.00 C ATOM 323 C GLY A 24 -3.699 -16.286 3.843 1.00 0.00 C ATOM 324 O GLY A 24 -4.088 -16.784 4.900 1.00 0.00 O ATOM 0 H GLY A 24 -3.441 -15.997 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.100 -16.275 2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.467 -17.862 2.617 1.00 0.00 H new ATOM 328 N LYS A 25 -2.835 -15.278 3.794 1.00 0.00 N ATOM 329 CA LYS A 25 -2.283 -14.683 5.006 1.00 0.00 C ATOM 330 C LYS A 25 -2.555 -13.183 5.048 1.00 0.00 C ATOM 331 O LYS A 25 -3.022 -12.599 4.070 1.00 0.00 O ATOM 332 CB LYS A 25 -0.776 -14.942 5.085 1.00 0.00 C ATOM 333 CG LYS A 25 -0.414 -16.415 5.145 1.00 0.00 C ATOM 334 CD LYS A 25 -0.755 -17.018 6.498 1.00 0.00 C ATOM 335 CE LYS A 25 0.158 -16.484 7.592 1.00 0.00 C ATOM 336 NZ LYS A 25 -0.106 -17.138 8.903 1.00 0.00 N ATOM 0 H LYS A 25 -2.501 -14.855 2.928 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.771 -15.147 5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.293 -14.493 4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.376 -14.442 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.946 -16.954 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.651 -16.537 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.792 -16.794 6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.667 -18.103 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.198 -16.646 7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.018 -15.407 7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.536 -16.747 9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.091 -16.962 9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.052 -18.162 8.818 1.00 0.00 H new ATOM 350 N LEU A 26 -2.259 -12.565 6.186 1.00 0.00 N ATOM 351 CA LEU A 26 -2.470 -11.131 6.355 1.00 0.00 C ATOM 352 C LEU A 26 -1.290 -10.338 5.804 1.00 0.00 C ATOM 353 O LEU A 26 -0.132 -10.665 6.068 1.00 0.00 O ATOM 354 CB LEU A 26 -2.678 -10.797 7.834 1.00 0.00 C ATOM 355 CG LEU A 26 -3.059 -9.350 8.148 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.842 -8.444 8.051 1.00 0.00 C ATOM 357 CD2 LEU A 26 -4.158 -8.872 7.209 1.00 0.00 C ATOM 0 H LEU A 26 -1.872 -13.034 7.005 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.363 -10.852 5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.457 -11.450 8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.760 -11.035 8.372 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.437 -9.308 9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.133 -7.418 8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.086 -8.773 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.433 -8.490 7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.417 -7.840 7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.807 -8.930 6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.038 -9.503 7.328 1.00 0.00 H new ATOM 369 N CYS A 27 -1.591 -9.294 5.040 1.00 0.00 N ATOM 370 CA CYS A 27 -0.554 -8.452 4.453 1.00 0.00 C ATOM 371 C CYS A 27 -0.834 -6.977 4.722 1.00 0.00 C ATOM 372 O CYS A 27 -1.710 -6.377 4.099 1.00 0.00 O ATOM 373 CB CYS A 27 -0.460 -8.699 2.947 1.00 0.00 C ATOM 374 SG CYS A 27 0.598 -7.524 2.070 1.00 0.00 S ATOM 0 H CYS A 27 -2.544 -9.010 4.812 1.00 0.00 H new ATOM 0 HA CYS A 27 0.397 -8.713 4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.082 -9.707 2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.462 -8.658 2.520 1.00 0.00 H new ATOM 0 HG CYS A 27 0.615 -7.817 0.804 1.00 0.00 H new ATOM 380 N ARG A 28 -0.085 -6.399 5.656 1.00 0.00 N ATOM 381 CA ARG A 28 -0.254 -4.995 6.010 1.00 0.00 C ATOM 382 C ARG A 28 0.911 -4.159 5.489 1.00 0.00 C ATOM 383 O ARG A 28 2.046 -4.629 5.426 1.00 0.00 O ATOM 384 CB ARG A 28 -0.368 -4.840 7.528 1.00 0.00 C ATOM 385 CG ARG A 28 -0.287 -3.398 8.001 1.00 0.00 C ATOM 386 CD ARG A 28 -0.768 -3.255 9.436 1.00 0.00 C ATOM 387 NE ARG A 28 -1.244 -1.904 9.721 1.00 0.00 N ATOM 388 CZ ARG A 28 -1.412 -1.428 10.950 1.00 0.00 C ATOM 389 NH1 ARG A 28 -1.142 -2.189 12.002 1.00 0.00 N ATOM 390 NH2 ARG A 28 -1.849 -0.188 11.129 1.00 0.00 N ATOM 0 H ARG A 28 0.644 -6.882 6.181 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.172 -4.637 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.314 -5.269 7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.426 -5.415 8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.742 -3.046 7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.890 -2.766 7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.570 -3.969 9.622 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.045 -3.504 10.118 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.459 -1.292 8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.804 -3.142 11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.272 -1.821 12.944 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.056 0.401 10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.978 0.176 12.073 1.00 0.00 H new ATOM 404 N MET A 29 0.620 -2.916 5.116 1.00 0.00 N ATOM 405 CA MET A 29 1.644 -2.015 4.601 1.00 0.00 C ATOM 406 C MET A 29 1.394 -0.584 5.070 1.00 0.00 C ATOM 407 O MET A 29 0.333 -0.014 4.814 1.00 0.00 O ATOM 408 CB MET A 29 1.676 -2.065 3.073 1.00 0.00 C ATOM 409 CG MET A 29 2.069 -3.424 2.517 1.00 0.00 C ATOM 410 SD MET A 29 2.859 -3.311 0.900 1.00 0.00 S ATOM 411 CE MET A 29 1.429 -3.131 -0.163 1.00 0.00 C ATOM 0 H MET A 29 -0.315 -2.511 5.161 1.00 0.00 H new ATOM 0 HA MET A 29 2.609 -2.342 4.988 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.693 -1.795 2.688 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.378 -1.315 2.708 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.747 -3.915 3.215 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.181 -4.051 2.440 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.597 -3.673 -1.094 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.550 -3.535 0.338 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.269 -2.075 -0.381 1.00 0.00 H new ATOM 421 N ASP A 30 2.377 -0.011 5.755 1.00 0.00 N ATOM 422 CA ASP A 30 2.263 1.353 6.259 1.00 0.00 C ATOM 423 C ASP A 30 3.293 2.263 5.598 1.00 0.00 C ATOM 424 O ASP A 30 4.477 1.931 5.531 1.00 0.00 O ATOM 425 CB ASP A 30 2.444 1.375 7.777 1.00 0.00 C ATOM 426 CG ASP A 30 3.899 1.490 8.186 1.00 0.00 C ATOM 427 OD1 ASP A 30 4.581 0.446 8.253 1.00 0.00 O ATOM 428 OD2 ASP A 30 4.356 2.625 8.437 1.00 0.00 O ATOM 0 H ASP A 30 3.262 -0.469 5.974 1.00 0.00 H new ATOM 0 HA ASP A 30 1.267 1.723 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.885 2.213 8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.021 0.466 8.203 1.00 0.00 H new ATOM 433 N CYS A 31 2.835 3.411 5.111 1.00 0.00 N ATOM 434 CA CYS A 31 3.717 4.369 4.454 1.00 0.00 C ATOM 435 C CYS A 31 3.465 5.782 4.969 1.00 0.00 C ATOM 436 O CYS A 31 2.319 6.208 5.113 1.00 0.00 O ATOM 437 CB CYS A 31 3.515 4.323 2.938 1.00 0.00 C ATOM 438 SG CYS A 31 1.861 4.815 2.398 1.00 0.00 S ATOM 0 H CYS A 31 1.858 3.701 5.159 1.00 0.00 H new ATOM 0 HA CYS A 31 4.746 4.095 4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.249 4.975 2.465 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.714 3.311 2.586 1.00 0.00 H new ATOM 0 HG CYS A 31 1.323 5.585 3.296 1.00 0.00 H new ATOM 444 N LYS A 32 4.544 6.505 5.248 1.00 0.00 N ATOM 445 CA LYS A 32 4.442 7.871 5.749 1.00 0.00 C ATOM 446 C LYS A 32 4.739 8.879 4.643 1.00 0.00 C ATOM 447 O LYS A 32 5.763 8.789 3.965 1.00 0.00 O ATOM 448 CB LYS A 32 5.408 8.081 6.918 1.00 0.00 C ATOM 449 CG LYS A 32 4.930 9.115 7.923 1.00 0.00 C ATOM 450 CD LYS A 32 5.039 10.525 7.367 1.00 0.00 C ATOM 451 CE LYS A 32 4.935 11.568 8.469 1.00 0.00 C ATOM 452 NZ LYS A 32 5.104 12.951 7.942 1.00 0.00 N ATOM 0 H LYS A 32 5.500 6.168 5.136 1.00 0.00 H new ATOM 0 HA LYS A 32 3.421 8.029 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.557 7.131 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.378 8.388 6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.895 8.909 8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.520 9.036 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.989 10.639 6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.250 10.690 6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.965 11.482 8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.694 11.373 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.758 13.479 8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.491 12.910 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.182 13.431 7.925 1.00 0.00 H new ATOM 466 N VAL A 33 3.837 9.840 4.467 1.00 0.00 N ATOM 467 CA VAL A 33 4.004 10.867 3.446 1.00 0.00 C ATOM 468 C VAL A 33 3.653 12.247 3.991 1.00 0.00 C ATOM 469 O VAL A 33 2.630 12.423 4.652 1.00 0.00 O ATOM 470 CB VAL A 33 3.129 10.578 2.211 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.663 10.489 2.605 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.341 11.644 1.147 1.00 0.00 C ATOM 0 H VAL A 33 2.983 9.928 5.018 1.00 0.00 H new ATOM 0 HA VAL A 33 5.053 10.852 3.151 1.00 0.00 H new ATOM 0 HB VAL A 33 3.427 9.616 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.060 10.284 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.529 9.685 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.347 11.433 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.715 11.424 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.072 12.620 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.388 11.653 0.844 1.00 0.00 H new ATOM 482 N SER A 34 4.510 13.224 3.709 1.00 0.00 N ATOM 483 CA SER A 34 4.293 14.588 4.175 1.00 0.00 C ATOM 484 C SER A 34 3.819 15.483 3.033 1.00 0.00 C ATOM 485 O SER A 34 4.144 15.248 1.870 1.00 0.00 O ATOM 486 CB SER A 34 5.578 15.154 4.781 1.00 0.00 C ATOM 487 OG SER A 34 5.334 16.385 5.438 1.00 0.00 O ATOM 0 H SER A 34 5.360 13.096 3.160 1.00 0.00 H new ATOM 0 HA SER A 34 3.518 14.564 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.996 14.438 5.488 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.321 15.298 3.996 1.00 0.00 H new ATOM 0 HG SER A 34 6.171 16.725 5.818 1.00 0.00 H new ATOM 493 N GLY A 35 3.048 16.511 3.375 1.00 0.00 N ATOM 494 CA GLY A 35 2.542 17.425 2.368 1.00 0.00 C ATOM 495 C GLY A 35 1.336 18.207 2.849 1.00 0.00 C ATOM 496 O GLY A 35 0.491 17.676 3.572 1.00 0.00 O ATOM 0 H GLY A 35 2.765 16.727 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.332 18.120 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.274 16.863 1.473 1.00 0.00 H new ATOM 500 N LEU A 36 1.254 19.471 2.450 1.00 0.00 N ATOM 501 CA LEU A 36 0.142 20.328 2.846 1.00 0.00 C ATOM 502 C LEU A 36 -0.448 21.048 1.638 1.00 0.00 C ATOM 503 O LEU A 36 0.246 21.748 0.901 1.00 0.00 O ATOM 504 CB LEU A 36 0.606 21.350 3.886 1.00 0.00 C ATOM 505 CG LEU A 36 -0.433 22.385 4.319 1.00 0.00 C ATOM 506 CD1 LEU A 36 -1.267 21.854 5.475 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.245 23.692 4.705 1.00 0.00 C ATOM 0 H LEU A 36 1.944 19.926 1.852 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.632 19.698 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.943 20.811 4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.471 21.878 3.486 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.098 22.578 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.001 22.604 5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.782 20.945 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.617 21.631 6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.510 24.417 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.933 23.515 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.797 24.082 3.850 1.00 0.00 H new ATOM 519 N PRO A 37 -1.762 20.874 1.429 1.00 0.00 N ATOM 520 CA PRO A 37 -2.599 20.042 2.299 1.00 0.00 C ATOM 521 C PRO A 37 -2.281 18.557 2.162 1.00 0.00 C ATOM 522 O PRO A 37 -1.321 18.176 1.491 1.00 0.00 O ATOM 523 CB PRO A 37 -4.019 20.333 1.809 1.00 0.00 C ATOM 524 CG PRO A 37 -3.851 20.757 0.391 1.00 0.00 C ATOM 525 CD PRO A 37 -2.532 21.476 0.327 1.00 0.00 C ATOM 0 HA PRO A 37 -2.443 20.269 3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.653 19.450 1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.490 21.116 2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.859 19.896 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.667 21.410 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.040 21.329 -0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.653 22.551 0.462 1.00 0.00 H new ATOM 533 N THR A 38 -3.093 17.721 2.802 1.00 0.00 N ATOM 534 CA THR A 38 -2.898 16.278 2.752 1.00 0.00 C ATOM 535 C THR A 38 -2.698 15.800 1.318 1.00 0.00 C ATOM 536 O THR A 38 -3.532 16.025 0.441 1.00 0.00 O ATOM 537 CB THR A 38 -4.093 15.528 3.369 1.00 0.00 C ATOM 538 OG1 THR A 38 -5.320 16.040 2.838 1.00 0.00 O ATOM 539 CG2 THR A 38 -4.094 15.664 4.884 1.00 0.00 C ATOM 0 H THR A 38 -3.892 18.019 3.361 1.00 0.00 H new ATOM 0 HA THR A 38 -2.002 16.060 3.333 1.00 0.00 H new ATOM 0 HB THR A 38 -4.001 14.472 3.115 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.215 16.212 1.879 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.947 15.126 5.297 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.172 15.246 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.164 16.718 5.155 1.00 0.00 H new ATOM 547 N PRO A 39 -1.567 15.122 1.072 1.00 0.00 N ATOM 548 CA PRO A 39 -1.232 14.597 -0.255 1.00 0.00 C ATOM 549 C PRO A 39 -2.132 13.436 -0.663 1.00 0.00 C ATOM 550 O PRO A 39 -2.251 12.446 0.061 1.00 0.00 O ATOM 551 CB PRO A 39 0.214 14.122 -0.094 1.00 0.00 C ATOM 552 CG PRO A 39 0.357 13.830 1.360 1.00 0.00 C ATOM 553 CD PRO A 39 -0.528 14.817 2.070 1.00 0.00 C ATOM 0 HA PRO A 39 -1.364 15.347 -1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.409 13.235 -0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.920 14.887 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.057 12.806 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.394 13.936 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.955 14.393 2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.022 15.711 2.364 1.00 0.00 H new ATOM 561 N ASP A 40 -2.763 13.562 -1.825 1.00 0.00 N ATOM 562 CA ASP A 40 -3.652 12.522 -2.330 1.00 0.00 C ATOM 563 C ASP A 40 -2.867 11.461 -3.095 1.00 0.00 C ATOM 564 O ASP A 40 -2.199 11.762 -4.086 1.00 0.00 O ATOM 565 CB ASP A 40 -4.724 13.131 -3.233 1.00 0.00 C ATOM 566 CG ASP A 40 -5.192 12.169 -4.307 1.00 0.00 C ATOM 567 OD1 ASP A 40 -4.500 12.050 -5.340 1.00 0.00 O ATOM 568 OD2 ASP A 40 -6.250 11.534 -4.114 1.00 0.00 O ATOM 0 H ASP A 40 -2.675 14.374 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.135 12.046 -1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.576 13.435 -2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.330 14.032 -3.703 1.00 0.00 H new ATOM 573 N LEU A 41 -2.950 10.220 -2.629 1.00 0.00 N ATOM 574 CA LEU A 41 -2.247 9.113 -3.269 1.00 0.00 C ATOM 575 C LEU A 41 -3.223 8.022 -3.697 1.00 0.00 C ATOM 576 O LEU A 41 -4.289 7.862 -3.103 1.00 0.00 O ATOM 577 CB LEU A 41 -1.198 8.532 -2.319 1.00 0.00 C ATOM 578 CG LEU A 41 -1.714 8.051 -0.963 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.858 6.908 -0.440 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.742 9.199 0.035 1.00 0.00 C ATOM 0 H LEU A 41 -3.497 9.955 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.749 9.497 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.710 7.695 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.434 9.290 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.732 7.684 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.241 6.579 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.890 6.077 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.172 7.247 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.112 8.838 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.735 9.596 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.399 9.986 -0.334 1.00 0.00 H new ATOM 592 N SER A 42 -2.849 7.273 -4.729 1.00 0.00 N ATOM 593 CA SER A 42 -3.693 6.197 -5.238 1.00 0.00 C ATOM 594 C SER A 42 -2.881 4.922 -5.443 1.00 0.00 C ATOM 595 O SER A 42 -1.780 4.956 -5.993 1.00 0.00 O ATOM 596 CB SER A 42 -4.350 6.615 -6.555 1.00 0.00 C ATOM 597 OG SER A 42 -5.582 5.942 -6.745 1.00 0.00 O ATOM 0 H SER A 42 -1.968 7.391 -5.229 1.00 0.00 H new ATOM 0 HA SER A 42 -4.470 5.998 -4.500 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.516 7.692 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.680 6.395 -7.386 1.00 0.00 H new ATOM 0 HG SER A 42 -5.983 6.227 -7.592 1.00 0.00 H new ATOM 603 N TRP A 43 -3.433 3.799 -4.998 1.00 0.00 N ATOM 604 CA TRP A 43 -2.761 2.511 -5.132 1.00 0.00 C ATOM 605 C TRP A 43 -3.004 1.912 -6.513 1.00 0.00 C ATOM 606 O TRP A 43 -4.107 1.999 -7.050 1.00 0.00 O ATOM 607 CB TRP A 43 -3.246 1.545 -4.050 1.00 0.00 C ATOM 608 CG TRP A 43 -2.935 2.006 -2.659 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.772 2.672 -1.810 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.699 1.838 -1.956 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.131 2.928 -0.622 1.00 0.00 N ATOM 612 CE2 TRP A 43 -1.859 2.425 -0.685 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.474 1.246 -2.275 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -0.838 2.438 0.262 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.538 1.260 -1.334 1.00 0.00 C ATOM 616 CH2 TRP A 43 0.351 1.852 -0.077 1.00 0.00 C ATOM 0 H TRP A 43 -4.344 3.754 -4.541 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.690 2.673 -5.010 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.323 1.412 -4.148 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.788 0.569 -4.213 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.789 2.956 -2.039 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.537 3.414 0.178 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.321 0.786 -3.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.980 2.895 1.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.489 0.807 -1.571 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.161 1.845 0.637 1.00 0.00 H new ATOM 627 N GLN A 44 -1.967 1.305 -7.080 1.00 0.00 N ATOM 628 CA GLN A 44 -2.069 0.692 -8.399 1.00 0.00 C ATOM 629 C GLN A 44 -1.372 -0.665 -8.425 1.00 0.00 C ATOM 630 O GLN A 44 -0.203 -0.781 -8.056 1.00 0.00 O ATOM 631 CB GLN A 44 -1.462 1.611 -9.461 1.00 0.00 C ATOM 632 CG GLN A 44 -2.046 3.014 -9.457 1.00 0.00 C ATOM 633 CD GLN A 44 -1.423 3.908 -10.510 1.00 0.00 C ATOM 634 OE1 GLN A 44 -0.337 3.626 -11.017 1.00 0.00 O ATOM 635 NE2 GLN A 44 -2.109 4.995 -10.845 1.00 0.00 N ATOM 0 H GLN A 44 -1.047 1.224 -6.647 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.126 0.541 -8.620 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.385 1.674 -9.303 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.614 1.166 -10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.121 2.956 -9.625 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.900 3.461 -8.474 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.005 5.190 -10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.739 5.635 -11.548 1.00 0.00 H new ATOM 644 N LEU A 45 -2.097 -1.689 -8.862 1.00 0.00 N ATOM 645 CA LEU A 45 -1.549 -3.038 -8.935 1.00 0.00 C ATOM 646 C LEU A 45 -1.551 -3.550 -10.372 1.00 0.00 C ATOM 647 O LEU A 45 -2.600 -3.626 -11.013 1.00 0.00 O ATOM 648 CB LEU A 45 -2.352 -3.986 -8.043 1.00 0.00 C ATOM 649 CG LEU A 45 -1.851 -5.429 -7.974 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.411 -5.471 -7.489 1.00 0.00 C ATOM 651 CD2 LEU A 45 -2.746 -6.261 -7.067 1.00 0.00 C ATOM 0 H LEU A 45 -3.066 -1.610 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.518 -3.004 -8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.364 -3.578 -7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.384 -3.997 -8.395 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.887 -5.855 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.072 -6.506 -7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.221 -4.910 -8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.349 -5.027 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.375 -7.285 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.742 -5.837 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.764 -6.258 -7.458 1.00 0.00 H new ATOM 663 N ASP A 46 -0.371 -3.900 -10.872 1.00 0.00 N ATOM 664 CA ASP A 46 -0.238 -4.408 -12.233 1.00 0.00 C ATOM 665 C ASP A 46 -0.872 -3.449 -13.235 1.00 0.00 C ATOM 666 O ASP A 46 -1.668 -3.855 -14.081 1.00 0.00 O ATOM 667 CB ASP A 46 -0.884 -5.789 -12.350 1.00 0.00 C ATOM 668 CG ASP A 46 -0.666 -6.416 -13.714 1.00 0.00 C ATOM 669 OD1 ASP A 46 0.491 -6.429 -14.183 1.00 0.00 O ATOM 670 OD2 ASP A 46 -1.653 -6.894 -14.311 1.00 0.00 O ATOM 0 H ASP A 46 0.507 -3.841 -10.356 1.00 0.00 H new ATOM 0 HA ASP A 46 0.825 -4.493 -12.461 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.474 -6.445 -11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.954 -5.704 -12.159 1.00 0.00 H new ATOM 675 N GLY A 47 -0.514 -2.172 -13.134 1.00 0.00 N ATOM 676 CA GLY A 47 -1.059 -1.175 -14.037 1.00 0.00 C ATOM 677 C GLY A 47 -2.573 -1.110 -13.984 1.00 0.00 C ATOM 678 O GLY A 47 -3.230 -0.917 -15.007 1.00 0.00 O ATOM 0 H GLY A 47 0.144 -1.811 -12.443 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.647 -0.198 -13.785 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.744 -1.401 -15.056 1.00 0.00 H new ATOM 682 N LYS A 48 -3.129 -1.273 -12.788 1.00 0.00 N ATOM 683 CA LYS A 48 -4.575 -1.233 -12.605 1.00 0.00 C ATOM 684 C LYS A 48 -4.935 -0.612 -11.259 1.00 0.00 C ATOM 685 O LYS A 48 -4.240 -0.792 -10.259 1.00 0.00 O ATOM 686 CB LYS A 48 -5.161 -2.643 -12.702 1.00 0.00 C ATOM 687 CG LYS A 48 -5.127 -3.221 -14.106 1.00 0.00 C ATOM 688 CD LYS A 48 -5.939 -4.502 -14.201 1.00 0.00 C ATOM 689 CE LYS A 48 -5.419 -5.410 -15.306 1.00 0.00 C ATOM 690 NZ LYS A 48 -6.307 -6.585 -15.521 1.00 0.00 N ATOM 0 H LYS A 48 -2.600 -1.434 -11.931 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.000 -0.615 -13.396 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.609 -3.303 -12.033 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.193 -2.623 -12.351 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.518 -2.488 -14.812 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.095 -3.421 -14.393 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.902 -5.029 -13.248 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.984 -4.258 -14.390 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.336 -4.843 -16.233 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.416 -5.754 -15.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.919 -7.179 -16.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.366 -7.140 -14.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.257 -6.258 -15.788 1.00 0.00 H new ATOM 704 N PRO A 49 -6.049 0.136 -11.230 1.00 0.00 N ATOM 705 CA PRO A 49 -6.527 0.796 -10.013 1.00 0.00 C ATOM 706 C PRO A 49 -7.051 -0.198 -8.981 1.00 0.00 C ATOM 707 O PRO A 49 -8.039 -0.893 -9.220 1.00 0.00 O ATOM 708 CB PRO A 49 -7.662 1.691 -10.517 1.00 0.00 C ATOM 709 CG PRO A 49 -8.138 1.031 -11.765 1.00 0.00 C ATOM 710 CD PRO A 49 -6.926 0.393 -12.385 1.00 0.00 C ATOM 0 HA PRO A 49 -5.730 1.339 -9.505 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.462 1.769 -9.780 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.310 2.704 -10.714 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.902 0.285 -11.545 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.587 1.757 -12.443 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.180 -0.528 -12.910 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.451 1.053 -13.111 1.00 0.00 H new ATOM 718 N VAL A 50 -6.383 -0.260 -7.834 1.00 0.00 N ATOM 719 CA VAL A 50 -6.782 -1.168 -6.765 1.00 0.00 C ATOM 720 C VAL A 50 -7.636 -0.452 -5.726 1.00 0.00 C ATOM 721 O VAL A 50 -7.122 0.293 -4.891 1.00 0.00 O ATOM 722 CB VAL A 50 -5.556 -1.787 -6.068 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.756 -0.716 -5.342 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.988 -2.884 -5.107 1.00 0.00 C ATOM 0 H VAL A 50 -5.563 0.308 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.368 -1.963 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.914 -2.232 -6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.894 -1.173 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.415 0.032 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.385 -0.238 -4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.109 -3.311 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.651 -2.465 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.513 -3.664 -5.658 1.00 0.00 H new ATOM 734 N ARG A 51 -8.944 -0.683 -5.782 1.00 0.00 N ATOM 735 CA ARG A 51 -9.871 -0.059 -4.846 1.00 0.00 C ATOM 736 C ARG A 51 -10.338 -1.060 -3.794 1.00 0.00 C ATOM 737 O ARG A 51 -10.479 -2.255 -4.058 1.00 0.00 O ATOM 738 CB ARG A 51 -11.078 0.512 -5.594 1.00 0.00 C ATOM 739 CG ARG A 51 -12.068 -0.547 -6.049 1.00 0.00 C ATOM 740 CD ARG A 51 -12.819 -0.108 -7.296 1.00 0.00 C ATOM 741 NE ARG A 51 -13.224 -1.244 -8.120 1.00 0.00 N ATOM 742 CZ ARG A 51 -13.646 -1.129 -9.374 1.00 0.00 C ATOM 743 NH1 ARG A 51 -13.718 0.065 -9.946 1.00 0.00 N ATOM 744 NH2 ARG A 51 -13.996 -2.210 -10.060 1.00 0.00 N ATOM 0 H ARG A 51 -9.385 -1.298 -6.466 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.347 0.753 -4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.592 1.224 -4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.727 1.067 -6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.539 -1.479 -6.251 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.778 -0.751 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.702 0.462 -7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.188 0.559 -7.883 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.180 -2.177 -7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.449 0.898 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.042 0.150 -10.909 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.941 -3.131 -9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.320 -2.120 -11.023 1.00 0.00 H new ATOM 758 N PRO A 52 -10.583 -0.565 -2.572 1.00 0.00 N ATOM 759 CA PRO A 52 -11.037 -1.399 -1.456 1.00 0.00 C ATOM 760 C PRO A 52 -12.466 -1.896 -1.647 1.00 0.00 C ATOM 761 O PRO A 52 -13.417 -1.116 -1.595 1.00 0.00 O ATOM 762 CB PRO A 52 -10.955 -0.457 -0.252 1.00 0.00 C ATOM 763 CG PRO A 52 -11.085 0.909 -0.831 1.00 0.00 C ATOM 764 CD PRO A 52 -10.435 0.849 -2.186 1.00 0.00 C ATOM 0 HA PRO A 52 -10.434 -2.301 -1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.750 -0.661 0.465 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.010 -0.574 0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.132 1.200 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.597 1.649 -0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.926 1.513 -2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.387 1.146 -2.143 1.00 0.00 H new ATOM 772 N ASP A 53 -12.609 -3.198 -1.869 1.00 0.00 N ATOM 773 CA ASP A 53 -13.923 -3.799 -2.067 1.00 0.00 C ATOM 774 C ASP A 53 -14.277 -4.726 -0.909 1.00 0.00 C ATOM 775 O ASP A 53 -15.211 -4.461 -0.152 1.00 0.00 O ATOM 776 CB ASP A 53 -13.960 -4.574 -3.386 1.00 0.00 C ATOM 777 CG ASP A 53 -15.282 -5.281 -3.605 1.00 0.00 C ATOM 778 OD1 ASP A 53 -16.333 -4.612 -3.521 1.00 0.00 O ATOM 779 OD2 ASP A 53 -15.267 -6.504 -3.860 1.00 0.00 O ATOM 0 H ASP A 53 -11.832 -3.857 -1.916 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.660 -2.997 -2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.777 -3.887 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.153 -5.307 -3.396 1.00 0.00 H new ATOM 784 N SER A 54 -13.525 -5.814 -0.777 1.00 0.00 N ATOM 785 CA SER A 54 -13.762 -6.783 0.287 1.00 0.00 C ATOM 786 C SER A 54 -12.451 -7.193 0.951 1.00 0.00 C ATOM 787 O SER A 54 -12.279 -7.036 2.160 1.00 0.00 O ATOM 788 CB SER A 54 -14.473 -8.018 -0.269 1.00 0.00 C ATOM 789 OG SER A 54 -13.843 -8.480 -1.452 1.00 0.00 O ATOM 0 H SER A 54 -12.746 -6.047 -1.394 1.00 0.00 H new ATOM 0 HA SER A 54 -14.398 -6.313 1.038 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.472 -8.810 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.515 -7.778 -0.478 1.00 0.00 H new ATOM 0 HG SER A 54 -14.315 -9.271 -1.787 1.00 0.00 H new ATOM 795 N ALA A 55 -11.529 -7.718 0.151 1.00 0.00 N ATOM 796 CA ALA A 55 -10.232 -8.148 0.660 1.00 0.00 C ATOM 797 C ALA A 55 -9.308 -6.957 0.885 1.00 0.00 C ATOM 798 O ALA A 55 -8.592 -6.894 1.885 1.00 0.00 O ATOM 799 CB ALA A 55 -9.592 -9.141 -0.300 1.00 0.00 C ATOM 0 H ALA A 55 -11.656 -7.856 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.390 -8.638 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.624 -9.454 0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.239 -10.012 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.454 -8.669 -1.273 1.00 0.00 H new ATOM 805 N HIS A 56 -9.327 -6.013 -0.051 1.00 0.00 N ATOM 806 CA HIS A 56 -8.490 -4.823 0.046 1.00 0.00 C ATOM 807 C HIS A 56 -9.086 -3.818 1.027 1.00 0.00 C ATOM 808 O HIS A 56 -10.211 -3.351 0.848 1.00 0.00 O ATOM 809 CB HIS A 56 -8.326 -4.175 -1.329 1.00 0.00 C ATOM 810 CG HIS A 56 -7.667 -5.066 -2.337 1.00 0.00 C ATOM 811 ND1 HIS A 56 -8.326 -6.095 -2.976 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.401 -5.077 -2.815 1.00 0.00 C ATOM 813 CE1 HIS A 56 -7.493 -6.701 -3.803 1.00 0.00 C ATOM 814 NE2 HIS A 56 -6.318 -6.103 -3.725 1.00 0.00 N ATOM 0 H HIS A 56 -9.913 -6.049 -0.885 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.511 -5.127 0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.307 -3.881 -1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.739 -3.263 -1.224 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.604 -4.404 -2.534 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.732 -7.543 -4.436 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.485 -6.361 -4.254 1.00 0.00 H new ATOM 822 N LYS A 57 -8.324 -3.489 2.065 1.00 0.00 N ATOM 823 CA LYS A 57 -8.776 -2.539 3.075 1.00 0.00 C ATOM 824 C LYS A 57 -7.838 -1.339 3.151 1.00 0.00 C ATOM 825 O LYS A 57 -6.727 -1.440 3.673 1.00 0.00 O ATOM 826 CB LYS A 57 -8.862 -3.220 4.443 1.00 0.00 C ATOM 827 CG LYS A 57 -9.400 -2.317 5.539 1.00 0.00 C ATOM 828 CD LYS A 57 -9.914 -3.121 6.722 1.00 0.00 C ATOM 829 CE LYS A 57 -9.772 -2.349 8.025 1.00 0.00 C ATOM 830 NZ LYS A 57 -10.250 -3.139 9.193 1.00 0.00 N ATOM 0 H LYS A 57 -7.391 -3.866 2.229 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.767 -2.186 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.501 -4.099 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.870 -3.571 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.614 -1.640 5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.205 -1.699 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.961 -3.377 6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.364 -4.059 6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.727 -2.077 8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.337 -1.419 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.136 -2.578 10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.254 -3.377 9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.694 -4.014 9.271 1.00 0.00 H new ATOM 844 N MET A 58 -8.292 -0.204 2.630 1.00 0.00 N ATOM 845 CA MET A 58 -7.493 1.016 2.642 1.00 0.00 C ATOM 846 C MET A 58 -8.074 2.037 3.615 1.00 0.00 C ATOM 847 O MET A 58 -9.270 2.331 3.581 1.00 0.00 O ATOM 848 CB MET A 58 -7.420 1.617 1.237 1.00 0.00 C ATOM 849 CG MET A 58 -6.324 1.014 0.374 1.00 0.00 C ATOM 850 SD MET A 58 -6.710 1.079 -1.386 1.00 0.00 S ATOM 851 CE MET A 58 -7.139 -0.631 -1.702 1.00 0.00 C ATOM 0 H MET A 58 -9.209 -0.104 2.194 1.00 0.00 H new ATOM 0 HA MET A 58 -6.487 0.758 2.972 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.380 1.477 0.741 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.257 2.692 1.318 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.390 1.545 0.557 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.164 -0.023 0.669 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.870 -0.680 -2.509 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.244 -1.184 -1.989 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.564 -1.072 -0.800 1.00 0.00 H new ATOM 861 N LEU A 59 -7.222 2.574 4.481 1.00 0.00 N ATOM 862 CA LEU A 59 -7.652 3.562 5.464 1.00 0.00 C ATOM 863 C LEU A 59 -6.935 4.891 5.250 1.00 0.00 C ATOM 864 O LEU A 59 -5.859 4.939 4.653 1.00 0.00 O ATOM 865 CB LEU A 59 -7.386 3.050 6.881 1.00 0.00 C ATOM 866 CG LEU A 59 -8.509 2.231 7.520 1.00 0.00 C ATOM 867 CD1 LEU A 59 -8.378 0.763 7.145 1.00 0.00 C ATOM 868 CD2 LEU A 59 -8.498 2.400 9.032 1.00 0.00 C ATOM 0 H LEU A 59 -6.230 2.342 4.523 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.723 3.722 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.483 2.439 6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.178 3.906 7.522 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.462 2.598 7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.185 0.196 7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.436 0.658 6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.419 0.382 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.303 1.810 9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.542 2.060 9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.641 3.451 9.282 1.00 0.00 H new ATOM 880 N VAL A 60 -7.537 5.969 5.741 1.00 0.00 N ATOM 881 CA VAL A 60 -6.955 7.299 5.606 1.00 0.00 C ATOM 882 C VAL A 60 -6.744 7.947 6.970 1.00 0.00 C ATOM 883 O VAL A 60 -7.699 8.369 7.622 1.00 0.00 O ATOM 884 CB VAL A 60 -7.844 8.216 4.746 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.237 9.607 4.645 1.00 0.00 C ATOM 886 CG2 VAL A 60 -8.050 7.614 3.364 1.00 0.00 C ATOM 0 H VAL A 60 -8.428 5.947 6.236 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.991 7.174 5.113 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.818 8.305 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.879 10.241 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.146 10.038 5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.250 9.541 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.681 8.275 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.085 7.494 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.532 6.641 3.459 1.00 0.00 H new ATOM 896 N ARG A 61 -5.487 8.024 7.394 1.00 0.00 N ATOM 897 CA ARG A 61 -5.150 8.621 8.681 1.00 0.00 C ATOM 898 C ARG A 61 -5.495 10.107 8.698 1.00 0.00 C ATOM 899 O ARG A 61 -6.016 10.643 7.721 1.00 0.00 O ATOM 900 CB ARG A 61 -3.663 8.428 8.983 1.00 0.00 C ATOM 901 CG ARG A 61 -3.276 6.981 9.243 1.00 0.00 C ATOM 902 CD ARG A 61 -3.609 6.563 10.667 1.00 0.00 C ATOM 903 NE ARG A 61 -2.536 6.895 11.600 1.00 0.00 N ATOM 904 CZ ARG A 61 -2.347 6.269 12.756 1.00 0.00 C ATOM 905 NH1 ARG A 61 -3.155 5.282 13.119 1.00 0.00 N ATOM 906 NH2 ARG A 61 -1.348 6.628 13.551 1.00 0.00 N ATOM 0 H ARG A 61 -4.685 7.681 6.865 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.738 8.120 9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.079 8.806 8.144 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.397 9.028 9.853 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.798 6.332 8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.209 6.851 9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.529 7.054 10.983 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.795 5.489 10.696 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.896 7.649 11.350 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.924 5.002 12.510 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.008 4.803 14.007 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.724 7.386 13.275 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.204 6.146 14.439 1.00 0.00 H new ATOM 920 N GLU A 62 -5.201 10.765 9.815 1.00 0.00 N ATOM 921 CA GLU A 62 -5.482 12.188 9.959 1.00 0.00 C ATOM 922 C GLU A 62 -4.319 13.028 9.437 1.00 0.00 C ATOM 923 O GLU A 62 -4.494 14.189 9.072 1.00 0.00 O ATOM 924 CB GLU A 62 -5.756 12.531 11.425 1.00 0.00 C ATOM 925 CG GLU A 62 -6.930 11.772 12.019 1.00 0.00 C ATOM 926 CD GLU A 62 -8.264 12.418 11.699 1.00 0.00 C ATOM 927 OE1 GLU A 62 -8.732 12.277 10.550 1.00 0.00 O ATOM 928 OE2 GLU A 62 -8.841 13.064 12.599 1.00 0.00 O ATOM 0 H GLU A 62 -4.769 10.335 10.633 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.368 12.419 9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.863 12.318 12.012 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.946 13.601 11.510 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.926 10.750 11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.810 11.712 13.101 1.00 0.00 H new ATOM 935 N ASN A 63 -3.133 12.430 9.408 1.00 0.00 N ATOM 936 CA ASN A 63 -1.940 13.123 8.932 1.00 0.00 C ATOM 937 C ASN A 63 -1.642 12.758 7.481 1.00 0.00 C ATOM 938 O ASN A 63 -0.538 12.985 6.987 1.00 0.00 O ATOM 939 CB ASN A 63 -0.739 12.776 9.814 1.00 0.00 C ATOM 940 CG ASN A 63 -0.642 13.668 11.036 1.00 0.00 C ATOM 941 OD1 ASN A 63 -0.310 14.849 10.933 1.00 0.00 O ATOM 942 ND2 ASN A 63 -0.933 13.105 12.203 1.00 0.00 N ATOM 0 H ASN A 63 -2.972 11.469 9.708 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.126 14.196 8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.814 11.736 10.132 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.176 12.866 9.229 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.886 13.655 13.061 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.204 12.122 12.242 1.00 0.00 H new ATOM 949 N GLY A 64 -2.636 12.193 6.802 1.00 0.00 N ATOM 950 CA GLY A 64 -2.460 11.807 5.414 1.00 0.00 C ATOM 951 C GLY A 64 -2.021 10.364 5.265 1.00 0.00 C ATOM 952 O GLY A 64 -2.342 9.709 4.273 1.00 0.00 O ATOM 0 H GLY A 64 -3.559 11.996 7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.397 11.956 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.720 12.459 4.950 1.00 0.00 H new ATOM 956 N VAL A 65 -1.281 9.867 6.251 1.00 0.00 N ATOM 957 CA VAL A 65 -0.796 8.492 6.225 1.00 0.00 C ATOM 958 C VAL A 65 -1.876 7.537 5.730 1.00 0.00 C ATOM 959 O VAL A 65 -3.068 7.773 5.930 1.00 0.00 O ATOM 960 CB VAL A 65 -0.324 8.037 7.619 1.00 0.00 C ATOM 961 CG1 VAL A 65 -0.199 6.522 7.672 1.00 0.00 C ATOM 962 CG2 VAL A 65 0.997 8.702 7.977 1.00 0.00 C ATOM 0 H VAL A 65 -1.004 10.396 7.078 1.00 0.00 H new ATOM 0 HA VAL A 65 0.049 8.468 5.537 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.069 8.342 8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.135 6.219 8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.168 6.069 7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.525 6.190 6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.316 8.369 8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.753 8.429 7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.870 9.785 7.982 1.00 0.00 H new ATOM 972 N HIS A 66 -1.451 6.457 5.082 1.00 0.00 N ATOM 973 CA HIS A 66 -2.383 5.464 4.558 1.00 0.00 C ATOM 974 C HIS A 66 -1.980 4.059 4.994 1.00 0.00 C ATOM 975 O HIS A 66 -0.839 3.824 5.391 1.00 0.00 O ATOM 976 CB HIS A 66 -2.438 5.541 3.032 1.00 0.00 C ATOM 977 CG HIS A 66 -3.460 6.508 2.517 1.00 0.00 C ATOM 978 ND1 HIS A 66 -3.657 7.757 3.066 1.00 0.00 N ATOM 979 CD2 HIS A 66 -4.342 6.403 1.496 1.00 0.00 C ATOM 980 CE1 HIS A 66 -4.619 8.378 2.407 1.00 0.00 C ATOM 981 NE2 HIS A 66 -5.051 7.578 1.449 1.00 0.00 N ATOM 0 H HIS A 66 -0.468 6.247 4.907 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.372 5.681 4.961 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.456 5.828 2.655 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.655 4.550 2.634 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -3.141 8.142 3.857 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.465 5.554 0.840 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.989 9.371 2.616 1.00 0.00 H new ATOM 989 N SER A 67 -2.926 3.127 4.918 1.00 0.00 N ATOM 990 CA SER A 67 -2.671 1.746 5.309 1.00 0.00 C ATOM 991 C SER A 67 -3.424 0.777 4.402 1.00 0.00 C ATOM 992 O SER A 67 -4.655 0.764 4.374 1.00 0.00 O ATOM 993 CB SER A 67 -3.082 1.522 6.766 1.00 0.00 C ATOM 994 OG SER A 67 -2.434 2.444 7.625 1.00 0.00 O ATOM 0 H SER A 67 -3.875 3.304 4.589 1.00 0.00 H new ATOM 0 HA SER A 67 -1.602 1.557 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.163 1.627 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.833 0.504 7.065 1.00 0.00 H new ATOM 0 HG SER A 67 -2.714 2.282 8.550 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.675 -0.033 3.662 1.00 0.00 N ATOM 1001 CA LEU A 68 -3.270 -1.007 2.753 1.00 0.00 C ATOM 1002 C LEU A 68 -3.201 -2.413 3.340 1.00 0.00 C ATOM 1003 O LEU A 68 -2.134 -3.027 3.381 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.559 -0.971 1.399 1.00 0.00 C ATOM 1005 CG LEU A 68 -2.808 -2.166 0.478 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.271 -2.226 0.067 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -1.910 -2.091 -0.748 1.00 0.00 C ATOM 0 H LEU A 68 -1.655 -0.035 3.673 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.318 -0.743 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.863 -0.065 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.486 -0.892 1.576 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.567 -3.078 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.430 -3.082 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.895 -2.328 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.538 -1.311 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.101 -2.949 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.119 -1.172 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.866 -2.097 -0.435 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.345 -2.917 3.790 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.414 -4.252 4.371 1.00 0.00 C ATOM 1021 C ILE A 69 -5.157 -5.214 3.451 1.00 0.00 C ATOM 1022 O ILE A 69 -6.331 -5.010 3.140 1.00 0.00 O ATOM 1023 CB ILE A 69 -5.110 -4.233 5.745 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.323 -3.365 6.728 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.261 -5.648 6.282 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -5.116 -2.968 7.953 1.00 0.00 C ATOM 0 H ILE A 69 -5.236 -2.421 3.763 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.387 -4.594 4.498 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.104 -3.803 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.430 -3.905 7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.986 -2.464 6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.754 -5.618 7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.860 -6.238 5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.277 -6.103 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.495 -2.354 8.605 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.995 -2.400 7.649 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.430 -3.864 8.489 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.466 -6.264 3.019 1.00 0.00 N ATOM 1039 CA ILE A 70 -5.062 -7.260 2.137 1.00 0.00 C ATOM 1040 C ILE A 70 -5.236 -8.595 2.853 1.00 0.00 C ATOM 1041 O ILE A 70 -4.276 -9.158 3.378 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.207 -7.475 0.874 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -3.867 -6.131 0.226 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.938 -8.375 -0.112 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.728 -6.210 -0.766 1.00 0.00 C ATOM 0 H ILE A 70 -3.493 -6.447 3.265 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.040 -6.878 1.844 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.276 -7.963 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.753 -5.746 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.609 -5.415 1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.322 -8.518 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.134 -9.341 0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.882 -7.911 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.542 -5.221 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.830 -6.565 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.991 -6.901 -1.567 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.467 -9.096 2.868 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.766 -10.366 3.518 1.00 0.00 C ATOM 1059 C GLU A 71 -8.123 -10.902 3.069 1.00 0.00 C ATOM 1060 O GLU A 71 -9.150 -10.232 3.179 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.749 -10.202 5.040 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.444 -11.489 5.788 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.626 -12.439 5.820 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.730 -12.028 5.407 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.445 -13.594 6.259 1.00 0.00 O ATOM 0 H GLU A 71 -7.273 -8.642 2.438 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.998 -11.082 3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.005 -9.451 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.717 -9.823 5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.596 -11.986 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.147 -11.250 6.809 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.128 -12.138 2.549 1.00 0.00 N ATOM 1073 CA PRO A 72 -6.911 -12.944 2.412 1.00 0.00 C ATOM 1074 C PRO A 72 -5.968 -12.394 1.347 1.00 0.00 C ATOM 1075 O PRO A 72 -6.154 -11.281 0.854 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.441 -14.319 1.998 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.749 -14.039 1.342 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.321 -12.844 2.054 1.00 0.00 C ATOM 0 HA PRO A 72 -6.325 -12.957 3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.754 -14.819 1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.563 -14.973 2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.617 -13.834 0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.417 -14.897 1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.908 -12.218 1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.980 -13.140 2.870 1.00 0.00 H new ATOM 1086 N VAL A 73 -4.955 -13.180 0.996 1.00 0.00 N ATOM 1087 CA VAL A 73 -3.984 -12.772 -0.011 1.00 0.00 C ATOM 1088 C VAL A 73 -3.897 -13.796 -1.137 1.00 0.00 C ATOM 1089 O VAL A 73 -3.914 -15.004 -0.896 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.584 -12.580 0.603 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.523 -12.547 -0.486 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.540 -11.311 1.441 1.00 0.00 C ATOM 0 H VAL A 73 -4.786 -14.103 1.395 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.329 -11.820 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.373 -13.427 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.541 -12.411 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.540 -13.486 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.726 -11.721 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.544 -11.191 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.772 -10.451 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.273 -11.380 2.245 1.00 0.00 H new ATOM 1102 N THR A 74 -3.802 -13.307 -2.370 1.00 0.00 N ATOM 1103 CA THR A 74 -3.713 -14.179 -3.534 1.00 0.00 C ATOM 1104 C THR A 74 -2.465 -13.873 -4.355 1.00 0.00 C ATOM 1105 O THR A 74 -1.823 -12.841 -4.165 1.00 0.00 O ATOM 1106 CB THR A 74 -4.954 -14.041 -4.436 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.036 -12.709 -4.956 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.223 -14.368 -3.663 1.00 0.00 C ATOM 0 H THR A 74 -3.785 -12.311 -2.588 1.00 0.00 H new ATOM 0 HA THR A 74 -3.657 -15.201 -3.160 1.00 0.00 H new ATOM 0 HB THR A 74 -4.857 -14.747 -5.261 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.827 -12.630 -5.530 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.086 -14.264 -4.320 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.170 -15.392 -3.293 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.323 -13.683 -2.821 1.00 0.00 H new ATOM 1116 N SER A 75 -2.128 -14.778 -5.269 1.00 0.00 N ATOM 1117 CA SER A 75 -0.955 -14.606 -6.118 1.00 0.00 C ATOM 1118 C SER A 75 -1.022 -13.284 -6.876 1.00 0.00 C ATOM 1119 O SER A 75 -0.015 -12.801 -7.394 1.00 0.00 O ATOM 1120 CB SER A 75 -0.839 -15.768 -7.106 1.00 0.00 C ATOM 1121 OG SER A 75 -0.705 -17.004 -6.426 1.00 0.00 O ATOM 0 H SER A 75 -2.650 -15.637 -5.440 1.00 0.00 H new ATOM 0 HA SER A 75 -0.073 -14.594 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.721 -15.795 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.022 -15.612 -7.756 1.00 0.00 H new ATOM 0 HG SER A 75 -0.634 -17.731 -7.079 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.216 -12.704 -6.937 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.416 -11.438 -7.632 1.00 0.00 C ATOM 1129 C ARG A 76 -1.854 -10.276 -6.819 1.00 0.00 C ATOM 1130 O ARG A 76 -1.302 -9.326 -7.375 1.00 0.00 O ATOM 1131 CB ARG A 76 -3.904 -11.211 -7.905 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.174 -10.265 -9.063 1.00 0.00 C ATOM 1133 CD ARG A 76 -5.651 -9.917 -9.166 1.00 0.00 C ATOM 1134 NE ARG A 76 -6.001 -9.402 -10.487 1.00 0.00 N ATOM 1135 CZ ARG A 76 -6.239 -10.179 -11.538 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -6.164 -11.497 -11.423 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -6.552 -9.636 -12.708 1.00 0.00 N ATOM 0 H ARG A 76 -3.060 -13.091 -6.514 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.882 -11.486 -8.581 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.377 -12.171 -8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.373 -10.813 -7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.592 -9.352 -8.932 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.841 -10.724 -9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.248 -10.804 -8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.902 -9.174 -8.409 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.066 -8.391 -10.609 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.923 -11.918 -10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.347 -12.091 -12.232 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.610 -8.622 -12.800 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.735 -10.233 -13.515 1.00 0.00 H new ATOM 1151 N ASP A 77 -1.998 -10.359 -5.501 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.504 -9.314 -4.611 1.00 0.00 C ATOM 1153 C ASP A 77 -0.005 -9.104 -4.799 1.00 0.00 C ATOM 1154 O ASP A 77 0.506 -8.002 -4.605 1.00 0.00 O ATOM 1155 CB ASP A 77 -1.804 -9.673 -3.155 1.00 0.00 C ATOM 1156 CG ASP A 77 -3.253 -9.427 -2.784 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -3.788 -8.361 -3.155 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -3.852 -10.301 -2.123 1.00 0.00 O ATOM 0 H ASP A 77 -2.452 -11.138 -5.025 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.016 -8.385 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.562 -10.722 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.160 -9.087 -2.499 1.00 0.00 H new ATOM 1163 N ALA A 78 0.694 -10.170 -5.175 1.00 0.00 N ATOM 1164 CA ALA A 78 2.134 -10.103 -5.390 1.00 0.00 C ATOM 1165 C ALA A 78 2.460 -9.428 -6.718 1.00 0.00 C ATOM 1166 O ALA A 78 1.980 -9.845 -7.771 1.00 0.00 O ATOM 1167 CB ALA A 78 2.741 -11.497 -5.340 1.00 0.00 C ATOM 0 H ALA A 78 0.286 -11.091 -5.337 1.00 0.00 H new ATOM 0 HA ALA A 78 2.568 -9.502 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.817 -11.431 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.548 -11.943 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.294 -12.117 -6.117 1.00 0.00 H new ATOM 1173 N GLY A 79 3.280 -8.383 -6.660 1.00 0.00 N ATOM 1174 CA GLY A 79 3.655 -7.667 -7.866 1.00 0.00 C ATOM 1175 C GLY A 79 4.296 -6.326 -7.568 1.00 0.00 C ATOM 1176 O GLY A 79 4.831 -6.115 -6.479 1.00 0.00 O ATOM 0 H GLY A 79 3.691 -8.020 -5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.348 -8.277 -8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.770 -7.514 -8.484 1.00 0.00 H new ATOM 1180 N ILE A 80 4.245 -5.419 -8.537 1.00 0.00 N ATOM 1181 CA ILE A 80 4.826 -4.093 -8.373 1.00 0.00 C ATOM 1182 C ILE A 80 3.751 -3.056 -8.063 1.00 0.00 C ATOM 1183 O ILE A 80 3.112 -2.519 -8.968 1.00 0.00 O ATOM 1184 CB ILE A 80 5.596 -3.656 -9.634 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.671 -4.686 -9.984 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.218 -2.283 -9.425 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.496 -5.126 -8.795 1.00 0.00 C ATOM 0 H ILE A 80 3.807 -5.578 -9.444 1.00 0.00 H new ATOM 0 HA ILE A 80 5.521 -4.154 -7.535 1.00 0.00 H new ATOM 0 HB ILE A 80 4.895 -3.593 -10.467 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.195 -5.560 -10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.334 -4.265 -10.740 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.759 -1.988 -10.324 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.433 -1.556 -9.218 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.909 -2.321 -8.583 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.238 -5.856 -9.117 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.001 -4.262 -8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.844 -5.577 -8.047 1.00 0.00 H new ATOM 1199 N TYR A 81 3.558 -2.779 -6.778 1.00 0.00 N ATOM 1200 CA TYR A 81 2.560 -1.807 -6.347 1.00 0.00 C ATOM 1201 C TYR A 81 3.039 -0.383 -6.609 1.00 0.00 C ATOM 1202 O TYR A 81 3.948 0.113 -5.942 1.00 0.00 O ATOM 1203 CB TYR A 81 2.250 -1.988 -4.860 1.00 0.00 C ATOM 1204 CG TYR A 81 1.306 -3.133 -4.574 1.00 0.00 C ATOM 1205 CD1 TYR A 81 -0.057 -3.014 -4.821 1.00 0.00 C ATOM 1206 CD2 TYR A 81 1.775 -4.334 -4.054 1.00 0.00 C ATOM 1207 CE1 TYR A 81 -0.924 -4.058 -4.560 1.00 0.00 C ATOM 1208 CE2 TYR A 81 0.915 -5.383 -3.792 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.433 -5.240 -4.046 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.293 -6.282 -3.785 1.00 0.00 O ATOM 0 H TYR A 81 4.079 -3.214 -6.017 1.00 0.00 H new ATOM 0 HA TYR A 81 1.651 -1.977 -6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.183 -2.153 -4.320 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.817 -1.066 -4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.445 -2.090 -5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.830 -4.449 -3.851 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.980 -3.949 -4.757 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.296 -6.310 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.776 -7.093 -3.596 1.00 0.00 H new ATOM 1220 N THR A 82 2.420 0.273 -7.586 1.00 0.00 N ATOM 1221 CA THR A 82 2.781 1.640 -7.937 1.00 0.00 C ATOM 1222 C THR A 82 1.858 2.645 -7.258 1.00 0.00 C ATOM 1223 O THR A 82 0.637 2.481 -7.261 1.00 0.00 O ATOM 1224 CB THR A 82 2.729 1.861 -9.461 1.00 0.00 C ATOM 1225 OG1 THR A 82 3.464 0.830 -10.130 1.00 0.00 O ATOM 1226 CG2 THR A 82 3.302 3.221 -9.831 1.00 0.00 C ATOM 0 H THR A 82 1.666 -0.121 -8.148 1.00 0.00 H new ATOM 0 HA THR A 82 3.802 1.796 -7.589 1.00 0.00 H new ATOM 0 HB THR A 82 1.686 1.827 -9.776 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.425 0.976 -11.098 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.255 3.354 -10.912 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.723 4.005 -9.343 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.340 3.280 -9.503 1.00 0.00 H new ATOM 1234 N CYS A 83 2.447 3.685 -6.679 1.00 0.00 N ATOM 1235 CA CYS A 83 1.676 4.718 -5.995 1.00 0.00 C ATOM 1236 C CYS A 83 2.129 6.109 -6.426 1.00 0.00 C ATOM 1237 O CYS A 83 3.306 6.328 -6.712 1.00 0.00 O ATOM 1238 CB CYS A 83 1.815 4.568 -4.480 1.00 0.00 C ATOM 1239 SG CYS A 83 0.541 5.434 -3.532 1.00 0.00 S ATOM 0 H CYS A 83 3.456 3.836 -6.669 1.00 0.00 H new ATOM 0 HA CYS A 83 0.628 4.597 -6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.784 3.508 -4.226 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.794 4.940 -4.177 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.568 5.452 -4.211 1.00 0.00 H new ATOM 1245 N ILE A 84 1.187 7.045 -6.470 1.00 0.00 N ATOM 1246 CA ILE A 84 1.490 8.415 -6.866 1.00 0.00 C ATOM 1247 C ILE A 84 0.806 9.418 -5.943 1.00 0.00 C ATOM 1248 O ILE A 84 -0.420 9.511 -5.911 1.00 0.00 O ATOM 1249 CB ILE A 84 1.055 8.691 -8.317 1.00 0.00 C ATOM 1250 CG1 ILE A 84 1.733 7.706 -9.272 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.384 10.124 -8.706 1.00 0.00 C ATOM 1252 CD1 ILE A 84 0.942 6.435 -9.492 1.00 0.00 C ATOM 0 H ILE A 84 0.208 6.880 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 84 2.571 8.533 -6.791 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.024 8.554 -8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.893 8.196 -10.233 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.716 7.449 -8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.070 10.303 -9.734 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.859 10.811 -8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.458 10.287 -8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.483 5.784 -10.179 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.804 5.923 -8.540 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.032 6.681 -9.916 1.00 0.00 H new ATOM 1264 N ALA A 85 1.609 10.167 -5.195 1.00 0.00 N ATOM 1265 CA ALA A 85 1.081 11.167 -4.274 1.00 0.00 C ATOM 1266 C ALA A 85 1.110 12.558 -4.897 1.00 0.00 C ATOM 1267 O ALA A 85 2.178 13.134 -5.107 1.00 0.00 O ATOM 1268 CB ALA A 85 1.870 11.153 -2.972 1.00 0.00 C ATOM 0 H ALA A 85 2.627 10.101 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 85 0.042 10.916 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.466 11.904 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.793 10.168 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.917 11.376 -3.178 1.00 0.00 H new ATOM 1274 N THR A 86 -0.070 13.093 -5.194 1.00 0.00 N ATOM 1275 CA THR A 86 -0.180 14.416 -5.796 1.00 0.00 C ATOM 1276 C THR A 86 -0.692 15.438 -4.787 1.00 0.00 C ATOM 1277 O THR A 86 -1.826 15.347 -4.319 1.00 0.00 O ATOM 1278 CB THR A 86 -1.118 14.401 -7.017 1.00 0.00 C ATOM 1279 OG1 THR A 86 -1.010 13.149 -7.703 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.782 15.538 -7.971 1.00 0.00 C ATOM 0 H THR A 86 -0.963 12.630 -5.027 1.00 0.00 H new ATOM 0 HA THR A 86 0.821 14.700 -6.120 1.00 0.00 H new ATOM 0 HB THR A 86 -2.140 14.534 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.611 13.147 -8.477 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.458 15.507 -8.826 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.894 16.491 -7.454 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.246 15.431 -8.317 1.00 0.00 H new ATOM 1288 N ASN A 87 0.150 16.412 -4.458 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.219 17.452 -3.505 1.00 0.00 C ATOM 1290 C ASN A 87 -0.157 18.831 -4.154 1.00 0.00 C ATOM 1291 O ASN A 87 0.588 19.046 -5.111 1.00 0.00 O ATOM 1292 CB ASN A 87 0.706 17.407 -2.287 1.00 0.00 C ATOM 1293 CG ASN A 87 0.362 18.470 -1.261 1.00 0.00 C ATOM 1294 OD1 ASN A 87 -0.810 18.727 -0.986 1.00 0.00 O ATOM 1295 ND2 ASN A 87 1.386 19.094 -0.690 1.00 0.00 N ATOM 0 H ASN A 87 1.092 16.503 -4.837 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.244 17.268 -3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.643 16.423 -1.822 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.738 17.540 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.217 19.819 0.007 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.342 18.848 -0.949 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.943 19.764 -3.626 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.979 21.122 -4.154 1.00 0.00 C ATOM 1304 C ARG A 88 0.425 21.605 -4.506 1.00 0.00 C ATOM 1305 O ARG A 88 0.597 22.483 -5.351 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.616 22.071 -3.137 1.00 0.00 C ATOM 1307 CG ARG A 88 -1.743 23.501 -3.635 1.00 0.00 C ATOM 1308 CD ARG A 88 -2.848 23.635 -4.670 1.00 0.00 C ATOM 1309 NE ARG A 88 -3.013 25.015 -5.120 1.00 0.00 N ATOM 1310 CZ ARG A 88 -3.857 25.380 -6.078 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -4.609 24.472 -6.685 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -3.950 26.656 -6.431 1.00 0.00 N ATOM 0 H ARG A 88 -1.564 19.604 -2.833 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.582 21.116 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.606 21.697 -2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.020 22.065 -2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.949 24.163 -2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.796 23.822 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.622 22.999 -5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.787 23.277 -4.247 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.449 25.738 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.540 23.490 -6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.256 24.755 -7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.373 27.357 -5.966 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.599 26.936 -7.167 1.00 0.00 H new ATOM 1326 N ALA A 89 1.426 21.026 -3.851 1.00 0.00 N ATOM 1327 CA ALA A 89 2.815 21.396 -4.096 1.00 0.00 C ATOM 1328 C ALA A 89 3.341 20.741 -5.368 1.00 0.00 C ATOM 1329 O ALA A 89 3.719 21.425 -6.319 1.00 0.00 O ATOM 1330 CB ALA A 89 3.681 21.012 -2.905 1.00 0.00 C ATOM 0 H ALA A 89 1.301 20.299 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 89 2.859 22.477 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.715 21.294 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.326 21.531 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.623 19.935 -2.745 1.00 0.00 H new ATOM 1336 N GLY A 90 3.364 19.412 -5.379 1.00 0.00 N ATOM 1337 CA GLY A 90 3.848 18.688 -6.539 1.00 0.00 C ATOM 1338 C GLY A 90 3.311 17.271 -6.604 1.00 0.00 C ATOM 1339 O GLY A 90 2.168 17.017 -6.225 1.00 0.00 O ATOM 0 H GLY A 90 3.056 18.824 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.561 19.224 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.937 18.660 -6.517 1.00 0.00 H new ATOM 1343 N GLN A 91 4.136 16.349 -7.087 1.00 0.00 N ATOM 1344 CA GLN A 91 3.736 14.951 -7.202 1.00 0.00 C ATOM 1345 C GLN A 91 4.931 14.025 -7.005 1.00 0.00 C ATOM 1346 O GLN A 91 6.059 14.368 -7.356 1.00 0.00 O ATOM 1347 CB GLN A 91 3.096 14.693 -8.567 1.00 0.00 C ATOM 1348 CG GLN A 91 2.955 13.217 -8.904 1.00 0.00 C ATOM 1349 CD GLN A 91 2.644 12.980 -10.368 1.00 0.00 C ATOM 1350 OE1 GLN A 91 3.526 13.064 -11.223 1.00 0.00 O ATOM 1351 NE2 GLN A 91 1.385 12.681 -10.666 1.00 0.00 N ATOM 0 H GLN A 91 5.085 16.544 -7.405 1.00 0.00 H new ATOM 0 HA GLN A 91 3.005 14.743 -6.420 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.111 15.158 -8.591 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.696 15.177 -9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.878 12.699 -8.644 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.163 12.783 -8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.686 12.622 -9.926 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.117 12.510 -11.635 1.00 0.00 H new ATOM 1360 N ASN A 92 4.676 12.849 -6.440 1.00 0.00 N ATOM 1361 CA ASN A 92 5.731 11.873 -6.195 1.00 0.00 C ATOM 1362 C ASN A 92 5.238 10.457 -6.474 1.00 0.00 C ATOM 1363 O ASN A 92 4.038 10.223 -6.618 1.00 0.00 O ATOM 1364 CB ASN A 92 6.226 11.977 -4.751 1.00 0.00 C ATOM 1365 CG ASN A 92 7.586 11.336 -4.558 1.00 0.00 C ATOM 1366 OD1 ASN A 92 7.700 10.115 -4.454 1.00 0.00 O ATOM 1367 ND2 ASN A 92 8.627 12.160 -4.509 1.00 0.00 N ATOM 0 H ASN A 92 3.747 12.549 -6.143 1.00 0.00 H new ATOM 0 HA ASN A 92 6.557 12.091 -6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.278 13.027 -4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.505 11.500 -4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.567 11.787 -4.381 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.486 13.166 -4.600 1.00 0.00 H new ATOM 1374 N SER A 93 6.172 9.514 -6.549 1.00 0.00 N ATOM 1375 CA SER A 93 5.834 8.121 -6.815 1.00 0.00 C ATOM 1376 C SER A 93 6.892 7.185 -6.238 1.00 0.00 C ATOM 1377 O SER A 93 8.043 7.577 -6.042 1.00 0.00 O ATOM 1378 CB SER A 93 5.694 7.886 -8.320 1.00 0.00 C ATOM 1379 OG SER A 93 6.847 8.328 -9.014 1.00 0.00 O ATOM 0 H SER A 93 7.170 9.690 -6.429 1.00 0.00 H new ATOM 0 HA SER A 93 4.881 7.906 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.534 6.825 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.816 8.413 -8.694 1.00 0.00 H new ATOM 0 HG SER A 93 6.734 8.165 -9.974 1.00 0.00 H new ATOM 1385 N PHE A 94 6.493 5.947 -5.968 1.00 0.00 N ATOM 1386 CA PHE A 94 7.406 4.954 -5.412 1.00 0.00 C ATOM 1387 C PHE A 94 6.971 3.542 -5.794 1.00 0.00 C ATOM 1388 O PHE A 94 5.783 3.222 -5.781 1.00 0.00 O ATOM 1389 CB PHE A 94 7.471 5.086 -3.889 1.00 0.00 C ATOM 1390 CG PHE A 94 6.446 4.256 -3.172 1.00 0.00 C ATOM 1391 CD1 PHE A 94 5.179 4.758 -2.923 1.00 0.00 C ATOM 1392 CD2 PHE A 94 6.749 2.973 -2.745 1.00 0.00 C ATOM 1393 CE1 PHE A 94 4.233 3.997 -2.263 1.00 0.00 C ATOM 1394 CE2 PHE A 94 5.807 2.207 -2.085 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.548 2.720 -1.842 1.00 0.00 C ATOM 0 H PHE A 94 5.544 5.607 -6.125 1.00 0.00 H new ATOM 0 HA PHE A 94 8.397 5.135 -5.828 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.465 4.795 -3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.335 6.133 -3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 94 4.927 5.757 -3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.733 2.567 -2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 94 3.249 4.400 -2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.055 1.208 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.811 2.124 -1.324 1.00 0.00 H new ATOM 1405 N SER A 95 7.943 2.702 -6.134 1.00 0.00 N ATOM 1406 CA SER A 95 7.662 1.325 -6.524 1.00 0.00 C ATOM 1407 C SER A 95 8.167 0.347 -5.467 1.00 0.00 C ATOM 1408 O SER A 95 9.121 0.635 -4.743 1.00 0.00 O ATOM 1409 CB SER A 95 8.309 1.013 -7.874 1.00 0.00 C ATOM 1410 OG SER A 95 9.721 1.094 -7.795 1.00 0.00 O ATOM 0 H SER A 95 8.932 2.951 -6.147 1.00 0.00 H new ATOM 0 HA SER A 95 6.581 1.212 -6.612 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.017 0.014 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.943 1.712 -8.626 1.00 0.00 H new ATOM 0 HG SER A 95 10.110 0.888 -8.671 1.00 0.00 H new ATOM 1416 N LEU A 96 7.520 -0.810 -5.384 1.00 0.00 N ATOM 1417 CA LEU A 96 7.903 -1.833 -4.416 1.00 0.00 C ATOM 1418 C LEU A 96 7.592 -3.228 -4.947 1.00 0.00 C ATOM 1419 O LEU A 96 6.706 -3.401 -5.783 1.00 0.00 O ATOM 1420 CB LEU A 96 7.175 -1.605 -3.090 1.00 0.00 C ATOM 1421 CG LEU A 96 5.724 -2.083 -3.030 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.666 -3.599 -2.932 1.00 0.00 C ATOM 1423 CD2 LEU A 96 5.000 -1.442 -1.854 1.00 0.00 C ATOM 0 H LEU A 96 6.728 -1.064 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 96 8.978 -1.759 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.735 -2.106 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.195 -0.538 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 96 5.222 -1.779 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.626 -3.921 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.147 -4.039 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.183 -3.925 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.969 -1.793 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.501 -1.715 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.011 -0.358 -1.967 1.00 0.00 H new ATOM 1435 N GLU A 97 8.325 -4.221 -4.453 1.00 0.00 N ATOM 1436 CA GLU A 97 8.126 -5.602 -4.877 1.00 0.00 C ATOM 1437 C GLU A 97 7.597 -6.453 -3.726 1.00 0.00 C ATOM 1438 O GLU A 97 8.107 -6.391 -2.607 1.00 0.00 O ATOM 1439 CB GLU A 97 9.436 -6.192 -5.402 1.00 0.00 C ATOM 1440 CG GLU A 97 9.305 -7.623 -5.895 1.00 0.00 C ATOM 1441 CD GLU A 97 10.382 -7.997 -6.895 1.00 0.00 C ATOM 1442 OE1 GLU A 97 11.568 -8.028 -6.506 1.00 0.00 O ATOM 1443 OE2 GLU A 97 10.038 -8.259 -8.066 1.00 0.00 O ATOM 0 H GLU A 97 9.062 -4.095 -3.759 1.00 0.00 H new ATOM 0 HA GLU A 97 7.388 -5.606 -5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.805 -5.568 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.184 -6.157 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.353 -8.302 -5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.326 -7.757 -6.355 1.00 0.00 H new ATOM 1450 N LEU A 98 6.571 -7.248 -4.010 1.00 0.00 N ATOM 1451 CA LEU A 98 5.971 -8.113 -2.999 1.00 0.00 C ATOM 1452 C LEU A 98 5.902 -9.556 -3.489 1.00 0.00 C ATOM 1453 O LEU A 98 5.318 -9.841 -4.534 1.00 0.00 O ATOM 1454 CB LEU A 98 4.569 -7.616 -2.642 1.00 0.00 C ATOM 1455 CG LEU A 98 3.705 -8.577 -1.824 1.00 0.00 C ATOM 1456 CD1 LEU A 98 4.241 -8.702 -0.406 1.00 0.00 C ATOM 1457 CD2 LEU A 98 2.257 -8.110 -1.809 1.00 0.00 C ATOM 0 H LEU A 98 6.137 -7.312 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 98 6.599 -8.081 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.666 -6.684 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.042 -7.382 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 98 3.745 -9.560 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.613 -9.390 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.262 -9.083 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.232 -7.723 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.656 -8.805 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.200 -7.117 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.876 -8.073 -2.830 1.00 0.00 H new ATOM 1469 N VAL A 99 6.502 -10.464 -2.725 1.00 0.00 N ATOM 1470 CA VAL A 99 6.506 -11.878 -3.079 1.00 0.00 C ATOM 1471 C VAL A 99 5.464 -12.649 -2.276 1.00 0.00 C ATOM 1472 O VAL A 99 5.242 -12.371 -1.098 1.00 0.00 O ATOM 1473 CB VAL A 99 7.890 -12.511 -2.843 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.905 -13.956 -3.320 1.00 0.00 C ATOM 1475 CG2 VAL A 99 8.973 -11.700 -3.539 1.00 0.00 C ATOM 0 H VAL A 99 6.991 -10.245 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 99 6.262 -11.939 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 99 8.095 -12.505 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.891 -14.387 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.157 -14.528 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.678 -13.990 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.944 -12.162 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.775 -11.672 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.977 -10.684 -3.144 1.00 0.00 H new ATOM 1485 N VAL A 100 4.826 -13.619 -2.923 1.00 0.00 N ATOM 1486 CA VAL A 100 3.807 -14.432 -2.270 1.00 0.00 C ATOM 1487 C VAL A 100 3.978 -15.907 -2.612 1.00 0.00 C ATOM 1488 O VAL A 100 3.937 -16.293 -3.780 1.00 0.00 O ATOM 1489 CB VAL A 100 2.389 -13.984 -2.671 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.356 -15.000 -2.207 1.00 0.00 C ATOM 1491 CG2 VAL A 100 2.085 -12.606 -2.103 1.00 0.00 C ATOM 0 H VAL A 100 4.997 -13.861 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 100 3.933 -14.294 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 100 2.341 -13.923 -3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.360 -14.666 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.564 -15.966 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.402 -15.096 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.079 -12.305 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.152 -12.638 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.806 -11.886 -2.490 1.00 0.00 H new ATOM 1501 N ALA A 101 4.169 -16.729 -1.586 1.00 0.00 N ATOM 1502 CA ALA A 101 4.344 -18.164 -1.778 1.00 0.00 C ATOM 1503 C ALA A 101 3.012 -18.899 -1.665 1.00 0.00 C ATOM 1504 O ALA A 101 2.330 -18.814 -0.645 1.00 0.00 O ATOM 1505 CB ALA A 101 5.339 -18.714 -0.767 1.00 0.00 C ATOM 0 H ALA A 101 4.207 -16.426 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 101 4.735 -18.326 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.460 -19.786 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.301 -18.218 -0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.970 -18.533 0.242 1.00 0.00 H new ATOM 1511 N ALA A 102 2.648 -19.619 -2.721 1.00 0.00 N ATOM 1512 CA ALA A 102 1.399 -20.370 -2.740 1.00 0.00 C ATOM 1513 C ALA A 102 1.482 -21.597 -1.839 1.00 0.00 C ATOM 1514 O ALA A 102 2.563 -22.139 -1.608 1.00 0.00 O ATOM 1515 CB ALA A 102 1.052 -20.781 -4.163 1.00 0.00 C ATOM 0 H ALA A 102 3.201 -19.698 -3.575 1.00 0.00 H new ATOM 0 HA ALA A 102 0.610 -19.723 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.117 -21.341 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.941 -19.891 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.849 -21.406 -4.566 1.00 0.00 H new ATOM 1521 N LYS A 103 0.334 -22.030 -1.329 1.00 0.00 N ATOM 1522 CA LYS A 103 0.276 -23.193 -0.453 1.00 0.00 C ATOM 1523 C LYS A 103 1.263 -24.265 -0.904 1.00 0.00 C ATOM 1524 O LYS A 103 1.882 -24.937 -0.080 1.00 0.00 O ATOM 1525 CB LYS A 103 -1.142 -23.769 -0.429 1.00 0.00 C ATOM 1526 CG LYS A 103 -1.608 -24.294 -1.776 1.00 0.00 C ATOM 1527 CD LYS A 103 -3.094 -24.612 -1.767 1.00 0.00 C ATOM 1528 CE LYS A 103 -3.548 -25.191 -3.098 1.00 0.00 C ATOM 1529 NZ LYS A 103 -4.856 -25.893 -2.980 1.00 0.00 N ATOM 0 H LYS A 103 -0.570 -21.592 -1.508 1.00 0.00 H new ATOM 0 HA LYS A 103 0.549 -22.872 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.185 -24.577 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.833 -22.997 -0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.398 -23.554 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.045 -25.191 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.311 -25.321 -0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.660 -23.706 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.630 -24.390 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.794 -25.887 -3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.131 -26.273 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.771 -26.673 -2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.581 -25.223 -2.652 1.00 0.00 H new ATOM 1543 N GLU A 104 1.407 -24.416 -2.217 1.00 0.00 N ATOM 1544 CA GLU A 104 2.320 -25.405 -2.777 1.00 0.00 C ATOM 1545 C GLU A 104 2.976 -24.881 -4.051 1.00 0.00 C ATOM 1546 O GLU A 104 2.295 -24.527 -5.013 1.00 0.00 O ATOM 1547 CB GLU A 104 1.576 -26.709 -3.072 1.00 0.00 C ATOM 1548 CG GLU A 104 1.407 -27.603 -1.856 1.00 0.00 C ATOM 1549 CD GLU A 104 2.616 -28.484 -1.607 1.00 0.00 C ATOM 1550 OE1 GLU A 104 3.649 -27.959 -1.142 1.00 0.00 O ATOM 1551 OE2 GLU A 104 2.529 -29.701 -1.878 1.00 0.00 O ATOM 0 H GLU A 104 0.903 -23.866 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 104 3.100 -25.599 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.592 -26.472 -3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.115 -27.258 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.226 -26.984 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.526 -28.231 -1.991 1.00 0.00 H new ATOM 1558 N SER A 105 4.305 -24.833 -4.049 1.00 0.00 N ATOM 1559 CA SER A 105 5.054 -24.348 -5.202 1.00 0.00 C ATOM 1560 C SER A 105 6.367 -25.110 -5.356 1.00 0.00 C ATOM 1561 O SER A 105 7.034 -25.425 -4.372 1.00 0.00 O ATOM 1562 CB SER A 105 5.334 -22.851 -5.062 1.00 0.00 C ATOM 1563 OG SER A 105 4.168 -22.088 -5.318 1.00 0.00 O ATOM 0 H SER A 105 4.885 -25.124 -3.262 1.00 0.00 H new ATOM 0 HA SER A 105 4.450 -24.515 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.698 -22.638 -4.057 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.123 -22.559 -5.755 1.00 0.00 H new ATOM 0 HG SER A 105 3.400 -22.688 -5.421 1.00 0.00 H new ATOM 1569 N GLY A 106 6.731 -25.404 -6.601 1.00 0.00 N ATOM 1570 CA GLY A 106 7.961 -26.127 -6.863 1.00 0.00 C ATOM 1571 C GLY A 106 8.599 -25.727 -8.179 1.00 0.00 C ATOM 1572 O GLY A 106 8.524 -26.447 -9.174 1.00 0.00 O ATOM 0 H GLY A 106 6.196 -25.154 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.665 -25.946 -6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.755 -27.197 -6.873 1.00 0.00 H new ATOM 1576 N PRO A 107 9.244 -24.551 -8.195 1.00 0.00 N ATOM 1577 CA PRO A 107 9.910 -24.029 -9.392 1.00 0.00 C ATOM 1578 C PRO A 107 11.155 -24.829 -9.758 1.00 0.00 C ATOM 1579 O PRO A 107 12.109 -24.899 -8.983 1.00 0.00 O ATOM 1580 CB PRO A 107 10.289 -22.601 -8.994 1.00 0.00 C ATOM 1581 CG PRO A 107 10.395 -22.638 -7.508 1.00 0.00 C ATOM 1582 CD PRO A 107 9.374 -23.640 -7.045 1.00 0.00 C ATOM 0 HA PRO A 107 9.269 -24.084 -10.272 1.00 0.00 H new ATOM 0 HB2 PRO A 107 11.232 -22.300 -9.451 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.534 -21.886 -9.319 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.398 -22.930 -7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 107 10.200 -21.655 -7.078 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.705 -24.167 -6.150 1.00 0.00 H new ATOM 0 HD3 PRO A 107 8.425 -23.163 -6.801 1.00 0.00 H new ATOM 1590 N SER A 108 11.141 -25.429 -10.944 1.00 0.00 N ATOM 1591 CA SER A 108 12.269 -26.227 -11.411 1.00 0.00 C ATOM 1592 C SER A 108 13.453 -25.335 -11.769 1.00 0.00 C ATOM 1593 O SER A 108 13.337 -24.432 -12.598 1.00 0.00 O ATOM 1594 CB SER A 108 11.860 -27.064 -12.625 1.00 0.00 C ATOM 1595 OG SER A 108 12.775 -28.124 -12.844 1.00 0.00 O ATOM 0 H SER A 108 10.361 -25.378 -11.599 1.00 0.00 H new ATOM 0 HA SER A 108 12.570 -26.894 -10.604 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.860 -27.469 -12.472 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.815 -26.429 -13.510 1.00 0.00 H new ATOM 0 HG SER A 108 12.491 -28.645 -13.624 1.00 0.00 H new ATOM 1601 N SER A 109 14.594 -25.595 -11.139 1.00 0.00 N ATOM 1602 CA SER A 109 15.800 -24.814 -11.387 1.00 0.00 C ATOM 1603 C SER A 109 16.258 -24.967 -12.834 1.00 0.00 C ATOM 1604 O SER A 109 16.131 -26.038 -13.427 1.00 0.00 O ATOM 1605 CB SER A 109 16.919 -25.248 -10.438 1.00 0.00 C ATOM 1606 OG SER A 109 17.339 -26.573 -10.717 1.00 0.00 O ATOM 0 H SER A 109 14.709 -26.341 -10.453 1.00 0.00 H new ATOM 0 HA SER A 109 15.567 -23.765 -11.206 1.00 0.00 H new ATOM 0 HB2 SER A 109 17.765 -24.567 -10.533 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.571 -25.183 -9.407 1.00 0.00 H new ATOM 0 HG SER A 109 18.056 -26.826 -10.098 1.00 0.00 H new ATOM 1612 N GLY A 110 16.792 -23.887 -13.397 1.00 0.00 N ATOM 1613 CA GLY A 110 17.261 -23.921 -14.770 1.00 0.00 C ATOM 1614 C GLY A 110 16.330 -24.697 -15.681 1.00 0.00 C ATOM 1615 O GLY A 110 15.901 -24.190 -16.718 1.00 0.00 O ATOM 0 H GLY A 110 16.908 -22.989 -12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 110 17.362 -22.901 -15.142 1.00 0.00 H new ATOM 0 HA3 GLY A 110 18.253 -24.371 -14.801 1.00 0.00 H new TER 1619 GLY A 110