USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 993 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 23 THR OG1 : rot 95:sc= 1.26 USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 93 GLN : amide:sc= 0 X(o=1.3,f=1.6) USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= 0.513 USER MOD Set 2.2: A 82 TYR OH : rot 3:sc= 0.724 USER MOD Set 3.1: A 9 ASN : amide:sc= 0.39 K(o=0.7,f=-2.1) USER MOD Set 3.2: A 14 LYS NZ :NH3+ -134:sc= 0.331 (180deg=0) USER MOD Set 3.3: A 49 ASN : amide:sc= -0.0176 K(o=0.7,f=-3) USER MOD Single : A 1 LYS N :NH3+ 180:sc= -0.396 (180deg=-0.396) USER MOD Single : A 1 LYS NZ :NH3+ -171:sc=-0.00522 (180deg=-0.17) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.22! K(o=-1.2!,f=-0.026) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -116:sc= -0.0745 (180deg=-0.26) USER MOD Single : A 19 SER OG : rot 69:sc= 1.16 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.8!) USER MOD Single : A 34 SER OG : rot 74:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot -85:sc= 1.23 USER MOD Single : A 41 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 2.15 (180deg=2.1) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= -0.0109 (180deg=-0.197) USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= -0.0281 (180deg=-0.365) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 174:sc= -2.23 (180deg=-2.39!) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 1.16 (180deg=0.986) USER MOD Single : A 81 GLN : amide:sc= 0.707 K(o=0.71,f=0) USER MOD Single : A 84 THR OG1 : rot 65:sc= 1.26 USER MOD Single : A 87 MET CE :methyl -171:sc= -5.13! (180deg=-5.21!) USER MOD Single : A 92 GLN : amide:sc= -0.0552 X(o=-0.055,f=-0.055) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 175:sc= -7.95! (180deg=-8.11!) USER MOD Single : A 99 ASN : amide:sc= -2.24! C(o=-2.2!,f=-4.7!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= -0.0937 (180deg=-0.382) USER MOD Single : A 113 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 116 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 118 HIS : no HD1:sc= -0.77 X(o=-0.77,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -25.251 13.425 -10.821 1.00 0.00 N ATOM 2 CA LYS A 1 -25.941 12.403 -9.999 1.00 0.00 C ATOM 3 C LYS A 1 -25.447 12.459 -8.557 1.00 0.00 C ATOM 4 O LYS A 1 -25.548 11.482 -7.819 1.00 0.00 O ATOM 5 CB LYS A 1 -25.693 11.001 -10.570 1.00 0.00 C ATOM 6 CG LYS A 1 -26.075 10.851 -12.033 1.00 0.00 C ATOM 7 CD LYS A 1 -25.947 9.408 -12.495 1.00 0.00 C ATOM 8 CE LYS A 1 -26.176 9.271 -13.993 1.00 0.00 C ATOM 9 NZ LYS A 1 -27.464 9.879 -14.425 1.00 0.00 N ATOM 0 H1 LYS A 1 -25.598 13.375 -11.800 1.00 0.00 H new ATOM 0 H2 LYS A 1 -25.444 14.371 -10.433 1.00 0.00 H new ATOM 0 H3 LYS A 1 -24.226 13.248 -10.807 1.00 0.00 H new ATOM 0 HA LYS A 1 -27.010 12.614 -10.020 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -24.638 10.755 -10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -26.256 10.276 -9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -27.100 11.192 -12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -25.436 11.488 -12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -24.955 9.033 -12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -26.667 8.790 -11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -25.354 9.746 -14.529 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -26.166 8.216 -14.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -27.650 9.630 -15.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -28.236 9.519 -13.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -27.408 10.913 -14.332 1.00 0.00 H new ATOM 25 N SER A 2 -24.964 13.628 -8.145 1.00 0.00 N ATOM 26 CA SER A 2 -24.324 13.789 -6.846 1.00 0.00 C ATOM 27 C SER A 2 -25.339 13.730 -5.702 1.00 0.00 C ATOM 28 O SER A 2 -24.968 13.791 -4.530 1.00 0.00 O ATOM 29 CB SER A 2 -23.578 15.119 -6.813 1.00 0.00 C ATOM 30 OG SER A 2 -22.879 15.338 -8.030 1.00 0.00 O ATOM 0 H SER A 2 -25.005 14.484 -8.699 1.00 0.00 H new ATOM 0 HA SER A 2 -23.625 12.965 -6.706 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.284 15.932 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.876 15.126 -5.979 1.00 0.00 H new ATOM 0 HG SER A 2 -22.409 16.197 -7.987 1.00 0.00 H new ATOM 36 N VAL A 3 -26.618 13.625 -6.045 1.00 0.00 N ATOM 37 CA VAL A 3 -27.670 13.496 -5.045 1.00 0.00 C ATOM 38 C VAL A 3 -27.614 12.112 -4.400 1.00 0.00 C ATOM 39 O VAL A 3 -27.935 11.940 -3.224 1.00 0.00 O ATOM 40 CB VAL A 3 -29.070 13.719 -5.665 1.00 0.00 C ATOM 41 CG1 VAL A 3 -30.159 13.652 -4.603 1.00 0.00 C ATOM 42 CG2 VAL A 3 -29.123 15.050 -6.399 1.00 0.00 C ATOM 0 H VAL A 3 -26.951 13.627 -7.009 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.504 14.262 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 3 -29.250 12.918 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -31.131 13.812 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -30.142 12.672 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -29.984 14.424 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -30.115 15.189 -6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -28.913 15.860 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -28.379 15.056 -7.195 1.00 0.00 H new ATOM 52 N GLN A 4 -27.183 11.129 -5.179 1.00 0.00 N ATOM 53 CA GLN A 4 -27.097 9.757 -4.705 1.00 0.00 C ATOM 54 C GLN A 4 -25.777 9.132 -5.135 1.00 0.00 C ATOM 55 O GLN A 4 -25.510 8.999 -6.330 1.00 0.00 O ATOM 56 CB GLN A 4 -28.269 8.926 -5.238 1.00 0.00 C ATOM 57 CG GLN A 4 -29.619 9.341 -4.672 1.00 0.00 C ATOM 58 CD GLN A 4 -30.780 8.601 -5.311 1.00 0.00 C ATOM 59 OE1 GLN A 4 -30.724 8.222 -6.481 1.00 0.00 O ATOM 60 NE2 GLN A 4 -31.837 8.387 -4.545 1.00 0.00 N ATOM 0 H GLN A 4 -26.887 11.259 -6.146 1.00 0.00 H new ATOM 0 HA GLN A 4 -27.146 9.768 -3.616 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -28.299 9.011 -6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -28.094 7.876 -5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -29.627 9.161 -3.597 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -29.754 10.413 -4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -31.843 8.718 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -32.646 7.891 -4.919 1.00 0.00 H new ATOM 69 N GLU A 5 -24.956 8.769 -4.154 1.00 0.00 N ATOM 70 CA GLU A 5 -23.664 8.143 -4.417 1.00 0.00 C ATOM 71 C GLU A 5 -23.838 6.888 -5.272 1.00 0.00 C ATOM 72 O GLU A 5 -24.855 6.194 -5.175 1.00 0.00 O ATOM 73 CB GLU A 5 -22.964 7.805 -3.095 1.00 0.00 C ATOM 74 CG GLU A 5 -21.548 7.277 -3.259 1.00 0.00 C ATOM 75 CD GLU A 5 -20.674 8.195 -4.090 1.00 0.00 C ATOM 76 OE1 GLU A 5 -20.165 9.198 -3.545 1.00 0.00 O ATOM 77 OE2 GLU A 5 -20.493 7.914 -5.294 1.00 0.00 O ATOM 0 H GLU A 5 -25.164 8.899 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 5 -23.042 8.846 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.937 8.699 -2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -23.558 7.062 -2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -21.097 7.145 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -21.583 6.293 -3.727 1.00 0.00 H new ATOM 84 N LYS A 6 -22.846 6.608 -6.108 1.00 0.00 N ATOM 85 CA LYS A 6 -22.927 5.506 -7.058 1.00 0.00 C ATOM 86 C LYS A 6 -23.092 4.170 -6.345 1.00 0.00 C ATOM 87 O LYS A 6 -23.985 3.387 -6.669 1.00 0.00 O ATOM 88 CB LYS A 6 -21.676 5.456 -7.937 1.00 0.00 C ATOM 89 CG LYS A 6 -21.394 6.743 -8.690 1.00 0.00 C ATOM 90 CD LYS A 6 -20.251 6.550 -9.670 1.00 0.00 C ATOM 91 CE LYS A 6 -19.859 7.851 -10.347 1.00 0.00 C ATOM 92 NZ LYS A 6 -18.859 7.623 -11.423 1.00 0.00 N ATOM 0 H LYS A 6 -21.972 7.132 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 6 -23.803 5.682 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.815 5.218 -7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -21.783 4.643 -8.656 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -22.289 7.061 -9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.145 7.536 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.388 6.140 -9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.541 5.820 -10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.746 8.326 -10.767 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.449 8.539 -9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.612 8.531 -11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.004 7.192 -11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.260 6.986 -12.140 1.00 0.00 H new ATOM 106 N ARG A 7 -22.235 3.925 -5.366 1.00 0.00 N ATOM 107 CA ARG A 7 -22.208 2.644 -4.676 1.00 0.00 C ATOM 108 C ARG A 7 -22.072 2.846 -3.174 1.00 0.00 C ATOM 109 O ARG A 7 -21.967 3.974 -2.698 1.00 0.00 O ATOM 110 CB ARG A 7 -21.046 1.795 -5.195 1.00 0.00 C ATOM 111 CG ARG A 7 -21.204 1.356 -6.641 1.00 0.00 C ATOM 112 CD ARG A 7 -19.930 0.721 -7.170 1.00 0.00 C ATOM 113 NE ARG A 7 -19.492 -0.406 -6.347 1.00 0.00 N ATOM 114 CZ ARG A 7 -18.311 -1.008 -6.483 1.00 0.00 C ATOM 115 NH1 ARG A 7 -17.468 -0.615 -7.431 1.00 0.00 N ATOM 116 NH2 ARG A 7 -17.973 -2.003 -5.671 1.00 0.00 N ATOM 0 H ARG A 7 -21.547 4.599 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 7 -23.147 2.126 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -20.121 2.363 -5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -20.945 0.911 -4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -22.026 0.645 -6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -21.467 2.216 -7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.093 0.380 -8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -19.140 1.471 -7.206 1.00 0.00 H new ATOM 0 HE ARG A 7 -20.127 -0.751 -5.627 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.724 0.149 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -16.564 -1.077 -7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -18.618 -2.308 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -17.069 -2.463 -5.777 1.00 0.00 H new ATOM 130 N ASN A 8 -22.063 1.747 -2.434 1.00 0.00 N ATOM 131 CA ASN A 8 -21.922 1.804 -0.986 1.00 0.00 C ATOM 132 C ASN A 8 -20.451 1.831 -0.601 1.00 0.00 C ATOM 133 O ASN A 8 -20.054 2.510 0.347 1.00 0.00 O ATOM 134 CB ASN A 8 -22.603 0.601 -0.325 1.00 0.00 C ATOM 135 CG ASN A 8 -24.117 0.633 -0.432 1.00 0.00 C ATOM 136 OD1 ASN A 8 -24.763 -0.413 -0.513 1.00 0.00 O ATOM 137 ND2 ASN A 8 -24.697 1.823 -0.417 1.00 0.00 N ATOM 0 H ASN A 8 -22.152 0.804 -2.813 1.00 0.00 H new ATOM 0 HA ASN A 8 -22.404 2.717 -0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -22.233 -0.315 -0.785 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -22.321 0.566 0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -25.713 1.896 -0.474 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -24.128 2.667 -0.349 1.00 0.00 H new ATOM 144 N ASN A 9 -19.647 1.087 -1.342 1.00 0.00 N ATOM 145 CA ASN A 9 -18.222 1.003 -1.072 1.00 0.00 C ATOM 146 C ASN A 9 -17.465 1.947 -2.002 1.00 0.00 C ATOM 147 O ASN A 9 -17.107 1.584 -3.121 1.00 0.00 O ATOM 148 CB ASN A 9 -17.744 -0.443 -1.243 1.00 0.00 C ATOM 149 CG ASN A 9 -16.432 -0.727 -0.536 1.00 0.00 C ATOM 150 OD1 ASN A 9 -15.360 -0.699 -1.139 1.00 0.00 O ATOM 151 ND2 ASN A 9 -16.512 -1.004 0.757 1.00 0.00 N ATOM 0 H ASN A 9 -19.959 0.531 -2.138 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.026 1.306 -0.044 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.509 -1.119 -0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.631 -0.658 -2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.665 -1.204 1.289 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.421 -1.017 1.220 1.00 0.00 H new ATOM 158 N THR A 10 -17.267 3.175 -1.543 1.00 0.00 N ATOM 159 CA THR A 10 -16.614 4.198 -2.342 1.00 0.00 C ATOM 160 C THR A 10 -15.465 4.833 -1.562 1.00 0.00 C ATOM 161 O THR A 10 -15.491 4.867 -0.329 1.00 0.00 O ATOM 162 CB THR A 10 -17.618 5.285 -2.791 1.00 0.00 C ATOM 163 OG1 THR A 10 -16.962 6.261 -3.609 1.00 0.00 O ATOM 164 CG2 THR A 10 -18.261 5.972 -1.594 1.00 0.00 C ATOM 0 H THR A 10 -17.552 3.487 -0.615 1.00 0.00 H new ATOM 0 HA THR A 10 -16.213 3.718 -3.234 1.00 0.00 H new ATOM 0 HB THR A 10 -18.401 4.794 -3.369 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.609 6.942 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.962 6.731 -1.943 1.00 0.00 H new ATOM 0 HG22 THR A 10 -18.794 5.234 -0.994 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.488 6.444 -0.987 1.00 0.00 H new ATOM 172 N ARG A 11 -14.454 5.317 -2.292 1.00 0.00 N ATOM 173 CA ARG A 11 -13.228 5.863 -1.694 1.00 0.00 C ATOM 174 C ARG A 11 -12.540 4.833 -0.804 1.00 0.00 C ATOM 175 O ARG A 11 -11.739 5.180 0.065 1.00 0.00 O ATOM 176 CB ARG A 11 -13.511 7.140 -0.897 1.00 0.00 C ATOM 177 CG ARG A 11 -13.534 8.405 -1.743 1.00 0.00 C ATOM 178 CD ARG A 11 -13.793 9.637 -0.887 1.00 0.00 C ATOM 179 NE ARG A 11 -15.132 9.612 -0.297 1.00 0.00 N ATOM 180 CZ ARG A 11 -15.374 9.431 1.002 1.00 0.00 C ATOM 181 NH1 ARG A 11 -14.361 9.324 1.859 1.00 0.00 N ATOM 182 NH2 ARG A 11 -16.625 9.370 1.444 1.00 0.00 N ATOM 0 H ARG A 11 -14.461 5.342 -3.312 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.558 6.114 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.471 7.035 -0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.753 7.248 -0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.583 8.514 -2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.307 8.321 -2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.047 9.693 -0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.680 10.534 -1.496 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.930 9.741 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.400 9.380 1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.546 9.186 2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.402 9.462 0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.809 9.232 2.438 1.00 0.00 H new ATOM 196 N ALA A 12 -12.843 3.565 -1.039 1.00 0.00 N ATOM 197 CA ALA A 12 -12.240 2.483 -0.286 1.00 0.00 C ATOM 198 C ALA A 12 -10.840 2.203 -0.800 1.00 0.00 C ATOM 199 O ALA A 12 -10.545 2.443 -1.972 1.00 0.00 O ATOM 200 CB ALA A 12 -13.096 1.232 -0.376 1.00 0.00 C ATOM 0 H ALA A 12 -13.508 3.262 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.175 2.782 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.629 0.430 0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.086 1.438 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.189 0.929 -1.419 1.00 0.00 H new ATOM 206 N PHE A 13 -9.991 1.688 0.082 1.00 0.00 N ATOM 207 CA PHE A 13 -8.611 1.379 -0.257 1.00 0.00 C ATOM 208 C PHE A 13 -8.546 0.506 -1.509 1.00 0.00 C ATOM 209 O PHE A 13 -7.685 0.703 -2.358 1.00 0.00 O ATOM 210 CB PHE A 13 -7.927 0.674 0.920 1.00 0.00 C ATOM 211 CG PHE A 13 -6.432 0.578 0.793 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.842 -0.505 0.160 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.617 1.573 1.310 1.00 0.00 C ATOM 214 CE1 PHE A 13 -4.469 -0.591 0.044 1.00 0.00 C ATOM 215 CE2 PHE A 13 -4.243 1.492 1.197 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.668 0.408 0.563 1.00 0.00 C ATOM 0 H PHE A 13 -10.240 1.474 1.048 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.087 2.312 -0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.169 1.207 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.338 -0.331 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.463 -1.290 -0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.062 2.422 1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.021 -1.439 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.619 2.275 1.603 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.594 0.341 0.473 1.00 0.00 H new ATOM 226 N LYS A 14 -9.489 -0.429 -1.632 1.00 0.00 N ATOM 227 CA LYS A 14 -9.529 -1.341 -2.775 1.00 0.00 C ATOM 228 C LYS A 14 -9.641 -0.573 -4.088 1.00 0.00 C ATOM 229 O LYS A 14 -8.759 -0.647 -4.945 1.00 0.00 O ATOM 230 CB LYS A 14 -10.716 -2.306 -2.675 1.00 0.00 C ATOM 231 CG LYS A 14 -10.922 -2.919 -1.300 1.00 0.00 C ATOM 232 CD LYS A 14 -11.729 -4.208 -1.385 1.00 0.00 C ATOM 233 CE LYS A 14 -13.048 -4.020 -2.126 1.00 0.00 C ATOM 234 NZ LYS A 14 -14.066 -3.303 -1.310 1.00 0.00 N ATOM 0 H LYS A 14 -10.236 -0.574 -0.953 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.597 -1.906 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.624 -1.775 -2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.576 -3.109 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.954 -3.123 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.437 -2.207 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.137 -4.971 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.930 -4.575 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.868 -3.464 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.440 -4.995 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.978 -3.798 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.760 -3.279 -0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.172 -2.331 -1.663 1.00 0.00 H new ATOM 248 N THR A 15 -10.731 0.168 -4.227 1.00 0.00 N ATOM 249 CA THR A 15 -11.038 0.885 -5.455 1.00 0.00 C ATOM 250 C THR A 15 -9.955 1.909 -5.787 1.00 0.00 C ATOM 251 O THR A 15 -9.551 2.053 -6.942 1.00 0.00 O ATOM 252 CB THR A 15 -12.398 1.593 -5.328 1.00 0.00 C ATOM 253 OG1 THR A 15 -13.376 0.664 -4.844 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.851 2.160 -6.664 1.00 0.00 C ATOM 0 H THR A 15 -11.427 0.289 -3.491 1.00 0.00 H new ATOM 0 HA THR A 15 -11.079 0.157 -6.265 1.00 0.00 H new ATOM 0 HB THR A 15 -12.290 2.420 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.242 1.115 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.815 2.654 -6.542 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.116 2.882 -7.021 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.947 1.351 -7.389 1.00 0.00 H new ATOM 262 N VAL A 16 -9.475 2.602 -4.766 1.00 0.00 N ATOM 263 CA VAL A 16 -8.476 3.638 -4.961 1.00 0.00 C ATOM 264 C VAL A 16 -7.118 3.038 -5.310 1.00 0.00 C ATOM 265 O VAL A 16 -6.422 3.546 -6.186 1.00 0.00 O ATOM 266 CB VAL A 16 -8.369 4.547 -3.725 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.277 5.593 -3.914 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.716 5.210 -3.473 1.00 0.00 C ATOM 0 H VAL A 16 -9.761 2.465 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.799 4.250 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.099 3.943 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.220 6.224 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.319 5.096 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.509 6.209 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.646 5.856 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.997 5.806 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.472 4.444 -3.299 1.00 0.00 H new ATOM 278 N ALA A 17 -6.751 1.949 -4.644 1.00 0.00 N ATOM 279 CA ALA A 17 -5.515 1.241 -4.971 1.00 0.00 C ATOM 280 C ALA A 17 -5.545 0.742 -6.414 1.00 0.00 C ATOM 281 O ALA A 17 -4.536 0.782 -7.111 1.00 0.00 O ATOM 282 CB ALA A 17 -5.280 0.083 -4.014 1.00 0.00 C ATOM 0 H ALA A 17 -7.286 1.538 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.688 1.943 -4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.354 -0.427 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.206 0.463 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.112 -0.618 -4.080 1.00 0.00 H new ATOM 288 N LYS A 18 -6.710 0.280 -6.859 1.00 0.00 N ATOM 289 CA LYS A 18 -6.881 -0.148 -8.245 1.00 0.00 C ATOM 290 C LYS A 18 -6.748 1.039 -9.195 1.00 0.00 C ATOM 291 O LYS A 18 -6.107 0.941 -10.244 1.00 0.00 O ATOM 292 CB LYS A 18 -8.238 -0.828 -8.442 1.00 0.00 C ATOM 293 CG LYS A 18 -8.307 -2.233 -7.877 1.00 0.00 C ATOM 294 CD LYS A 18 -9.675 -2.859 -8.086 1.00 0.00 C ATOM 295 CE LYS A 18 -9.700 -4.309 -7.627 1.00 0.00 C ATOM 296 NZ LYS A 18 -8.863 -5.184 -8.490 1.00 0.00 N ATOM 0 H LYS A 18 -7.547 0.192 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.096 -0.869 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.010 -0.219 -7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.465 -0.864 -9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.547 -2.853 -8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.078 -2.208 -6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.425 -2.289 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.944 -2.805 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.345 -4.369 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.728 -4.672 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.469 -5.880 -8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.372 -4.604 -9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.162 -5.681 -7.904 1.00 0.00 H new ATOM 310 N SER A 19 -7.351 2.161 -8.817 1.00 0.00 N ATOM 311 CA SER A 19 -7.250 3.385 -9.600 1.00 0.00 C ATOM 312 C SER A 19 -5.795 3.846 -9.658 1.00 0.00 C ATOM 313 O SER A 19 -5.303 4.272 -10.702 1.00 0.00 O ATOM 314 CB SER A 19 -8.135 4.478 -8.990 1.00 0.00 C ATOM 315 OG SER A 19 -9.483 4.046 -8.875 1.00 0.00 O ATOM 0 H SER A 19 -7.915 2.247 -7.972 1.00 0.00 H new ATOM 0 HA SER A 19 -7.596 3.188 -10.615 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.753 4.751 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.089 5.374 -9.610 1.00 0.00 H new ATOM 0 HG SER A 19 -9.546 3.350 -8.188 1.00 0.00 H new ATOM 321 N TRP A 20 -5.116 3.731 -8.524 1.00 0.00 N ATOM 322 CA TRP A 20 -3.703 4.060 -8.416 1.00 0.00 C ATOM 323 C TRP A 20 -2.869 3.126 -9.286 1.00 0.00 C ATOM 324 O TRP A 20 -2.017 3.572 -10.043 1.00 0.00 O ATOM 325 CB TRP A 20 -3.265 3.963 -6.950 1.00 0.00 C ATOM 326 CG TRP A 20 -1.798 4.180 -6.732 1.00 0.00 C ATOM 327 CD1 TRP A 20 -1.146 5.375 -6.656 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.803 3.164 -6.548 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.193 5.168 -6.439 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.429 3.818 -6.371 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.834 1.766 -6.521 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.618 3.121 -6.164 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.346 1.076 -6.317 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.557 1.754 -6.140 1.00 0.00 C ATOM 0 H TRP A 20 -5.532 3.406 -7.651 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.546 5.080 -8.768 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.820 4.698 -6.367 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.537 2.980 -6.565 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.615 6.343 -6.752 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.898 5.899 -6.344 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.764 1.235 -6.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.554 3.641 -6.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.333 -0.004 -6.294 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.462 1.187 -5.981 1.00 0.00 H new ATOM 345 N PHE A 21 -3.143 1.832 -9.186 1.00 0.00 N ATOM 346 CA PHE A 21 -2.412 0.814 -9.935 1.00 0.00 C ATOM 347 C PHE A 21 -2.465 1.085 -11.440 1.00 0.00 C ATOM 348 O PHE A 21 -1.478 0.888 -12.152 1.00 0.00 O ATOM 349 CB PHE A 21 -3.000 -0.566 -9.622 1.00 0.00 C ATOM 350 CG PHE A 21 -2.302 -1.711 -10.303 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.040 -2.111 -9.897 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.916 -2.395 -11.341 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.402 -3.171 -10.513 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.282 -3.454 -11.963 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.024 -3.843 -11.548 1.00 0.00 C ATOM 0 H PHE A 21 -3.877 1.457 -8.585 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.365 0.844 -9.632 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.966 -0.726 -8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.051 -0.573 -9.912 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.549 -1.589 -9.090 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.901 -2.097 -11.667 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.582 -3.474 -10.186 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.770 -3.976 -12.773 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.527 -4.671 -12.031 1.00 0.00 H new ATOM 365 N ALA A 22 -3.612 1.556 -11.911 1.00 0.00 N ATOM 366 CA ALA A 22 -3.812 1.820 -13.331 1.00 0.00 C ATOM 367 C ALA A 22 -3.244 3.179 -13.740 1.00 0.00 C ATOM 368 O ALA A 22 -3.137 3.485 -14.925 1.00 0.00 O ATOM 369 CB ALA A 22 -5.291 1.741 -13.673 1.00 0.00 C ATOM 0 H ALA A 22 -4.422 1.764 -11.328 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.272 1.057 -13.891 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.430 1.940 -14.736 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.666 0.745 -13.438 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.839 2.482 -13.091 1.00 0.00 H new ATOM 375 N THR A 23 -2.878 3.988 -12.758 1.00 0.00 N ATOM 376 CA THR A 23 -2.348 5.319 -13.023 1.00 0.00 C ATOM 377 C THR A 23 -0.843 5.373 -12.732 1.00 0.00 C ATOM 378 O THR A 23 -0.118 6.217 -13.258 1.00 0.00 O ATOM 379 CB THR A 23 -3.094 6.373 -12.174 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.511 6.198 -12.331 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.716 7.788 -12.583 1.00 0.00 C ATOM 0 H THR A 23 -2.938 3.747 -11.769 1.00 0.00 H new ATOM 0 HA THR A 23 -2.502 5.544 -14.078 1.00 0.00 H new ATOM 0 HB THR A 23 -2.807 6.231 -11.132 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.855 5.642 -11.601 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.259 8.503 -11.965 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.644 7.932 -12.447 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.973 7.945 -13.631 1.00 0.00 H new ATOM 389 N LYS A 24 -0.380 4.447 -11.905 1.00 0.00 N ATOM 390 CA LYS A 24 1.027 4.360 -11.539 1.00 0.00 C ATOM 391 C LYS A 24 1.732 3.340 -12.435 1.00 0.00 C ATOM 392 O LYS A 24 2.642 2.628 -12.010 1.00 0.00 O ATOM 393 CB LYS A 24 1.146 3.964 -10.061 1.00 0.00 C ATOM 394 CG LYS A 24 2.553 4.065 -9.493 1.00 0.00 C ATOM 395 CD LYS A 24 3.077 5.490 -9.539 1.00 0.00 C ATOM 396 CE LYS A 24 4.503 5.568 -9.030 1.00 0.00 C ATOM 397 NZ LYS A 24 5.046 6.947 -9.107 1.00 0.00 N ATOM 0 H LYS A 24 -0.967 3.736 -11.469 1.00 0.00 H new ATOM 0 HA LYS A 24 1.506 5.329 -11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.484 4.600 -9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.793 2.940 -9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.556 3.709 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.221 3.413 -10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.033 5.863 -10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.437 6.135 -8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.539 5.221 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.133 4.897 -9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.023 6.956 -8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.036 7.269 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.460 7.584 -8.530 1.00 0.00 H new ATOM 411 N THR A 25 1.326 3.305 -13.696 1.00 0.00 N ATOM 412 CA THR A 25 1.855 2.347 -14.658 1.00 0.00 C ATOM 413 C THR A 25 3.247 2.738 -15.157 1.00 0.00 C ATOM 414 O THR A 25 3.692 2.285 -16.211 1.00 0.00 O ATOM 415 CB THR A 25 0.895 2.218 -15.854 1.00 0.00 C ATOM 416 OG1 THR A 25 0.451 3.519 -16.267 1.00 0.00 O ATOM 417 CG2 THR A 25 -0.309 1.364 -15.490 1.00 0.00 C ATOM 0 H THR A 25 0.624 3.937 -14.081 1.00 0.00 H new ATOM 0 HA THR A 25 1.944 1.389 -14.146 1.00 0.00 H new ATOM 0 HB THR A 25 1.431 1.737 -16.672 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.158 3.430 -17.029 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.974 1.287 -16.350 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.026 0.368 -15.199 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.843 1.824 -14.659 1.00 0.00 H new ATOM 425 N THR A 26 3.933 3.567 -14.382 1.00 0.00 N ATOM 426 CA THR A 26 5.260 4.038 -14.733 1.00 0.00 C ATOM 427 C THR A 26 6.312 2.975 -14.410 1.00 0.00 C ATOM 428 O THR A 26 7.444 3.029 -14.893 1.00 0.00 O ATOM 429 CB THR A 26 5.575 5.338 -13.975 1.00 0.00 C ATOM 430 OG1 THR A 26 4.418 6.188 -13.998 1.00 0.00 O ATOM 431 CG2 THR A 26 6.752 6.069 -14.603 1.00 0.00 C ATOM 0 H THR A 26 3.584 3.930 -13.495 1.00 0.00 H new ATOM 0 HA THR A 26 5.285 4.235 -15.805 1.00 0.00 H new ATOM 0 HB THR A 26 5.839 5.085 -12.948 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.612 7.018 -13.515 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.951 6.984 -14.046 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.634 5.429 -14.577 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.515 6.318 -15.637 1.00 0.00 H new ATOM 439 N TRP A 27 5.929 2.005 -13.588 1.00 0.00 N ATOM 440 CA TRP A 27 6.802 0.881 -13.281 1.00 0.00 C ATOM 441 C TRP A 27 6.707 -0.164 -14.385 1.00 0.00 C ATOM 442 O TRP A 27 5.934 -0.007 -15.331 1.00 0.00 O ATOM 443 CB TRP A 27 6.428 0.238 -11.942 1.00 0.00 C ATOM 444 CG TRP A 27 6.682 1.103 -10.743 1.00 0.00 C ATOM 445 CD1 TRP A 27 7.625 2.082 -10.614 1.00 0.00 C ATOM 446 CD2 TRP A 27 5.998 1.037 -9.486 1.00 0.00 C ATOM 447 NE1 TRP A 27 7.561 2.635 -9.358 1.00 0.00 N ATOM 448 CE2 TRP A 27 6.571 2.010 -8.646 1.00 0.00 C ATOM 449 CE3 TRP A 27 4.952 0.254 -8.994 1.00 0.00 C ATOM 450 CZ2 TRP A 27 6.134 2.214 -7.340 1.00 0.00 C ATOM 451 CZ3 TRP A 27 4.521 0.457 -7.697 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.110 1.432 -6.883 1.00 0.00 C ATOM 0 H TRP A 27 5.021 1.975 -13.124 1.00 0.00 H new ATOM 0 HA TRP A 27 7.823 1.257 -13.212 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.371 -0.029 -11.964 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.989 -0.690 -11.830 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.319 2.378 -11.386 1.00 0.00 H new ATOM 0 HE1 TRP A 27 8.154 3.389 -9.012 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.488 -0.497 -9.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.588 2.964 -6.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.716 -0.147 -7.304 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.748 1.569 -5.875 1.00 0.00 H new ATOM 463 N SER A 28 7.493 -1.221 -14.268 1.00 0.00 N ATOM 464 CA SER A 28 7.412 -2.334 -15.198 1.00 0.00 C ATOM 465 C SER A 28 6.267 -3.257 -14.794 1.00 0.00 C ATOM 466 O SER A 28 5.885 -3.297 -13.621 1.00 0.00 O ATOM 467 CB SER A 28 8.736 -3.094 -15.213 1.00 0.00 C ATOM 468 OG SER A 28 9.817 -2.216 -15.485 1.00 0.00 O ATOM 0 H SER A 28 8.196 -1.332 -13.537 1.00 0.00 H new ATOM 0 HA SER A 28 7.219 -1.956 -16.202 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.891 -3.582 -14.251 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.701 -3.880 -15.967 1.00 0.00 H new ATOM 0 HG SER A 28 10.656 -2.722 -15.489 1.00 0.00 H new ATOM 474 N GLU A 29 5.722 -3.993 -15.756 1.00 0.00 N ATOM 475 CA GLU A 29 4.562 -4.841 -15.505 1.00 0.00 C ATOM 476 C GLU A 29 4.910 -5.961 -14.526 1.00 0.00 C ATOM 477 O GLU A 29 4.107 -6.308 -13.658 1.00 0.00 O ATOM 478 CB GLU A 29 4.031 -5.417 -16.822 1.00 0.00 C ATOM 479 CG GLU A 29 2.667 -6.079 -16.694 1.00 0.00 C ATOM 480 CD GLU A 29 2.061 -6.430 -18.036 1.00 0.00 C ATOM 481 OE1 GLU A 29 1.617 -5.507 -18.752 1.00 0.00 O ATOM 482 OE2 GLU A 29 2.016 -7.625 -18.385 1.00 0.00 O ATOM 0 H GLU A 29 6.064 -4.020 -16.716 1.00 0.00 H new ATOM 0 HA GLU A 29 3.780 -4.231 -15.053 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.969 -4.617 -17.559 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.745 -6.147 -17.203 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.762 -6.984 -16.095 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.992 -5.411 -16.158 1.00 0.00 H new ATOM 489 N ASP A 30 6.116 -6.501 -14.654 1.00 0.00 N ATOM 490 CA ASP A 30 6.596 -7.543 -13.747 1.00 0.00 C ATOM 491 C ASP A 30 6.657 -7.018 -12.316 1.00 0.00 C ATOM 492 O ASP A 30 6.237 -7.691 -11.368 1.00 0.00 O ATOM 493 CB ASP A 30 7.980 -8.029 -14.191 1.00 0.00 C ATOM 494 CG ASP A 30 8.576 -9.058 -13.251 1.00 0.00 C ATOM 495 OD1 ASP A 30 8.213 -10.249 -13.356 1.00 0.00 O ATOM 496 OD2 ASP A 30 9.437 -8.689 -12.424 1.00 0.00 O ATOM 0 H ASP A 30 6.783 -6.235 -15.378 1.00 0.00 H new ATOM 0 HA ASP A 30 5.899 -8.381 -13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.905 -8.458 -15.190 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.654 -7.175 -14.261 1.00 0.00 H new ATOM 501 N TYR A 31 7.166 -5.802 -12.170 1.00 0.00 N ATOM 502 CA TYR A 31 7.275 -5.166 -10.866 1.00 0.00 C ATOM 503 C TYR A 31 5.890 -4.837 -10.315 1.00 0.00 C ATOM 504 O TYR A 31 5.588 -5.156 -9.167 1.00 0.00 O ATOM 505 CB TYR A 31 8.132 -3.898 -10.960 1.00 0.00 C ATOM 506 CG TYR A 31 8.484 -3.281 -9.621 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.113 -4.029 -8.631 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.197 -1.949 -9.350 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.444 -3.465 -7.411 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.528 -1.378 -8.134 1.00 0.00 C ATOM 511 CZ TYR A 31 9.150 -2.140 -7.168 1.00 0.00 C ATOM 512 OH TYR A 31 9.481 -1.575 -5.953 1.00 0.00 O ATOM 0 H TYR A 31 7.511 -5.234 -12.944 1.00 0.00 H new ATOM 0 HA TYR A 31 7.761 -5.861 -10.181 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.054 -4.135 -11.491 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.601 -3.158 -11.559 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.347 -5.067 -8.817 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.707 -1.348 -10.102 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.931 -4.060 -6.653 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.300 -0.340 -7.942 1.00 0.00 H new ATOM 0 HH TYR A 31 9.206 -0.634 -5.944 1.00 0.00 H new ATOM 522 N GLN A 32 5.043 -4.226 -11.143 1.00 0.00 N ATOM 523 CA GLN A 32 3.692 -3.858 -10.720 1.00 0.00 C ATOM 524 C GLN A 32 2.881 -5.077 -10.301 1.00 0.00 C ATOM 525 O GLN A 32 2.148 -5.029 -9.315 1.00 0.00 O ATOM 526 CB GLN A 32 2.948 -3.101 -11.821 1.00 0.00 C ATOM 527 CG GLN A 32 3.383 -1.655 -11.976 1.00 0.00 C ATOM 528 CD GLN A 32 2.407 -0.850 -12.810 1.00 0.00 C ATOM 529 OE1 GLN A 32 2.539 -0.757 -14.030 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.414 -0.269 -12.154 1.00 0.00 N ATOM 0 H GLN A 32 5.267 -3.976 -12.106 1.00 0.00 H new ATOM 0 HA GLN A 32 3.804 -3.203 -9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.097 -3.619 -12.769 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.879 -3.128 -11.608 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.479 -1.199 -10.991 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.369 -1.622 -12.440 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.342 -0.372 -11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.721 0.281 -12.661 1.00 0.00 H new ATOM 539 N ARG A 33 3.011 -6.167 -11.049 1.00 0.00 N ATOM 540 CA ARG A 33 2.301 -7.396 -10.721 1.00 0.00 C ATOM 541 C ARG A 33 2.760 -7.931 -9.366 1.00 0.00 C ATOM 542 O ARG A 33 1.953 -8.407 -8.568 1.00 0.00 O ATOM 543 CB ARG A 33 2.511 -8.450 -11.809 1.00 0.00 C ATOM 544 CG ARG A 33 1.719 -9.724 -11.579 1.00 0.00 C ATOM 545 CD ARG A 33 1.870 -10.693 -12.736 1.00 0.00 C ATOM 546 NE ARG A 33 1.103 -11.918 -12.524 1.00 0.00 N ATOM 547 CZ ARG A 33 0.540 -12.626 -13.503 1.00 0.00 C ATOM 548 NH1 ARG A 33 0.636 -12.219 -14.764 1.00 0.00 N ATOM 549 NH2 ARG A 33 -0.141 -13.726 -13.212 1.00 0.00 N ATOM 0 H ARG A 33 3.598 -6.224 -11.881 1.00 0.00 H new ATOM 0 HA ARG A 33 1.236 -7.171 -10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.230 -8.026 -12.773 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.571 -8.696 -11.866 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.055 -10.201 -10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.666 -9.479 -11.444 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.540 -10.213 -13.657 1.00 0.00 H new ATOM 0 HD3 ARG A 33 2.923 -10.942 -12.866 1.00 0.00 H new ATOM 0 HE ARG A 33 0.991 -12.253 -11.567 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.142 -11.362 -14.986 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.204 -12.764 -15.510 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.233 -14.028 -12.242 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.573 -14.271 -13.958 1.00 0.00 H new ATOM 563 N SER A 34 4.058 -7.835 -9.111 1.00 0.00 N ATOM 564 CA SER A 34 4.617 -8.246 -7.830 1.00 0.00 C ATOM 565 C SER A 34 4.086 -7.351 -6.710 1.00 0.00 C ATOM 566 O SER A 34 3.740 -7.826 -5.625 1.00 0.00 O ATOM 567 CB SER A 34 6.144 -8.180 -7.882 1.00 0.00 C ATOM 568 OG SER A 34 6.657 -8.963 -8.951 1.00 0.00 O ATOM 0 H SER A 34 4.744 -7.476 -9.775 1.00 0.00 H new ATOM 0 HA SER A 34 4.315 -9.273 -7.626 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.462 -7.144 -8.002 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.558 -8.534 -6.938 1.00 0.00 H new ATOM 0 HG SER A 34 6.485 -8.508 -9.802 1.00 0.00 H new ATOM 574 N VAL A 35 4.015 -6.054 -6.993 1.00 0.00 N ATOM 575 CA VAL A 35 3.489 -5.082 -6.044 1.00 0.00 C ATOM 576 C VAL A 35 2.035 -5.393 -5.697 1.00 0.00 C ATOM 577 O VAL A 35 1.704 -5.632 -4.537 1.00 0.00 O ATOM 578 CB VAL A 35 3.578 -3.638 -6.603 1.00 0.00 C ATOM 579 CG1 VAL A 35 2.911 -2.645 -5.665 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.025 -3.240 -6.847 1.00 0.00 C ATOM 0 H VAL A 35 4.318 -5.651 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 35 4.101 -5.151 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 35 3.047 -3.619 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.989 -1.641 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.860 -2.908 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.405 -2.673 -4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.062 -2.224 -7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.579 -3.288 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.474 -3.923 -7.568 1.00 0.00 H new ATOM 590 N TRP A 36 1.186 -5.418 -6.721 1.00 0.00 N ATOM 591 CA TRP A 36 -0.255 -5.559 -6.539 1.00 0.00 C ATOM 592 C TRP A 36 -0.614 -6.838 -5.782 1.00 0.00 C ATOM 593 O TRP A 36 -1.436 -6.811 -4.864 1.00 0.00 O ATOM 594 CB TRP A 36 -0.959 -5.532 -7.900 1.00 0.00 C ATOM 595 CG TRP A 36 -2.450 -5.599 -7.797 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.250 -6.627 -8.196 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.317 -4.602 -7.249 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.564 -6.330 -7.929 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.629 -5.094 -7.347 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.112 -3.340 -6.685 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.729 -4.375 -6.900 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.207 -2.626 -6.243 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.500 -3.145 -6.353 1.00 0.00 C ATOM 0 H TRP A 36 1.476 -5.341 -7.696 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.597 -4.718 -5.936 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.679 -4.620 -8.428 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.605 -6.370 -8.501 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.902 -7.541 -8.655 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.361 -6.933 -8.132 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.116 -2.931 -6.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.729 -4.774 -6.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.062 -1.650 -5.805 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.336 -2.561 -5.998 1.00 0.00 H new ATOM 614 N THR A 37 0.015 -7.944 -6.149 1.00 0.00 N ATOM 615 CA THR A 37 -0.281 -9.226 -5.521 1.00 0.00 C ATOM 616 C THR A 37 0.061 -9.208 -4.031 1.00 0.00 C ATOM 617 O THR A 37 -0.717 -9.677 -3.194 1.00 0.00 O ATOM 618 CB THR A 37 0.471 -10.373 -6.222 1.00 0.00 C ATOM 619 OG1 THR A 37 1.843 -10.009 -6.424 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.173 -10.707 -7.560 1.00 0.00 C ATOM 0 H THR A 37 0.731 -7.982 -6.875 1.00 0.00 H new ATOM 0 HA THR A 37 -1.352 -9.397 -5.625 1.00 0.00 H new ATOM 0 HB THR A 37 0.419 -11.254 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.927 -9.502 -7.258 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.376 -11.520 -8.035 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.207 -11.013 -7.400 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.150 -9.828 -8.204 1.00 0.00 H new ATOM 628 N ARG A 38 1.213 -8.642 -3.691 1.00 0.00 N ATOM 629 CA ARG A 38 1.625 -8.555 -2.298 1.00 0.00 C ATOM 630 C ARG A 38 0.770 -7.544 -1.542 1.00 0.00 C ATOM 631 O ARG A 38 0.540 -7.690 -0.339 1.00 0.00 O ATOM 632 CB ARG A 38 3.108 -8.209 -2.203 1.00 0.00 C ATOM 633 CG ARG A 38 3.993 -9.315 -2.747 1.00 0.00 C ATOM 634 CD ARG A 38 5.455 -8.918 -2.770 1.00 0.00 C ATOM 635 NE ARG A 38 6.268 -9.958 -3.397 1.00 0.00 N ATOM 636 CZ ARG A 38 7.235 -9.719 -4.280 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.559 -8.471 -4.593 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.875 -10.730 -4.858 1.00 0.00 N ATOM 0 H ARG A 38 1.873 -8.240 -4.356 1.00 0.00 H new ATOM 0 HA ARG A 38 1.475 -9.528 -1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.300 -7.289 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.368 -8.017 -1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.871 -10.210 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.672 -9.572 -3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.573 -7.981 -3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.804 -8.742 -1.753 1.00 0.00 H new ATOM 0 HE ARG A 38 6.083 -10.928 -3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.067 -7.692 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.300 -8.291 -5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.626 -11.691 -4.625 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.616 -10.545 -5.534 1.00 0.00 H new ATOM 652 N LEU A 39 0.278 -6.534 -2.255 1.00 0.00 N ATOM 653 CA LEU A 39 -0.642 -5.573 -1.664 1.00 0.00 C ATOM 654 C LEU A 39 -1.926 -6.274 -1.238 1.00 0.00 C ATOM 655 O LEU A 39 -2.356 -6.147 -0.099 1.00 0.00 O ATOM 656 CB LEU A 39 -0.973 -4.439 -2.640 1.00 0.00 C ATOM 657 CG LEU A 39 0.198 -3.538 -3.038 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.284 -2.422 -3.955 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.876 -2.962 -1.804 1.00 0.00 C ATOM 0 H LEU A 39 0.500 -6.362 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.154 -5.138 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.394 -4.876 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.750 -3.817 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 39 0.930 -4.139 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.559 -1.788 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.723 -2.854 -4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.034 -1.824 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.706 -2.324 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.156 -2.374 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.252 -3.775 -1.183 1.00 0.00 H new ATOM 671 N GLU A 40 -2.517 -7.042 -2.151 1.00 0.00 N ATOM 672 CA GLU A 40 -3.765 -7.746 -1.862 1.00 0.00 C ATOM 673 C GLU A 40 -3.588 -8.743 -0.720 1.00 0.00 C ATOM 674 O GLU A 40 -4.526 -9.026 0.027 1.00 0.00 O ATOM 675 CB GLU A 40 -4.282 -8.477 -3.100 1.00 0.00 C ATOM 676 CG GLU A 40 -4.585 -7.565 -4.276 1.00 0.00 C ATOM 677 CD GLU A 40 -5.337 -8.278 -5.380 1.00 0.00 C ATOM 678 OE1 GLU A 40 -4.731 -9.107 -6.090 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.548 -8.014 -5.541 1.00 0.00 O ATOM 0 H GLU A 40 -2.154 -7.192 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.495 -6.994 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.542 -9.216 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.187 -9.023 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.172 -6.714 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.651 -7.167 -4.674 1.00 0.00 H new ATOM 686 N THR A 41 -2.380 -9.267 -0.586 1.00 0.00 N ATOM 687 CA THR A 41 -2.091 -10.263 0.429 1.00 0.00 C ATOM 688 C THR A 41 -1.954 -9.641 1.824 1.00 0.00 C ATOM 689 O THR A 41 -2.548 -10.127 2.784 1.00 0.00 O ATOM 690 CB THR A 41 -0.808 -11.044 0.081 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.916 -11.588 -1.242 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.571 -12.175 1.069 1.00 0.00 C ATOM 0 H THR A 41 -1.582 -9.017 -1.171 1.00 0.00 H new ATOM 0 HA THR A 41 -2.938 -10.949 0.447 1.00 0.00 H new ATOM 0 HB THR A 41 0.034 -10.353 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.824 -10.868 -1.900 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.340 -12.709 0.799 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.468 -11.765 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.416 -12.863 1.043 1.00 0.00 H new ATOM 700 N TYR A 42 -1.181 -8.565 1.939 1.00 0.00 N ATOM 701 CA TYR A 42 -0.871 -8.002 3.250 1.00 0.00 C ATOM 702 C TYR A 42 -1.544 -6.650 3.501 1.00 0.00 C ATOM 703 O TYR A 42 -1.909 -6.335 4.630 1.00 0.00 O ATOM 704 CB TYR A 42 0.646 -7.865 3.415 1.00 0.00 C ATOM 705 CG TYR A 42 1.386 -9.181 3.316 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.327 -10.111 4.345 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.132 -9.499 2.186 1.00 0.00 C ATOM 708 CE1 TYR A 42 1.993 -11.319 4.255 1.00 0.00 C ATOM 709 CE2 TYR A 42 2.796 -10.707 2.086 1.00 0.00 C ATOM 710 CZ TYR A 42 2.723 -11.613 3.123 1.00 0.00 C ATOM 711 OH TYR A 42 3.375 -12.822 3.028 1.00 0.00 O ATOM 0 H TYR A 42 -0.762 -8.070 1.151 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.271 -8.695 3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.026 -7.185 2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.858 -7.410 4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.751 -9.887 5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.193 -8.790 1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.942 -12.029 5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.369 -10.940 1.201 1.00 0.00 H new ATOM 0 HH TYR A 42 3.843 -12.875 2.168 1.00 0.00 H new ATOM 721 N LEU A 43 -1.727 -5.862 2.454 1.00 0.00 N ATOM 722 CA LEU A 43 -2.162 -4.476 2.609 1.00 0.00 C ATOM 723 C LEU A 43 -3.636 -4.303 2.228 1.00 0.00 C ATOM 724 O LEU A 43 -4.109 -3.192 2.012 1.00 0.00 O ATOM 725 CB LEU A 43 -1.282 -3.571 1.742 1.00 0.00 C ATOM 726 CG LEU A 43 -1.275 -2.093 2.126 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.606 -1.898 3.477 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.571 -1.275 1.057 1.00 0.00 C ATOM 0 H LEU A 43 -1.582 -6.154 1.487 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.060 -4.197 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.258 -3.943 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.612 -3.657 0.707 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.306 -1.748 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.610 -0.839 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.150 -2.459 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.422 -2.256 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.573 -0.223 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.458 -1.621 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.091 -1.393 0.107 1.00 0.00 H new ATOM 740 N PHE A 44 -4.360 -5.407 2.152 1.00 0.00 N ATOM 741 CA PHE A 44 -5.777 -5.372 1.791 1.00 0.00 C ATOM 742 C PHE A 44 -6.704 -6.001 2.850 1.00 0.00 C ATOM 743 O PHE A 44 -7.787 -5.470 3.086 1.00 0.00 O ATOM 744 CB PHE A 44 -6.010 -6.044 0.437 1.00 0.00 C ATOM 745 CG PHE A 44 -6.002 -5.082 -0.717 1.00 0.00 C ATOM 746 CD1 PHE A 44 -4.821 -4.504 -1.153 1.00 0.00 C ATOM 747 CD2 PHE A 44 -7.181 -4.759 -1.368 1.00 0.00 C ATOM 748 CE1 PHE A 44 -4.816 -3.624 -2.216 1.00 0.00 C ATOM 749 CE2 PHE A 44 -7.182 -3.878 -2.430 1.00 0.00 C ATOM 750 CZ PHE A 44 -5.999 -3.310 -2.855 1.00 0.00 C ATOM 0 H PHE A 44 -3.994 -6.342 2.335 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.038 -4.315 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.239 -6.798 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.967 -6.566 0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.893 -4.745 -0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.110 -5.202 -1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.888 -3.182 -2.548 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.108 -3.633 -2.928 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.998 -2.621 -3.686 1.00 0.00 H new ATOM 760 N PRO A 45 -6.324 -7.125 3.507 1.00 0.00 N ATOM 761 CA PRO A 45 -7.222 -7.820 4.449 1.00 0.00 C ATOM 762 C PRO A 45 -7.696 -6.935 5.599 1.00 0.00 C ATOM 763 O PRO A 45 -8.821 -7.071 6.080 1.00 0.00 O ATOM 764 CB PRO A 45 -6.363 -8.963 4.999 1.00 0.00 C ATOM 765 CG PRO A 45 -5.302 -9.170 3.981 1.00 0.00 C ATOM 766 CD PRO A 45 -5.028 -7.817 3.396 1.00 0.00 C ATOM 0 HA PRO A 45 -8.133 -8.143 3.946 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.935 -8.705 5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.954 -9.867 5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.403 -9.590 4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.629 -9.870 3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.245 -7.293 3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.698 -7.887 2.360 1.00 0.00 H new ATOM 774 N ASP A 46 -6.834 -6.031 6.031 1.00 0.00 N ATOM 775 CA ASP A 46 -7.108 -5.213 7.203 1.00 0.00 C ATOM 776 C ASP A 46 -7.722 -3.866 6.827 1.00 0.00 C ATOM 777 O ASP A 46 -8.724 -3.447 7.404 1.00 0.00 O ATOM 778 CB ASP A 46 -5.816 -4.990 8.000 1.00 0.00 C ATOM 779 CG ASP A 46 -5.240 -6.280 8.559 1.00 0.00 C ATOM 780 OD1 ASP A 46 -4.584 -7.028 7.799 1.00 0.00 O ATOM 781 OD2 ASP A 46 -5.437 -6.553 9.761 1.00 0.00 O ATOM 0 H ASP A 46 -5.935 -5.843 5.587 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.832 -5.749 7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.075 -4.515 7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.015 -4.300 8.820 1.00 0.00 H new ATOM 786 N ILE A 47 -7.129 -3.200 5.844 1.00 0.00 N ATOM 787 CA ILE A 47 -7.493 -1.819 5.524 1.00 0.00 C ATOM 788 C ILE A 47 -8.304 -1.700 4.236 1.00 0.00 C ATOM 789 O ILE A 47 -8.783 -0.619 3.901 1.00 0.00 O ATOM 790 CB ILE A 47 -6.234 -0.944 5.391 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.189 -1.671 4.540 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.677 -0.589 6.761 1.00 0.00 C ATOM 793 CD1 ILE A 47 -3.888 -0.921 4.384 1.00 0.00 C ATOM 0 H ILE A 47 -6.395 -3.590 5.253 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.115 -1.474 6.350 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.500 -0.011 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.984 -2.643 4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.608 -1.858 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.787 0.030 6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.428 -0.040 7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.415 -1.502 7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.203 -1.504 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.077 0.040 3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.443 -0.757 5.365 1.00 0.00 H new ATOM 805 N GLY A 48 -8.468 -2.804 3.524 1.00 0.00 N ATOM 806 CA GLY A 48 -9.114 -2.761 2.225 1.00 0.00 C ATOM 807 C GLY A 48 -10.566 -2.322 2.287 1.00 0.00 C ATOM 808 O GLY A 48 -11.015 -1.520 1.464 1.00 0.00 O ATOM 0 H GLY A 48 -8.165 -3.732 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.564 -2.079 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.060 -3.749 1.768 1.00 0.00 H new ATOM 812 N ASN A 49 -11.303 -2.839 3.259 1.00 0.00 N ATOM 813 CA ASN A 49 -12.734 -2.566 3.354 1.00 0.00 C ATOM 814 C ASN A 49 -13.018 -1.506 4.416 1.00 0.00 C ATOM 815 O ASN A 49 -14.157 -1.082 4.604 1.00 0.00 O ATOM 816 CB ASN A 49 -13.493 -3.856 3.682 1.00 0.00 C ATOM 817 CG ASN A 49 -14.994 -3.718 3.497 1.00 0.00 C ATOM 818 OD1 ASN A 49 -15.462 -2.974 2.634 1.00 0.00 O ATOM 819 ND2 ASN A 49 -15.756 -4.423 4.316 1.00 0.00 N ATOM 0 H ASN A 49 -10.938 -3.448 3.992 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.075 -2.184 2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.125 -4.661 3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.283 -4.144 4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.772 -4.362 4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.328 -5.028 5.017 1.00 0.00 H new ATOM 826 N LYS A 50 -11.974 -1.071 5.098 1.00 0.00 N ATOM 827 CA LYS A 50 -12.117 -0.102 6.176 1.00 0.00 C ATOM 828 C LYS A 50 -12.018 1.308 5.599 1.00 0.00 C ATOM 829 O LYS A 50 -11.271 1.527 4.643 1.00 0.00 O ATOM 830 CB LYS A 50 -11.029 -0.351 7.229 1.00 0.00 C ATOM 831 CG LYS A 50 -11.355 0.176 8.620 1.00 0.00 C ATOM 832 CD LYS A 50 -10.409 -0.419 9.657 1.00 0.00 C ATOM 833 CE LYS A 50 -10.810 -0.061 11.084 1.00 0.00 C ATOM 834 NZ LYS A 50 -10.507 1.354 11.420 1.00 0.00 N ATOM 0 H LYS A 50 -11.015 -1.373 4.926 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.089 -0.209 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.846 -1.423 7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.102 0.110 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.276 1.263 8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.385 -0.071 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.392 -1.503 9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.396 -0.063 9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.877 -0.242 11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.288 -0.717 11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.751 1.534 12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.494 1.536 11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.064 1.983 10.808 1.00 0.00 H new ATOM 848 N ASP A 51 -12.793 2.248 6.147 1.00 0.00 N ATOM 849 CA ASP A 51 -12.783 3.629 5.656 1.00 0.00 C ATOM 850 C ASP A 51 -11.358 4.165 5.637 1.00 0.00 C ATOM 851 O ASP A 51 -10.681 4.203 6.664 1.00 0.00 O ATOM 852 CB ASP A 51 -13.683 4.525 6.516 1.00 0.00 C ATOM 853 CG ASP A 51 -13.775 5.949 5.991 1.00 0.00 C ATOM 854 OD1 ASP A 51 -12.814 6.722 6.180 1.00 0.00 O ATOM 855 OD2 ASP A 51 -14.819 6.313 5.402 1.00 0.00 O ATOM 0 H ASP A 51 -13.431 2.080 6.925 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.177 3.636 4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.683 4.093 6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.300 4.543 7.536 1.00 0.00 H new ATOM 860 N ILE A 52 -10.915 4.574 4.457 1.00 0.00 N ATOM 861 CA ILE A 52 -9.519 4.916 4.223 1.00 0.00 C ATOM 862 C ILE A 52 -9.117 6.191 4.980 1.00 0.00 C ATOM 863 O ILE A 52 -7.958 6.362 5.349 1.00 0.00 O ATOM 864 CB ILE A 52 -9.267 5.062 2.697 1.00 0.00 C ATOM 865 CG1 ILE A 52 -7.888 4.510 2.294 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.425 6.509 2.247 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.712 5.372 2.695 1.00 0.00 C ATOM 0 H ILE A 52 -11.511 4.678 3.636 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.894 4.110 4.608 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.023 4.465 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.764 3.523 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.869 4.376 1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.242 6.579 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.437 6.850 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.709 7.136 2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.786 4.899 2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.804 6.353 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.697 5.486 3.779 1.00 0.00 H new ATOM 879 N ALA A 53 -10.081 7.071 5.240 1.00 0.00 N ATOM 880 CA ALA A 53 -9.801 8.310 5.957 1.00 0.00 C ATOM 881 C ALA A 53 -9.857 8.063 7.457 1.00 0.00 C ATOM 882 O ALA A 53 -9.206 8.751 8.247 1.00 0.00 O ATOM 883 CB ALA A 53 -10.782 9.397 5.550 1.00 0.00 C ATOM 0 H ALA A 53 -11.056 6.950 4.967 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.799 8.650 5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.557 10.313 6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.696 9.582 4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.797 9.076 5.783 1.00 0.00 H new ATOM 889 N GLU A 54 -10.648 7.067 7.826 1.00 0.00 N ATOM 890 CA GLU A 54 -10.754 6.607 9.200 1.00 0.00 C ATOM 891 C GLU A 54 -9.452 5.936 9.633 1.00 0.00 C ATOM 892 O GLU A 54 -9.102 5.931 10.816 1.00 0.00 O ATOM 893 CB GLU A 54 -11.914 5.615 9.298 1.00 0.00 C ATOM 894 CG GLU A 54 -12.141 5.028 10.677 1.00 0.00 C ATOM 895 CD GLU A 54 -13.074 3.837 10.634 1.00 0.00 C ATOM 896 OE1 GLU A 54 -14.307 4.035 10.646 1.00 0.00 O ATOM 897 OE2 GLU A 54 -12.578 2.696 10.572 1.00 0.00 O ATOM 0 H GLU A 54 -11.239 6.552 7.174 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.938 7.456 9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.828 6.115 8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.735 4.799 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.185 4.726 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.557 5.792 11.333 1.00 0.00 H new ATOM 904 N LEU A 55 -8.743 5.379 8.656 1.00 0.00 N ATOM 905 CA LEU A 55 -7.495 4.668 8.906 1.00 0.00 C ATOM 906 C LEU A 55 -6.462 5.568 9.574 1.00 0.00 C ATOM 907 O LEU A 55 -6.034 6.580 9.015 1.00 0.00 O ATOM 908 CB LEU A 55 -6.923 4.112 7.601 1.00 0.00 C ATOM 909 CG LEU A 55 -7.802 3.081 6.890 1.00 0.00 C ATOM 910 CD1 LEU A 55 -7.139 2.610 5.606 1.00 0.00 C ATOM 911 CD2 LEU A 55 -8.091 1.902 7.805 1.00 0.00 C ATOM 0 H LEU A 55 -9.016 5.408 7.674 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.721 3.844 9.582 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.742 4.943 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.955 3.657 7.812 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.749 3.556 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.778 1.877 5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.985 3.461 4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.177 2.154 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.717 1.180 7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.153 1.427 8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.610 2.252 8.697 1.00 0.00 H new ATOM 923 N ASP A 56 -6.073 5.191 10.778 1.00 0.00 N ATOM 924 CA ASP A 56 -5.057 5.911 11.525 1.00 0.00 C ATOM 925 C ASP A 56 -3.707 5.222 11.341 1.00 0.00 C ATOM 926 O ASP A 56 -3.646 4.114 10.804 1.00 0.00 O ATOM 927 CB ASP A 56 -5.451 5.963 13.009 1.00 0.00 C ATOM 928 CG ASP A 56 -4.380 6.561 13.903 1.00 0.00 C ATOM 929 OD1 ASP A 56 -4.218 7.801 13.904 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.688 5.791 14.604 1.00 0.00 O ATOM 0 H ASP A 56 -6.451 4.379 11.265 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.977 6.933 11.155 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.366 6.546 13.113 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.676 4.953 13.352 1.00 0.00 H new ATOM 935 N THR A 57 -2.637 5.885 11.765 1.00 0.00 N ATOM 936 CA THR A 57 -1.298 5.313 11.734 1.00 0.00 C ATOM 937 C THR A 57 -1.291 3.906 12.336 1.00 0.00 C ATOM 938 O THR A 57 -0.626 3.008 11.826 1.00 0.00 O ATOM 939 CB THR A 57 -0.315 6.204 12.516 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.527 7.578 12.163 1.00 0.00 O ATOM 941 CG2 THR A 57 1.127 5.816 12.220 1.00 0.00 C ATOM 0 H THR A 57 -2.674 6.833 12.139 1.00 0.00 H new ATOM 0 HA THR A 57 -0.985 5.254 10.691 1.00 0.00 H new ATOM 0 HB THR A 57 -0.496 6.064 13.582 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.098 8.144 12.662 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.800 6.461 12.785 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.291 4.778 12.509 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.323 5.931 11.154 1.00 0.00 H new ATOM 949 N GLY A 58 -2.061 3.723 13.406 1.00 0.00 N ATOM 950 CA GLY A 58 -2.150 2.427 14.048 1.00 0.00 C ATOM 951 C GLY A 58 -2.747 1.367 13.143 1.00 0.00 C ATOM 952 O GLY A 58 -2.216 0.257 13.049 1.00 0.00 O ATOM 0 H GLY A 58 -2.626 4.453 13.839 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.155 2.112 14.362 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.757 2.513 14.949 1.00 0.00 H new ATOM 956 N ASP A 59 -3.838 1.720 12.465 1.00 0.00 N ATOM 957 CA ASP A 59 -4.529 0.801 11.558 1.00 0.00 C ATOM 958 C ASP A 59 -3.593 0.321 10.460 1.00 0.00 C ATOM 959 O ASP A 59 -3.627 -0.839 10.060 1.00 0.00 O ATOM 960 CB ASP A 59 -5.741 1.479 10.905 1.00 0.00 C ATOM 961 CG ASP A 59 -6.830 1.853 11.891 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.690 2.895 12.569 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.843 1.128 11.970 1.00 0.00 O ATOM 0 H ASP A 59 -4.266 2.644 12.527 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.864 -0.048 12.153 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.408 2.378 10.386 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.158 0.811 10.151 1.00 0.00 H new ATOM 968 N LEU A 60 -2.758 1.228 9.980 1.00 0.00 N ATOM 969 CA LEU A 60 -1.829 0.927 8.901 1.00 0.00 C ATOM 970 C LEU A 60 -0.615 0.169 9.427 1.00 0.00 C ATOM 971 O LEU A 60 -0.029 -0.659 8.727 1.00 0.00 O ATOM 972 CB LEU A 60 -1.402 2.225 8.220 1.00 0.00 C ATOM 973 CG LEU A 60 -2.559 3.056 7.662 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.067 4.410 7.193 1.00 0.00 C ATOM 975 CD2 LEU A 60 -3.247 2.318 6.522 1.00 0.00 C ATOM 0 H LEU A 60 -2.704 2.187 10.324 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.328 0.289 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.847 2.831 8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.717 1.986 7.407 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.284 3.211 8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.905 4.985 6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.621 4.945 8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.321 4.275 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.067 2.925 6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.529 2.132 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.638 1.368 6.887 1.00 0.00 H new ATOM 987 N LEU A 61 -0.246 0.442 10.671 1.00 0.00 N ATOM 988 CA LEU A 61 0.871 -0.249 11.291 1.00 0.00 C ATOM 989 C LEU A 61 0.541 -1.705 11.555 1.00 0.00 C ATOM 990 O LEU A 61 1.443 -2.515 11.704 1.00 0.00 O ATOM 991 CB LEU A 61 1.300 0.419 12.596 1.00 0.00 C ATOM 992 CG LEU A 61 2.142 1.685 12.445 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.616 2.149 13.811 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.326 1.441 11.513 1.00 0.00 C ATOM 0 H LEU A 61 -0.702 1.133 11.266 1.00 0.00 H new ATOM 0 HA LEU A 61 1.700 -0.193 10.585 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.406 0.665 13.168 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.866 -0.304 13.184 1.00 0.00 H new ATOM 0 HG LEU A 61 1.527 2.468 12.001 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.216 3.052 13.700 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.753 2.362 14.443 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.219 1.367 14.272 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.911 2.356 11.421 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.953 0.649 11.922 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.960 1.144 10.530 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.744 -2.041 11.626 1.00 0.00 N ATOM 1007 CA VAL A 62 -1.141 -3.431 11.829 1.00 0.00 C ATOM 1008 C VAL A 62 -0.569 -4.331 10.721 1.00 0.00 C ATOM 1009 O VAL A 62 0.214 -5.231 11.016 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.676 -3.607 11.924 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -3.032 -5.058 12.203 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -3.259 -2.702 12.998 1.00 0.00 C ATOM 0 H VAL A 62 -1.518 -1.381 11.547 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.723 -3.735 12.789 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.109 -3.322 10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.115 -5.161 12.266 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.654 -5.687 11.397 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.582 -5.368 13.146 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.339 -2.843 13.046 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.817 -2.951 13.963 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.040 -1.662 12.756 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.926 -4.102 9.433 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.356 -4.867 8.320 1.00 0.00 C ATOM 1024 C PRO A 63 1.162 -4.702 8.204 1.00 0.00 C ATOM 1025 O PRO A 63 1.869 -5.657 7.883 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.058 -4.308 7.075 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.636 -3.003 7.495 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.924 -3.125 8.963 1.00 0.00 C ATOM 0 HA PRO A 63 -0.512 -5.937 8.458 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.354 -4.179 6.253 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.836 -4.987 6.725 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.938 -2.188 7.302 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.546 -2.783 6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.818 -2.167 9.473 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.941 -3.472 9.144 1.00 0.00 H new ATOM 1036 N ILE A 64 1.666 -3.497 8.471 1.00 0.00 N ATOM 1037 CA ILE A 64 3.109 -3.251 8.418 1.00 0.00 C ATOM 1038 C ILE A 64 3.844 -4.091 9.469 1.00 0.00 C ATOM 1039 O ILE A 64 4.823 -4.774 9.164 1.00 0.00 O ATOM 1040 CB ILE A 64 3.439 -1.754 8.619 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.823 -0.920 7.491 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.947 -1.541 8.675 1.00 0.00 C ATOM 1043 CD1 ILE A 64 3.005 0.574 7.666 1.00 0.00 C ATOM 0 H ILE A 64 1.105 -2.684 8.724 1.00 0.00 H new ATOM 0 HA ILE A 64 3.450 -3.545 7.425 1.00 0.00 H new ATOM 0 HB ILE A 64 3.011 -1.429 9.567 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.268 -1.222 6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.758 -1.142 7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.160 -0.481 8.817 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.364 -2.109 9.506 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.397 -1.880 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.543 1.097 6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.535 0.891 8.597 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.069 0.810 7.698 1.00 0.00 H new ATOM 1055 N LYS A 65 3.346 -4.048 10.699 1.00 0.00 N ATOM 1056 CA LYS A 65 3.906 -4.827 11.799 1.00 0.00 C ATOM 1057 C LYS A 65 3.752 -6.318 11.522 1.00 0.00 C ATOM 1058 O LYS A 65 4.599 -7.124 11.896 1.00 0.00 O ATOM 1059 CB LYS A 65 3.187 -4.466 13.101 1.00 0.00 C ATOM 1060 CG LYS A 65 3.691 -5.205 14.327 1.00 0.00 C ATOM 1061 CD LYS A 65 2.694 -5.102 15.470 1.00 0.00 C ATOM 1062 CE LYS A 65 1.397 -5.825 15.134 1.00 0.00 C ATOM 1063 NZ LYS A 65 0.384 -5.699 16.216 1.00 0.00 N ATOM 0 H LYS A 65 2.545 -3.474 10.963 1.00 0.00 H new ATOM 0 HA LYS A 65 4.967 -4.595 11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.289 -3.394 13.272 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.123 -4.670 12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.861 -6.253 14.081 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.650 -4.791 14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.128 -5.529 16.374 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.485 -4.053 15.681 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.988 -5.421 14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.607 -6.880 14.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.481 -6.207 15.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.762 -6.107 17.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.162 -4.694 16.369 1.00 0.00 H new ATOM 1077 N LYS A 66 2.662 -6.665 10.859 1.00 0.00 N ATOM 1078 CA LYS A 66 2.367 -8.045 10.502 1.00 0.00 C ATOM 1079 C LYS A 66 3.435 -8.605 9.559 1.00 0.00 C ATOM 1080 O LYS A 66 3.753 -9.793 9.603 1.00 0.00 O ATOM 1081 CB LYS A 66 0.971 -8.098 9.877 1.00 0.00 C ATOM 1082 CG LYS A 66 0.502 -9.478 9.454 1.00 0.00 C ATOM 1083 CD LYS A 66 -1.014 -9.513 9.366 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.511 -10.690 8.547 1.00 0.00 C ATOM 1085 NZ LYS A 66 -1.209 -10.521 7.104 1.00 0.00 N ATOM 0 H LYS A 66 1.954 -5.998 10.552 1.00 0.00 H new ATOM 0 HA LYS A 66 2.381 -8.672 11.394 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.255 -7.692 10.592 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.956 -7.444 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.936 -9.737 8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.849 -10.223 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.434 -9.568 10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.372 -8.585 8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.048 -11.608 8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.587 -10.800 8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.809 -11.162 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.398 -9.538 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.208 -10.744 6.930 1.00 0.00 H new ATOM 1099 N ILE A 67 4.006 -7.742 8.727 1.00 0.00 N ATOM 1100 CA ILE A 67 5.093 -8.142 7.843 1.00 0.00 C ATOM 1101 C ILE A 67 6.424 -8.152 8.602 1.00 0.00 C ATOM 1102 O ILE A 67 7.274 -9.018 8.379 1.00 0.00 O ATOM 1103 CB ILE A 67 5.198 -7.216 6.614 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.871 -7.203 5.853 1.00 0.00 C ATOM 1105 CG2 ILE A 67 6.326 -7.675 5.700 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.845 -6.235 4.690 1.00 0.00 C ATOM 0 H ILE A 67 3.735 -6.762 8.646 1.00 0.00 H new ATOM 0 HA ILE A 67 4.872 -9.149 7.489 1.00 0.00 H new ATOM 0 HB ILE A 67 5.418 -6.204 6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.665 -8.207 5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.068 -6.947 6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.388 -7.012 4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.269 -7.650 6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.129 -8.693 5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.873 -6.282 4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.019 -5.223 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.625 -6.502 3.977 1.00 0.00 H new ATOM 1118 N GLU A 68 6.592 -7.201 9.514 1.00 0.00 N ATOM 1119 CA GLU A 68 7.777 -7.162 10.370 1.00 0.00 C ATOM 1120 C GLU A 68 7.831 -8.433 11.214 1.00 0.00 C ATOM 1121 O GLU A 68 8.881 -9.066 11.353 1.00 0.00 O ATOM 1122 CB GLU A 68 7.742 -5.909 11.258 1.00 0.00 C ATOM 1123 CG GLU A 68 9.026 -5.646 12.038 1.00 0.00 C ATOM 1124 CD GLU A 68 8.996 -6.190 13.455 1.00 0.00 C ATOM 1125 OE1 GLU A 68 8.446 -5.505 14.345 1.00 0.00 O ATOM 1126 OE2 GLU A 68 9.535 -7.291 13.689 1.00 0.00 O ATOM 0 H GLU A 68 5.925 -6.447 9.681 1.00 0.00 H new ATOM 0 HA GLU A 68 8.676 -7.113 9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.529 -5.042 10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.917 -6.003 11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.864 -6.093 11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.207 -4.572 12.073 1.00 0.00 H new ATOM 1133 N LYS A 69 6.675 -8.810 11.743 1.00 0.00 N ATOM 1134 CA LYS A 69 6.514 -10.059 12.473 1.00 0.00 C ATOM 1135 C LYS A 69 6.812 -11.252 11.567 1.00 0.00 C ATOM 1136 O LYS A 69 7.354 -12.263 12.017 1.00 0.00 O ATOM 1137 CB LYS A 69 5.089 -10.148 13.031 1.00 0.00 C ATOM 1138 CG LYS A 69 4.710 -11.521 13.557 1.00 0.00 C ATOM 1139 CD LYS A 69 3.316 -11.521 14.159 1.00 0.00 C ATOM 1140 CE LYS A 69 2.827 -12.936 14.413 1.00 0.00 C ATOM 1141 NZ LYS A 69 2.598 -13.674 13.143 1.00 0.00 N ATOM 0 H LYS A 69 5.821 -8.257 11.678 1.00 0.00 H new ATOM 0 HA LYS A 69 7.222 -10.080 13.302 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.980 -9.421 13.835 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.386 -9.865 12.248 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.757 -12.248 12.746 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.433 -11.836 14.310 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.321 -10.962 15.095 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.627 -11.011 13.486 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.559 -13.471 15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.901 -12.904 14.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.964 -14.480 13.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.163 -13.037 12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.506 -14.022 12.775 1.00 0.00 H new ATOM 1155 N LEU A 70 6.492 -11.110 10.284 1.00 0.00 N ATOM 1156 CA LEU A 70 6.717 -12.172 9.312 1.00 0.00 C ATOM 1157 C LEU A 70 8.216 -12.414 9.140 1.00 0.00 C ATOM 1158 O LEU A 70 8.650 -13.528 8.850 1.00 0.00 O ATOM 1159 CB LEU A 70 6.081 -11.796 7.969 1.00 0.00 C ATOM 1160 CG LEU A 70 6.028 -12.913 6.926 1.00 0.00 C ATOM 1161 CD1 LEU A 70 5.073 -14.009 7.371 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.612 -12.355 5.575 1.00 0.00 C ATOM 0 H LEU A 70 6.074 -10.265 9.893 1.00 0.00 H new ATOM 0 HA LEU A 70 6.254 -13.090 9.674 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.065 -11.448 8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.634 -10.956 7.548 1.00 0.00 H new ATOM 0 HG LEU A 70 7.024 -13.345 6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.047 -14.796 6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.413 -14.425 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.074 -13.592 7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.579 -13.162 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.625 -11.899 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.333 -11.603 5.254 1.00 0.00 H new ATOM 1174 N GLY A 71 9.003 -11.363 9.345 1.00 0.00 N ATOM 1175 CA GLY A 71 10.443 -11.489 9.272 1.00 0.00 C ATOM 1176 C GLY A 71 11.023 -10.855 8.027 1.00 0.00 C ATOM 1177 O GLY A 71 12.147 -11.163 7.634 1.00 0.00 O ATOM 0 H GLY A 71 8.666 -10.425 9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.889 -11.026 10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.713 -12.545 9.296 1.00 0.00 H new ATOM 1181 N TYR A 72 10.262 -9.967 7.405 1.00 0.00 N ATOM 1182 CA TYR A 72 10.720 -9.303 6.197 1.00 0.00 C ATOM 1183 C TYR A 72 10.630 -7.793 6.339 1.00 0.00 C ATOM 1184 O TYR A 72 9.609 -7.187 6.012 1.00 0.00 O ATOM 1185 CB TYR A 72 9.914 -9.763 4.981 1.00 0.00 C ATOM 1186 CG TYR A 72 10.104 -11.223 4.650 1.00 0.00 C ATOM 1187 CD1 TYR A 72 11.162 -11.639 3.852 1.00 0.00 C ATOM 1188 CD2 TYR A 72 9.230 -12.183 5.137 1.00 0.00 C ATOM 1189 CE1 TYR A 72 11.340 -12.973 3.549 1.00 0.00 C ATOM 1190 CE2 TYR A 72 9.403 -13.519 4.840 1.00 0.00 C ATOM 1191 CZ TYR A 72 10.459 -13.908 4.046 1.00 0.00 C ATOM 1192 OH TYR A 72 10.635 -15.238 3.747 1.00 0.00 O ATOM 0 H TYR A 72 9.330 -9.692 7.715 1.00 0.00 H new ATOM 0 HA TYR A 72 11.764 -9.576 6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.856 -9.575 5.164 1.00 0.00 H new ATOM 0 HB3 TYR A 72 10.200 -9.163 4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.855 -10.908 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.401 -11.880 5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.166 -13.283 2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.715 -14.255 5.228 1.00 0.00 H new ATOM 0 HH TYR A 72 9.929 -15.766 4.176 1.00 0.00 H new ATOM 1202 N LEU A 73 11.699 -7.195 6.840 1.00 0.00 N ATOM 1203 CA LEU A 73 11.764 -5.750 6.993 1.00 0.00 C ATOM 1204 C LEU A 73 11.786 -5.080 5.631 1.00 0.00 C ATOM 1205 O LEU A 73 11.146 -4.052 5.423 1.00 0.00 O ATOM 1206 CB LEU A 73 13.004 -5.348 7.795 1.00 0.00 C ATOM 1207 CG LEU A 73 13.008 -5.807 9.253 1.00 0.00 C ATOM 1208 CD1 LEU A 73 14.307 -5.411 9.937 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.816 -5.219 9.991 1.00 0.00 C ATOM 0 H LEU A 73 12.536 -7.690 7.149 1.00 0.00 H new ATOM 0 HA LEU A 73 10.878 -5.421 7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.886 -5.754 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.097 -4.262 7.771 1.00 0.00 H new ATOM 0 HG LEU A 73 12.930 -6.894 9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.289 -5.747 10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.147 -5.875 9.419 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.417 -4.327 9.909 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.830 -5.553 11.028 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.869 -4.131 9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.893 -5.551 9.515 1.00 0.00 H new ATOM 1221 N GLU A 74 12.523 -5.682 4.704 1.00 0.00 N ATOM 1222 CA GLU A 74 12.609 -5.184 3.339 1.00 0.00 C ATOM 1223 C GLU A 74 11.224 -5.088 2.718 1.00 0.00 C ATOM 1224 O GLU A 74 10.849 -4.052 2.175 1.00 0.00 O ATOM 1225 CB GLU A 74 13.495 -6.090 2.475 1.00 0.00 C ATOM 1226 CG GLU A 74 14.924 -6.230 2.976 1.00 0.00 C ATOM 1227 CD GLU A 74 15.050 -7.213 4.120 1.00 0.00 C ATOM 1228 OE1 GLU A 74 15.119 -8.429 3.859 1.00 0.00 O ATOM 1229 OE2 GLU A 74 15.084 -6.775 5.288 1.00 0.00 O ATOM 0 H GLU A 74 13.074 -6.523 4.877 1.00 0.00 H new ATOM 0 HA GLU A 74 13.057 -4.191 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.042 -7.080 2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.516 -5.696 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.563 -6.553 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.288 -5.255 3.299 1.00 0.00 H new ATOM 1236 N ILE A 75 10.461 -6.169 2.819 1.00 0.00 N ATOM 1237 CA ILE A 75 9.117 -6.204 2.265 1.00 0.00 C ATOM 1238 C ILE A 75 8.204 -5.226 2.997 1.00 0.00 C ATOM 1239 O ILE A 75 7.397 -4.544 2.371 1.00 0.00 O ATOM 1240 CB ILE A 75 8.522 -7.629 2.306 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.346 -8.555 1.404 1.00 0.00 C ATOM 1242 CG2 ILE A 75 7.057 -7.625 1.885 1.00 0.00 C ATOM 1243 CD1 ILE A 75 8.775 -9.949 1.265 1.00 0.00 C ATOM 0 H ILE A 75 10.751 -7.032 3.279 1.00 0.00 H new ATOM 0 HA ILE A 75 9.187 -5.901 1.220 1.00 0.00 H new ATOM 0 HB ILE A 75 8.566 -7.998 3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.424 -8.105 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.358 -8.626 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.665 -8.641 1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.486 -6.990 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.972 -7.241 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.416 -10.541 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.723 -10.420 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.774 -9.891 0.837 1.00 0.00 H new ATOM 1255 N ALA A 76 8.356 -5.141 4.314 1.00 0.00 N ATOM 1256 CA ALA A 76 7.594 -4.183 5.108 1.00 0.00 C ATOM 1257 C ALA A 76 7.845 -2.762 4.617 1.00 0.00 C ATOM 1258 O ALA A 76 6.910 -1.975 4.452 1.00 0.00 O ATOM 1259 CB ALA A 76 7.949 -4.308 6.584 1.00 0.00 C ATOM 0 H ALA A 76 8.998 -5.722 4.853 1.00 0.00 H new ATOM 0 HA ALA A 76 6.534 -4.406 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.371 -3.585 7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.718 -5.316 6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.013 -4.112 6.720 1.00 0.00 H new ATOM 1265 N MET A 77 9.113 -2.444 4.369 1.00 0.00 N ATOM 1266 CA MET A 77 9.485 -1.139 3.832 1.00 0.00 C ATOM 1267 C MET A 77 8.896 -0.944 2.439 1.00 0.00 C ATOM 1268 O MET A 77 8.329 0.106 2.141 1.00 0.00 O ATOM 1269 CB MET A 77 11.009 -0.982 3.773 1.00 0.00 C ATOM 1270 CG MET A 77 11.688 -1.026 5.133 1.00 0.00 C ATOM 1271 SD MET A 77 13.443 -0.615 5.054 1.00 0.00 S ATOM 1272 CE MET A 77 14.049 -1.911 3.976 1.00 0.00 C ATOM 0 H MET A 77 9.900 -3.072 4.531 1.00 0.00 H new ATOM 0 HA MET A 77 9.081 -0.379 4.501 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.422 -1.773 3.147 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.248 -0.035 3.289 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.187 -0.331 5.806 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.572 -2.022 5.560 1.00 0.00 H new ATOM 0 HE1 MET A 77 15.099 -1.731 3.745 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.947 -2.875 4.473 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.470 -1.916 3.052 1.00 0.00 H new ATOM 1282 N ARG A 78 9.027 -1.967 1.600 1.00 0.00 N ATOM 1283 CA ARG A 78 8.524 -1.912 0.230 1.00 0.00 C ATOM 1284 C ARG A 78 7.017 -1.694 0.197 1.00 0.00 C ATOM 1285 O ARG A 78 6.534 -0.782 -0.473 1.00 0.00 O ATOM 1286 CB ARG A 78 8.870 -3.193 -0.531 1.00 0.00 C ATOM 1287 CG ARG A 78 10.356 -3.387 -0.766 1.00 0.00 C ATOM 1288 CD ARG A 78 10.620 -4.632 -1.590 1.00 0.00 C ATOM 1289 NE ARG A 78 12.045 -4.927 -1.708 1.00 0.00 N ATOM 1290 CZ ARG A 78 12.611 -5.426 -2.802 1.00 0.00 C ATOM 1291 NH1 ARG A 78 11.894 -5.589 -3.906 1.00 0.00 N ATOM 1292 NH2 ARG A 78 13.896 -5.742 -2.798 1.00 0.00 N ATOM 0 H ARG A 78 9.479 -2.848 1.846 1.00 0.00 H new ATOM 0 HA ARG A 78 9.009 -1.065 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.485 -4.049 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.359 -3.181 -1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.763 -2.515 -1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.872 -3.464 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.112 -5.482 -1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.194 -4.503 -2.585 1.00 0.00 H new ATOM 0 HE ARG A 78 12.642 -4.739 -0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.907 -5.331 -3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.330 -5.972 -4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.453 -5.603 -1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.330 -6.125 -3.638 1.00 0.00 H new ATOM 1306 N VAL A 79 6.276 -2.528 0.920 1.00 0.00 N ATOM 1307 CA VAL A 79 4.821 -2.437 0.940 1.00 0.00 C ATOM 1308 C VAL A 79 4.376 -1.082 1.478 1.00 0.00 C ATOM 1309 O VAL A 79 3.456 -0.464 0.943 1.00 0.00 O ATOM 1310 CB VAL A 79 4.187 -3.571 1.779 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.680 -3.395 1.889 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.514 -4.924 1.168 1.00 0.00 C ATOM 0 H VAL A 79 6.660 -3.274 1.500 1.00 0.00 H new ATOM 0 HA VAL A 79 4.476 -2.546 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 79 4.608 -3.524 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.261 -4.207 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.459 -2.442 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.238 -3.410 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.062 -5.713 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.120 -4.970 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.595 -5.061 1.144 1.00 0.00 H new ATOM 1322 N LYS A 80 5.054 -0.610 2.517 1.00 0.00 N ATOM 1323 CA LYS A 80 4.761 0.698 3.080 1.00 0.00 C ATOM 1324 C LYS A 80 5.098 1.798 2.071 1.00 0.00 C ATOM 1325 O LYS A 80 4.417 2.815 2.011 1.00 0.00 O ATOM 1326 CB LYS A 80 5.522 0.896 4.398 1.00 0.00 C ATOM 1327 CG LYS A 80 5.304 2.254 5.054 1.00 0.00 C ATOM 1328 CD LYS A 80 6.477 3.187 4.801 1.00 0.00 C ATOM 1329 CE LYS A 80 7.749 2.656 5.440 1.00 0.00 C ATOM 1330 NZ LYS A 80 8.948 3.420 5.008 1.00 0.00 N ATOM 0 H LYS A 80 5.808 -1.113 2.984 1.00 0.00 H new ATOM 0 HA LYS A 80 3.695 0.758 3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.221 0.116 5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.588 0.763 4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.389 2.704 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.166 2.123 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.627 3.304 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.251 4.176 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.658 2.706 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.875 1.605 5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.807 2.928 5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.957 3.495 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.921 4.373 5.423 1.00 0.00 H new ATOM 1344 N GLN A 81 6.138 1.580 1.272 1.00 0.00 N ATOM 1345 CA GLN A 81 6.501 2.516 0.209 1.00 0.00 C ATOM 1346 C GLN A 81 5.396 2.581 -0.846 1.00 0.00 C ATOM 1347 O GLN A 81 4.989 3.670 -1.260 1.00 0.00 O ATOM 1348 CB GLN A 81 7.832 2.111 -0.438 1.00 0.00 C ATOM 1349 CG GLN A 81 8.211 2.939 -1.660 1.00 0.00 C ATOM 1350 CD GLN A 81 8.437 4.410 -1.349 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.551 4.825 -1.032 1.00 0.00 O ATOM 1352 NE2 GLN A 81 7.385 5.208 -1.446 1.00 0.00 N ATOM 0 H GLN A 81 6.746 0.763 1.339 1.00 0.00 H new ATOM 0 HA GLN A 81 6.620 3.505 0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.625 2.197 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.778 1.061 -0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.118 2.526 -2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.423 2.851 -2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.478 4.826 -1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.482 6.205 -1.255 1.00 0.00 H new ATOM 1361 N TYR A 82 4.921 1.417 -1.281 1.00 0.00 N ATOM 1362 CA TYR A 82 3.803 1.352 -2.217 1.00 0.00 C ATOM 1363 C TYR A 82 2.589 2.039 -1.610 1.00 0.00 C ATOM 1364 O TYR A 82 1.924 2.847 -2.260 1.00 0.00 O ATOM 1365 CB TYR A 82 3.444 -0.101 -2.557 1.00 0.00 C ATOM 1366 CG TYR A 82 4.611 -0.947 -3.016 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.543 -0.461 -3.924 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.778 -2.240 -2.535 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.609 -1.239 -4.338 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.840 -3.023 -2.943 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.752 -2.519 -3.843 1.00 0.00 C ATOM 1372 OH TYR A 82 7.811 -3.298 -4.255 1.00 0.00 O ATOM 0 H TYR A 82 5.292 0.509 -1.001 1.00 0.00 H new ATOM 0 HA TYR A 82 4.101 1.857 -3.136 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.998 -0.567 -1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.683 -0.100 -3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.434 0.541 -4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.065 -2.640 -1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.325 -0.847 -5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.955 -4.026 -2.558 1.00 0.00 H new ATOM 0 HH TYR A 82 8.386 -2.778 -4.855 1.00 0.00 H new ATOM 1382 N ALA A 83 2.324 1.720 -0.348 1.00 0.00 N ATOM 1383 CA ALA A 83 1.217 2.312 0.387 1.00 0.00 C ATOM 1384 C ALA A 83 1.363 3.825 0.474 1.00 0.00 C ATOM 1385 O ALA A 83 0.393 4.553 0.306 1.00 0.00 O ATOM 1386 CB ALA A 83 1.123 1.710 1.779 1.00 0.00 C ATOM 0 H ALA A 83 2.869 1.047 0.191 1.00 0.00 H new ATOM 0 HA ALA A 83 0.297 2.091 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.290 2.163 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.962 0.635 1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.050 1.899 2.321 1.00 0.00 H new ATOM 1392 N THR A 84 2.581 4.291 0.727 1.00 0.00 N ATOM 1393 CA THR A 84 2.861 5.719 0.809 1.00 0.00 C ATOM 1394 C THR A 84 2.471 6.427 -0.490 1.00 0.00 C ATOM 1395 O THR A 84 1.907 7.523 -0.466 1.00 0.00 O ATOM 1396 CB THR A 84 4.353 5.974 1.120 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.690 5.389 2.385 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.677 7.459 1.154 1.00 0.00 C ATOM 0 H THR A 84 3.395 3.696 0.880 1.00 0.00 H new ATOM 0 HA THR A 84 2.261 6.126 1.623 1.00 0.00 H new ATOM 0 HB THR A 84 4.939 5.516 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.594 4.415 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.735 7.595 1.376 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.449 7.903 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.079 7.944 1.926 1.00 0.00 H new ATOM 1406 N ALA A 85 2.747 5.785 -1.618 1.00 0.00 N ATOM 1407 CA ALA A 85 2.373 6.333 -2.911 1.00 0.00 C ATOM 1408 C ALA A 85 0.854 6.374 -3.053 1.00 0.00 C ATOM 1409 O ALA A 85 0.293 7.346 -3.564 1.00 0.00 O ATOM 1410 CB ALA A 85 3.000 5.517 -4.029 1.00 0.00 C ATOM 0 H ALA A 85 3.228 4.886 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 85 2.747 7.354 -2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.712 5.938 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.085 5.541 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.653 4.486 -3.965 1.00 0.00 H new ATOM 1416 N ILE A 86 0.193 5.319 -2.582 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.266 5.252 -2.596 1.00 0.00 C ATOM 1418 C ILE A 86 -1.860 6.317 -1.678 1.00 0.00 C ATOM 1419 O ILE A 86 -2.825 6.991 -2.032 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.780 3.861 -2.153 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.183 2.764 -3.037 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.305 3.813 -2.201 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.574 1.363 -2.620 1.00 0.00 C ATOM 0 H ILE A 86 0.647 4.496 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.584 5.430 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.462 3.688 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.500 2.928 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.096 2.848 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.648 2.827 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.714 4.570 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.643 4.007 -3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.113 0.641 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.233 1.178 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.658 1.259 -2.664 1.00 0.00 H new ATOM 1435 N MET A 87 -1.266 6.469 -0.500 1.00 0.00 N ATOM 1436 CA MET A 87 -1.727 7.452 0.476 1.00 0.00 C ATOM 1437 C MET A 87 -1.558 8.862 -0.069 1.00 0.00 C ATOM 1438 O MET A 87 -2.418 9.717 0.128 1.00 0.00 O ATOM 1439 CB MET A 87 -0.963 7.313 1.794 1.00 0.00 C ATOM 1440 CG MET A 87 -1.140 5.965 2.466 1.00 0.00 C ATOM 1441 SD MET A 87 -0.131 5.788 3.949 1.00 0.00 S ATOM 1442 CE MET A 87 -0.343 4.040 4.268 1.00 0.00 C ATOM 0 H MET A 87 -0.461 5.922 -0.196 1.00 0.00 H new ATOM 0 HA MET A 87 -2.784 7.266 0.665 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.098 7.479 1.607 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.292 8.095 2.478 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.189 5.829 2.727 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.883 5.175 1.760 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.084 3.793 5.240 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.405 3.796 4.266 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.163 3.465 3.493 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.454 9.101 -0.768 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.212 10.408 -1.360 1.00 0.00 C ATOM 1454 C ARG A 88 -1.245 10.672 -2.447 1.00 0.00 C ATOM 1455 O ARG A 88 -1.744 11.788 -2.590 1.00 0.00 O ATOM 1456 CB ARG A 88 1.204 10.500 -1.935 1.00 0.00 C ATOM 1457 CG ARG A 88 1.620 11.923 -2.274 1.00 0.00 C ATOM 1458 CD ARG A 88 3.019 11.987 -2.869 1.00 0.00 C ATOM 1459 NE ARG A 88 3.083 11.382 -4.200 1.00 0.00 N ATOM 1460 CZ ARG A 88 2.955 12.070 -5.335 1.00 0.00 C ATOM 1461 NH1 ARG A 88 2.725 13.377 -5.304 1.00 0.00 N ATOM 1462 NH2 ARG A 88 3.067 11.456 -6.508 1.00 0.00 N ATOM 0 H ARG A 88 0.280 8.413 -0.937 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.303 11.166 -0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.909 10.083 -1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.265 9.886 -2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.907 12.350 -2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.582 12.535 -1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.339 13.027 -2.929 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.717 11.476 -2.206 1.00 0.00 H new ATOM 0 HE ARG A 88 3.234 10.375 -4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.645 13.860 -4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.628 13.899 -6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.252 10.453 -6.543 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.968 11.987 -7.373 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.574 9.624 -3.196 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.614 9.692 -4.214 1.00 0.00 C ATOM 1478 C TYR A 89 -3.963 9.981 -3.557 1.00 0.00 C ATOM 1479 O TYR A 89 -4.765 10.761 -4.071 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.664 8.372 -4.991 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.600 8.382 -6.181 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.358 9.209 -7.269 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -4.712 7.547 -6.224 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.199 9.212 -8.364 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.559 7.546 -7.317 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.296 8.380 -8.385 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.132 8.378 -9.482 1.00 0.00 O ATOM 0 H TYR A 89 -1.130 8.710 -3.115 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.388 10.499 -4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.659 8.130 -5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.968 7.576 -4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.497 9.861 -7.259 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.917 6.890 -5.392 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.997 9.864 -9.201 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.422 6.896 -7.335 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.858 7.735 -9.339 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.188 9.358 -2.406 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.391 9.593 -1.619 1.00 0.00 C ATOM 1499 C ALA A 90 -5.474 11.050 -1.178 1.00 0.00 C ATOM 1500 O ALA A 90 -6.549 11.648 -1.180 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.419 8.668 -0.411 1.00 0.00 C ATOM 0 H ALA A 90 -3.546 8.680 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.258 9.378 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.323 8.854 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.410 7.631 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.544 8.856 0.211 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.333 11.619 -0.795 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.267 13.032 -0.439 1.00 0.00 C ATOM 1509 C VAL A 91 -4.665 13.893 -1.634 1.00 0.00 C ATOM 1510 O VAL A 91 -5.399 14.870 -1.487 1.00 0.00 O ATOM 1511 CB VAL A 91 -2.853 13.442 0.043 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -2.784 14.937 0.326 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.458 12.655 1.282 1.00 0.00 C ATOM 0 H VAL A 91 -3.444 11.124 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.964 13.192 0.384 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.149 13.211 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.781 15.198 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.017 15.491 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.505 15.194 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.462 12.959 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.173 12.851 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.456 11.590 1.051 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.207 13.495 -2.818 1.00 0.00 N ATOM 1524 CA GLN A 92 -4.492 14.235 -4.043 1.00 0.00 C ATOM 1525 C GLN A 92 -5.992 14.253 -4.326 1.00 0.00 C ATOM 1526 O GLN A 92 -6.543 15.271 -4.743 1.00 0.00 O ATOM 1527 CB GLN A 92 -3.761 13.620 -5.242 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.255 13.469 -5.059 1.00 0.00 C ATOM 1529 CD GLN A 92 -1.571 14.759 -4.651 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -1.187 15.565 -5.497 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -1.386 14.947 -3.352 1.00 0.00 N ATOM 0 H GLN A 92 -3.635 12.661 -2.955 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.139 15.256 -3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.189 12.639 -5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.947 14.239 -6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.062 12.708 -4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.816 13.111 -5.991 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.720 14.253 -2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.909 15.786 -3.021 1.00 0.00 H new ATOM 1540 N GLN A 93 -6.651 13.123 -4.081 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.085 13.005 -4.330 1.00 0.00 C ATOM 1542 C GLN A 93 -8.897 13.533 -3.149 1.00 0.00 C ATOM 1543 O GLN A 93 -10.122 13.387 -3.116 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.477 11.553 -4.617 1.00 0.00 C ATOM 1545 CG GLN A 93 -7.766 10.950 -5.814 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.459 9.710 -6.343 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -9.104 8.974 -5.599 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -8.335 9.475 -7.637 1.00 0.00 N ATOM 0 H GLN A 93 -6.216 12.278 -3.711 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.311 13.611 -5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.262 10.948 -3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.553 11.503 -4.783 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.706 11.694 -6.608 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.743 10.698 -5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.791 10.110 -8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.783 8.658 -8.052 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.206 14.152 -2.189 1.00 0.00 N ATOM 1558 CA LYS A 94 -8.846 14.750 -1.016 1.00 0.00 C ATOM 1559 C LYS A 94 -9.533 13.686 -0.165 1.00 0.00 C ATOM 1560 O LYS A 94 -10.585 13.926 0.428 1.00 0.00 O ATOM 1561 CB LYS A 94 -9.852 15.822 -1.447 1.00 0.00 C ATOM 1562 CG LYS A 94 -9.224 16.946 -2.259 1.00 0.00 C ATOM 1563 CD LYS A 94 -10.236 18.020 -2.618 1.00 0.00 C ATOM 1564 CE LYS A 94 -9.587 19.160 -3.385 1.00 0.00 C ATOM 1565 NZ LYS A 94 -10.555 20.248 -3.694 1.00 0.00 N ATOM 0 H LYS A 94 -7.191 14.252 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.072 15.219 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.641 15.354 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.325 16.244 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.408 17.392 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.791 16.536 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.034 17.584 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.696 18.407 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.761 19.565 -2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.164 18.777 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.071 21.005 -4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.331 19.868 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.940 20.632 -2.808 1.00 0.00 H new ATOM 1579 N MET A 95 -8.921 12.515 -0.103 1.00 0.00 N ATOM 1580 CA MET A 95 -9.469 11.398 0.652 1.00 0.00 C ATOM 1581 C MET A 95 -9.022 11.445 2.107 1.00 0.00 C ATOM 1582 O MET A 95 -9.849 11.469 3.016 1.00 0.00 O ATOM 1583 CB MET A 95 -9.028 10.079 0.024 1.00 0.00 C ATOM 1584 CG MET A 95 -9.623 9.825 -1.349 1.00 0.00 C ATOM 1585 SD MET A 95 -8.725 8.559 -2.262 1.00 0.00 S ATOM 1586 CE MET A 95 -8.663 7.241 -1.054 1.00 0.00 C ATOM 0 H MET A 95 -8.037 12.312 -0.570 1.00 0.00 H new ATOM 0 HA MET A 95 -10.556 11.473 0.624 1.00 0.00 H new ATOM 0 HB2 MET A 95 -7.941 10.070 -0.054 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.307 9.260 0.688 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.664 9.521 -1.240 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.620 10.753 -1.921 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.215 6.355 -1.504 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.063 7.557 -0.201 1.00 0.00 H new ATOM 0 HE3 MET A 95 -9.674 7.006 -0.720 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.714 11.454 2.325 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.172 11.444 3.678 1.00 0.00 C ATOM 1598 C ILE A 96 -6.525 12.778 4.016 1.00 0.00 C ATOM 1599 O ILE A 96 -6.391 13.650 3.155 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.134 10.317 3.881 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -4.936 10.503 2.945 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.780 8.959 3.659 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.809 9.525 3.203 1.00 0.00 C ATOM 0 H ILE A 96 -7.011 11.468 1.586 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.015 11.264 4.346 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.771 10.366 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.271 10.395 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.556 11.519 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.037 8.175 3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.596 8.824 4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.171 8.904 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.995 9.715 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.447 9.648 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.173 8.507 3.068 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.127 12.922 5.271 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.479 14.137 5.740 1.00 0.00 C ATOM 1617 C ARG A 97 -4.051 14.188 5.220 1.00 0.00 C ATOM 1618 O ARG A 97 -3.700 15.023 4.387 1.00 0.00 O ATOM 1619 CB ARG A 97 -5.458 14.163 7.267 1.00 0.00 C ATOM 1620 CG ARG A 97 -6.815 13.951 7.910 1.00 0.00 C ATOM 1621 CD ARG A 97 -6.670 13.646 9.389 1.00 0.00 C ATOM 1622 NE ARG A 97 -7.954 13.371 10.028 1.00 0.00 N ATOM 1623 CZ ARG A 97 -8.479 12.154 10.155 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -7.874 11.100 9.616 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -9.619 11.990 10.812 1.00 0.00 N ATOM 0 H ARG A 97 -6.243 12.206 5.988 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.036 14.998 5.372 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.775 13.392 7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.057 15.121 7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.429 14.842 7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.333 13.130 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.012 12.787 9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.193 14.490 9.886 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.482 14.161 10.400 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.002 11.221 9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.282 10.171 9.717 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.093 12.796 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.022 11.058 10.910 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.243 13.267 5.715 1.00 0.00 N ATOM 1640 CA PHE A 98 -1.853 13.154 5.324 1.00 0.00 C ATOM 1641 C PHE A 98 -1.399 11.727 5.578 1.00 0.00 C ATOM 1642 O PHE A 98 -2.016 11.022 6.373 1.00 0.00 O ATOM 1643 CB PHE A 98 -0.988 14.151 6.110 1.00 0.00 C ATOM 1644 CG PHE A 98 0.450 14.192 5.669 1.00 0.00 C ATOM 1645 CD1 PHE A 98 0.799 14.755 4.453 1.00 0.00 C ATOM 1646 CD2 PHE A 98 1.450 13.662 6.468 1.00 0.00 C ATOM 1647 CE1 PHE A 98 2.116 14.788 4.042 1.00 0.00 C ATOM 1648 CE2 PHE A 98 2.770 13.691 6.063 1.00 0.00 C ATOM 1649 CZ PHE A 98 3.103 14.254 4.847 1.00 0.00 C ATOM 0 H PHE A 98 -3.536 12.574 6.403 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.744 13.391 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.417 15.148 6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.026 13.894 7.169 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.031 15.173 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.194 13.220 7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.375 15.231 3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.540 13.274 6.696 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.134 14.277 4.526 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.343 11.307 4.895 1.00 0.00 N ATOM 1660 CA ASN A 99 0.171 9.942 5.013 1.00 0.00 C ATOM 1661 C ASN A 99 0.585 9.636 6.450 1.00 0.00 C ATOM 1662 O ASN A 99 1.579 10.171 6.939 1.00 0.00 O ATOM 1663 CB ASN A 99 1.385 9.741 4.097 1.00 0.00 C ATOM 1664 CG ASN A 99 1.099 10.014 2.633 1.00 0.00 C ATOM 1665 OD1 ASN A 99 0.267 10.847 2.284 1.00 0.00 O ATOM 1666 ND2 ASN A 99 1.803 9.315 1.759 1.00 0.00 N ATOM 0 H ASN A 99 0.181 11.895 4.247 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.630 9.265 4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.191 10.396 4.428 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.743 8.717 4.203 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.663 9.460 0.759 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.486 8.631 2.085 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.167 8.772 7.152 1.00 0.00 N ATOM 1674 CA PRO A 100 0.143 8.399 8.537 1.00 0.00 C ATOM 1675 C PRO A 100 1.444 7.615 8.627 1.00 0.00 C ATOM 1676 O PRO A 100 2.214 7.764 9.575 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.043 7.521 8.957 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.106 7.789 7.946 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.383 8.102 6.669 1.00 0.00 C ATOM 0 HA PRO A 100 0.278 9.271 9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.768 6.466 8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.383 7.773 9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.758 6.924 7.825 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.737 8.623 8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.152 7.201 6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.971 8.748 6.017 1.00 0.00 H new ATOM 1687 N ALA A 101 1.698 6.797 7.612 1.00 0.00 N ATOM 1688 CA ALA A 101 2.912 5.992 7.559 1.00 0.00 C ATOM 1689 C ALA A 101 4.132 6.863 7.283 1.00 0.00 C ATOM 1690 O ALA A 101 5.270 6.433 7.459 1.00 0.00 O ATOM 1691 CB ALA A 101 2.781 4.909 6.498 1.00 0.00 C ATOM 0 H ALA A 101 1.077 6.674 6.812 1.00 0.00 H new ATOM 0 HA ALA A 101 3.049 5.517 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.695 4.315 6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.936 4.264 6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.618 5.371 5.524 1.00 0.00 H new ATOM 1697 N TYR A 102 3.884 8.098 6.865 1.00 0.00 N ATOM 1698 CA TYR A 102 4.959 9.028 6.557 1.00 0.00 C ATOM 1699 C TYR A 102 5.452 9.687 7.841 1.00 0.00 C ATOM 1700 O TYR A 102 6.627 10.030 7.969 1.00 0.00 O ATOM 1701 CB TYR A 102 4.470 10.083 5.564 1.00 0.00 C ATOM 1702 CG TYR A 102 5.576 10.751 4.781 1.00 0.00 C ATOM 1703 CD1 TYR A 102 6.127 10.130 3.669 1.00 0.00 C ATOM 1704 CD2 TYR A 102 6.065 11.997 5.148 1.00 0.00 C ATOM 1705 CE1 TYR A 102 7.133 10.731 2.944 1.00 0.00 C ATOM 1706 CE2 TYR A 102 7.074 12.605 4.426 1.00 0.00 C ATOM 1707 CZ TYR A 102 7.604 11.968 3.325 1.00 0.00 C ATOM 1708 OH TYR A 102 8.607 12.568 2.602 1.00 0.00 O ATOM 0 H TYR A 102 2.947 8.477 6.732 1.00 0.00 H new ATOM 0 HA TYR A 102 5.787 8.485 6.102 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.776 9.615 4.866 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.911 10.846 6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.761 9.160 3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.651 12.498 6.010 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.550 10.234 2.081 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.445 13.575 4.723 1.00 0.00 H new ATOM 0 HH TYR A 102 8.824 13.436 3.001 1.00 0.00 H new ATOM 1718 N ASP A 103 4.541 9.851 8.797 1.00 0.00 N ATOM 1719 CA ASP A 103 4.888 10.403 10.104 1.00 0.00 C ATOM 1720 C ASP A 103 5.539 9.344 10.974 1.00 0.00 C ATOM 1721 O ASP A 103 6.137 9.653 12.006 1.00 0.00 O ATOM 1722 CB ASP A 103 3.658 10.967 10.818 1.00 0.00 C ATOM 1723 CG ASP A 103 3.295 12.355 10.341 1.00 0.00 C ATOM 1724 OD1 ASP A 103 3.932 13.330 10.796 1.00 0.00 O ATOM 1725 OD2 ASP A 103 2.368 12.484 9.520 1.00 0.00 O ATOM 0 H ASP A 103 3.556 9.609 8.691 1.00 0.00 H new ATOM 0 HA ASP A 103 5.593 11.217 9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.812 10.299 10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.846 10.993 11.891 1.00 0.00 H new ATOM 1730 N LEU A 104 5.425 8.094 10.551 1.00 0.00 N ATOM 1731 CA LEU A 104 6.031 6.985 11.270 1.00 0.00 C ATOM 1732 C LEU A 104 7.547 7.151 11.275 1.00 0.00 C ATOM 1733 O LEU A 104 8.200 7.002 12.307 1.00 0.00 O ATOM 1734 CB LEU A 104 5.631 5.655 10.618 1.00 0.00 C ATOM 1735 CG LEU A 104 5.579 4.442 11.554 1.00 0.00 C ATOM 1736 CD1 LEU A 104 6.974 4.013 11.987 1.00 0.00 C ATOM 1737 CD2 LEU A 104 4.717 4.760 12.766 1.00 0.00 C ATOM 0 H LEU A 104 4.916 7.822 9.710 1.00 0.00 H new ATOM 0 HA LEU A 104 5.675 6.980 12.300 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.650 5.778 10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.335 5.440 9.814 1.00 0.00 H new ATOM 0 HG LEU A 104 5.135 3.609 11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.900 3.151 12.650 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.562 3.746 11.109 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.460 4.834 12.513 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.684 3.894 13.427 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.141 5.609 13.302 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.706 5.005 12.439 1.00 0.00 H new ATOM 1749 N GLU A 105 8.096 7.501 10.118 1.00 0.00 N ATOM 1750 CA GLU A 105 9.526 7.750 9.995 1.00 0.00 C ATOM 1751 C GLU A 105 9.858 9.175 10.416 1.00 0.00 C ATOM 1752 O GLU A 105 11.005 9.615 10.321 1.00 0.00 O ATOM 1753 CB GLU A 105 9.996 7.497 8.566 1.00 0.00 C ATOM 1754 CG GLU A 105 9.866 6.046 8.142 1.00 0.00 C ATOM 1755 CD GLU A 105 10.371 5.804 6.741 1.00 0.00 C ATOM 1756 OE1 GLU A 105 11.589 5.583 6.573 1.00 0.00 O ATOM 1757 OE2 GLU A 105 9.552 5.814 5.802 1.00 0.00 O ATOM 0 H GLU A 105 7.572 7.619 9.251 1.00 0.00 H new ATOM 0 HA GLU A 105 10.050 7.061 10.657 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.418 8.121 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.038 7.804 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.421 5.417 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.820 5.745 8.204 1.00 0.00 H new ATOM 1764 N GLY A 106 8.840 9.890 10.876 1.00 0.00 N ATOM 1765 CA GLY A 106 9.040 11.217 11.414 1.00 0.00 C ATOM 1766 C GLY A 106 9.537 11.149 12.841 1.00 0.00 C ATOM 1767 O GLY A 106 10.009 12.141 13.396 1.00 0.00 O ATOM 0 H GLY A 106 7.872 9.569 10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.759 11.759 10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.104 11.774 11.376 1.00 0.00 H new ATOM 1771 N ALA A 107 9.411 9.970 13.436 1.00 0.00 N ATOM 1772 CA ALA A 107 9.946 9.718 14.762 1.00 0.00 C ATOM 1773 C ALA A 107 11.373 9.205 14.645 1.00 0.00 C ATOM 1774 O ALA A 107 11.602 8.035 14.330 1.00 0.00 O ATOM 1775 CB ALA A 107 9.075 8.719 15.513 1.00 0.00 C ATOM 0 H ALA A 107 8.939 9.170 13.015 1.00 0.00 H new ATOM 0 HA ALA A 107 9.948 10.650 15.327 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.494 8.544 16.504 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.065 9.118 15.611 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.042 7.779 14.962 1.00 0.00 H new ATOM 1781 N VAL A 108 12.330 10.089 14.868 1.00 0.00 N ATOM 1782 CA VAL A 108 13.730 9.741 14.718 1.00 0.00 C ATOM 1783 C VAL A 108 14.236 9.002 15.948 1.00 0.00 C ATOM 1784 O VAL A 108 14.421 9.596 17.015 1.00 0.00 O ATOM 1785 CB VAL A 108 14.601 10.992 14.467 1.00 0.00 C ATOM 1786 CG1 VAL A 108 16.060 10.608 14.267 1.00 0.00 C ATOM 1787 CG2 VAL A 108 14.082 11.767 13.264 1.00 0.00 C ATOM 0 H VAL A 108 12.162 11.054 15.154 1.00 0.00 H new ATOM 0 HA VAL A 108 13.810 9.087 13.849 1.00 0.00 H new ATOM 0 HB VAL A 108 14.539 11.633 15.347 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.652 11.506 14.092 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.428 10.099 15.158 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.147 9.943 13.407 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.706 12.645 13.100 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.113 11.130 12.380 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.055 12.081 13.449 1.00 0.00 H new ATOM 1797 N GLN A 109 14.418 7.699 15.803 1.00 0.00 N ATOM 1798 CA GLN A 109 14.977 6.878 16.868 1.00 0.00 C ATOM 1799 C GLN A 109 16.494 7.024 16.895 1.00 0.00 C ATOM 1800 O GLN A 109 17.055 7.918 16.261 1.00 0.00 O ATOM 1801 CB GLN A 109 14.621 5.402 16.659 1.00 0.00 C ATOM 1802 CG GLN A 109 13.134 5.091 16.724 1.00 0.00 C ATOM 1803 CD GLN A 109 12.859 3.602 16.615 1.00 0.00 C ATOM 1804 OE1 GLN A 109 12.806 2.892 17.619 1.00 0.00 O ATOM 1805 NE2 GLN A 109 12.691 3.115 15.394 1.00 0.00 N ATOM 0 H GLN A 109 14.186 7.184 14.954 1.00 0.00 H new ATOM 0 HA GLN A 109 14.555 7.216 17.814 1.00 0.00 H new ATOM 0 HB2 GLN A 109 15.003 5.084 15.689 1.00 0.00 H new ATOM 0 HB3 GLN A 109 15.136 4.808 17.414 1.00 0.00 H new ATOM 0 HG2 GLN A 109 12.726 5.467 17.662 1.00 0.00 H new ATOM 0 HG3 GLN A 109 12.619 5.615 15.919 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.742 3.735 14.586 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.511 2.120 15.262 1.00 0.00 H new ATOM 1814 N LYS A 110 17.152 6.148 17.635 1.00 0.00 N ATOM 1815 CA LYS A 110 18.602 6.083 17.620 1.00 0.00 C ATOM 1816 C LYS A 110 19.039 5.098 16.552 1.00 0.00 C ATOM 1817 O LYS A 110 20.056 5.296 15.887 1.00 0.00 O ATOM 1818 CB LYS A 110 19.137 5.658 18.988 1.00 0.00 C ATOM 1819 CG LYS A 110 18.712 6.587 20.109 1.00 0.00 C ATOM 1820 CD LYS A 110 19.308 6.173 21.440 1.00 0.00 C ATOM 1821 CE LYS A 110 18.864 7.107 22.554 1.00 0.00 C ATOM 1822 NZ LYS A 110 19.206 8.525 22.260 1.00 0.00 N ATOM 0 H LYS A 110 16.704 5.472 18.254 1.00 0.00 H new ATOM 0 HA LYS A 110 19.006 7.070 17.395 1.00 0.00 H new ATOM 0 HB2 LYS A 110 18.790 4.649 19.209 1.00 0.00 H new ATOM 0 HB3 LYS A 110 20.226 5.619 18.950 1.00 0.00 H new ATOM 0 HG2 LYS A 110 19.021 7.606 19.874 1.00 0.00 H new ATOM 0 HG3 LYS A 110 17.625 6.593 20.184 1.00 0.00 H new ATOM 0 HD2 LYS A 110 19.006 5.152 21.675 1.00 0.00 H new ATOM 0 HD3 LYS A 110 20.396 6.176 21.371 1.00 0.00 H new ATOM 0 HE2 LYS A 110 17.787 7.016 22.697 1.00 0.00 H new ATOM 0 HE3 LYS A 110 19.336 6.806 23.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 19.108 9.092 23.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 20.187 8.582 21.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 18.563 8.893 21.530 1.00 0.00 H new ATOM 1836 N LEU A 111 18.245 4.034 16.408 1.00 0.00 N ATOM 1837 CA LEU A 111 18.428 3.040 15.353 1.00 0.00 C ATOM 1838 C LEU A 111 19.833 2.444 15.402 1.00 0.00 C ATOM 1839 O LEU A 111 20.462 2.209 14.367 1.00 0.00 O ATOM 1840 CB LEU A 111 18.150 3.671 13.980 1.00 0.00 C ATOM 1841 CG LEU A 111 18.033 2.685 12.815 1.00 0.00 C ATOM 1842 CD1 LEU A 111 16.893 1.706 13.055 1.00 0.00 C ATOM 1843 CD2 LEU A 111 17.827 3.432 11.508 1.00 0.00 C ATOM 0 H LEU A 111 17.455 3.839 17.023 1.00 0.00 H new ATOM 0 HA LEU A 111 17.718 2.229 15.514 1.00 0.00 H new ATOM 0 HB2 LEU A 111 17.225 4.244 14.043 1.00 0.00 H new ATOM 0 HB3 LEU A 111 18.948 4.379 13.756 1.00 0.00 H new ATOM 0 HG LEU A 111 18.962 2.119 12.748 1.00 0.00 H new ATOM 0 HD11 LEU A 111 16.826 1.013 12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 111 17.080 1.148 13.972 1.00 0.00 H new ATOM 0 HD13 LEU A 111 15.956 2.255 13.149 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.746 2.717 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 111 16.913 4.022 11.567 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.675 4.093 11.329 1.00 0.00 H new ATOM 1855 N GLU A 112 20.321 2.195 16.609 1.00 0.00 N ATOM 1856 CA GLU A 112 21.633 1.598 16.783 1.00 0.00 C ATOM 1857 C GLU A 112 21.667 0.203 16.185 1.00 0.00 C ATOM 1858 O GLU A 112 20.900 -0.675 16.585 1.00 0.00 O ATOM 1859 CB GLU A 112 22.024 1.538 18.258 1.00 0.00 C ATOM 1860 CG GLU A 112 22.300 2.895 18.875 1.00 0.00 C ATOM 1861 CD GLU A 112 22.986 2.780 20.216 1.00 0.00 C ATOM 1862 OE1 GLU A 112 24.174 2.385 20.241 1.00 0.00 O ATOM 1863 OE2 GLU A 112 22.354 3.082 21.246 1.00 0.00 O ATOM 0 H GLU A 112 19.828 2.397 17.479 1.00 0.00 H new ATOM 0 HA GLU A 112 22.354 2.228 16.262 1.00 0.00 H new ATOM 0 HB2 GLU A 112 21.224 1.052 18.816 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.912 0.914 18.364 1.00 0.00 H new ATOM 0 HG2 GLU A 112 22.923 3.480 18.199 1.00 0.00 H new ATOM 0 HG3 GLU A 112 21.362 3.437 18.993 1.00 0.00 H new ATOM 1870 N HIS A 113 22.554 0.012 15.222 1.00 0.00 N ATOM 1871 CA HIS A 113 22.724 -1.282 14.583 1.00 0.00 C ATOM 1872 C HIS A 113 23.331 -2.251 15.579 1.00 0.00 C ATOM 1873 O HIS A 113 23.106 -3.457 15.512 1.00 0.00 O ATOM 1874 CB HIS A 113 23.600 -1.164 13.330 1.00 0.00 C ATOM 1875 CG HIS A 113 22.995 -0.308 12.259 1.00 0.00 C ATOM 1876 ND1 HIS A 113 22.516 -0.809 11.069 1.00 0.00 N ATOM 1877 CD2 HIS A 113 22.787 1.028 12.210 1.00 0.00 C ATOM 1878 CE1 HIS A 113 22.038 0.181 10.337 1.00 0.00 C ATOM 1879 NE2 HIS A 113 22.192 1.306 11.009 1.00 0.00 N ATOM 0 H HIS A 113 23.171 0.742 14.864 1.00 0.00 H new ATOM 0 HA HIS A 113 21.751 -1.656 14.265 1.00 0.00 H new ATOM 0 HB2 HIS A 113 24.569 -0.751 13.611 1.00 0.00 H new ATOM 0 HB3 HIS A 113 23.783 -2.161 12.928 1.00 0.00 H new ATOM 0 HD2 HIS A 113 23.043 1.743 12.977 1.00 0.00 H new ATOM 0 HE1 HIS A 113 21.596 0.086 9.356 1.00 0.00 H new ATOM 0 HE2 HIS A 113 21.913 2.232 10.686 1.00 0.00 H new ATOM 1888 N HIS A 114 24.091 -1.704 16.517 1.00 0.00 N ATOM 1889 CA HIS A 114 24.569 -2.476 17.648 1.00 0.00 C ATOM 1890 C HIS A 114 23.482 -2.511 18.708 1.00 0.00 C ATOM 1891 O HIS A 114 23.423 -1.640 19.578 1.00 0.00 O ATOM 1892 CB HIS A 114 25.847 -1.878 18.247 1.00 0.00 C ATOM 1893 CG HIS A 114 27.007 -1.803 17.305 1.00 0.00 C ATOM 1894 ND1 HIS A 114 27.659 -2.913 16.821 1.00 0.00 N ATOM 1895 CD2 HIS A 114 27.649 -0.736 16.777 1.00 0.00 C ATOM 1896 CE1 HIS A 114 28.653 -2.534 16.042 1.00 0.00 C ATOM 1897 NE2 HIS A 114 28.672 -1.215 15.996 1.00 0.00 N ATOM 0 H HIS A 114 24.388 -0.728 16.515 1.00 0.00 H new ATOM 0 HA HIS A 114 24.806 -3.482 17.302 1.00 0.00 H new ATOM 0 HB2 HIS A 114 25.626 -0.874 18.609 1.00 0.00 H new ATOM 0 HB3 HIS A 114 26.138 -2.473 19.113 1.00 0.00 H new ATOM 0 HD2 HIS A 114 27.402 0.303 16.940 1.00 0.00 H new ATOM 0 HE1 HIS A 114 29.337 -3.193 15.528 1.00 0.00 H new ATOM 0 HE2 HIS A 114 29.335 -0.647 15.469 1.00 0.00 H new ATOM 1906 N HIS A 115 22.597 -3.489 18.609 1.00 0.00 N ATOM 1907 CA HIS A 115 21.481 -3.593 19.533 1.00 0.00 C ATOM 1908 C HIS A 115 21.953 -4.159 20.861 1.00 0.00 C ATOM 1909 O HIS A 115 22.042 -5.374 21.035 1.00 0.00 O ATOM 1910 CB HIS A 115 20.362 -4.461 18.951 1.00 0.00 C ATOM 1911 CG HIS A 115 19.647 -3.835 17.790 1.00 0.00 C ATOM 1912 ND1 HIS A 115 19.927 -4.137 16.473 1.00 0.00 N ATOM 1913 CD2 HIS A 115 18.645 -2.923 17.759 1.00 0.00 C ATOM 1914 CE1 HIS A 115 19.126 -3.440 15.686 1.00 0.00 C ATOM 1915 NE2 HIS A 115 18.337 -2.698 16.442 1.00 0.00 N ATOM 0 H HIS A 115 22.630 -4.221 17.899 1.00 0.00 H new ATOM 0 HA HIS A 115 21.080 -2.593 19.696 1.00 0.00 H new ATOM 0 HB2 HIS A 115 20.783 -5.415 18.634 1.00 0.00 H new ATOM 0 HB3 HIS A 115 19.638 -4.678 19.737 1.00 0.00 H new ATOM 0 HD2 HIS A 115 18.176 -2.459 18.614 1.00 0.00 H new ATOM 0 HE1 HIS A 115 19.118 -3.472 14.606 1.00 0.00 H new ATOM 0 HE2 HIS A 115 17.616 -2.062 16.102 1.00 0.00 H new ATOM 1924 N HIS A 116 22.285 -3.268 21.779 1.00 0.00 N ATOM 1925 CA HIS A 116 22.780 -3.665 23.085 1.00 0.00 C ATOM 1926 C HIS A 116 21.720 -3.409 24.148 1.00 0.00 C ATOM 1927 O HIS A 116 21.515 -2.273 24.567 1.00 0.00 O ATOM 1928 CB HIS A 116 24.064 -2.898 23.417 1.00 0.00 C ATOM 1929 CG HIS A 116 24.772 -3.398 24.638 1.00 0.00 C ATOM 1930 ND1 HIS A 116 25.868 -4.229 24.580 1.00 0.00 N ATOM 1931 CD2 HIS A 116 24.537 -3.182 25.954 1.00 0.00 C ATOM 1932 CE1 HIS A 116 26.273 -4.505 25.804 1.00 0.00 C ATOM 1933 NE2 HIS A 116 25.483 -3.883 26.657 1.00 0.00 N ATOM 0 H HIS A 116 22.220 -2.259 21.642 1.00 0.00 H new ATOM 0 HA HIS A 116 23.005 -4.731 23.068 1.00 0.00 H new ATOM 0 HB2 HIS A 116 24.742 -2.959 22.566 1.00 0.00 H new ATOM 0 HB3 HIS A 116 23.820 -1.845 23.556 1.00 0.00 H new ATOM 0 HD2 HIS A 116 23.751 -2.571 26.372 1.00 0.00 H new ATOM 0 HE1 HIS A 116 27.111 -5.135 26.064 1.00 0.00 H new ATOM 0 HE2 HIS A 116 25.562 -3.918 27.673 1.00 0.00 H new ATOM 1942 N HIS A 117 21.041 -4.466 24.561 1.00 0.00 N ATOM 1943 CA HIS A 117 20.026 -4.365 25.601 1.00 0.00 C ATOM 1944 C HIS A 117 20.646 -4.636 26.962 1.00 0.00 C ATOM 1945 O HIS A 117 21.705 -5.259 27.055 1.00 0.00 O ATOM 1946 CB HIS A 117 18.880 -5.350 25.345 1.00 0.00 C ATOM 1947 CG HIS A 117 18.097 -5.057 24.102 1.00 0.00 C ATOM 1948 ND1 HIS A 117 16.825 -4.530 24.119 1.00 0.00 N ATOM 1949 CD2 HIS A 117 18.414 -5.221 22.796 1.00 0.00 C ATOM 1950 CE1 HIS A 117 16.393 -4.385 22.882 1.00 0.00 C ATOM 1951 NE2 HIS A 117 17.339 -4.795 22.061 1.00 0.00 N ATOM 0 H HIS A 117 21.174 -5.408 24.192 1.00 0.00 H new ATOM 0 HA HIS A 117 19.620 -3.353 25.585 1.00 0.00 H new ATOM 0 HB2 HIS A 117 19.288 -6.358 25.277 1.00 0.00 H new ATOM 0 HB3 HIS A 117 18.204 -5.337 26.200 1.00 0.00 H new ATOM 0 HD2 HIS A 117 19.341 -5.614 22.406 1.00 0.00 H new ATOM 0 HE1 HIS A 117 15.428 -3.996 22.591 1.00 0.00 H new ATOM 0 HE2 HIS A 117 17.280 -4.795 21.043 1.00 0.00 H new ATOM 1960 N HIS A 118 19.995 -4.163 28.010 1.00 0.00 N ATOM 1961 CA HIS A 118 20.499 -4.360 29.362 1.00 0.00 C ATOM 1962 C HIS A 118 19.586 -5.311 30.133 1.00 0.00 C ATOM 1963 O HIS A 118 18.538 -4.868 30.638 1.00 0.00 O ATOM 1964 CB HIS A 118 20.671 -3.013 30.096 1.00 0.00 C ATOM 1965 CG HIS A 118 19.409 -2.223 30.290 1.00 0.00 C ATOM 1966 ND1 HIS A 118 18.847 -2.002 31.527 1.00 0.00 N ATOM 1967 CD2 HIS A 118 18.607 -1.599 29.398 1.00 0.00 C ATOM 1968 CE1 HIS A 118 17.752 -1.283 31.386 1.00 0.00 C ATOM 1969 NE2 HIS A 118 17.581 -1.023 30.105 1.00 0.00 N ATOM 1970 OXT HIS A 118 19.917 -6.511 30.209 1.00 0.00 O ATOM 0 H HIS A 118 19.120 -3.642 27.954 1.00 0.00 H new ATOM 0 HA HIS A 118 21.487 -4.817 29.300 1.00 0.00 H new ATOM 0 HB2 HIS A 118 21.114 -3.204 31.073 1.00 0.00 H new ATOM 0 HB3 HIS A 118 21.381 -2.402 29.538 1.00 0.00 H new ATOM 0 HD2 HIS A 118 18.748 -1.561 28.328 1.00 0.00 H new ATOM 0 HE1 HIS A 118 17.103 -0.960 32.186 1.00 0.00 H new ATOM 0 HE2 HIS A 118 16.813 -0.483 29.705 1.00 0.00 H new TER 1979 HIS A 118