USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=28 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 82 THR OG1 : rot -78:sc= 0.0246 USER MOD Set 1.2: A 95 SER OG : rot 180:sc= 0.0253 USER MOD Set 2.1: A 42 SER OG : rot -80:sc= 0.0616 USER MOD Set 2.2: A 44 GLN : amide:sc= -5.43! C(o=-5.4!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -52:sc= 0.14 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.976 X(o=-0.98,f=-1.2) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.294 K(o=-0.29,f=-0.99) 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 144:sc= -0.0423 (180deg=-0.471) USER MOD Single : A 31 CYS SG : rot 24:sc= 0.246 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0175) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= 0.3 (180deg=0.197) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0.565 K(o=0.56,f=-8.1!) USER MOD Single : A 57 LYS NZ :NH3+ -154:sc= -0.435 (180deg=-1.57!) USER MOD Single : A 58 MET CE :methyl -170:sc= -0.192 (180deg=-0.311) USER MOD Single : A 63 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.7!) USER MOD Single : A 66 HIS : no HD1:sc= -1.25 X(o=-1.2,f=-1.5) USER MOD Single : A 67 SER OG : rot -15:sc= 0.846 USER MOD Single : A 74 THR OG1 : rot -46:sc= 0.0537 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 138:sc= 0.718 USER MOD Single : A 83 CYS SG : rot 2:sc= -1.71 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -3.86! C(o=-3.9!,f=-4.6!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.352 K(o=-0.35,f=-7.1!) USER MOD Single : A 93 SER OG : rot 68:sc= 1.06 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 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 -2.528 33.550 9.459 1.00 0.00 N ATOM 2 CA GLY A 1 -2.460 34.101 8.119 1.00 0.00 C ATOM 3 C GLY A 1 -3.519 33.525 7.200 1.00 0.00 C ATOM 4 O GLY A 1 -3.686 32.308 7.121 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.784 33.976 10.048 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.459 33.759 9.873 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.390 32.520 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.576 35.184 8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.473 33.905 7.699 1.00 0.00 H new ATOM 8 N SER A 2 -4.238 34.400 6.505 1.00 0.00 N ATOM 9 CA SER A 2 -5.291 33.971 5.592 1.00 0.00 C ATOM 10 C SER A 2 -4.724 33.693 4.203 1.00 0.00 C ATOM 11 O SER A 2 -3.998 34.513 3.641 1.00 0.00 O ATOM 12 CB SER A 2 -6.385 35.037 5.505 1.00 0.00 C ATOM 13 OG SER A 2 -7.164 35.066 6.688 1.00 0.00 O ATOM 0 H SER A 2 -4.111 35.411 6.557 1.00 0.00 H new ATOM 0 HA SER A 2 -5.723 33.049 5.981 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.932 36.015 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.027 34.834 4.648 1.00 0.00 H new ATOM 0 HG SER A 2 -7.855 35.756 6.608 1.00 0.00 H new ATOM 19 N SER A 3 -5.062 32.530 3.655 1.00 0.00 N ATOM 20 CA SER A 3 -4.585 32.141 2.333 1.00 0.00 C ATOM 21 C SER A 3 -3.067 32.263 2.246 1.00 0.00 C ATOM 22 O SER A 3 -2.530 32.773 1.263 1.00 0.00 O ATOM 23 CB SER A 3 -5.241 33.006 1.255 1.00 0.00 C ATOM 24 OG SER A 3 -5.057 32.443 -0.032 1.00 0.00 O ATOM 0 H SER A 3 -5.664 31.841 4.106 1.00 0.00 H new ATOM 0 HA SER A 3 -4.858 31.099 2.167 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.306 33.106 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.816 34.009 1.281 1.00 0.00 H new ATOM 0 HG SER A 3 -4.104 32.264 -0.178 1.00 0.00 H new ATOM 30 N GLY A 4 -2.381 31.791 3.282 1.00 0.00 N ATOM 31 CA GLY A 4 -0.931 31.857 3.304 1.00 0.00 C ATOM 32 C GLY A 4 -0.297 30.542 3.713 1.00 0.00 C ATOM 33 O GLY A 4 0.421 30.476 4.710 1.00 0.00 O ATOM 0 H GLY A 4 -2.803 31.364 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.568 32.140 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.616 32.639 3.995 1.00 0.00 H new ATOM 37 N SER A 5 -0.565 29.493 2.943 1.00 0.00 N ATOM 38 CA SER A 5 -0.020 28.172 3.234 1.00 0.00 C ATOM 39 C SER A 5 1.113 27.827 2.272 1.00 0.00 C ATOM 40 O SER A 5 0.875 27.415 1.136 1.00 0.00 O ATOM 41 CB SER A 5 -1.119 27.112 3.145 1.00 0.00 C ATOM 42 OG SER A 5 -1.971 27.164 4.276 1.00 0.00 O ATOM 0 H SER A 5 -1.156 29.532 2.113 1.00 0.00 H new ATOM 0 HA SER A 5 0.379 28.187 4.248 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.704 27.265 2.238 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.669 26.122 3.070 1.00 0.00 H new ATOM 0 HG SER A 5 -2.666 26.478 4.194 1.00 0.00 H new ATOM 48 N SER A 6 2.347 27.999 2.735 1.00 0.00 N ATOM 49 CA SER A 6 3.518 27.711 1.915 1.00 0.00 C ATOM 50 C SER A 6 3.386 26.349 1.239 1.00 0.00 C ATOM 51 O SER A 6 3.822 26.162 0.104 1.00 0.00 O ATOM 52 CB SER A 6 4.787 27.748 2.770 1.00 0.00 C ATOM 53 OG SER A 6 4.802 26.685 3.707 1.00 0.00 O ATOM 0 H SER A 6 2.562 28.336 3.673 1.00 0.00 H new ATOM 0 HA SER A 6 3.587 28.476 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.665 27.682 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.848 28.701 3.296 1.00 0.00 H new ATOM 0 HG SER A 6 5.623 26.730 4.240 1.00 0.00 H new ATOM 59 N GLY A 7 2.781 25.400 1.947 1.00 0.00 N ATOM 60 CA GLY A 7 2.603 24.068 1.401 1.00 0.00 C ATOM 61 C GLY A 7 3.912 23.317 1.263 1.00 0.00 C ATOM 62 O GLY A 7 4.960 23.920 1.028 1.00 0.00 O ATOM 0 H GLY A 7 2.411 25.530 2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.929 23.502 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.125 24.140 0.424 1.00 0.00 H new ATOM 66 N PHE A 8 3.854 21.998 1.411 1.00 0.00 N ATOM 67 CA PHE A 8 5.046 21.164 1.304 1.00 0.00 C ATOM 68 C PHE A 8 4.904 20.155 0.168 1.00 0.00 C ATOM 69 O PHE A 8 3.794 19.760 -0.191 1.00 0.00 O ATOM 70 CB PHE A 8 5.301 20.431 2.622 1.00 0.00 C ATOM 71 CG PHE A 8 4.952 21.242 3.837 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.605 22.436 4.100 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.970 20.812 4.715 1.00 0.00 C ATOM 74 CE1 PHE A 8 5.285 23.184 5.217 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.647 21.556 5.834 1.00 0.00 C ATOM 76 CZ PHE A 8 4.304 22.745 6.084 1.00 0.00 C ATOM 0 H PHE A 8 2.995 21.483 1.605 1.00 0.00 H new ATOM 0 HA PHE A 8 5.894 21.813 1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.722 19.508 2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.352 20.148 2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.372 22.785 3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.451 19.885 4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.802 24.112 5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.882 21.208 6.512 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.051 23.330 6.956 1.00 0.00 H new ATOM 86 N ARG A 9 6.035 19.743 -0.395 1.00 0.00 N ATOM 87 CA ARG A 9 6.037 18.782 -1.492 1.00 0.00 C ATOM 88 C ARG A 9 5.743 17.374 -0.982 1.00 0.00 C ATOM 89 O ARG A 9 6.228 16.955 0.069 1.00 0.00 O ATOM 90 CB ARG A 9 7.385 18.804 -2.214 1.00 0.00 C ATOM 91 CG ARG A 9 7.339 18.201 -3.608 1.00 0.00 C ATOM 92 CD ARG A 9 8.676 18.339 -4.320 1.00 0.00 C ATOM 93 NE ARG A 9 9.019 19.736 -4.573 1.00 0.00 N ATOM 94 CZ ARG A 9 9.645 20.510 -3.694 1.00 0.00 C ATOM 95 NH1 ARG A 9 9.995 20.026 -2.511 1.00 0.00 N ATOM 96 NH2 ARG A 9 9.923 21.771 -3.999 1.00 0.00 N ATOM 0 H ARG A 9 6.962 20.059 -0.110 1.00 0.00 H new ATOM 0 HA ARG A 9 5.252 19.067 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.733 19.835 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.117 18.261 -1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.069 17.147 -3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.562 18.693 -4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.458 17.877 -3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.641 17.797 -5.265 1.00 0.00 H new ATOM 0 HE ARG A 9 8.764 20.139 -5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.784 19.057 -2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.476 20.623 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.656 22.146 -4.909 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.404 22.365 -3.323 1.00 0.00 H new ATOM 110 N PRO A 10 4.930 16.627 -1.742 1.00 0.00 N ATOM 111 CA PRO A 10 4.553 15.255 -1.387 1.00 0.00 C ATOM 112 C PRO A 10 5.721 14.283 -1.509 1.00 0.00 C ATOM 113 O PRO A 10 6.091 13.876 -2.612 1.00 0.00 O ATOM 114 CB PRO A 10 3.463 14.912 -2.406 1.00 0.00 C ATOM 115 CG PRO A 10 3.746 15.792 -3.575 1.00 0.00 C ATOM 116 CD PRO A 10 4.316 17.063 -3.008 1.00 0.00 C ATOM 0 HA PRO A 10 4.226 15.177 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.499 13.859 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.469 15.100 -2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.451 15.319 -4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.837 15.991 -4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.051 17.508 -3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.541 17.812 -2.842 1.00 0.00 H new ATOM 124 N HIS A 11 6.299 13.914 -0.371 1.00 0.00 N ATOM 125 CA HIS A 11 7.426 12.988 -0.351 1.00 0.00 C ATOM 126 C HIS A 11 7.235 11.923 0.725 1.00 0.00 C ATOM 127 O HIS A 11 6.858 12.229 1.856 1.00 0.00 O ATOM 128 CB HIS A 11 8.732 13.745 -0.108 1.00 0.00 C ATOM 129 CG HIS A 11 9.802 12.908 0.521 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.291 11.754 -0.054 1.00 0.00 N ATOM 131 CD2 HIS A 11 10.479 13.063 1.683 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.221 11.235 0.728 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.355 12.011 1.788 1.00 0.00 N ATOM 0 H HIS A 11 6.006 14.242 0.549 1.00 0.00 H new ATOM 0 HA HIS A 11 7.476 12.495 -1.322 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.098 14.135 -1.058 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.531 14.604 0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.353 13.865 2.395 1.00 0.00 H new ATOM 0 HE1 HIS A 11 11.777 10.330 0.533 1.00 0.00 H new ATOM 0 HE2 HIS A 11 12.004 11.854 2.559 1.00 0.00 H new ATOM 141 N PHE A 12 7.496 10.671 0.364 1.00 0.00 N ATOM 142 CA PHE A 12 7.351 9.560 1.298 1.00 0.00 C ATOM 143 C PHE A 12 8.567 9.456 2.213 1.00 0.00 C ATOM 144 O PHE A 12 9.667 9.127 1.768 1.00 0.00 O ATOM 145 CB PHE A 12 7.159 8.247 0.535 1.00 0.00 C ATOM 146 CG PHE A 12 5.940 8.236 -0.342 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.703 7.885 0.172 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.032 8.576 -1.682 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.579 7.874 -0.632 1.00 0.00 C ATOM 150 CE2 PHE A 12 4.912 8.568 -2.492 1.00 0.00 C ATOM 151 CZ PHE A 12 3.684 8.215 -1.967 1.00 0.00 C ATOM 0 H PHE A 12 7.809 10.400 -0.568 1.00 0.00 H new ATOM 0 HA PHE A 12 6.471 9.748 1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.040 8.061 -0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.090 7.427 1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.616 7.616 1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.990 8.850 -2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.620 7.599 -0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.997 8.837 -3.534 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.808 8.206 -2.599 1.00 0.00 H new ATOM 161 N LEU A 13 8.361 9.741 3.494 1.00 0.00 N ATOM 162 CA LEU A 13 9.441 9.681 4.474 1.00 0.00 C ATOM 163 C LEU A 13 9.780 8.235 4.823 1.00 0.00 C ATOM 164 O LEU A 13 10.950 7.865 4.904 1.00 0.00 O ATOM 165 CB LEU A 13 9.049 10.444 5.740 1.00 0.00 C ATOM 166 CG LEU A 13 8.865 11.954 5.584 1.00 0.00 C ATOM 167 CD1 LEU A 13 8.228 12.546 6.831 1.00 0.00 C ATOM 168 CD2 LEU A 13 10.198 12.627 5.293 1.00 0.00 C ATOM 0 H LEU A 13 7.457 10.016 3.879 1.00 0.00 H new ATOM 0 HA LEU A 13 10.324 10.146 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.119 10.022 6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.813 10.268 6.498 1.00 0.00 H new ATOM 0 HG LEU A 13 8.199 12.134 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.105 13.621 6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.253 12.086 6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.868 12.355 7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.047 13.701 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.888 12.438 6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.615 12.225 4.370 1.00 0.00 H new ATOM 180 N GLN A 14 8.747 7.423 5.026 1.00 0.00 N ATOM 181 CA GLN A 14 8.937 6.017 5.364 1.00 0.00 C ATOM 182 C GLN A 14 8.193 5.116 4.383 1.00 0.00 C ATOM 183 O GLN A 14 6.965 5.134 4.318 1.00 0.00 O ATOM 184 CB GLN A 14 8.455 5.745 6.790 1.00 0.00 C ATOM 185 CG GLN A 14 9.531 5.948 7.845 1.00 0.00 C ATOM 186 CD GLN A 14 9.000 5.802 9.257 1.00 0.00 C ATOM 187 OE1 GLN A 14 9.264 4.806 9.932 1.00 0.00 O ATOM 188 NE2 GLN A 14 8.245 6.795 9.712 1.00 0.00 N ATOM 0 H GLN A 14 7.771 7.714 4.962 1.00 0.00 H new ATOM 0 HA GLN A 14 10.002 5.794 5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.613 6.401 7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.087 4.721 6.851 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.331 5.225 7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.968 6.939 7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.052 7.602 9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.859 6.751 10.655 1.00 0.00 H new ATOM 197 N ALA A 15 8.947 4.330 3.621 1.00 0.00 N ATOM 198 CA ALA A 15 8.360 3.421 2.645 1.00 0.00 C ATOM 199 C ALA A 15 8.770 1.979 2.922 1.00 0.00 C ATOM 200 O ALA A 15 9.880 1.699 3.373 1.00 0.00 O ATOM 201 CB ALA A 15 8.766 3.826 1.236 1.00 0.00 C ATOM 0 H ALA A 15 9.966 4.305 3.661 1.00 0.00 H new ATOM 0 HA ALA A 15 7.275 3.486 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.320 3.138 0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.417 4.839 1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.852 3.792 1.146 1.00 0.00 H new ATOM 207 N PRO A 16 7.853 1.039 2.646 1.00 0.00 N ATOM 208 CA PRO A 16 8.097 -0.391 2.858 1.00 0.00 C ATOM 209 C PRO A 16 9.116 -0.957 1.875 1.00 0.00 C ATOM 210 O PRO A 16 9.681 -0.227 1.063 1.00 0.00 O ATOM 211 CB PRO A 16 6.722 -1.023 2.627 1.00 0.00 C ATOM 212 CG PRO A 16 6.012 -0.069 1.730 1.00 0.00 C ATOM 213 CD PRO A 16 6.508 1.300 2.106 1.00 0.00 C ATOM 0 HA PRO A 16 8.513 -0.592 3.845 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.811 -2.007 2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.185 -1.157 3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.223 -0.287 0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.932 -0.142 1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.543 1.965 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.862 1.772 2.846 1.00 0.00 H new ATOM 221 N GLY A 17 9.345 -2.264 1.955 1.00 0.00 N ATOM 222 CA GLY A 17 10.296 -2.906 1.066 1.00 0.00 C ATOM 223 C GLY A 17 9.787 -4.230 0.532 1.00 0.00 C ATOM 224 O GLY A 17 8.582 -4.418 0.366 1.00 0.00 O ATOM 0 H GLY A 17 8.889 -2.890 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.514 -2.241 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.234 -3.068 1.598 1.00 0.00 H new ATOM 228 N ASP A 18 10.707 -5.149 0.260 1.00 0.00 N ATOM 229 CA ASP A 18 10.345 -6.463 -0.260 1.00 0.00 C ATOM 230 C ASP A 18 9.874 -7.381 0.863 1.00 0.00 C ATOM 231 O ASP A 18 10.682 -7.901 1.634 1.00 0.00 O ATOM 232 CB ASP A 18 11.535 -7.093 -0.986 1.00 0.00 C ATOM 233 CG ASP A 18 12.839 -6.900 -0.237 1.00 0.00 C ATOM 234 OD1 ASP A 18 12.810 -6.893 1.011 1.00 0.00 O ATOM 235 OD2 ASP A 18 13.888 -6.754 -0.899 1.00 0.00 O ATOM 0 H ASP A 18 11.709 -5.009 0.391 1.00 0.00 H new ATOM 0 HA ASP A 18 9.525 -6.334 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.351 -8.159 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.623 -6.656 -1.981 1.00 0.00 H new ATOM 240 N LEU A 19 8.563 -7.576 0.950 1.00 0.00 N ATOM 241 CA LEU A 19 7.984 -8.431 1.980 1.00 0.00 C ATOM 242 C LEU A 19 7.557 -9.774 1.397 1.00 0.00 C ATOM 243 O LEU A 19 7.324 -9.895 0.193 1.00 0.00 O ATOM 244 CB LEU A 19 6.783 -7.740 2.629 1.00 0.00 C ATOM 245 CG LEU A 19 7.044 -6.353 3.217 1.00 0.00 C ATOM 246 CD1 LEU A 19 5.755 -5.747 3.749 1.00 0.00 C ATOM 247 CD2 LEU A 19 8.093 -6.429 4.317 1.00 0.00 C ATOM 0 H LEU A 19 7.881 -7.154 0.320 1.00 0.00 H new ATOM 0 HA LEU A 19 8.746 -8.610 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.992 -7.654 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.404 -8.384 3.423 1.00 0.00 H new ATOM 0 HG LEU A 19 7.424 -5.709 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.961 -4.760 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.033 -5.656 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.345 -6.390 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.266 -5.433 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.741 -7.089 5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.024 -6.820 3.906 1.00 0.00 H new ATOM 259 N THR A 20 7.455 -10.782 2.258 1.00 0.00 N ATOM 260 CA THR A 20 7.056 -12.116 1.828 1.00 0.00 C ATOM 261 C THR A 20 5.898 -12.641 2.670 1.00 0.00 C ATOM 262 O THR A 20 6.011 -12.767 3.889 1.00 0.00 O ATOM 263 CB THR A 20 8.230 -13.110 1.915 1.00 0.00 C ATOM 264 OG1 THR A 20 9.407 -12.527 1.344 1.00 0.00 O ATOM 265 CG2 THR A 20 7.897 -14.406 1.191 1.00 0.00 C ATOM 0 H THR A 20 7.643 -10.699 3.257 1.00 0.00 H new ATOM 0 HA THR A 20 6.738 -12.031 0.789 1.00 0.00 H new ATOM 0 HB THR A 20 8.410 -13.336 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.150 -13.164 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.741 -15.092 1.266 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.018 -14.861 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.694 -14.194 0.141 1.00 0.00 H new ATOM 273 N VAL A 21 4.785 -12.947 2.011 1.00 0.00 N ATOM 274 CA VAL A 21 3.606 -13.461 2.699 1.00 0.00 C ATOM 275 C VAL A 21 2.941 -14.572 1.894 1.00 0.00 C ATOM 276 O VAL A 21 2.577 -14.380 0.735 1.00 0.00 O ATOM 277 CB VAL A 21 2.577 -12.344 2.958 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.227 -12.938 3.332 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.074 -11.405 4.046 1.00 0.00 C ATOM 0 H VAL A 21 4.675 -12.848 1.002 1.00 0.00 H new ATOM 0 HA VAL A 21 3.946 -13.862 3.654 1.00 0.00 H new ATOM 0 HB VAL A 21 2.453 -11.768 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.513 -12.134 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.868 -13.567 2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.332 -13.539 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.335 -10.622 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.228 -11.966 4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.016 -10.953 3.735 1.00 0.00 H new ATOM 289 N GLN A 22 2.786 -15.735 2.519 1.00 0.00 N ATOM 290 CA GLN A 22 2.165 -16.879 1.860 1.00 0.00 C ATOM 291 C GLN A 22 0.706 -16.588 1.528 1.00 0.00 C ATOM 292 O GLN A 22 0.037 -15.835 2.235 1.00 0.00 O ATOM 293 CB GLN A 22 2.261 -18.120 2.749 1.00 0.00 C ATOM 294 CG GLN A 22 1.840 -19.402 2.050 1.00 0.00 C ATOM 295 CD GLN A 22 1.479 -20.506 3.025 1.00 0.00 C ATOM 296 OE1 GLN A 22 0.372 -20.538 3.562 1.00 0.00 O ATOM 297 NE2 GLN A 22 2.414 -21.420 3.257 1.00 0.00 N ATOM 0 H GLN A 22 3.081 -15.910 3.479 1.00 0.00 H new ATOM 0 HA GLN A 22 2.700 -17.066 0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.288 -18.227 3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.637 -17.975 3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.985 -19.197 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.650 -19.743 1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.318 -21.355 2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.228 -22.188 3.902 1.00 0.00 H new ATOM 306 N GLU A 23 0.219 -17.190 0.447 1.00 0.00 N ATOM 307 CA GLU A 23 -1.162 -16.994 0.021 1.00 0.00 C ATOM 308 C GLU A 23 -2.132 -17.325 1.151 1.00 0.00 C ATOM 309 O GLU A 23 -1.902 -18.248 1.932 1.00 0.00 O ATOM 310 CB GLU A 23 -1.470 -17.862 -1.201 1.00 0.00 C ATOM 311 CG GLU A 23 -2.909 -17.753 -1.678 1.00 0.00 C ATOM 312 CD GLU A 23 -3.318 -18.912 -2.566 1.00 0.00 C ATOM 313 OE1 GLU A 23 -3.690 -19.973 -2.024 1.00 0.00 O ATOM 314 OE2 GLU A 23 -3.267 -18.756 -3.804 1.00 0.00 O ATOM 0 H GLU A 23 0.760 -17.817 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.287 -15.945 -0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.804 -17.578 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.254 -18.903 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.572 -17.710 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.037 -16.819 -2.224 1.00 0.00 H new ATOM 321 N GLY A 24 -3.220 -16.565 1.232 1.00 0.00 N ATOM 322 CA GLY A 24 -4.209 -16.792 2.269 1.00 0.00 C ATOM 323 C GLY A 24 -3.768 -16.257 3.618 1.00 0.00 C ATOM 324 O GLY A 24 -4.151 -16.789 4.660 1.00 0.00 O ATOM 0 H GLY A 24 -3.434 -15.796 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.147 -16.317 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.405 -17.861 2.352 1.00 0.00 H new ATOM 328 N LYS A 25 -2.959 -15.203 3.599 1.00 0.00 N ATOM 329 CA LYS A 25 -2.465 -14.596 4.828 1.00 0.00 C ATOM 330 C LYS A 25 -2.721 -13.092 4.834 1.00 0.00 C ATOM 331 O LYS A 25 -3.116 -12.516 3.819 1.00 0.00 O ATOM 332 CB LYS A 25 -0.968 -14.870 4.991 1.00 0.00 C ATOM 333 CG LYS A 25 -0.638 -16.335 5.214 1.00 0.00 C ATOM 334 CD LYS A 25 -0.947 -16.765 6.638 1.00 0.00 C ATOM 335 CE LYS A 25 -0.574 -18.221 6.874 1.00 0.00 C ATOM 336 NZ LYS A 25 -0.183 -18.471 8.289 1.00 0.00 N ATOM 0 H LYS A 25 -2.632 -14.752 2.745 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.003 -15.041 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.444 -14.520 4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.591 -14.289 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.208 -16.948 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.417 -16.508 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.402 -16.131 7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.009 -16.623 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.418 -18.859 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.250 -18.496 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.064 -19.474 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.638 -17.881 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.978 -18.233 8.916 1.00 0.00 H new ATOM 350 N LEU A 26 -2.491 -12.461 5.980 1.00 0.00 N ATOM 351 CA LEU A 26 -2.696 -11.023 6.117 1.00 0.00 C ATOM 352 C LEU A 26 -1.437 -10.255 5.726 1.00 0.00 C ATOM 353 O LEU A 26 -0.346 -10.538 6.223 1.00 0.00 O ATOM 354 CB LEU A 26 -3.092 -10.679 7.554 1.00 0.00 C ATOM 355 CG LEU A 26 -3.023 -9.199 7.932 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.576 -8.740 8.033 1.00 0.00 C ATOM 357 CD2 LEU A 26 -3.783 -8.354 6.921 1.00 0.00 C ATOM 0 H LEU A 26 -2.162 -12.922 6.828 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.502 -10.729 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.110 -11.030 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.446 -11.237 8.231 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.492 -9.071 8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.547 -7.684 8.303 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.062 -9.324 8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.081 -8.883 7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.723 -7.304 7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.344 -8.487 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.828 -8.665 6.899 1.00 0.00 H new ATOM 369 N CYS A 27 -1.597 -9.283 4.836 1.00 0.00 N ATOM 370 CA CYS A 27 -0.473 -8.472 4.379 1.00 0.00 C ATOM 371 C CYS A 27 -0.686 -7.002 4.727 1.00 0.00 C ATOM 372 O CYS A 27 -1.437 -6.297 4.053 1.00 0.00 O ATOM 373 CB CYS A 27 -0.284 -8.629 2.870 1.00 0.00 C ATOM 374 SG CYS A 27 0.836 -7.414 2.136 1.00 0.00 S ATOM 0 H CYS A 27 -2.493 -9.037 4.416 1.00 0.00 H new ATOM 0 HA CYS A 27 0.425 -8.821 4.888 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.097 -9.629 2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.256 -8.552 2.383 1.00 0.00 H new ATOM 0 HG CYS A 27 0.933 -7.630 0.858 1.00 0.00 H new ATOM 380 N ARG A 28 -0.023 -6.548 5.785 1.00 0.00 N ATOM 381 CA ARG A 28 -0.142 -5.163 6.224 1.00 0.00 C ATOM 382 C ARG A 28 1.018 -4.323 5.697 1.00 0.00 C ATOM 383 O ARG A 28 2.128 -4.824 5.518 1.00 0.00 O ATOM 384 CB ARG A 28 -0.183 -5.092 7.752 1.00 0.00 C ATOM 385 CG ARG A 28 -1.588 -5.173 8.327 1.00 0.00 C ATOM 386 CD ARG A 28 -1.566 -5.553 9.799 1.00 0.00 C ATOM 387 NE ARG A 28 -2.822 -6.164 10.225 1.00 0.00 N ATOM 388 CZ ARG A 28 -3.181 -6.296 11.498 1.00 0.00 C ATOM 389 NH1 ARG A 28 -2.383 -5.862 12.463 1.00 0.00 N ATOM 390 NH2 ARG A 28 -4.340 -6.864 11.806 1.00 0.00 N ATOM 0 H ARG A 28 0.602 -7.119 6.354 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.072 -4.760 5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.416 -5.906 8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.280 -4.160 8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.088 -4.212 8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.169 -5.907 7.769 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.745 -6.246 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.373 -4.664 10.400 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.459 -6.508 9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.491 -5.426 12.230 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.661 -5.964 13.439 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.956 -7.200 11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.615 -6.965 12.783 1.00 0.00 H new ATOM 404 N MET A 29 0.752 -3.045 5.449 1.00 0.00 N ATOM 405 CA MET A 29 1.775 -2.136 4.943 1.00 0.00 C ATOM 406 C MET A 29 1.555 -0.722 5.471 1.00 0.00 C ATOM 407 O MET A 29 0.430 -0.222 5.484 1.00 0.00 O ATOM 408 CB MET A 29 1.768 -2.129 3.413 1.00 0.00 C ATOM 409 CG MET A 29 2.019 -3.496 2.798 1.00 0.00 C ATOM 410 SD MET A 29 2.823 -3.395 1.187 1.00 0.00 S ATOM 411 CE MET A 29 1.420 -3.606 0.094 1.00 0.00 C ATOM 0 H MET A 29 -0.162 -2.615 5.590 1.00 0.00 H new ATOM 0 HA MET A 29 2.745 -2.488 5.293 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.806 -1.754 3.064 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.529 -1.434 3.058 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.639 -4.086 3.473 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.071 -4.023 2.694 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.552 -2.985 -0.792 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.345 -4.652 -0.204 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.508 -3.310 0.612 1.00 0.00 H new ATOM 421 N ASP A 30 2.635 -0.084 5.906 1.00 0.00 N ATOM 422 CA ASP A 30 2.560 1.273 6.435 1.00 0.00 C ATOM 423 C ASP A 30 3.346 2.243 5.558 1.00 0.00 C ATOM 424 O ASP A 30 4.480 1.962 5.168 1.00 0.00 O ATOM 425 CB ASP A 30 3.094 1.316 7.868 1.00 0.00 C ATOM 426 CG ASP A 30 4.607 1.394 7.920 1.00 0.00 C ATOM 427 OD1 ASP A 30 5.267 0.456 7.426 1.00 0.00 O ATOM 428 OD2 ASP A 30 5.130 2.394 8.454 1.00 0.00 O ATOM 0 H ASP A 30 3.573 -0.484 5.903 1.00 0.00 H new ATOM 0 HA ASP A 30 1.513 1.578 6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.671 2.177 8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.760 0.427 8.404 1.00 0.00 H new ATOM 433 N CYS A 31 2.736 3.382 5.250 1.00 0.00 N ATOM 434 CA CYS A 31 3.378 4.392 4.417 1.00 0.00 C ATOM 435 C CYS A 31 3.007 5.797 4.881 1.00 0.00 C ATOM 436 O CYS A 31 1.837 6.092 5.126 1.00 0.00 O ATOM 437 CB CYS A 31 2.980 4.204 2.952 1.00 0.00 C ATOM 438 SG CYS A 31 1.225 4.493 2.622 1.00 0.00 S ATOM 0 H CYS A 31 1.798 3.629 5.565 1.00 0.00 H new ATOM 0 HA CYS A 31 4.457 4.271 4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.571 4.882 2.336 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.235 3.190 2.645 1.00 0.00 H new ATOM 0 HG CYS A 31 0.732 5.266 3.543 1.00 0.00 H new ATOM 444 N LYS A 32 4.010 6.659 5.003 1.00 0.00 N ATOM 445 CA LYS A 32 3.790 8.033 5.439 1.00 0.00 C ATOM 446 C LYS A 32 4.263 9.022 4.378 1.00 0.00 C ATOM 447 O LYS A 32 5.312 8.833 3.762 1.00 0.00 O ATOM 448 CB LYS A 32 4.522 8.295 6.757 1.00 0.00 C ATOM 449 CG LYS A 32 3.912 9.417 7.578 1.00 0.00 C ATOM 450 CD LYS A 32 4.495 10.768 7.197 1.00 0.00 C ATOM 451 CE LYS A 32 4.378 11.767 8.338 1.00 0.00 C ATOM 452 NZ LYS A 32 5.455 11.584 9.349 1.00 0.00 N ATOM 0 H LYS A 32 4.984 6.430 4.806 1.00 0.00 H new ATOM 0 HA LYS A 32 2.720 8.173 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.523 7.381 7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.563 8.537 6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.832 9.431 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.087 9.230 8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.543 10.649 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.977 11.154 6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.423 12.780 7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.406 11.657 8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.229 12.137 10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.529 10.577 9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.360 11.910 8.955 1.00 0.00 H new ATOM 466 N VAL A 33 3.482 10.078 4.171 1.00 0.00 N ATOM 467 CA VAL A 33 3.822 11.099 3.186 1.00 0.00 C ATOM 468 C VAL A 33 3.524 12.496 3.718 1.00 0.00 C ATOM 469 O VAL A 33 2.409 12.779 4.157 1.00 0.00 O ATOM 470 CB VAL A 33 3.052 10.887 1.869 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.553 10.862 2.125 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.412 11.969 0.863 1.00 0.00 C ATOM 0 H VAL A 33 2.610 10.249 4.672 1.00 0.00 H new ATOM 0 HA VAL A 33 4.891 11.008 2.991 1.00 0.00 H new ATOM 0 HB VAL A 33 3.340 9.923 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.025 10.711 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.314 10.048 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.243 11.809 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.859 11.804 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.153 12.946 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.482 11.933 0.658 1.00 0.00 H new ATOM 482 N SER A 34 4.527 13.366 3.675 1.00 0.00 N ATOM 483 CA SER A 34 4.374 14.735 4.156 1.00 0.00 C ATOM 484 C SER A 34 3.914 15.657 3.031 1.00 0.00 C ATOM 485 O SER A 34 4.376 15.549 1.896 1.00 0.00 O ATOM 486 CB SER A 34 5.692 15.243 4.741 1.00 0.00 C ATOM 487 OG SER A 34 5.485 16.392 5.544 1.00 0.00 O ATOM 0 H SER A 34 5.455 13.148 3.312 1.00 0.00 H new ATOM 0 HA SER A 34 3.614 14.737 4.938 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.155 14.457 5.338 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.384 15.480 3.933 1.00 0.00 H new ATOM 0 HG SER A 34 6.343 16.696 5.907 1.00 0.00 H new ATOM 493 N GLY A 35 2.999 16.566 3.356 1.00 0.00 N ATOM 494 CA GLY A 35 2.491 17.494 2.363 1.00 0.00 C ATOM 495 C GLY A 35 1.273 18.254 2.850 1.00 0.00 C ATOM 496 O GLY A 35 0.465 17.724 3.613 1.00 0.00 O ATOM 0 H GLY A 35 2.601 16.676 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.275 18.203 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.235 16.947 1.456 1.00 0.00 H new ATOM 500 N LEU A 36 1.141 19.501 2.410 1.00 0.00 N ATOM 501 CA LEU A 36 0.014 20.337 2.807 1.00 0.00 C ATOM 502 C LEU A 36 -0.552 21.093 1.609 1.00 0.00 C ATOM 503 O LEU A 36 0.155 21.825 0.916 1.00 0.00 O ATOM 504 CB LEU A 36 0.444 21.326 3.892 1.00 0.00 C ATOM 505 CG LEU A 36 -0.647 22.258 4.422 1.00 0.00 C ATOM 506 CD1 LEU A 36 -0.233 22.861 5.755 1.00 0.00 C ATOM 507 CD2 LEU A 36 -0.950 23.353 3.410 1.00 0.00 C ATOM 0 H LEU A 36 1.801 19.955 1.778 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.766 19.687 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.850 20.760 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.256 21.937 3.497 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.554 21.673 4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.022 23.521 6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.067 22.063 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.687 23.431 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.728 24.007 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.048 23.935 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.291 22.903 2.478 1.00 0.00 H new ATOM 519 N PRO A 37 -1.858 20.915 1.360 1.00 0.00 N ATOM 520 CA PRO A 37 -2.709 20.046 2.178 1.00 0.00 C ATOM 521 C PRO A 37 -2.373 18.570 1.997 1.00 0.00 C ATOM 522 O PRO A 37 -1.356 18.222 1.397 1.00 0.00 O ATOM 523 CB PRO A 37 -4.119 20.341 1.660 1.00 0.00 C ATOM 524 CG PRO A 37 -3.918 20.817 0.263 1.00 0.00 C ATOM 525 CD PRO A 37 -2.604 21.549 0.260 1.00 0.00 C ATOM 0 HA PRO A 37 -2.583 20.238 3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.746 19.449 1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.614 21.098 2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.900 19.980 -0.436 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.731 21.474 -0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.085 21.440 -0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.739 22.617 0.429 1.00 0.00 H new ATOM 533 N THR A 38 -3.235 17.703 2.520 1.00 0.00 N ATOM 534 CA THR A 38 -3.030 16.264 2.417 1.00 0.00 C ATOM 535 C THR A 38 -2.840 15.838 0.966 1.00 0.00 C ATOM 536 O THR A 38 -3.694 16.068 0.110 1.00 0.00 O ATOM 537 CB THR A 38 -4.213 15.483 3.019 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.378 15.830 4.399 1.00 0.00 O ATOM 539 CG2 THR A 38 -3.993 13.983 2.891 1.00 0.00 C ATOM 0 H THR A 38 -4.082 17.973 3.019 1.00 0.00 H new ATOM 0 HA THR A 38 -2.127 16.033 2.982 1.00 0.00 H new ATOM 0 HB THR A 38 -5.114 15.750 2.467 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.133 15.330 4.774 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.842 13.453 3.323 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.897 13.718 1.838 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.082 13.702 3.420 1.00 0.00 H new ATOM 547 N PRO A 39 -1.695 15.202 0.680 1.00 0.00 N ATOM 548 CA PRO A 39 -1.367 14.729 -0.668 1.00 0.00 C ATOM 549 C PRO A 39 -2.241 13.556 -1.099 1.00 0.00 C ATOM 550 O PRO A 39 -2.410 12.589 -0.356 1.00 0.00 O ATOM 551 CB PRO A 39 0.094 14.290 -0.544 1.00 0.00 C ATOM 552 CG PRO A 39 0.269 13.955 0.897 1.00 0.00 C ATOM 553 CD PRO A 39 -0.631 14.894 1.652 1.00 0.00 C ATOM 0 HA PRO A 39 -1.532 15.499 -1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.304 13.429 -1.179 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.774 15.085 -0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.001 12.917 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.308 14.079 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.032 14.429 2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.101 15.793 1.966 1.00 0.00 H new ATOM 561 N ASP A 40 -2.792 13.648 -2.304 1.00 0.00 N ATOM 562 CA ASP A 40 -3.648 12.593 -2.835 1.00 0.00 C ATOM 563 C ASP A 40 -2.817 11.510 -3.516 1.00 0.00 C ATOM 564 O ASP A 40 -2.095 11.778 -4.477 1.00 0.00 O ATOM 565 CB ASP A 40 -4.657 13.176 -3.826 1.00 0.00 C ATOM 566 CG ASP A 40 -5.960 12.401 -3.848 1.00 0.00 C ATOM 567 OD1 ASP A 40 -6.031 11.379 -4.563 1.00 0.00 O ATOM 568 OD2 ASP A 40 -6.909 12.816 -3.150 1.00 0.00 O ATOM 0 H ASP A 40 -2.662 14.442 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.187 12.143 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.860 14.215 -3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.221 13.177 -4.825 1.00 0.00 H new ATOM 573 N LEU A 41 -2.922 10.286 -3.010 1.00 0.00 N ATOM 574 CA LEU A 41 -2.179 9.161 -3.569 1.00 0.00 C ATOM 575 C LEU A 41 -3.121 8.027 -3.960 1.00 0.00 C ATOM 576 O LEU A 41 -4.141 7.801 -3.309 1.00 0.00 O ATOM 577 CB LEU A 41 -1.146 8.656 -2.560 1.00 0.00 C ATOM 578 CG LEU A 41 -1.696 8.190 -1.212 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.756 7.180 -0.572 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.915 9.378 -0.286 1.00 0.00 C ATOM 0 H LEU A 41 -3.514 10.047 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.664 9.506 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.600 7.828 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.424 9.453 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.657 7.705 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.164 6.860 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.649 6.316 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.220 7.640 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.307 9.028 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.968 9.892 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.628 10.067 -0.740 1.00 0.00 H new ATOM 592 N SER A 42 -2.770 7.315 -5.026 1.00 0.00 N ATOM 593 CA SER A 42 -3.585 6.204 -5.505 1.00 0.00 C ATOM 594 C SER A 42 -2.743 4.941 -5.661 1.00 0.00 C ATOM 595 O SER A 42 -1.592 4.998 -6.094 1.00 0.00 O ATOM 596 CB SER A 42 -4.238 6.563 -6.841 1.00 0.00 C ATOM 597 OG SER A 42 -5.140 5.552 -7.256 1.00 0.00 O ATOM 0 H SER A 42 -1.927 7.487 -5.574 1.00 0.00 H new ATOM 0 HA SER A 42 -4.364 6.012 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.768 7.511 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.468 6.702 -7.600 1.00 0.00 H new ATOM 0 HG SER A 42 -4.639 4.813 -7.661 1.00 0.00 H new ATOM 603 N TRP A 43 -3.327 3.802 -5.304 1.00 0.00 N ATOM 604 CA TRP A 43 -2.632 2.524 -5.404 1.00 0.00 C ATOM 605 C TRP A 43 -2.796 1.921 -6.795 1.00 0.00 C ATOM 606 O TRP A 43 -3.898 1.895 -7.342 1.00 0.00 O ATOM 607 CB TRP A 43 -3.158 1.551 -4.348 1.00 0.00 C ATOM 608 CG TRP A 43 -2.896 2.001 -2.942 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.691 2.807 -2.178 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.760 1.672 -2.135 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.118 2.999 -0.944 1.00 0.00 N ATOM 612 CE2 TRP A 43 -1.933 2.313 -0.892 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.615 0.898 -2.339 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -1.003 2.203 0.138 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.307 0.790 -1.316 1.00 0.00 C ATOM 616 CH2 TRP A 43 0.109 1.438 -0.090 1.00 0.00 C ATOM 0 H TRP A 43 -4.279 3.738 -4.943 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.571 2.702 -5.229 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.231 1.421 -4.486 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.697 0.575 -4.501 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.632 3.231 -2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.511 3.561 -0.189 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.454 0.393 -3.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.153 2.703 1.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.196 0.195 -1.464 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.848 1.332 0.690 1.00 0.00 H new ATOM 627 N GLN A 44 -1.694 1.440 -7.360 1.00 0.00 N ATOM 628 CA GLN A 44 -1.718 0.838 -8.688 1.00 0.00 C ATOM 629 C GLN A 44 -1.082 -0.548 -8.670 1.00 0.00 C ATOM 630 O GLN A 44 0.063 -0.711 -8.246 1.00 0.00 O ATOM 631 CB GLN A 44 -0.989 1.734 -9.691 1.00 0.00 C ATOM 632 CG GLN A 44 -1.811 2.926 -10.152 1.00 0.00 C ATOM 633 CD GLN A 44 -1.764 4.082 -9.172 1.00 0.00 C ATOM 634 OE1 GLN A 44 -2.550 4.141 -8.226 1.00 0.00 O ATOM 635 NE2 GLN A 44 -0.840 5.010 -9.394 1.00 0.00 N ATOM 0 H GLN A 44 -0.774 1.455 -6.920 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.759 0.735 -8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.065 2.094 -9.239 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.708 1.139 -10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.444 3.262 -11.122 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.846 2.616 -10.293 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.209 4.921 -10.190 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.761 5.811 -8.768 1.00 0.00 H new ATOM 644 N LEU A 45 -1.830 -1.543 -9.131 1.00 0.00 N ATOM 645 CA LEU A 45 -1.339 -2.917 -9.168 1.00 0.00 C ATOM 646 C LEU A 45 -1.228 -3.417 -10.604 1.00 0.00 C ATOM 647 O LEU A 45 -2.236 -3.653 -11.270 1.00 0.00 O ATOM 648 CB LEU A 45 -2.267 -3.832 -8.367 1.00 0.00 C ATOM 649 CG LEU A 45 -1.982 -5.331 -8.468 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.666 -5.671 -7.785 1.00 0.00 C ATOM 651 CD2 LEU A 45 -3.123 -6.133 -7.861 1.00 0.00 C ATOM 0 H LEU A 45 -2.779 -1.425 -9.485 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.346 -2.934 -8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.213 -3.542 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.291 -3.654 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.900 -5.596 -9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.480 -6.742 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.145 -5.124 -8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.719 -5.391 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.903 -7.197 -7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.238 -5.865 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.047 -5.912 -8.395 1.00 0.00 H new ATOM 663 N ASP A 46 0.004 -3.579 -11.075 1.00 0.00 N ATOM 664 CA ASP A 46 0.247 -4.055 -12.432 1.00 0.00 C ATOM 665 C ASP A 46 -0.271 -3.054 -13.460 1.00 0.00 C ATOM 666 O ASP A 46 -0.818 -3.437 -14.493 1.00 0.00 O ATOM 667 CB ASP A 46 -0.419 -5.415 -12.645 1.00 0.00 C ATOM 668 CG ASP A 46 0.193 -6.185 -13.799 1.00 0.00 C ATOM 669 OD1 ASP A 46 1.398 -6.506 -13.727 1.00 0.00 O ATOM 670 OD2 ASP A 46 -0.534 -6.467 -14.775 1.00 0.00 O ATOM 0 H ASP A 46 0.849 -3.388 -10.537 1.00 0.00 H new ATOM 0 HA ASP A 46 1.323 -4.162 -12.566 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.334 -6.005 -11.732 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.483 -5.270 -12.832 1.00 0.00 H new ATOM 675 N GLY A 47 -0.094 -1.769 -13.169 1.00 0.00 N ATOM 676 CA GLY A 47 -0.550 -0.733 -14.077 1.00 0.00 C ATOM 677 C GLY A 47 -2.061 -0.616 -14.110 1.00 0.00 C ATOM 678 O GLY A 47 -2.650 -0.371 -15.164 1.00 0.00 O ATOM 0 H GLY A 47 0.357 -1.427 -12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.121 0.223 -13.777 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.183 -0.947 -15.081 1.00 0.00 H new ATOM 682 N LYS A 48 -2.693 -0.792 -12.955 1.00 0.00 N ATOM 683 CA LYS A 48 -4.145 -0.705 -12.855 1.00 0.00 C ATOM 684 C LYS A 48 -4.565 -0.178 -11.486 1.00 0.00 C ATOM 685 O LYS A 48 -3.948 -0.476 -10.463 1.00 0.00 O ATOM 686 CB LYS A 48 -4.777 -2.077 -13.100 1.00 0.00 C ATOM 687 CG LYS A 48 -4.520 -2.624 -14.494 1.00 0.00 C ATOM 688 CD LYS A 48 -5.094 -4.021 -14.659 1.00 0.00 C ATOM 689 CE LYS A 48 -4.336 -4.814 -15.713 1.00 0.00 C ATOM 690 NZ LYS A 48 -2.953 -5.144 -15.271 1.00 0.00 N ATOM 0 H LYS A 48 -2.222 -0.996 -12.074 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.496 -0.009 -13.617 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.390 -2.783 -12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.853 -2.006 -12.939 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.963 -1.958 -15.235 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.447 -2.645 -14.685 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.052 -4.548 -13.706 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.145 -3.953 -14.939 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.876 -5.735 -15.933 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.294 -4.240 -16.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.553 -5.873 -15.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.362 -4.289 -15.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.976 -5.501 -14.294 1.00 0.00 H new ATOM 704 N PRO A 49 -5.641 0.622 -11.465 1.00 0.00 N ATOM 705 CA PRO A 49 -6.169 1.206 -10.228 1.00 0.00 C ATOM 706 C PRO A 49 -6.807 0.160 -9.320 1.00 0.00 C ATOM 707 O PRO A 49 -7.952 -0.241 -9.527 1.00 0.00 O ATOM 708 CB PRO A 49 -7.224 2.197 -10.725 1.00 0.00 C ATOM 709 CG PRO A 49 -7.645 1.668 -12.052 1.00 0.00 C ATOM 710 CD PRO A 49 -6.426 1.019 -12.646 1.00 0.00 C ATOM 0 HA PRO A 49 -5.384 1.664 -9.626 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.067 2.256 -10.037 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.813 3.203 -10.812 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.457 0.949 -11.945 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.012 2.470 -12.693 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.689 0.159 -13.262 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.873 1.710 -13.283 1.00 0.00 H new ATOM 718 N VAL A 50 -6.059 -0.278 -8.312 1.00 0.00 N ATOM 719 CA VAL A 50 -6.552 -1.276 -7.371 1.00 0.00 C ATOM 720 C VAL A 50 -7.672 -0.710 -6.506 1.00 0.00 C ATOM 721 O VAL A 50 -7.555 0.389 -5.963 1.00 0.00 O ATOM 722 CB VAL A 50 -5.424 -1.794 -6.459 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.712 -0.634 -5.780 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.977 -2.767 -5.429 1.00 0.00 C ATOM 0 H VAL A 50 -5.109 0.043 -8.126 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.939 -2.105 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.698 -2.325 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.918 -1.019 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.282 0.022 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.425 -0.073 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.167 -3.123 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.724 -2.263 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.437 -3.614 -5.939 1.00 0.00 H new ATOM 734 N ARG A 51 -8.757 -1.467 -6.380 1.00 0.00 N ATOM 735 CA ARG A 51 -9.898 -1.040 -5.580 1.00 0.00 C ATOM 736 C ARG A 51 -10.058 -1.922 -4.346 1.00 0.00 C ATOM 737 O ARG A 51 -9.815 -3.129 -4.379 1.00 0.00 O ATOM 738 CB ARG A 51 -11.178 -1.080 -6.418 1.00 0.00 C ATOM 739 CG ARG A 51 -11.412 0.182 -7.232 1.00 0.00 C ATOM 740 CD ARG A 51 -12.886 0.368 -7.559 1.00 0.00 C ATOM 741 NE ARG A 51 -13.099 1.430 -8.539 1.00 0.00 N ATOM 742 CZ ARG A 51 -12.871 1.286 -9.840 1.00 0.00 C ATOM 743 NH1 ARG A 51 -12.426 0.131 -10.315 1.00 0.00 N ATOM 744 NH2 ARG A 51 -13.089 2.299 -10.669 1.00 0.00 N ATOM 0 H ARG A 51 -8.870 -2.379 -6.822 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.717 -0.016 -5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.134 -1.935 -7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.030 -1.239 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.049 1.047 -6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.836 0.132 -8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.293 -0.567 -7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.433 0.602 -6.646 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.441 2.331 -8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.258 -0.650 -9.681 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.252 0.024 -11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.432 3.189 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.914 2.188 -11.668 1.00 0.00 H new ATOM 758 N PRO A 52 -10.476 -1.308 -3.229 1.00 0.00 N ATOM 759 CA PRO A 52 -10.677 -2.018 -1.963 1.00 0.00 C ATOM 760 C PRO A 52 -11.876 -2.960 -2.010 1.00 0.00 C ATOM 761 O PRO A 52 -12.877 -2.672 -2.666 1.00 0.00 O ATOM 762 CB PRO A 52 -10.923 -0.890 -0.958 1.00 0.00 C ATOM 763 CG PRO A 52 -11.456 0.236 -1.776 1.00 0.00 C ATOM 764 CD PRO A 52 -10.785 0.128 -3.117 1.00 0.00 C ATOM 0 HA PRO A 52 -9.827 -2.652 -1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.634 -1.193 -0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.003 -0.607 -0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.539 0.168 -1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.239 1.196 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.440 0.462 -3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.883 0.738 -3.165 1.00 0.00 H new ATOM 772 N ASP A 53 -11.766 -4.085 -1.312 1.00 0.00 N ATOM 773 CA ASP A 53 -12.842 -5.068 -1.274 1.00 0.00 C ATOM 774 C ASP A 53 -12.841 -5.824 0.052 1.00 0.00 C ATOM 775 O ASP A 53 -11.948 -5.643 0.879 1.00 0.00 O ATOM 776 CB ASP A 53 -12.704 -6.053 -2.436 1.00 0.00 C ATOM 777 CG ASP A 53 -11.305 -6.626 -2.546 1.00 0.00 C ATOM 778 OD1 ASP A 53 -10.462 -6.009 -3.231 1.00 0.00 O ATOM 779 OD2 ASP A 53 -11.052 -7.691 -1.946 1.00 0.00 O ATOM 0 H ASP A 53 -10.943 -4.339 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.789 -4.537 -1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.417 -6.867 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.962 -5.550 -3.368 1.00 0.00 H new ATOM 784 N SER A 54 -13.848 -6.669 0.246 1.00 0.00 N ATOM 785 CA SER A 54 -13.966 -7.449 1.473 1.00 0.00 C ATOM 786 C SER A 54 -12.590 -7.850 1.996 1.00 0.00 C ATOM 787 O SER A 54 -12.346 -7.843 3.202 1.00 0.00 O ATOM 788 CB SER A 54 -14.815 -8.697 1.229 1.00 0.00 C ATOM 789 OG SER A 54 -16.193 -8.372 1.163 1.00 0.00 O ATOM 0 H SER A 54 -14.594 -6.831 -0.430 1.00 0.00 H new ATOM 0 HA SER A 54 -14.454 -6.828 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.506 -9.175 0.299 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.646 -9.418 2.029 1.00 0.00 H new ATOM 0 HG SER A 54 -16.714 -9.187 1.005 1.00 0.00 H new ATOM 795 N ALA A 55 -11.694 -8.199 1.078 1.00 0.00 N ATOM 796 CA ALA A 55 -10.342 -8.601 1.445 1.00 0.00 C ATOM 797 C ALA A 55 -9.410 -7.396 1.512 1.00 0.00 C ATOM 798 O ALA A 55 -8.713 -7.192 2.507 1.00 0.00 O ATOM 799 CB ALA A 55 -9.810 -9.628 0.456 1.00 0.00 C ATOM 0 H ALA A 55 -11.880 -8.211 0.075 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.380 -9.053 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.799 -9.919 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.456 -10.506 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.793 -9.195 -0.544 1.00 0.00 H new ATOM 805 N HIS A 56 -9.401 -6.601 0.447 1.00 0.00 N ATOM 806 CA HIS A 56 -8.553 -5.415 0.386 1.00 0.00 C ATOM 807 C HIS A 56 -9.182 -4.257 1.154 1.00 0.00 C ATOM 808 O HIS A 56 -10.211 -3.715 0.750 1.00 0.00 O ATOM 809 CB HIS A 56 -8.315 -5.008 -1.068 1.00 0.00 C ATOM 810 CG HIS A 56 -7.608 -6.053 -1.875 1.00 0.00 C ATOM 811 ND1 HIS A 56 -8.094 -7.332 -2.041 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.445 -6.002 -2.566 1.00 0.00 C ATOM 813 CE1 HIS A 56 -7.260 -8.024 -2.797 1.00 0.00 C ATOM 814 NE2 HIS A 56 -6.251 -7.239 -3.129 1.00 0.00 N ATOM 0 H HIS A 56 -9.971 -6.756 -0.385 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.597 -5.658 0.849 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.274 -4.787 -1.536 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.730 -4.088 -1.088 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.791 -5.147 -2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.382 -9.055 -3.093 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.457 -7.508 -3.709 1.00 0.00 H new ATOM 822 N LYS A 57 -8.558 -3.883 2.266 1.00 0.00 N ATOM 823 CA LYS A 57 -9.055 -2.789 3.092 1.00 0.00 C ATOM 824 C LYS A 57 -8.035 -1.658 3.168 1.00 0.00 C ATOM 825 O LYS A 57 -6.949 -1.825 3.722 1.00 0.00 O ATOM 826 CB LYS A 57 -9.380 -3.293 4.500 1.00 0.00 C ATOM 827 CG LYS A 57 -10.316 -2.379 5.272 1.00 0.00 C ATOM 828 CD LYS A 57 -10.935 -3.092 6.463 1.00 0.00 C ATOM 829 CE LYS A 57 -9.892 -3.420 7.520 1.00 0.00 C ATOM 830 NZ LYS A 57 -9.595 -2.248 8.389 1.00 0.00 N ATOM 0 H LYS A 57 -7.706 -4.322 2.616 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.965 -2.403 2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.830 -4.283 4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.452 -3.405 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.768 -1.502 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.105 -2.022 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.712 -2.465 6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.417 -4.011 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.246 -4.247 8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.975 -3.753 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.633 -2.337 8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.664 -1.374 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.280 -2.213 9.171 1.00 0.00 H new ATOM 844 N MET A 58 -8.393 -0.506 2.611 1.00 0.00 N ATOM 845 CA MET A 58 -7.509 0.654 2.619 1.00 0.00 C ATOM 846 C MET A 58 -7.820 1.567 3.801 1.00 0.00 C ATOM 847 O MET A 58 -8.961 1.991 3.987 1.00 0.00 O ATOM 848 CB MET A 58 -7.642 1.433 1.309 1.00 0.00 C ATOM 849 CG MET A 58 -6.857 0.826 0.158 1.00 0.00 C ATOM 850 SD MET A 58 -7.310 -0.890 -0.163 1.00 0.00 S ATOM 851 CE MET A 58 -7.386 -0.891 -1.953 1.00 0.00 C ATOM 0 H MET A 58 -9.289 -0.351 2.148 1.00 0.00 H new ATOM 0 HA MET A 58 -6.484 0.297 2.718 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.695 1.485 1.032 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.304 2.457 1.469 1.00 0.00 H new ATOM 0 HG2 MET A 58 -7.025 1.417 -0.743 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.791 0.881 0.381 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.825 -1.827 -2.298 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.000 -0.056 -2.292 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.380 -0.790 -2.360 1.00 0.00 H new ATOM 861 N LEU A 59 -6.799 1.865 4.597 1.00 0.00 N ATOM 862 CA LEU A 59 -6.964 2.727 5.762 1.00 0.00 C ATOM 863 C LEU A 59 -6.394 4.117 5.495 1.00 0.00 C ATOM 864 O LEU A 59 -5.414 4.268 4.765 1.00 0.00 O ATOM 865 CB LEU A 59 -6.279 2.108 6.981 1.00 0.00 C ATOM 866 CG LEU A 59 -7.067 1.021 7.714 1.00 0.00 C ATOM 867 CD1 LEU A 59 -7.039 -0.280 6.928 1.00 0.00 C ATOM 868 CD2 LEU A 59 -6.511 0.812 9.115 1.00 0.00 C ATOM 0 H LEU A 59 -5.848 1.523 4.457 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.031 2.824 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.326 1.685 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.053 2.905 7.689 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.104 1.347 7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.605 -1.042 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.485 -0.122 5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.007 -0.611 6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.084 0.035 9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.466 0.508 9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.584 1.742 9.678 1.00 0.00 H new ATOM 880 N VAL A 60 -7.012 5.130 6.094 1.00 0.00 N ATOM 881 CA VAL A 60 -6.565 6.507 5.925 1.00 0.00 C ATOM 882 C VAL A 60 -6.378 7.194 7.273 1.00 0.00 C ATOM 883 O VAL A 60 -7.343 7.641 7.892 1.00 0.00 O ATOM 884 CB VAL A 60 -7.562 7.321 5.080 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.071 8.750 4.903 1.00 0.00 C ATOM 886 CG2 VAL A 60 -7.786 6.655 3.731 1.00 0.00 C ATOM 0 H VAL A 60 -7.824 5.022 6.701 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.608 6.467 5.405 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.516 7.353 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.789 9.310 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.967 9.223 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.104 8.743 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.493 7.244 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.839 6.590 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.187 5.653 3.882 1.00 0.00 H new ATOM 896 N ARG A 61 -5.129 7.275 7.721 1.00 0.00 N ATOM 897 CA ARG A 61 -4.815 7.908 8.997 1.00 0.00 C ATOM 898 C ARG A 61 -4.491 9.386 8.805 1.00 0.00 C ATOM 899 O ARG A 61 -4.375 9.864 7.677 1.00 0.00 O ATOM 900 CB ARG A 61 -3.636 7.198 9.665 1.00 0.00 C ATOM 901 CG ARG A 61 -4.047 6.020 10.533 1.00 0.00 C ATOM 902 CD ARG A 61 -2.965 4.952 10.572 1.00 0.00 C ATOM 903 NE ARG A 61 -3.162 4.013 11.672 1.00 0.00 N ATOM 904 CZ ARG A 61 -3.028 4.342 12.952 1.00 0.00 C ATOM 905 NH1 ARG A 61 -2.699 5.581 13.291 1.00 0.00 N ATOM 906 NH2 ARG A 61 -3.224 3.431 13.897 1.00 0.00 N ATOM 0 H ARG A 61 -4.319 6.911 7.220 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.691 7.827 9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.949 6.848 8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.090 7.916 10.277 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.254 6.367 11.545 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.972 5.589 10.149 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.959 4.408 9.628 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.989 5.428 10.672 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.416 3.052 11.445 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.548 6.285 12.568 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.597 5.831 14.275 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.478 2.477 13.641 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.121 3.685 14.879 1.00 0.00 H new ATOM 920 N GLU A 62 -4.346 10.104 9.915 1.00 0.00 N ATOM 921 CA GLU A 62 -4.037 11.528 9.868 1.00 0.00 C ATOM 922 C GLU A 62 -2.548 11.753 9.620 1.00 0.00 C ATOM 923 O GLU A 62 -1.777 10.802 9.502 1.00 0.00 O ATOM 924 CB GLU A 62 -4.455 12.207 11.174 1.00 0.00 C ATOM 925 CG GLU A 62 -5.947 12.127 11.450 1.00 0.00 C ATOM 926 CD GLU A 62 -6.386 13.062 12.560 1.00 0.00 C ATOM 927 OE1 GLU A 62 -6.279 12.671 13.741 1.00 0.00 O ATOM 928 OE2 GLU A 62 -6.836 14.184 12.248 1.00 0.00 O ATOM 0 H GLU A 62 -4.438 9.723 10.857 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.597 11.968 9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.916 11.747 12.002 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.156 13.255 11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.495 12.368 10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.209 11.103 11.718 1.00 0.00 H new ATOM 935 N ASN A 63 -2.152 13.020 9.540 1.00 0.00 N ATOM 936 CA ASN A 63 -0.757 13.371 9.304 1.00 0.00 C ATOM 937 C ASN A 63 -0.259 12.772 7.992 1.00 0.00 C ATOM 938 O ASN A 63 0.929 12.494 7.835 1.00 0.00 O ATOM 939 CB ASN A 63 0.116 12.884 10.463 1.00 0.00 C ATOM 940 CG ASN A 63 -0.205 13.591 11.765 1.00 0.00 C ATOM 941 OD1 ASN A 63 -1.300 14.127 11.940 1.00 0.00 O ATOM 942 ND2 ASN A 63 0.751 13.596 12.687 1.00 0.00 N ATOM 0 H ASN A 63 -2.778 13.820 9.635 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.688 14.457 9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.022 11.810 10.592 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.166 13.043 10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.593 14.057 13.583 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.643 13.139 12.499 1.00 0.00 H new ATOM 949 N GLY A 64 -1.178 12.577 7.051 1.00 0.00 N ATOM 950 CA GLY A 64 -0.814 12.014 5.764 1.00 0.00 C ATOM 951 C GLY A 64 -0.316 10.586 5.876 1.00 0.00 C ATOM 952 O GLY A 64 0.631 10.196 5.193 1.00 0.00 O ATOM 0 H GLY A 64 -2.168 12.799 7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.678 12.043 5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.040 12.631 5.307 1.00 0.00 H new ATOM 956 N VAL A 65 -0.955 9.805 6.741 1.00 0.00 N ATOM 957 CA VAL A 65 -0.571 8.413 6.941 1.00 0.00 C ATOM 958 C VAL A 65 -1.605 7.466 6.342 1.00 0.00 C ATOM 959 O VAL A 65 -2.789 7.532 6.674 1.00 0.00 O ATOM 960 CB VAL A 65 -0.398 8.087 8.437 1.00 0.00 C ATOM 961 CG1 VAL A 65 -0.247 6.588 8.643 1.00 0.00 C ATOM 962 CG2 VAL A 65 0.795 8.836 9.010 1.00 0.00 C ATOM 0 H VAL A 65 -1.741 10.113 7.314 1.00 0.00 H new ATOM 0 HA VAL A 65 0.383 8.272 6.434 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.292 8.413 8.968 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.126 6.377 9.706 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.136 6.078 8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.629 6.233 8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.903 8.594 10.067 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.699 8.542 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.639 9.909 8.897 1.00 0.00 H new ATOM 972 N HIS A 66 -1.150 6.584 5.458 1.00 0.00 N ATOM 973 CA HIS A 66 -2.036 5.621 4.813 1.00 0.00 C ATOM 974 C HIS A 66 -1.531 4.196 5.018 1.00 0.00 C ATOM 975 O HIS A 66 -0.401 3.985 5.457 1.00 0.00 O ATOM 976 CB HIS A 66 -2.151 5.924 3.318 1.00 0.00 C ATOM 977 CG HIS A 66 -3.101 7.038 3.004 1.00 0.00 C ATOM 978 ND1 HIS A 66 -4.246 6.862 2.256 1.00 0.00 N ATOM 979 CD2 HIS A 66 -3.073 8.348 3.343 1.00 0.00 C ATOM 980 CE1 HIS A 66 -4.880 8.016 2.146 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.189 8.934 2.798 1.00 0.00 N ATOM 0 H HIS A 66 -0.173 6.516 5.172 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.021 5.708 5.271 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.165 6.179 2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.475 5.023 2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.314 8.841 3.933 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.805 8.181 1.614 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.443 9.918 2.883 1.00 0.00 H new ATOM 989 N SER A 67 -2.377 3.222 4.697 1.00 0.00 N ATOM 990 CA SER A 67 -2.019 1.817 4.850 1.00 0.00 C ATOM 991 C SER A 67 -2.888 0.935 3.960 1.00 0.00 C ATOM 992 O SER A 67 -4.061 1.230 3.728 1.00 0.00 O ATOM 993 CB SER A 67 -2.166 1.388 6.312 1.00 0.00 C ATOM 994 OG SER A 67 -1.306 2.138 7.152 1.00 0.00 O ATOM 0 H SER A 67 -3.315 3.380 4.329 1.00 0.00 H new ATOM 0 HA SER A 67 -0.979 1.697 4.546 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.199 1.522 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.938 0.326 6.408 1.00 0.00 H new ATOM 0 HG SER A 67 -0.630 2.592 6.606 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.304 -0.150 3.462 1.00 0.00 N ATOM 1001 CA LEU A 68 -3.023 -1.078 2.596 1.00 0.00 C ATOM 1002 C LEU A 68 -3.023 -2.484 3.186 1.00 0.00 C ATOM 1003 O LEU A 68 -2.034 -3.210 3.085 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.394 -1.097 1.202 1.00 0.00 C ATOM 1005 CG LEU A 68 -2.968 -2.119 0.221 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.408 -1.775 -0.127 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.115 -2.188 -1.037 1.00 0.00 C ATOM 0 H LEU A 68 -1.334 -0.409 3.643 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.055 -0.737 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.499 -0.104 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.326 -1.287 1.310 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.956 -3.099 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.800 -2.514 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.012 -1.778 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.446 -0.786 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.539 -2.921 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.095 -1.210 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.100 -2.483 -0.772 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.139 -2.863 3.800 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.269 -4.184 4.402 1.00 0.00 C ATOM 1021 C ILE A 69 -4.986 -5.148 3.463 1.00 0.00 C ATOM 1022 O ILE A 69 -6.036 -4.824 2.908 1.00 0.00 O ATOM 1023 CB ILE A 69 -5.034 -4.121 5.737 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.398 -3.084 6.666 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.057 -5.490 6.400 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -5.159 -2.883 7.958 1.00 0.00 C ATOM 0 H ILE A 69 -4.966 -2.274 3.894 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.258 -4.547 4.588 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.062 -3.819 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.379 -3.393 6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.331 -2.131 6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.601 -5.429 7.342 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.551 -6.205 5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.036 -5.819 6.592 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.651 -2.135 8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.171 -2.544 7.735 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.204 -3.825 8.504 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.413 -6.335 3.293 1.00 0.00 N ATOM 1039 CA ILE A 70 -4.999 -7.348 2.424 1.00 0.00 C ATOM 1040 C ILE A 70 -5.115 -8.688 3.142 1.00 0.00 C ATOM 1041 O ILE A 70 -4.115 -9.257 3.579 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.170 -7.536 1.140 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -3.775 -6.177 0.558 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.952 -8.348 0.118 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.662 -6.258 -0.463 1.00 0.00 C ATOM 0 H ILE A 70 -3.544 -6.619 3.745 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.995 -6.995 2.155 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.260 -8.082 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.650 -5.721 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.465 -5.519 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.353 -8.472 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.188 -9.327 0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.877 -7.827 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.434 -5.258 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.773 -6.685 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.976 -6.890 -1.294 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.342 -9.186 3.258 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.587 -10.461 3.923 1.00 0.00 C ATOM 1059 C GLU A 71 -7.992 -10.973 3.616 1.00 0.00 C ATOM 1060 O GLU A 71 -8.993 -10.305 3.874 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.404 -10.317 5.435 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.163 -11.637 6.148 1.00 0.00 C ATOM 1063 CD GLU A 71 -6.397 -11.544 7.643 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -6.627 -10.421 8.139 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -6.349 -12.594 8.317 1.00 0.00 O ATOM 0 H GLU A 71 -7.180 -8.727 2.901 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.864 -11.184 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.564 -9.650 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.291 -9.843 5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.821 -12.398 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.139 -11.963 5.964 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.069 -12.186 3.051 1.00 0.00 N ATOM 1073 CA PRO A 72 -6.883 -12.990 2.738 1.00 0.00 C ATOM 1074 C PRO A 72 -6.069 -12.401 1.592 1.00 0.00 C ATOM 1075 O PRO A 72 -6.366 -11.311 1.102 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.470 -14.345 2.335 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.845 -14.034 1.851 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.318 -12.867 2.672 1.00 0.00 C ATOM 0 HA PRO A 72 -6.192 -13.042 3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.874 -14.819 1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.494 -15.033 3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.839 -13.787 0.789 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.506 -14.892 1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.974 -12.212 2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.879 -13.193 3.548 1.00 0.00 H new ATOM 1086 N VAL A 73 -5.039 -13.127 1.169 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.181 -12.676 0.079 1.00 0.00 C ATOM 1088 C VAL A 73 -4.167 -13.686 -1.062 1.00 0.00 C ATOM 1089 O VAL A 73 -4.214 -14.896 -0.838 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.737 -12.442 0.561 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.782 -12.386 -0.621 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.652 -11.167 1.387 1.00 0.00 C ATOM 0 H VAL A 73 -4.778 -14.030 1.565 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.593 -11.733 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.443 -13.279 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.767 -12.220 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.824 -13.328 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.070 -11.570 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.625 -11.017 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.964 -10.318 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.306 -11.252 2.255 1.00 0.00 H new ATOM 1102 N THR A 74 -4.102 -13.181 -2.291 1.00 0.00 N ATOM 1103 CA THR A 74 -4.082 -14.038 -3.469 1.00 0.00 C ATOM 1104 C THR A 74 -2.797 -13.846 -4.268 1.00 0.00 C ATOM 1105 O THR A 74 -2.150 -12.802 -4.178 1.00 0.00 O ATOM 1106 CB THR A 74 -5.289 -13.762 -4.385 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.225 -12.423 -4.889 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.596 -13.966 -3.634 1.00 0.00 C ATOM 0 H THR A 74 -4.062 -12.182 -2.495 1.00 0.00 H new ATOM 0 HA THR A 74 -4.134 -15.067 -3.112 1.00 0.00 H new ATOM 0 HB THR A 74 -5.254 -14.465 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.017 -11.807 -4.156 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.434 -13.765 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.654 -14.994 -3.278 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.638 -13.285 -2.784 1.00 0.00 H new ATOM 1116 N SER A 75 -2.434 -14.858 -5.049 1.00 0.00 N ATOM 1117 CA SER A 75 -1.225 -14.800 -5.862 1.00 0.00 C ATOM 1118 C SER A 75 -1.231 -13.565 -6.758 1.00 0.00 C ATOM 1119 O SER A 75 -0.181 -13.112 -7.215 1.00 0.00 O ATOM 1120 CB SER A 75 -1.098 -16.063 -6.716 1.00 0.00 C ATOM 1121 OG SER A 75 -0.691 -17.171 -5.931 1.00 0.00 O ATOM 0 H SER A 75 -2.960 -15.728 -5.136 1.00 0.00 H new ATOM 0 HA SER A 75 -0.369 -14.736 -5.191 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.054 -16.282 -7.191 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.376 -15.894 -7.515 1.00 0.00 H new ATOM 0 HG SER A 75 -0.619 -17.966 -6.500 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.420 -13.026 -7.004 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.564 -11.845 -7.846 1.00 0.00 C ATOM 1129 C ARG A 76 -1.978 -10.614 -7.160 1.00 0.00 C ATOM 1130 O ARG A 76 -1.299 -9.804 -7.791 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.038 -11.604 -8.177 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.276 -10.377 -9.041 1.00 0.00 C ATOM 1133 CD ARG A 76 -4.107 -10.693 -10.518 1.00 0.00 C ATOM 1134 NE ARG A 76 -2.707 -10.911 -10.875 1.00 0.00 N ATOM 1135 CZ ARG A 76 -2.309 -11.309 -12.078 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -3.199 -11.530 -13.035 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -1.017 -11.484 -12.326 1.00 0.00 N ATOM 0 H ARG A 76 -3.298 -13.388 -6.632 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.015 -12.021 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.435 -12.481 -8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.597 -11.497 -7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.281 -9.995 -8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.580 -9.589 -8.755 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.687 -11.581 -10.767 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.509 -9.873 -11.112 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.997 -10.749 -10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.193 -11.394 -12.849 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.890 -11.836 -13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.329 -11.313 -11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.712 -11.790 -13.250 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.248 -10.480 -5.866 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.747 -9.349 -5.094 1.00 0.00 C ATOM 1153 C ASP A 77 -0.234 -9.218 -5.239 1.00 0.00 C ATOM 1154 O ASP A 77 0.339 -8.168 -4.950 1.00 0.00 O ATOM 1155 CB ASP A 77 -2.119 -9.506 -3.619 1.00 0.00 C ATOM 1156 CG ASP A 77 -3.619 -9.533 -3.400 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -4.317 -8.661 -3.959 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -4.096 -10.426 -2.669 1.00 0.00 O ATOM 0 H ASP A 77 -2.811 -11.140 -5.330 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.210 -8.442 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.682 -10.427 -3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.686 -8.684 -3.049 1.00 0.00 H new ATOM 1163 N ALA A 78 0.407 -10.293 -5.687 1.00 0.00 N ATOM 1164 CA ALA A 78 1.853 -10.298 -5.871 1.00 0.00 C ATOM 1165 C ALA A 78 2.248 -9.539 -7.133 1.00 0.00 C ATOM 1166 O ALA A 78 1.930 -9.956 -8.246 1.00 0.00 O ATOM 1167 CB ALA A 78 2.372 -11.727 -5.928 1.00 0.00 C ATOM 0 H ALA A 78 -0.052 -11.171 -5.929 1.00 0.00 H new ATOM 0 HA ALA A 78 2.305 -9.792 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.453 -11.716 -6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.130 -12.239 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.905 -12.251 -6.762 1.00 0.00 H new ATOM 1173 N GLY A 79 2.944 -8.420 -6.952 1.00 0.00 N ATOM 1174 CA GLY A 79 3.371 -7.620 -8.085 1.00 0.00 C ATOM 1175 C GLY A 79 4.117 -6.370 -7.664 1.00 0.00 C ATOM 1176 O GLY A 79 4.758 -6.346 -6.613 1.00 0.00 O ATOM 0 H GLY A 79 3.220 -8.054 -6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.012 -8.222 -8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.499 -7.338 -8.675 1.00 0.00 H new ATOM 1180 N ILE A 80 4.034 -5.329 -8.485 1.00 0.00 N ATOM 1181 CA ILE A 80 4.708 -4.070 -8.192 1.00 0.00 C ATOM 1182 C ILE A 80 3.700 -2.948 -7.961 1.00 0.00 C ATOM 1183 O ILE A 80 2.959 -2.569 -8.868 1.00 0.00 O ATOM 1184 CB ILE A 80 5.660 -3.662 -9.331 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.706 -4.753 -9.566 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.333 -2.336 -9.010 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.621 -4.978 -8.383 1.00 0.00 C ATOM 0 H ILE A 80 3.507 -5.332 -9.358 1.00 0.00 H new ATOM 0 HA ILE A 80 5.289 -4.227 -7.283 1.00 0.00 H new ATOM 0 HB ILE A 80 5.078 -3.540 -10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.197 -5.687 -9.804 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.308 -4.487 -10.435 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.003 -2.061 -9.825 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.574 -1.563 -8.888 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.905 -2.432 -8.087 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.337 -5.765 -8.621 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.157 -4.056 -8.157 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.030 -5.275 -7.517 1.00 0.00 H new ATOM 1199 N TYR A 81 3.680 -2.421 -6.741 1.00 0.00 N ATOM 1200 CA TYR A 81 2.763 -1.343 -6.390 1.00 0.00 C ATOM 1201 C TYR A 81 3.405 0.019 -6.633 1.00 0.00 C ATOM 1202 O TYR A 81 4.385 0.383 -5.982 1.00 0.00 O ATOM 1203 CB TYR A 81 2.337 -1.465 -4.926 1.00 0.00 C ATOM 1204 CG TYR A 81 1.420 -2.637 -4.657 1.00 0.00 C ATOM 1205 CD1 TYR A 81 0.052 -2.539 -4.879 1.00 0.00 C ATOM 1206 CD2 TYR A 81 1.922 -3.842 -4.182 1.00 0.00 C ATOM 1207 CE1 TYR A 81 -0.790 -3.607 -4.634 1.00 0.00 C ATOM 1208 CE2 TYR A 81 1.088 -4.915 -3.936 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.267 -4.793 -4.163 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.101 -5.860 -3.918 1.00 0.00 O ATOM 0 H TYR A 81 4.288 -2.723 -5.980 1.00 0.00 H new ATOM 0 HA TYR A 81 1.882 -1.427 -7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.227 -1.561 -4.304 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.835 -0.545 -4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.360 -1.612 -5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.982 -3.941 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.851 -3.513 -4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.495 -5.845 -3.568 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.682 -6.684 -4.242 1.00 0.00 H new ATOM 1220 N THR A 82 2.845 0.770 -7.576 1.00 0.00 N ATOM 1221 CA THR A 82 3.361 2.092 -7.907 1.00 0.00 C ATOM 1222 C THR A 82 2.367 3.183 -7.526 1.00 0.00 C ATOM 1223 O THR A 82 1.447 3.491 -8.285 1.00 0.00 O ATOM 1224 CB THR A 82 3.683 2.210 -9.409 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.553 1.145 -9.809 1.00 0.00 O ATOM 1226 CG2 THR A 82 4.336 3.548 -9.720 1.00 0.00 C ATOM 0 H THR A 82 2.034 0.485 -8.124 1.00 0.00 H new ATOM 0 HA THR A 82 4.279 2.224 -7.334 1.00 0.00 H new ATOM 0 HB THR A 82 2.747 2.143 -9.964 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.470 1.349 -9.529 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.554 3.607 -10.786 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.660 4.356 -9.442 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.263 3.640 -9.155 1.00 0.00 H new ATOM 1234 N CYS A 83 2.557 3.763 -6.346 1.00 0.00 N ATOM 1235 CA CYS A 83 1.675 4.820 -5.864 1.00 0.00 C ATOM 1236 C CYS A 83 2.174 6.191 -6.310 1.00 0.00 C ATOM 1237 O CYS A 83 3.369 6.383 -6.536 1.00 0.00 O ATOM 1238 CB CYS A 83 1.575 4.773 -4.338 1.00 0.00 C ATOM 1239 SG CYS A 83 0.004 5.382 -3.682 1.00 0.00 S ATOM 0 H CYS A 83 3.313 3.519 -5.706 1.00 0.00 H new ATOM 0 HA CYS A 83 0.686 4.656 -6.292 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.721 3.745 -4.007 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.387 5.363 -3.913 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.778 5.714 -4.666 1.00 0.00 H new ATOM 1245 N ILE A 84 1.252 7.139 -6.436 1.00 0.00 N ATOM 1246 CA ILE A 84 1.599 8.491 -6.856 1.00 0.00 C ATOM 1247 C ILE A 84 0.858 9.532 -6.024 1.00 0.00 C ATOM 1248 O ILE A 84 -0.339 9.753 -6.209 1.00 0.00 O ATOM 1249 CB ILE A 84 1.278 8.717 -8.345 1.00 0.00 C ATOM 1250 CG1 ILE A 84 2.070 7.738 -9.214 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.587 10.154 -8.740 1.00 0.00 C ATOM 1252 CD1 ILE A 84 1.358 7.353 -10.492 1.00 0.00 C ATOM 0 H ILE A 84 0.259 6.996 -6.253 1.00 0.00 H new ATOM 0 HA ILE A 84 2.672 8.604 -6.703 1.00 0.00 H new ATOM 0 HB ILE A 84 0.215 8.537 -8.505 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.033 8.183 -9.464 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.276 6.837 -8.637 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.355 10.299 -9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.984 10.834 -8.139 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.644 10.359 -8.569 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.977 6.657 -11.058 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.407 6.878 -10.250 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.176 8.246 -11.090 1.00 0.00 H new ATOM 1264 N ALA A 85 1.578 10.170 -5.107 1.00 0.00 N ATOM 1265 CA ALA A 85 0.990 11.191 -4.249 1.00 0.00 C ATOM 1266 C ALA A 85 1.152 12.580 -4.857 1.00 0.00 C ATOM 1267 O ALA A 85 2.242 13.153 -4.842 1.00 0.00 O ATOM 1268 CB ALA A 85 1.619 11.143 -2.864 1.00 0.00 C ATOM 0 H ALA A 85 2.569 9.998 -4.939 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.076 10.984 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.170 11.911 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.446 10.163 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.691 11.321 -2.945 1.00 0.00 H new ATOM 1274 N THR A 86 0.061 13.116 -5.395 1.00 0.00 N ATOM 1275 CA THR A 86 0.082 14.437 -6.011 1.00 0.00 C ATOM 1276 C THR A 86 -0.621 15.465 -5.132 1.00 0.00 C ATOM 1277 O THR A 86 -1.823 15.369 -4.889 1.00 0.00 O ATOM 1278 CB THR A 86 -0.587 14.421 -7.398 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.106 13.308 -8.161 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.308 15.715 -8.148 1.00 0.00 C ATOM 0 H THR A 86 -0.849 12.655 -5.417 1.00 0.00 H new ATOM 0 HA THR A 86 1.130 14.716 -6.124 1.00 0.00 H new ATOM 0 HB THR A 86 -1.664 14.326 -7.257 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.537 13.304 -9.041 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.790 15.681 -9.125 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.701 16.557 -7.579 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.767 15.835 -8.279 1.00 0.00 H new ATOM 1288 N ASN A 87 0.136 16.450 -4.659 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.416 17.496 -3.807 1.00 0.00 C ATOM 1290 C ASN A 87 -0.431 18.838 -4.534 1.00 0.00 C ATOM 1291 O ASN A 87 -0.062 18.925 -5.705 1.00 0.00 O ATOM 1292 CB ASN A 87 0.396 17.613 -2.515 1.00 0.00 C ATOM 1293 CG ASN A 87 -0.393 18.257 -1.392 1.00 0.00 C ATOM 1294 OD1 ASN A 87 -1.624 18.264 -1.408 1.00 0.00 O ATOM 1295 ND2 ASN A 87 0.314 18.803 -0.410 1.00 0.00 N ATOM 0 H ASN A 87 1.133 16.545 -4.852 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.442 17.224 -3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.722 16.621 -2.203 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.295 18.199 -2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.162 19.252 0.373 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.333 18.774 -0.438 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.860 19.881 -3.830 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.924 21.218 -4.408 1.00 0.00 C ATOM 1304 C ARG A 88 0.469 21.715 -4.783 1.00 0.00 C ATOM 1305 O ARG A 88 0.632 22.472 -5.740 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.577 22.191 -3.425 1.00 0.00 C ATOM 1307 CG ARG A 88 -3.018 21.842 -3.089 1.00 0.00 C ATOM 1308 CD ARG A 88 -3.986 22.441 -4.096 1.00 0.00 C ATOM 1309 NE ARG A 88 -3.929 23.901 -4.109 1.00 0.00 N ATOM 1310 CZ ARG A 88 -4.554 24.653 -5.008 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -5.280 24.086 -5.961 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -4.454 25.975 -4.953 1.00 0.00 N ATOM 0 H ARG A 88 -1.168 19.826 -2.859 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.529 21.167 -5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.993 22.211 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.544 23.196 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.136 20.759 -3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.258 22.207 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.755 22.060 -5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.000 22.120 -3.859 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.379 24.368 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.360 23.070 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.759 24.666 -6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.897 26.414 -4.220 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.934 26.552 -5.644 1.00 0.00 H new ATOM 1326 N ALA A 89 1.470 21.285 -4.023 1.00 0.00 N ATOM 1327 CA ALA A 89 2.848 21.685 -4.276 1.00 0.00 C ATOM 1328 C ALA A 89 3.436 20.915 -5.454 1.00 0.00 C ATOM 1329 O ALA A 89 3.862 21.507 -6.444 1.00 0.00 O ATOM 1330 CB ALA A 89 3.696 21.475 -3.030 1.00 0.00 C ATOM 0 H ALA A 89 1.352 20.659 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 89 2.851 22.745 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.723 21.778 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.296 22.075 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.677 20.422 -2.750 1.00 0.00 H new ATOM 1336 N GLY A 90 3.456 19.590 -5.338 1.00 0.00 N ATOM 1337 CA GLY A 90 3.994 18.761 -6.401 1.00 0.00 C ATOM 1338 C GLY A 90 3.419 17.359 -6.390 1.00 0.00 C ATOM 1339 O GLY A 90 2.246 17.165 -6.072 1.00 0.00 O ATOM 0 H GLY A 90 3.110 19.077 -4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.785 19.229 -7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.078 18.707 -6.302 1.00 0.00 H new ATOM 1343 N GLN A 91 4.246 16.379 -6.740 1.00 0.00 N ATOM 1344 CA GLN A 91 3.811 14.988 -6.771 1.00 0.00 C ATOM 1345 C GLN A 91 5.009 14.043 -6.782 1.00 0.00 C ATOM 1346 O GLN A 91 6.066 14.373 -7.317 1.00 0.00 O ATOM 1347 CB GLN A 91 2.935 14.733 -7.999 1.00 0.00 C ATOM 1348 CG GLN A 91 3.606 15.099 -9.312 1.00 0.00 C ATOM 1349 CD GLN A 91 3.022 14.350 -10.494 1.00 0.00 C ATOM 1350 OE1 GLN A 91 1.995 14.745 -11.048 1.00 0.00 O ATOM 1351 NE2 GLN A 91 3.675 13.264 -10.889 1.00 0.00 N ATOM 0 H GLN A 91 5.220 16.523 -7.006 1.00 0.00 H new ATOM 0 HA GLN A 91 3.228 14.796 -5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.657 13.679 -8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.012 15.304 -7.901 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.506 16.171 -9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.673 14.886 -9.242 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.522 12.973 -10.401 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.330 12.721 -11.680 1.00 0.00 H new ATOM 1360 N ASN A 92 4.835 12.868 -6.187 1.00 0.00 N ATOM 1361 CA ASN A 92 5.902 11.875 -6.127 1.00 0.00 C ATOM 1362 C ASN A 92 5.337 10.462 -6.235 1.00 0.00 C ATOM 1363 O ASN A 92 4.136 10.248 -6.068 1.00 0.00 O ATOM 1364 CB ASN A 92 6.692 12.024 -4.826 1.00 0.00 C ATOM 1365 CG ASN A 92 8.101 11.474 -4.939 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.297 10.286 -5.198 1.00 0.00 O ATOM 1367 ND2 ASN A 92 9.090 12.338 -4.746 1.00 0.00 N ATOM 0 H ASN A 92 3.965 12.580 -5.739 1.00 0.00 H new ATOM 0 HA ASN A 92 6.571 12.044 -6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.737 13.078 -4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.166 11.507 -4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 92 10.059 12.026 -4.810 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.881 13.313 -4.534 1.00 0.00 H new ATOM 1374 N SER A 93 6.211 9.501 -6.513 1.00 0.00 N ATOM 1375 CA SER A 93 5.800 8.108 -6.646 1.00 0.00 C ATOM 1376 C SER A 93 6.873 7.170 -6.100 1.00 0.00 C ATOM 1377 O SER A 93 8.027 7.563 -5.927 1.00 0.00 O ATOM 1378 CB SER A 93 5.514 7.776 -8.112 1.00 0.00 C ATOM 1379 OG SER A 93 5.112 6.425 -8.259 1.00 0.00 O ATOM 0 H SER A 93 7.209 9.661 -6.651 1.00 0.00 H new ATOM 0 HA SER A 93 4.889 7.967 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.733 8.435 -8.492 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.406 7.961 -8.711 1.00 0.00 H new ATOM 0 HG SER A 93 4.231 6.299 -7.848 1.00 0.00 H new ATOM 1385 N PHE A 94 6.483 5.929 -5.830 1.00 0.00 N ATOM 1386 CA PHE A 94 7.410 4.934 -5.303 1.00 0.00 C ATOM 1387 C PHE A 94 6.930 3.521 -5.620 1.00 0.00 C ATOM 1388 O PHE A 94 5.745 3.213 -5.492 1.00 0.00 O ATOM 1389 CB PHE A 94 7.567 5.104 -3.790 1.00 0.00 C ATOM 1390 CG PHE A 94 6.570 4.313 -2.992 1.00 0.00 C ATOM 1391 CD1 PHE A 94 6.744 2.953 -2.793 1.00 0.00 C ATOM 1392 CD2 PHE A 94 5.459 4.930 -2.439 1.00 0.00 C ATOM 1393 CE1 PHE A 94 5.828 2.223 -2.060 1.00 0.00 C ATOM 1394 CE2 PHE A 94 4.540 4.205 -1.704 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.725 2.850 -1.514 1.00 0.00 C ATOM 0 H PHE A 94 5.532 5.588 -5.967 1.00 0.00 H new ATOM 0 HA PHE A 94 8.377 5.086 -5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.574 4.802 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.466 6.160 -3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.606 2.458 -3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.310 5.990 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.974 1.163 -1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.678 4.698 -1.279 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.009 2.281 -0.940 1.00 0.00 H new ATOM 1405 N SER A 95 7.859 2.666 -6.036 1.00 0.00 N ATOM 1406 CA SER A 95 7.531 1.287 -6.377 1.00 0.00 C ATOM 1407 C SER A 95 8.086 0.323 -5.333 1.00 0.00 C ATOM 1408 O SER A 95 9.158 0.548 -4.771 1.00 0.00 O ATOM 1409 CB SER A 95 8.086 0.935 -7.758 1.00 0.00 C ATOM 1410 OG SER A 95 7.597 1.825 -8.747 1.00 0.00 O ATOM 0 H SER A 95 8.845 2.904 -6.145 1.00 0.00 H new ATOM 0 HA SER A 95 6.445 1.191 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.175 0.974 -7.736 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.808 -0.087 -8.015 1.00 0.00 H new ATOM 0 HG SER A 95 7.968 1.579 -9.620 1.00 0.00 H new ATOM 1416 N LEU A 96 7.347 -0.752 -5.078 1.00 0.00 N ATOM 1417 CA LEU A 96 7.764 -1.752 -4.101 1.00 0.00 C ATOM 1418 C LEU A 96 7.523 -3.162 -4.629 1.00 0.00 C ATOM 1419 O LEU A 96 6.720 -3.365 -5.539 1.00 0.00 O ATOM 1420 CB LEU A 96 7.011 -1.552 -2.784 1.00 0.00 C ATOM 1421 CG LEU A 96 5.541 -1.975 -2.781 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.407 -3.436 -2.384 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.734 -1.089 -1.843 1.00 0.00 C ATOM 0 H LEU A 96 6.457 -0.953 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 96 8.832 -1.628 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.530 -2.108 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.066 -0.497 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 96 5.146 -1.857 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.354 -3.719 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.952 -4.058 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.818 -3.581 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.691 -1.404 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.129 -1.175 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.803 -0.052 -2.172 1.00 0.00 H new ATOM 1435 N GLU A 97 8.221 -4.133 -4.049 1.00 0.00 N ATOM 1436 CA GLU A 97 8.081 -5.525 -4.461 1.00 0.00 C ATOM 1437 C GLU A 97 7.388 -6.346 -3.378 1.00 0.00 C ATOM 1438 O GLU A 97 7.702 -6.223 -2.193 1.00 0.00 O ATOM 1439 CB GLU A 97 9.452 -6.128 -4.774 1.00 0.00 C ATOM 1440 CG GLU A 97 9.389 -7.568 -5.254 1.00 0.00 C ATOM 1441 CD GLU A 97 10.737 -8.091 -5.711 1.00 0.00 C ATOM 1442 OE1 GLU A 97 11.538 -7.287 -6.234 1.00 0.00 O ATOM 1443 OE2 GLU A 97 10.991 -9.302 -5.547 1.00 0.00 O ATOM 0 H GLU A 97 8.889 -3.982 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 97 7.467 -5.550 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.941 -5.521 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.074 -6.079 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.013 -8.199 -4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.677 -7.642 -6.076 1.00 0.00 H new ATOM 1450 N LEU A 98 6.442 -7.183 -3.793 1.00 0.00 N ATOM 1451 CA LEU A 98 5.703 -8.024 -2.859 1.00 0.00 C ATOM 1452 C LEU A 98 5.627 -9.462 -3.364 1.00 0.00 C ATOM 1453 O LEU A 98 4.919 -9.756 -4.327 1.00 0.00 O ATOM 1454 CB LEU A 98 4.292 -7.470 -2.649 1.00 0.00 C ATOM 1455 CG LEU A 98 3.327 -8.368 -1.874 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.732 -8.449 -0.410 1.00 0.00 C ATOM 1457 CD2 LEU A 98 1.900 -7.856 -2.007 1.00 0.00 C ATOM 0 H LEU A 98 6.170 -7.297 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 98 6.234 -8.020 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.371 -6.518 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.856 -7.260 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 98 3.373 -9.371 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.034 -9.092 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.738 -8.862 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.715 -7.451 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.226 -8.507 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.838 -6.843 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.612 -7.851 -3.058 1.00 0.00 H new ATOM 1469 N VAL A 99 6.359 -10.354 -2.706 1.00 0.00 N ATOM 1470 CA VAL A 99 6.373 -11.762 -3.086 1.00 0.00 C ATOM 1471 C VAL A 99 5.325 -12.551 -2.309 1.00 0.00 C ATOM 1472 O VAL A 99 5.173 -12.379 -1.099 1.00 0.00 O ATOM 1473 CB VAL A 99 7.757 -12.395 -2.848 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.746 -13.865 -3.239 1.00 0.00 C ATOM 1475 CG2 VAL A 99 8.828 -11.637 -3.618 1.00 0.00 C ATOM 0 H VAL A 99 6.951 -10.127 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 99 6.141 -11.805 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 99 7.991 -12.329 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.732 -14.295 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.007 -14.396 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.491 -13.959 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.800 -12.097 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.602 -11.670 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.851 -10.600 -3.284 1.00 0.00 H new ATOM 1485 N VAL A 100 4.603 -13.418 -3.011 1.00 0.00 N ATOM 1486 CA VAL A 100 3.570 -14.236 -2.388 1.00 0.00 C ATOM 1487 C VAL A 100 3.743 -15.708 -2.745 1.00 0.00 C ATOM 1488 O VAL A 100 3.660 -16.088 -3.912 1.00 0.00 O ATOM 1489 CB VAL A 100 2.161 -13.779 -2.810 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.122 -14.817 -2.414 1.00 0.00 C ATOM 1491 CG2 VAL A 100 1.835 -12.425 -2.199 1.00 0.00 C ATOM 0 H VAL A 100 4.715 -13.572 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 100 3.677 -14.112 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 100 2.141 -13.676 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.133 -14.477 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.348 -15.764 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.140 -14.955 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.836 -12.118 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.873 -12.498 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.563 -11.688 -2.539 1.00 0.00 H new ATOM 1501 N ALA A 101 3.985 -16.532 -1.731 1.00 0.00 N ATOM 1502 CA ALA A 101 4.168 -17.964 -1.937 1.00 0.00 C ATOM 1503 C ALA A 101 2.841 -18.707 -1.832 1.00 0.00 C ATOM 1504 O ALA A 101 2.194 -18.697 -0.786 1.00 0.00 O ATOM 1505 CB ALA A 101 5.167 -18.518 -0.933 1.00 0.00 C ATOM 0 H ALA A 101 4.059 -16.233 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 101 4.560 -18.115 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.294 -19.588 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.126 -18.015 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.798 -18.349 0.079 1.00 0.00 H new ATOM 1511 N ALA A 102 2.441 -19.352 -2.924 1.00 0.00 N ATOM 1512 CA ALA A 102 1.192 -20.102 -2.953 1.00 0.00 C ATOM 1513 C ALA A 102 1.016 -20.926 -1.682 1.00 0.00 C ATOM 1514 O ALA A 102 1.991 -21.394 -1.093 1.00 0.00 O ATOM 1515 CB ALA A 102 1.146 -21.003 -4.178 1.00 0.00 C ATOM 0 H ALA A 102 2.964 -19.370 -3.799 1.00 0.00 H new ATOM 0 HA ALA A 102 0.370 -19.388 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.208 -21.557 -4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.217 -20.395 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.981 -21.703 -4.146 1.00 0.00 H new ATOM 1521 N LYS A 103 -0.233 -21.099 -1.262 1.00 0.00 N ATOM 1522 CA LYS A 103 -0.538 -21.867 -0.061 1.00 0.00 C ATOM 1523 C LYS A 103 -0.701 -23.347 -0.389 1.00 0.00 C ATOM 1524 O LYS A 103 -1.355 -23.707 -1.367 1.00 0.00 O ATOM 1525 CB LYS A 103 -1.812 -21.336 0.599 1.00 0.00 C ATOM 1526 CG LYS A 103 -2.146 -22.019 1.914 1.00 0.00 C ATOM 1527 CD LYS A 103 -3.366 -21.395 2.571 1.00 0.00 C ATOM 1528 CE LYS A 103 -4.655 -22.025 2.065 1.00 0.00 C ATOM 1529 NZ LYS A 103 -5.773 -21.854 3.034 1.00 0.00 N ATOM 0 H LYS A 103 -1.051 -20.717 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 103 0.296 -21.756 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.702 -20.266 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.648 -21.463 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.328 -23.079 1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.293 -21.949 2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.300 -21.516 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.380 -20.324 2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.929 -21.575 1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.493 -23.087 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.633 -22.297 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.522 -22.305 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.945 -20.840 3.190 1.00 0.00 H new ATOM 1543 N GLU A 104 -0.104 -24.201 0.437 1.00 0.00 N ATOM 1544 CA GLU A 104 -0.185 -25.643 0.234 1.00 0.00 C ATOM 1545 C GLU A 104 -1.628 -26.128 0.345 1.00 0.00 C ATOM 1546 O GLU A 104 -2.376 -25.690 1.219 1.00 0.00 O ATOM 1547 CB GLU A 104 0.689 -26.374 1.255 1.00 0.00 C ATOM 1548 CG GLU A 104 0.067 -26.461 2.638 1.00 0.00 C ATOM 1549 CD GLU A 104 0.814 -27.410 3.555 1.00 0.00 C ATOM 1550 OE1 GLU A 104 1.116 -28.541 3.119 1.00 0.00 O ATOM 1551 OE2 GLU A 104 1.097 -27.023 4.708 1.00 0.00 O ATOM 0 H GLU A 104 0.441 -23.919 1.252 1.00 0.00 H new ATOM 0 HA GLU A 104 0.179 -25.863 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.890 -27.382 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.650 -25.864 1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.048 -25.468 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.968 -26.790 2.547 1.00 0.00 H new ATOM 1558 N SER A 105 -2.012 -27.033 -0.549 1.00 0.00 N ATOM 1559 CA SER A 105 -3.366 -27.575 -0.556 1.00 0.00 C ATOM 1560 C SER A 105 -3.476 -28.773 0.382 1.00 0.00 C ATOM 1561 O SER A 105 -3.125 -29.895 0.018 1.00 0.00 O ATOM 1562 CB SER A 105 -3.767 -27.984 -1.974 1.00 0.00 C ATOM 1563 OG SER A 105 -4.380 -26.906 -2.661 1.00 0.00 O ATOM 0 H SER A 105 -1.405 -27.407 -1.278 1.00 0.00 H new ATOM 0 HA SER A 105 -4.044 -26.797 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.886 -28.316 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.453 -28.830 -1.932 1.00 0.00 H new ATOM 0 HG SER A 105 -4.626 -27.192 -3.566 1.00 0.00 H new ATOM 1569 N GLY A 106 -3.967 -28.527 1.593 1.00 0.00 N ATOM 1570 CA GLY A 106 -4.115 -29.594 2.565 1.00 0.00 C ATOM 1571 C GLY A 106 -5.567 -29.886 2.888 1.00 0.00 C ATOM 1572 O GLY A 106 -6.115 -29.400 3.878 1.00 0.00 O ATOM 0 H GLY A 106 -4.265 -27.607 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.642 -30.498 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -3.590 -29.323 3.481 1.00 0.00 H new ATOM 1576 N PRO A 107 -6.215 -30.697 2.039 1.00 0.00 N ATOM 1577 CA PRO A 107 -7.621 -31.071 2.218 1.00 0.00 C ATOM 1578 C PRO A 107 -7.828 -31.995 3.413 1.00 0.00 C ATOM 1579 O PRO A 107 -8.956 -32.208 3.857 1.00 0.00 O ATOM 1580 CB PRO A 107 -7.964 -31.796 0.915 1.00 0.00 C ATOM 1581 CG PRO A 107 -6.661 -32.318 0.417 1.00 0.00 C ATOM 1582 CD PRO A 107 -5.625 -31.313 0.839 1.00 0.00 C ATOM 0 HA PRO A 107 -8.251 -30.204 2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -8.674 -32.605 1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -8.421 -31.119 0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -6.447 -33.300 0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.675 -32.433 -0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -4.670 -31.789 1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -5.440 -30.575 0.058 1.00 0.00 H new ATOM 1590 N SER A 108 -6.731 -32.541 3.930 1.00 0.00 N ATOM 1591 CA SER A 108 -6.793 -33.446 5.071 1.00 0.00 C ATOM 1592 C SER A 108 -7.771 -32.929 6.122 1.00 0.00 C ATOM 1593 O SER A 108 -7.609 -31.828 6.649 1.00 0.00 O ATOM 1594 CB SER A 108 -5.404 -33.615 5.691 1.00 0.00 C ATOM 1595 OG SER A 108 -4.500 -34.191 4.764 1.00 0.00 O ATOM 0 H SER A 108 -5.789 -32.372 3.576 1.00 0.00 H new ATOM 0 HA SER A 108 -7.146 -34.414 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.027 -32.646 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.472 -34.245 6.578 1.00 0.00 H new ATOM 0 HG SER A 108 -3.619 -34.287 5.183 1.00 0.00 H new ATOM 1601 N SER A 109 -8.788 -33.731 6.421 1.00 0.00 N ATOM 1602 CA SER A 109 -9.795 -33.354 7.406 1.00 0.00 C ATOM 1603 C SER A 109 -9.140 -32.868 8.695 1.00 0.00 C ATOM 1604 O SER A 109 -8.029 -33.275 9.031 1.00 0.00 O ATOM 1605 CB SER A 109 -10.716 -34.539 7.704 1.00 0.00 C ATOM 1606 OG SER A 109 -12.002 -34.098 8.101 1.00 0.00 O ATOM 0 H SER A 109 -8.936 -34.646 5.995 1.00 0.00 H new ATOM 0 HA SER A 109 -10.386 -32.538 6.990 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.801 -35.169 6.818 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.280 -35.154 8.491 1.00 0.00 H new ATOM 0 HG SER A 109 -12.572 -34.874 8.284 1.00 0.00 H new ATOM 1612 N GLY A 110 -9.838 -31.993 9.413 1.00 0.00 N ATOM 1613 CA GLY A 110 -9.309 -31.465 10.657 1.00 0.00 C ATOM 1614 C GLY A 110 -9.583 -32.375 11.837 1.00 0.00 C ATOM 1615 O GLY A 110 -9.358 -33.583 11.763 1.00 0.00 O ATOM 0 H GLY A 110 -10.760 -31.641 9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.233 -31.318 10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.748 -30.486 10.848 1.00 0.00 H new TER 1619 GLY A 110