USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1057 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: B 105 CYS SG : rot 172:sc= -3.06! USER MOD Set 1.2: B 108 CYS SG : rot -67:sc= -1.24 USER MOD Set 1.3: B 126 CYS SG : rot 122:sc= -2.59! USER MOD Set 1.4: B 129 HIS : no HD1:sc= -1.61 K(o=-8.5,f=-10) USER MOD Set 2.1: B 79 CYS SG : rot -171:sc= -5.05! USER MOD Set 2.2: B 82 CYS SG : rot -110:sc= -0.168 USER MOD Set 2.3: B 99 HIS : no HE2:sc= -4.91 K(o=-9.6,f=-13!) USER MOD Set 2.4: B 102 HIS : no HD1:sc= 0.486 K(o=-9.6,f=-12) USER MOD Set 3.1: A 48 ASN : amide:sc= -26.7! C(o=-28!,f=-20!) USER MOD Set 3.2: A 52 GLN : amide:sc= -0.975 K(o=-28,f=-25) USER MOD Set 4.1: A 31 MET CE :methyl -156:sc= -1.19 (180deg=-3.27!) USER MOD Set 4.2: A 46 CYS SG : rot 6:sc= 0.603 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -173:sc= -0.364 (180deg=-0.532) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.02 X(o=-1,f=-1.4) USER MOD Single : A 10 GLN : amide:sc= -0.531 K(o=-0.53,f=-1.6) USER MOD Single : A 11 THR OG1 : rot -123:sc= 1.12 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 160:sc= -2.51 USER MOD Single : A 19 THR OG1 : rot -160:sc= -0.782 USER MOD Single : A 24 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc=-0.00139 (180deg=-0.156) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00399 USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= -16.5! (180deg=-18.8!) USER MOD Single : A 39 ASN : amide:sc= -0.0574 K(o=-0.057,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.0105 (180deg=-0.245) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= 0.138 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 175:sc= -7.5! USER MOD Single : A 71 HIS : no HD1:sc= -0.691 K(o=-0.69,f=-1.9!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.07! K(o=-4.1!,f=-0.33) USER MOD Single : B 94 MET CE :methyl -160:sc= -1.21 (180deg=-3.23!) USER MOD Single : B 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0999) USER MOD Single : B 97 GLN : amide:sc= -7.11! K(o=-7.1!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -152:sc= -1.02 (180deg=-2.69!) USER MOD Single : B 110 LYS NZ :NH3+ 152:sc= -0.19 (180deg=-0.98) USER MOD Single : B 115 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-0.62) USER MOD Single : B 117 HIS : no HD1:sc= -0.469 K(o=-0.47,f=-1) USER MOD Single : B 118 TYR OH : rot 6:sc= -0.605 USER MOD Single : B 121 LYS NZ :NH3+ -164:sc=-0.00976 (180deg=-0.214) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -104:sc= 0.772 USER MOD Single : B 131 ASN : amide:sc= -0.676 K(o=-0.68,f=-5.5!) USER MOD Single : B 132 GLN : amide:sc= -0.751 K(o=-0.75,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.239 -10.363 -28.071 1.00 0.00 N ATOM 2 CA GLN A 1 -11.067 -9.920 -28.877 1.00 0.00 C ATOM 3 C GLN A 1 -10.097 -9.148 -27.983 1.00 0.00 C ATOM 4 O GLN A 1 -9.127 -8.580 -28.446 1.00 0.00 O ATOM 5 CB GLN A 1 -11.542 -9.014 -30.015 1.00 0.00 C ATOM 6 CG GLN A 1 -12.554 -9.769 -30.880 1.00 0.00 C ATOM 7 CD GLN A 1 -12.797 -8.991 -32.175 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.366 -9.404 -33.234 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.474 -7.877 -32.136 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.840 -10.987 -28.646 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.908 -10.879 -27.231 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.789 -9.532 -27.772 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.563 -10.792 -29.294 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -11.997 -8.111 -29.609 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -10.693 -8.698 -30.621 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -12.181 -10.768 -31.107 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.491 -9.895 -30.337 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.836 -7.531 -31.247 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -13.642 -7.352 -32.994 1.00 0.00 H new ATOM 20 N GLY A 2 -10.348 -9.119 -26.701 1.00 0.00 N ATOM 21 CA GLY A 2 -9.439 -8.384 -25.779 1.00 0.00 C ATOM 22 C GLY A 2 -9.780 -8.739 -24.333 1.00 0.00 C ATOM 23 O GLY A 2 -10.375 -7.960 -23.613 1.00 0.00 O ATOM 0 H GLY A 2 -11.144 -9.573 -26.254 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.402 -8.642 -25.993 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.539 -7.310 -25.934 1.00 0.00 H new ATOM 27 N SER A 3 -9.409 -9.913 -23.896 1.00 0.00 N ATOM 28 CA SER A 3 -9.713 -10.316 -22.495 1.00 0.00 C ATOM 29 C SER A 3 -8.817 -11.489 -22.094 1.00 0.00 C ATOM 30 O SER A 3 -9.222 -12.368 -21.359 1.00 0.00 O ATOM 31 CB SER A 3 -11.179 -10.737 -22.391 1.00 0.00 C ATOM 32 OG SER A 3 -11.401 -11.874 -23.212 1.00 0.00 O ATOM 0 H SER A 3 -8.909 -10.609 -24.449 1.00 0.00 H new ATOM 0 HA SER A 3 -9.529 -9.474 -21.828 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.430 -10.967 -21.356 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.827 -9.918 -22.702 1.00 0.00 H new ATOM 0 HG SER A 3 -12.340 -12.147 -23.146 1.00 0.00 H new ATOM 38 N ARG A 4 -7.602 -11.508 -22.567 1.00 0.00 N ATOM 39 CA ARG A 4 -6.680 -12.623 -22.208 1.00 0.00 C ATOM 40 C ARG A 4 -6.236 -12.456 -20.754 1.00 0.00 C ATOM 41 O ARG A 4 -6.121 -11.356 -20.253 1.00 0.00 O ATOM 42 CB ARG A 4 -5.456 -12.591 -23.125 1.00 0.00 C ATOM 43 CG ARG A 4 -4.522 -13.756 -22.778 1.00 0.00 C ATOM 44 CD ARG A 4 -3.344 -13.789 -23.755 1.00 0.00 C ATOM 45 NE ARG A 4 -3.837 -13.664 -25.169 1.00 0.00 N ATOM 46 CZ ARG A 4 -4.709 -14.499 -25.670 1.00 0.00 C ATOM 47 NH1 ARG A 4 -5.051 -15.575 -25.017 1.00 0.00 N ATOM 48 NH2 ARG A 4 -5.200 -14.283 -26.861 1.00 0.00 N ATOM 0 H ARG A 4 -7.207 -10.800 -23.186 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.193 -13.577 -22.328 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.768 -12.660 -24.167 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.929 -11.643 -23.012 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.156 -13.648 -21.757 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.069 -14.698 -22.823 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.653 -12.976 -23.530 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.790 -14.720 -23.637 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.482 -12.907 -25.753 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.637 -15.772 -24.106 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.732 -16.220 -25.418 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.903 -13.466 -27.395 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.881 -14.931 -27.257 1.00 0.00 H new ATOM 62 N VAL A 5 -5.982 -13.537 -20.070 1.00 0.00 N ATOM 63 CA VAL A 5 -5.546 -13.428 -18.650 1.00 0.00 C ATOM 64 C VAL A 5 -4.169 -12.759 -18.596 1.00 0.00 C ATOM 65 O VAL A 5 -3.148 -13.410 -18.691 1.00 0.00 O ATOM 66 CB VAL A 5 -5.464 -14.827 -18.035 1.00 0.00 C ATOM 67 CG1 VAL A 5 -5.156 -14.710 -16.540 1.00 0.00 C ATOM 68 CG2 VAL A 5 -6.802 -15.545 -18.225 1.00 0.00 C ATOM 0 H VAL A 5 -6.057 -14.488 -20.431 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.263 -12.829 -18.089 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.673 -15.394 -18.525 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.098 -15.706 -16.102 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.204 -14.197 -16.404 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.947 -14.143 -16.049 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.745 -16.542 -17.788 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.592 -14.977 -17.734 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.023 -15.628 -19.289 1.00 0.00 H new ATOM 78 N LEU A 6 -4.144 -11.461 -18.430 1.00 0.00 N ATOM 79 CA LEU A 6 -2.848 -10.714 -18.348 1.00 0.00 C ATOM 80 C LEU A 6 -2.802 -9.992 -17.007 1.00 0.00 C ATOM 81 O LEU A 6 -1.879 -10.143 -16.232 1.00 0.00 O ATOM 82 CB LEU A 6 -2.772 -9.684 -19.483 1.00 0.00 C ATOM 83 CG LEU A 6 -2.587 -10.399 -20.838 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.053 -9.478 -21.972 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.108 -10.749 -21.060 1.00 0.00 C ATOM 0 H LEU A 6 -4.977 -10.878 -18.347 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.009 -11.404 -18.440 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.682 -9.084 -19.501 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.942 -8.999 -19.308 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.178 -11.315 -20.831 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.922 -9.984 -22.929 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.106 -9.233 -21.832 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.463 -8.562 -21.962 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.993 -11.253 -22.020 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.513 -9.835 -21.056 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.766 -11.407 -20.261 1.00 0.00 H new ATOM 97 N HIS A 7 -3.811 -9.209 -16.730 1.00 0.00 N ATOM 98 CA HIS A 7 -3.865 -8.467 -15.444 1.00 0.00 C ATOM 99 C HIS A 7 -5.320 -8.377 -14.986 1.00 0.00 C ATOM 100 O HIS A 7 -5.935 -7.333 -15.049 1.00 0.00 O ATOM 101 CB HIS A 7 -3.303 -7.058 -15.642 1.00 0.00 C ATOM 102 CG HIS A 7 -1.896 -7.151 -16.167 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.834 -7.547 -15.370 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.362 -6.898 -17.406 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.275 -7.523 -16.132 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.010 -7.134 -17.383 1.00 0.00 N ATOM 0 H HIS A 7 -4.607 -9.053 -17.349 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.272 -8.987 -14.692 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.927 -6.500 -16.340 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.315 -6.513 -14.698 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.884 -7.809 -14.385 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.921 -6.566 -18.268 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.260 -7.786 -15.776 1.00 0.00 H new ATOM 114 N VAL A 8 -5.874 -9.456 -14.508 1.00 0.00 N ATOM 115 CA VAL A 8 -7.283 -9.416 -14.032 1.00 0.00 C ATOM 116 C VAL A 8 -7.297 -8.574 -12.762 1.00 0.00 C ATOM 117 O VAL A 8 -6.266 -8.416 -12.137 1.00 0.00 O ATOM 118 CB VAL A 8 -7.761 -10.839 -13.727 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.283 -10.857 -13.634 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.313 -11.779 -14.851 1.00 0.00 C ATOM 0 H VAL A 8 -5.412 -10.362 -14.427 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.945 -8.989 -14.786 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.333 -11.169 -12.780 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.622 -11.870 -13.417 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.607 -10.187 -12.837 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.709 -10.527 -14.581 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.653 -12.792 -14.635 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.742 -11.446 -15.796 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.225 -11.768 -14.922 1.00 0.00 H new ATOM 130 N VAL A 9 -8.416 -8.007 -12.359 1.00 0.00 N ATOM 131 CA VAL A 9 -8.378 -7.164 -11.122 1.00 0.00 C ATOM 132 C VAL A 9 -9.679 -7.281 -10.325 1.00 0.00 C ATOM 133 O VAL A 9 -10.767 -7.147 -10.846 1.00 0.00 O ATOM 134 CB VAL A 9 -8.133 -5.690 -11.507 1.00 0.00 C ATOM 135 CG1 VAL A 9 -7.022 -5.599 -12.557 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.413 -5.088 -12.089 1.00 0.00 C ATOM 0 H VAL A 9 -9.323 -8.089 -12.817 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.564 -7.523 -10.492 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.837 -5.140 -10.613 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.857 -4.555 -12.822 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.102 -6.020 -12.151 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.315 -6.157 -13.446 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.235 -4.047 -12.359 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.708 -5.648 -12.976 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.209 -5.139 -11.347 1.00 0.00 H new ATOM 146 N GLN A 10 -9.551 -7.507 -9.043 1.00 0.00 N ATOM 147 CA GLN A 10 -10.742 -7.617 -8.155 1.00 0.00 C ATOM 148 C GLN A 10 -10.939 -6.287 -7.417 1.00 0.00 C ATOM 149 O GLN A 10 -10.024 -5.752 -6.823 1.00 0.00 O ATOM 150 CB GLN A 10 -10.519 -8.733 -7.133 1.00 0.00 C ATOM 151 CG GLN A 10 -10.508 -10.088 -7.846 1.00 0.00 C ATOM 152 CD GLN A 10 -10.207 -11.194 -6.832 1.00 0.00 C ATOM 153 OE1 GLN A 10 -9.143 -11.223 -6.248 1.00 0.00 O ATOM 154 NE2 GLN A 10 -11.104 -12.111 -6.599 1.00 0.00 N ATOM 0 H GLN A 10 -8.655 -7.622 -8.568 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.624 -7.845 -8.753 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.575 -8.578 -6.610 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.307 -8.713 -6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.472 -10.269 -8.322 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.757 -10.090 -8.636 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.998 -12.086 -7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.912 -12.853 -5.926 1.00 0.00 H new ATOM 163 N THR A 11 -12.126 -5.757 -7.458 1.00 0.00 N ATOM 164 CA THR A 11 -12.404 -4.463 -6.770 1.00 0.00 C ATOM 165 C THR A 11 -12.218 -4.606 -5.273 1.00 0.00 C ATOM 166 O THR A 11 -12.354 -5.666 -4.697 1.00 0.00 O ATOM 167 CB THR A 11 -13.840 -4.054 -7.046 1.00 0.00 C ATOM 168 OG1 THR A 11 -14.066 -4.056 -8.445 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.128 -2.659 -6.470 1.00 0.00 C ATOM 0 H THR A 11 -12.925 -6.166 -7.942 1.00 0.00 H new ATOM 0 HA THR A 11 -11.711 -3.710 -7.145 1.00 0.00 H new ATOM 0 HB THR A 11 -14.510 -4.767 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.371 -3.169 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.162 -2.386 -6.679 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.966 -2.670 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.460 -1.931 -6.930 1.00 0.00 H new ATOM 177 N LEU A 12 -11.923 -3.511 -4.652 1.00 5.40 N ATOM 178 CA LEU A 12 -11.723 -3.470 -3.176 1.00 9.02 C ATOM 179 C LEU A 12 -12.846 -2.612 -2.591 1.00 10.54 C ATOM 180 O LEU A 12 -13.116 -2.650 -1.408 1.00 10.21 O ATOM 181 CB LEU A 12 -10.362 -2.802 -2.840 1.00 7.97 C ATOM 182 CG LEU A 12 -9.095 -3.616 -3.294 1.00 7.96 C ATOM 183 CD1 LEU A 12 -7.851 -2.732 -3.179 1.00 6.40 C ATOM 184 CD2 LEU A 12 -8.832 -4.885 -2.464 1.00 6.66 C ATOM 0 H LEU A 12 -11.807 -2.610 -5.116 1.00 5.40 H new ATOM 0 HA LEU A 12 -11.731 -4.480 -2.766 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -10.331 -1.818 -3.309 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -10.308 -2.644 -1.763 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.297 -3.923 -4.320 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -6.973 -3.296 -3.494 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -7.967 -1.856 -3.817 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -7.726 -2.413 -2.144 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -7.942 -5.388 -2.841 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -8.680 -4.612 -1.420 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -9.688 -5.555 -2.543 1.00 6.66 H new ATOM 196 N TYR A 13 -13.502 -1.828 -3.414 1.00 12.19 N ATOM 197 CA TYR A 13 -14.610 -0.962 -2.886 1.00 12.32 C ATOM 198 C TYR A 13 -15.695 -0.737 -3.968 1.00 14.17 C ATOM 199 O TYR A 13 -15.361 -0.616 -5.131 1.00 14.79 O ATOM 200 CB TYR A 13 -14.027 0.395 -2.477 1.00 14.83 C ATOM 201 CG TYR A 13 -12.727 0.185 -1.737 1.00 15.75 C ATOM 202 CD1 TYR A 13 -12.742 -0.209 -0.392 1.00 18.39 C ATOM 203 CD2 TYR A 13 -11.505 0.386 -2.392 1.00 10.85 C ATOM 204 CE1 TYR A 13 -11.537 -0.400 0.294 1.00 12.56 C ATOM 205 CE2 TYR A 13 -10.300 0.193 -1.706 1.00 10.94 C ATOM 206 CZ TYR A 13 -10.317 -0.199 -0.361 1.00 12.35 C ATOM 207 OH TYR A 13 -9.127 -0.388 0.317 1.00 12.20 O ATOM 0 H TYR A 13 -13.323 -1.749 -4.415 1.00 12.19 H new ATOM 0 HA TYR A 13 -15.066 -1.459 -2.030 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -13.859 1.011 -3.360 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -14.735 0.931 -1.845 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -13.683 -0.365 0.115 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -11.493 0.690 -3.428 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -11.549 -0.703 1.331 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -9.359 0.346 -2.213 1.00 10.94 H new ATOM 0 HH TYR A 13 -8.375 -0.207 -0.285 1.00 12.20 H new ATOM 217 N PRO A 14 -16.969 -0.652 -3.573 1.00 0.00 N ATOM 218 CA PRO A 14 -18.063 -0.403 -4.542 1.00 0.00 C ATOM 219 C PRO A 14 -18.002 1.064 -5.001 1.00 0.00 C ATOM 220 O PRO A 14 -18.711 1.910 -4.493 1.00 0.00 O ATOM 221 CB PRO A 14 -19.356 -0.663 -3.741 1.00 0.00 C ATOM 222 CG PRO A 14 -18.967 -0.637 -2.238 1.00 0.00 C ATOM 223 CD PRO A 14 -17.430 -0.799 -2.166 1.00 0.00 C ATOM 0 HA PRO A 14 -18.002 -1.031 -5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.105 0.098 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.791 -1.625 -4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.278 0.300 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.465 -1.441 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.982 -0.043 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.153 -1.771 -1.758 1.00 0.00 H new ATOM 231 N PHE A 15 -17.154 1.373 -5.938 1.00 0.00 N ATOM 232 CA PHE A 15 -17.043 2.790 -6.400 1.00 0.00 C ATOM 233 C PHE A 15 -18.268 3.193 -7.215 1.00 0.00 C ATOM 234 O PHE A 15 -19.091 2.376 -7.577 1.00 0.00 O ATOM 235 CB PHE A 15 -15.804 2.951 -7.274 1.00 0.00 C ATOM 236 CG PHE A 15 -15.532 4.425 -7.552 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.350 5.333 -6.495 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.461 4.882 -8.878 1.00 0.00 C ATOM 239 CE1 PHE A 15 -15.096 6.683 -6.765 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.207 6.234 -9.144 1.00 0.00 C ATOM 241 CZ PHE A 15 -15.026 7.132 -8.088 1.00 0.00 C ATOM 0 H PHE A 15 -16.533 0.712 -6.405 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.972 3.428 -5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -14.942 2.504 -6.779 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.944 2.418 -8.214 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.406 4.989 -5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.603 4.190 -9.695 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.954 7.378 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.151 6.582 -10.165 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.832 8.174 -8.294 1.00 0.00 H new ATOM 251 N SER A 16 -18.378 4.464 -7.509 1.00 0.00 N ATOM 252 CA SER A 16 -19.536 4.962 -8.313 1.00 0.00 C ATOM 253 C SER A 16 -19.040 5.977 -9.338 1.00 0.00 C ATOM 254 O SER A 16 -18.617 7.067 -9.008 1.00 0.00 O ATOM 255 CB SER A 16 -20.558 5.624 -7.387 1.00 0.00 C ATOM 256 OG SER A 16 -21.174 4.629 -6.582 1.00 0.00 O ATOM 0 H SER A 16 -17.712 5.182 -7.225 1.00 0.00 H new ATOM 0 HA SER A 16 -20.008 4.125 -8.828 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.068 6.366 -6.757 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.310 6.151 -7.974 1.00 0.00 H new ATOM 0 HG SER A 16 -21.829 5.049 -5.986 1.00 0.00 H new ATOM 262 N SER A 17 -19.092 5.610 -10.587 1.00 0.00 N ATOM 263 CA SER A 17 -18.632 6.512 -11.680 1.00 0.00 C ATOM 264 C SER A 17 -19.681 6.487 -12.793 1.00 0.00 C ATOM 265 O SER A 17 -19.860 5.488 -13.459 1.00 0.00 O ATOM 266 CB SER A 17 -17.274 6.006 -12.183 1.00 0.00 C ATOM 267 OG SER A 17 -16.465 7.116 -12.540 1.00 0.00 O ATOM 0 H SER A 17 -19.441 4.705 -10.903 1.00 0.00 H new ATOM 0 HA SER A 17 -18.514 7.538 -11.333 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.783 5.417 -11.409 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.413 5.350 -13.043 1.00 0.00 H new ATOM 0 HG SER A 17 -15.523 6.844 -12.551 1.00 0.00 H new ATOM 273 N VAL A 18 -20.375 7.583 -13.003 1.00 0.00 N ATOM 274 CA VAL A 18 -21.413 7.624 -14.061 1.00 0.00 C ATOM 275 C VAL A 18 -21.199 8.859 -14.922 1.00 0.00 C ATOM 276 O VAL A 18 -21.683 9.940 -14.657 1.00 0.00 O ATOM 277 CB VAL A 18 -22.799 7.685 -13.402 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.122 6.339 -12.750 1.00 0.00 C ATOM 279 CG2 VAL A 18 -22.807 8.781 -12.329 1.00 0.00 C ATOM 0 H VAL A 18 -20.259 8.451 -12.479 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.346 6.732 -14.685 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.548 7.909 -14.162 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.106 6.387 -12.284 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.118 5.557 -13.509 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.372 6.113 -11.992 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.790 8.825 -11.861 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.055 8.555 -11.573 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.581 9.743 -12.790 1.00 0.00 H new ATOM 289 N THR A 19 -20.500 8.654 -15.978 1.00 38.32 N ATOM 290 CA THR A 19 -20.220 9.733 -16.969 1.00 37.06 C ATOM 291 C THR A 19 -20.211 9.098 -18.350 1.00 36.60 C ATOM 292 O THR A 19 -20.833 8.081 -18.590 1.00 36.42 O ATOM 293 CB THR A 19 -18.847 10.391 -16.697 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.616 10.434 -15.297 1.00 37.96 O ATOM 295 CG2 THR A 19 -18.828 11.821 -17.252 1.00 37.86 C ATOM 0 H THR A 19 -20.089 7.752 -16.217 1.00 38.32 H new ATOM 0 HA THR A 19 -20.984 10.507 -16.895 1.00 37.06 H new ATOM 0 HB THR A 19 -18.069 9.805 -17.187 1.00 37.05 H new ATOM 0 HG1 THR A 19 -17.933 11.108 -15.099 1.00 37.96 H new ATOM 0 HG21 THR A 19 -17.857 12.275 -17.055 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.006 11.796 -18.327 1.00 37.86 H new ATOM 0 HG23 THR A 19 -19.608 12.409 -16.769 1.00 37.86 H new ATOM 303 N GLU A 20 -19.479 9.672 -19.240 1.00 36.33 N ATOM 304 CA GLU A 20 -19.363 9.137 -20.573 1.00 36.39 C ATOM 305 C GLU A 20 -18.303 8.024 -20.515 1.00 30.94 C ATOM 306 O GLU A 20 -18.537 6.911 -20.942 1.00 31.73 O ATOM 307 CB GLU A 20 -18.977 10.328 -21.457 1.00 41.00 C ATOM 308 CG GLU A 20 -20.122 11.273 -21.519 1.00 49.07 C ATOM 309 CD GLU A 20 -19.742 12.518 -22.322 1.00 52.00 C ATOM 310 OE1 GLU A 20 -18.629 12.564 -22.815 1.00 54.38 O ATOM 311 OE2 GLU A 20 -20.574 13.403 -22.432 1.00 55.13 O ATOM 0 H GLU A 20 -18.941 10.523 -19.076 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.270 8.689 -20.980 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -18.097 10.828 -21.052 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -18.717 9.985 -22.458 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -20.981 10.784 -21.979 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -20.420 11.560 -20.511 1.00 49.07 H new ATOM 318 N GLU A 21 -17.131 8.333 -20.026 1.00 0.00 N ATOM 319 CA GLU A 21 -16.033 7.356 -19.964 1.00 0.00 C ATOM 320 C GLU A 21 -15.757 6.935 -18.502 1.00 0.00 C ATOM 321 O GLU A 21 -14.643 6.601 -18.153 1.00 0.00 O ATOM 322 CB GLU A 21 -14.824 8.081 -20.556 1.00 0.00 C ATOM 323 CG GLU A 21 -15.070 8.332 -22.034 1.00 0.00 C ATOM 324 CD GLU A 21 -13.911 9.134 -22.634 1.00 0.00 C ATOM 325 OE1 GLU A 21 -12.988 9.442 -21.898 1.00 0.00 O ATOM 326 OE2 GLU A 21 -13.966 9.428 -23.815 1.00 0.00 O ATOM 0 H GLU A 21 -16.894 9.255 -19.658 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.268 6.442 -20.509 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.660 9.025 -20.036 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.923 7.482 -20.421 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.175 7.383 -22.559 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.005 8.875 -22.167 1.00 0.00 H new ATOM 333 N GLU A 22 -16.752 6.957 -17.650 1.00 0.00 N ATOM 334 CA GLU A 22 -16.532 6.571 -16.211 1.00 0.00 C ATOM 335 C GLU A 22 -17.015 5.122 -15.981 1.00 0.00 C ATOM 336 O GLU A 22 -17.896 4.637 -16.661 1.00 0.00 O ATOM 337 CB GLU A 22 -17.309 7.566 -15.321 1.00 0.00 C ATOM 338 CG GLU A 22 -16.370 8.667 -14.786 1.00 0.00 C ATOM 339 CD GLU A 22 -15.826 9.491 -15.954 1.00 0.00 C ATOM 340 OE1 GLU A 22 -15.970 9.050 -17.082 1.00 0.00 O ATOM 341 OE2 GLU A 22 -15.272 10.548 -15.701 1.00 0.00 O ATOM 0 H GLU A 22 -17.708 7.225 -17.883 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.473 6.612 -15.957 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.119 8.018 -15.894 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.767 7.035 -14.487 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.909 9.313 -14.092 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.547 8.218 -14.230 1.00 0.00 H new ATOM 348 N LEU A 23 -16.409 4.421 -15.035 1.00 11.68 N ATOM 349 CA LEU A 23 -16.790 2.986 -14.763 1.00 7.71 C ATOM 350 C LEU A 23 -17.480 2.857 -13.396 1.00 8.71 C ATOM 351 O LEU A 23 -16.849 2.986 -12.366 1.00 10.83 O ATOM 352 CB LEU A 23 -15.497 2.133 -14.737 1.00 7.16 C ATOM 353 CG LEU A 23 -15.767 0.615 -14.932 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.050 0.158 -14.229 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.873 0.277 -16.415 1.00 2.00 C ATOM 0 H LEU A 23 -15.665 4.784 -14.439 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.474 2.647 -15.541 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.823 2.480 -15.521 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -14.986 2.286 -13.786 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.923 0.089 -14.485 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.195 -0.910 -14.395 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -16.968 0.351 -13.159 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.901 0.707 -14.632 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -16.062 -0.790 -16.532 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.693 0.842 -16.859 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.940 0.537 -16.915 1.00 2.00 H new ATOM 367 N ASN A 24 -18.751 2.553 -13.372 1.00 0.00 N ATOM 368 CA ASN A 24 -19.450 2.357 -12.061 1.00 0.00 C ATOM 369 C ASN A 24 -19.434 0.854 -11.785 1.00 0.00 C ATOM 370 O ASN A 24 -19.810 0.072 -12.635 1.00 0.00 O ATOM 371 CB ASN A 24 -20.904 2.846 -12.159 1.00 0.00 C ATOM 372 CG ASN A 24 -21.719 2.316 -10.974 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.874 1.972 -11.123 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.161 2.237 -9.797 1.00 0.00 N ATOM 0 H ASN A 24 -19.336 2.432 -14.199 1.00 0.00 H new ATOM 0 HA ASN A 24 -18.958 2.918 -11.266 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -20.929 3.936 -12.170 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.347 2.508 -13.096 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.695 1.886 -9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.191 2.526 -9.672 1.00 0.00 H new ATOM 381 N PHE A 25 -18.982 0.418 -10.636 1.00 6.72 N ATOM 382 CA PHE A 25 -18.943 -1.050 -10.406 1.00 6.82 C ATOM 383 C PHE A 25 -19.047 -1.367 -8.923 1.00 7.56 C ATOM 384 O PHE A 25 -18.506 -0.681 -8.080 1.00 6.07 O ATOM 385 CB PHE A 25 -17.649 -1.634 -10.990 1.00 9.59 C ATOM 386 CG PHE A 25 -16.392 -0.964 -10.427 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.159 0.418 -10.583 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.427 -1.746 -9.782 1.00 11.29 C ATOM 389 CE1 PHE A 25 -14.983 0.993 -10.090 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.251 -1.167 -9.297 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.029 0.201 -9.449 1.00 12.44 C ATOM 0 H PHE A 25 -18.647 1.000 -9.868 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.797 -1.505 -10.908 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.611 -2.703 -10.781 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.661 -1.522 -12.074 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -16.891 1.034 -11.085 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.592 -2.806 -9.658 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -14.813 2.053 -10.206 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.512 -1.781 -8.803 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.121 0.647 -9.072 1.00 12.44 H new ATOM 401 N GLU A 26 -19.752 -2.419 -8.609 1.00 0.00 N ATOM 402 CA GLU A 26 -19.914 -2.817 -7.190 1.00 0.00 C ATOM 403 C GLU A 26 -18.703 -3.648 -6.790 1.00 0.00 C ATOM 404 O GLU A 26 -18.043 -4.240 -7.621 1.00 0.00 O ATOM 405 CB GLU A 26 -21.208 -3.630 -7.019 1.00 0.00 C ATOM 406 CG GLU A 26 -21.045 -5.045 -7.593 1.00 0.00 C ATOM 407 CD GLU A 26 -20.466 -4.967 -9.008 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.962 -4.167 -9.785 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.539 -5.706 -9.289 1.00 0.00 O ATOM 0 H GLU A 26 -20.225 -3.022 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.983 -1.936 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.468 -3.690 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.031 -3.122 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.387 -5.633 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.009 -5.553 -7.612 1.00 0.00 H new ATOM 416 N LYS A 27 -18.397 -3.693 -5.535 1.00 8.66 N ATOM 417 CA LYS A 27 -17.227 -4.474 -5.100 1.00 8.68 C ATOM 418 C LYS A 27 -17.364 -5.916 -5.591 1.00 6.65 C ATOM 419 O LYS A 27 -18.452 -6.444 -5.703 1.00 10.38 O ATOM 420 CB LYS A 27 -17.144 -4.408 -3.577 1.00 12.96 C ATOM 421 CG LYS A 27 -18.240 -5.283 -2.925 1.00 12.48 C ATOM 422 CD LYS A 27 -17.666 -6.655 -2.520 1.00 20.52 C ATOM 423 CE LYS A 27 -16.981 -6.550 -1.152 1.00 28.24 C ATOM 424 NZ LYS A 27 -18.017 -6.499 -0.082 1.00 29.03 N ATOM 0 H LYS A 27 -18.909 -3.221 -4.790 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.309 -4.065 -5.522 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -16.161 -4.745 -3.248 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.254 -3.375 -3.247 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -18.643 -4.777 -2.047 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -19.067 -5.420 -3.622 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.464 -7.396 -2.481 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -16.951 -6.996 -3.269 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.323 -7.405 -0.996 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -16.358 -5.657 -1.113 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -17.586 -6.749 0.831 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -18.412 -5.538 -0.027 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -18.777 -7.174 -0.302 1.00 29.03 H new ATOM 438 N GLY A 28 -16.266 -6.550 -5.905 1.00 5.06 N ATOM 439 CA GLY A 28 -16.327 -7.950 -6.412 1.00 4.39 C ATOM 440 C GLY A 28 -16.586 -7.931 -7.921 1.00 6.18 C ATOM 441 O GLY A 28 -17.399 -8.679 -8.426 1.00 5.61 O ATOM 0 H GLY A 28 -15.328 -6.157 -5.832 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.392 -8.467 -6.198 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -17.119 -8.499 -5.902 1.00 4.39 H new ATOM 445 N GLU A 29 -15.901 -7.075 -8.643 1.00 7.06 N ATOM 446 CA GLU A 29 -16.098 -6.987 -10.127 1.00 6.19 C ATOM 447 C GLU A 29 -14.777 -7.308 -10.837 1.00 6.67 C ATOM 448 O GLU A 29 -13.819 -6.571 -10.742 1.00 8.12 O ATOM 449 CB GLU A 29 -16.516 -5.548 -10.493 1.00 6.64 C ATOM 450 CG GLU A 29 -17.137 -5.432 -11.919 1.00 9.52 C ATOM 451 CD GLU A 29 -16.873 -6.681 -12.775 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.630 -7.629 -12.656 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.925 -6.659 -13.537 1.00 8.99 O ATOM 0 H GLU A 29 -15.208 -6.428 -8.265 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.867 -7.695 -10.435 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.238 -5.189 -9.759 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.645 -4.896 -10.429 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.212 -5.274 -11.833 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.726 -4.557 -12.422 1.00 9.52 H new ATOM 460 N THR A 30 -14.731 -8.380 -11.567 1.00 0.00 N ATOM 461 CA THR A 30 -13.486 -8.722 -12.308 1.00 0.00 C ATOM 462 C THR A 30 -13.369 -7.755 -13.471 1.00 0.00 C ATOM 463 O THR A 30 -14.123 -7.851 -14.417 1.00 0.00 O ATOM 464 CB THR A 30 -13.627 -10.130 -12.888 1.00 0.00 C ATOM 465 OG1 THR A 30 -14.199 -10.991 -11.914 1.00 0.00 O ATOM 466 CG2 THR A 30 -12.254 -10.655 -13.298 1.00 0.00 C ATOM 0 H THR A 30 -15.502 -9.038 -11.685 1.00 0.00 H new ATOM 0 HA THR A 30 -12.620 -8.668 -11.649 1.00 0.00 H new ATOM 0 HB THR A 30 -14.275 -10.097 -13.764 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.290 -11.892 -12.287 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.357 -11.658 -13.711 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.822 -9.995 -14.051 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.601 -10.687 -12.426 1.00 0.00 H new ATOM 474 N MET A 31 -12.450 -6.828 -13.433 1.00 0.00 N ATOM 475 CA MET A 31 -12.338 -5.880 -14.576 1.00 0.00 C ATOM 476 C MET A 31 -11.132 -6.214 -15.428 1.00 0.00 C ATOM 477 O MET A 31 -10.042 -6.473 -14.961 1.00 0.00 O ATOM 478 CB MET A 31 -12.312 -4.432 -14.069 1.00 0.00 C ATOM 479 CG MET A 31 -13.729 -4.037 -13.567 1.00 0.00 C ATOM 480 SD MET A 31 -13.643 -3.469 -11.847 1.00 0.00 S ATOM 481 CE MET A 31 -13.017 -1.808 -12.199 1.00 0.00 C ATOM 0 H MET A 31 -11.783 -6.688 -12.674 1.00 0.00 H new ATOM 0 HA MET A 31 -13.217 -5.983 -15.213 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.586 -4.330 -13.262 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.997 -3.761 -14.868 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.141 -3.250 -14.198 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.402 -4.891 -13.643 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.493 -1.424 -11.324 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.330 -1.850 -13.044 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.851 -1.149 -12.441 1.00 0.00 H new ATOM 491 N GLU A 32 -11.379 -6.225 -16.696 1.00 0.00 N ATOM 492 CA GLU A 32 -10.354 -6.555 -17.702 1.00 0.00 C ATOM 493 C GLU A 32 -9.679 -5.244 -18.114 1.00 0.00 C ATOM 494 O GLU A 32 -10.238 -4.441 -18.832 1.00 0.00 O ATOM 495 CB GLU A 32 -11.072 -7.238 -18.896 1.00 0.00 C ATOM 496 CG GLU A 32 -12.611 -7.097 -18.742 1.00 0.00 C ATOM 497 CD GLU A 32 -13.288 -7.531 -20.041 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.602 -7.607 -21.047 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.482 -7.782 -20.010 1.00 0.00 O ATOM 0 H GLU A 32 -12.293 -6.008 -17.092 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.591 -7.236 -17.324 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.749 -6.784 -19.833 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.798 -8.292 -18.941 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.963 -7.710 -17.912 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.872 -6.065 -18.509 1.00 0.00 H new ATOM 506 N VAL A 33 -8.500 -5.009 -17.616 1.00 0.00 N ATOM 507 CA VAL A 33 -7.806 -3.730 -17.924 1.00 0.00 C ATOM 508 C VAL A 33 -7.506 -3.598 -19.423 1.00 0.00 C ATOM 509 O VAL A 33 -6.471 -4.030 -19.892 1.00 0.00 O ATOM 510 CB VAL A 33 -6.493 -3.664 -17.134 1.00 0.00 C ATOM 511 CG1 VAL A 33 -6.032 -2.206 -17.024 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.716 -4.231 -15.731 1.00 0.00 C ATOM 0 H VAL A 33 -7.986 -5.647 -17.009 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.463 -2.909 -17.638 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.731 -4.248 -17.649 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.099 -2.161 -16.462 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.875 -1.798 -18.022 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.794 -1.621 -16.509 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.784 -4.185 -15.168 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.479 -3.645 -15.219 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.044 -5.268 -15.805 1.00 0.00 H new ATOM 522 N ILE A 34 -8.386 -2.988 -20.179 1.00 0.00 N ATOM 523 CA ILE A 34 -8.110 -2.824 -21.643 1.00 0.00 C ATOM 524 C ILE A 34 -6.815 -2.017 -21.855 1.00 0.00 C ATOM 525 O ILE A 34 -5.957 -2.401 -22.625 1.00 0.00 O ATOM 526 CB ILE A 34 -9.253 -2.062 -22.343 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.527 -2.922 -22.363 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.831 -1.734 -23.790 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.709 -2.117 -22.935 1.00 0.00 C ATOM 0 H ILE A 34 -9.272 -2.601 -19.853 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.017 -3.824 -22.067 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.457 -1.140 -21.798 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.361 -3.815 -22.966 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.762 -3.258 -21.353 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.636 -1.195 -24.290 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.934 -1.115 -23.776 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.625 -2.660 -24.328 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.604 -2.740 -22.943 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.884 -1.238 -22.315 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.477 -1.803 -23.953 1.00 0.00 H new ATOM 541 N GLU A 35 -6.685 -0.880 -21.210 1.00 0.00 N ATOM 542 CA GLU A 35 -5.468 -0.036 -21.419 1.00 0.00 C ATOM 543 C GLU A 35 -5.104 0.704 -20.148 1.00 0.00 C ATOM 544 O GLU A 35 -5.913 0.892 -19.262 1.00 0.00 O ATOM 545 CB GLU A 35 -5.743 0.982 -22.540 1.00 0.00 C ATOM 546 CG GLU A 35 -4.423 1.453 -23.160 1.00 0.00 C ATOM 547 CD GLU A 35 -3.873 0.365 -24.086 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.622 -0.105 -24.924 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.711 0.020 -23.936 1.00 0.00 O ATOM 0 H GLU A 35 -7.367 -0.503 -20.551 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.636 -0.684 -21.696 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.372 0.530 -23.306 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.291 1.835 -22.140 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.581 2.375 -23.719 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.700 1.676 -22.375 1.00 0.00 H new ATOM 556 N LYS A 36 -3.857 1.097 -20.050 1.00 0.00 N ATOM 557 CA LYS A 36 -3.377 1.801 -18.831 1.00 0.00 C ATOM 558 C LYS A 36 -2.517 3.023 -19.208 1.00 0.00 C ATOM 559 O LYS A 36 -1.345 3.060 -18.894 1.00 0.00 O ATOM 560 CB LYS A 36 -2.518 0.801 -18.027 1.00 0.00 C ATOM 561 CG LYS A 36 -3.132 -0.620 -18.096 1.00 0.00 C ATOM 562 CD LYS A 36 -2.534 -1.425 -19.266 1.00 0.00 C ATOM 563 CE LYS A 36 -3.417 -2.649 -19.564 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.814 -2.227 -19.856 1.00 0.00 N ATOM 0 H LYS A 36 -3.149 0.957 -20.771 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.227 2.153 -18.247 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.503 0.784 -18.423 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.450 1.124 -16.988 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.949 -1.145 -17.158 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.213 -0.547 -18.215 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.460 -0.795 -20.152 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.523 -1.747 -19.018 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.012 -3.198 -20.414 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.407 -3.328 -18.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.472 -2.976 -19.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.029 -1.353 -19.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.919 -2.056 -20.877 1.00 0.00 H new ATOM 578 N PRO A 37 -3.122 4.012 -19.835 1.00 0.00 N ATOM 579 CA PRO A 37 -2.410 5.243 -20.200 1.00 0.00 C ATOM 580 C PRO A 37 -2.197 6.083 -18.947 1.00 0.00 C ATOM 581 O PRO A 37 -2.813 5.868 -17.922 1.00 0.00 O ATOM 582 CB PRO A 37 -3.341 5.977 -21.177 1.00 0.00 C ATOM 583 CG PRO A 37 -4.724 5.300 -21.058 1.00 0.00 C ATOM 584 CD PRO A 37 -4.538 3.990 -20.250 1.00 0.00 C ATOM 0 HA PRO A 37 -1.435 5.047 -20.646 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.405 7.037 -20.930 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.963 5.910 -22.197 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.432 5.961 -20.558 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.131 5.086 -22.046 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.204 3.957 -19.388 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.760 3.113 -20.858 1.00 0.00 H new ATOM 592 N GLU A 38 -1.342 7.047 -19.036 1.00 0.00 N ATOM 593 CA GLU A 38 -1.091 7.932 -17.861 1.00 0.00 C ATOM 594 C GLU A 38 -2.027 9.135 -17.959 1.00 0.00 C ATOM 595 O GLU A 38 -2.678 9.498 -17.004 1.00 0.00 O ATOM 596 CB GLU A 38 0.368 8.406 -17.883 1.00 0.00 C ATOM 597 CG GLU A 38 0.725 9.098 -16.558 1.00 0.00 C ATOM 598 CD GLU A 38 0.184 10.534 -16.546 1.00 0.00 C ATOM 599 OE1 GLU A 38 -0.232 11.006 -17.591 1.00 0.00 O ATOM 600 OE2 GLU A 38 0.199 11.135 -15.485 1.00 0.00 O ATOM 0 H GLU A 38 -0.799 7.269 -19.871 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.273 7.392 -16.932 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.031 7.556 -18.047 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.521 9.095 -18.714 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.306 8.537 -15.722 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.807 9.108 -16.425 1.00 0.00 H new ATOM 607 N ASN A 39 -2.104 9.724 -19.132 1.00 0.00 N ATOM 608 CA ASN A 39 -2.995 10.902 -19.376 1.00 0.00 C ATOM 609 C ASN A 39 -2.641 12.035 -18.413 1.00 0.00 C ATOM 610 O ASN A 39 -2.256 13.113 -18.821 1.00 0.00 O ATOM 611 CB ASN A 39 -4.463 10.490 -19.188 1.00 0.00 C ATOM 612 CG ASN A 39 -4.961 9.760 -20.439 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.230 9.598 -21.394 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.186 9.308 -20.471 1.00 0.00 N ATOM 0 H ASN A 39 -1.571 9.427 -19.950 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.851 11.252 -20.398 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.560 9.844 -18.316 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.077 11.371 -19.002 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.528 8.819 -21.298 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.801 9.444 -19.669 1.00 0.00 H new ATOM 621 N ASP A 40 -2.739 11.771 -17.146 1.00 0.00 N ATOM 622 CA ASP A 40 -2.396 12.789 -16.107 1.00 0.00 C ATOM 623 C ASP A 40 -2.912 12.396 -14.696 1.00 0.00 C ATOM 624 O ASP A 40 -2.171 12.484 -13.736 1.00 0.00 O ATOM 625 CB ASP A 40 -2.872 14.224 -16.504 1.00 0.00 C ATOM 626 CG ASP A 40 -1.676 15.081 -16.949 1.00 0.00 C ATOM 627 OD1 ASP A 40 -0.765 14.529 -17.545 1.00 0.00 O ATOM 628 OD2 ASP A 40 -1.694 16.272 -16.686 1.00 0.00 O ATOM 0 H ASP A 40 -3.049 10.874 -16.772 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.307 12.809 -16.056 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.603 14.162 -17.310 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.371 14.696 -15.657 1.00 0.00 H new ATOM 633 N PRO A 41 -4.143 11.994 -14.608 1.00 0.00 N ATOM 634 CA PRO A 41 -4.761 11.605 -13.329 1.00 0.00 C ATOM 635 C PRO A 41 -4.130 10.302 -12.818 1.00 0.00 C ATOM 636 O PRO A 41 -3.570 10.281 -11.744 1.00 0.00 O ATOM 637 CB PRO A 41 -6.257 11.405 -13.669 1.00 0.00 C ATOM 638 CG PRO A 41 -6.409 11.591 -15.207 1.00 0.00 C ATOM 639 CD PRO A 41 -5.006 11.898 -15.766 1.00 0.00 C ATOM 0 HA PRO A 41 -4.619 12.347 -12.544 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.591 10.412 -13.367 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.873 12.126 -13.132 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.818 10.691 -15.666 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.099 12.404 -15.430 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.671 11.110 -16.441 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.005 12.828 -16.335 1.00 0.00 H new ATOM 647 N GLU A 42 -4.239 9.244 -13.609 1.00 0.00 N ATOM 648 CA GLU A 42 -3.683 7.876 -13.271 1.00 0.00 C ATOM 649 C GLU A 42 -4.779 6.818 -13.522 1.00 0.00 C ATOM 650 O GLU A 42 -4.637 5.665 -13.176 1.00 0.00 O ATOM 651 CB GLU A 42 -3.206 7.784 -11.803 1.00 0.00 C ATOM 652 CG GLU A 42 -2.622 6.387 -11.510 1.00 0.00 C ATOM 653 CD GLU A 42 -1.774 6.429 -10.232 1.00 0.00 C ATOM 654 OE1 GLU A 42 -1.972 7.338 -9.443 1.00 0.00 O ATOM 655 OE2 GLU A 42 -0.941 5.554 -10.070 1.00 0.00 O ATOM 0 H GLU A 42 -4.711 9.276 -14.513 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.816 7.697 -13.907 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.452 8.547 -11.611 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.040 7.984 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.429 5.663 -11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.012 6.056 -12.350 1.00 0.00 H new ATOM 662 N TRP A 43 -5.872 7.204 -14.132 1.00 14.29 N ATOM 663 CA TRP A 43 -6.971 6.225 -14.400 1.00 10.30 C ATOM 664 C TRP A 43 -6.559 5.247 -15.510 1.00 6.82 C ATOM 665 O TRP A 43 -5.592 5.463 -16.211 1.00 6.91 O ATOM 666 CB TRP A 43 -8.230 6.979 -14.825 1.00 13.39 C ATOM 667 CG TRP A 43 -8.468 8.141 -13.916 1.00 11.71 C ATOM 668 CD1 TRP A 43 -7.898 8.319 -12.703 1.00 13.93 C ATOM 669 CD2 TRP A 43 -9.343 9.286 -14.123 1.00 7.44 C ATOM 670 NE1 TRP A 43 -8.364 9.494 -12.157 1.00 6.63 N ATOM 671 CE2 TRP A 43 -9.256 10.128 -12.993 1.00 8.43 C ATOM 672 CE3 TRP A 43 -10.194 9.675 -15.175 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -9.983 11.309 -12.903 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -10.932 10.867 -15.085 1.00 2.36 C ATOM 675 CH2 TRP A 43 -10.825 11.683 -13.952 1.00 8.17 C ATOM 0 H TRP A 43 -6.051 8.154 -14.456 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.169 5.659 -13.490 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.124 7.327 -15.852 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.089 6.309 -14.802 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.191 7.648 -12.237 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -8.083 9.851 -11.244 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -10.280 9.054 -16.055 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -9.897 11.934 -12.026 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.586 11.156 -15.895 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -11.393 12.600 -13.890 1.00 8.17 H new ATOM 686 N TRP A 44 -7.295 4.168 -15.658 1.00 6.17 N ATOM 687 CA TRP A 44 -6.973 3.134 -16.698 1.00 5.58 C ATOM 688 C TRP A 44 -8.234 2.826 -17.513 1.00 6.91 C ATOM 689 O TRP A 44 -9.322 2.758 -16.974 1.00 8.86 O ATOM 690 CB TRP A 44 -6.574 1.814 -15.994 1.00 2.99 C ATOM 691 CG TRP A 44 -5.131 1.753 -15.558 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.160 2.679 -15.772 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.489 0.663 -14.826 1.00 5.23 C ATOM 694 NE1 TRP A 44 -2.979 2.221 -15.212 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.131 0.988 -14.622 1.00 9.27 C ATOM 696 CE3 TRP A 44 -4.957 -0.564 -14.322 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.265 0.128 -13.947 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.091 -1.433 -13.641 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.746 -1.089 -13.455 1.00 11.72 C ATOM 0 H TRP A 44 -8.118 3.957 -15.093 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.170 3.510 -17.332 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.211 1.675 -15.121 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.773 0.982 -16.669 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.288 3.617 -16.292 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.100 2.737 -15.235 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -5.992 -0.840 -14.460 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.230 0.400 -13.805 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.463 -2.372 -13.258 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.082 -1.762 -12.933 1.00 11.72 H new ATOM 710 N LYS A 45 -8.104 2.555 -18.789 1.00 0.00 N ATOM 711 CA LYS A 45 -9.311 2.166 -19.560 1.00 0.00 C ATOM 712 C LYS A 45 -9.548 0.711 -19.225 1.00 0.00 C ATOM 713 O LYS A 45 -8.918 -0.160 -19.785 1.00 0.00 O ATOM 714 CB LYS A 45 -9.094 2.278 -21.077 1.00 0.00 C ATOM 715 CG LYS A 45 -8.803 3.762 -21.444 1.00 0.00 C ATOM 716 CD LYS A 45 -8.561 3.897 -22.965 1.00 0.00 C ATOM 717 CE LYS A 45 -8.209 5.348 -23.316 1.00 0.00 C ATOM 718 NZ LYS A 45 -9.391 6.220 -23.068 1.00 0.00 N ATOM 0 H LYS A 45 -7.231 2.587 -19.316 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.144 2.821 -19.303 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.262 1.645 -21.385 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.977 1.926 -21.610 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.642 4.390 -21.145 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.929 4.115 -20.896 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.753 3.234 -23.273 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.452 3.588 -23.512 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.364 5.684 -22.715 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.905 5.417 -24.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.241 7.145 -23.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.242 5.774 -23.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.517 6.351 -22.044 1.00 0.00 H new ATOM 732 N CYS A 46 -10.410 0.431 -18.292 1.00 0.00 N ATOM 733 CA CYS A 46 -10.644 -0.985 -17.901 1.00 0.00 C ATOM 734 C CYS A 46 -12.061 -1.393 -18.221 1.00 0.00 C ATOM 735 O CYS A 46 -13.019 -0.749 -17.833 1.00 0.00 O ATOM 736 CB CYS A 46 -10.395 -1.146 -16.401 1.00 0.00 C ATOM 737 SG CYS A 46 -11.761 -0.404 -15.473 1.00 0.00 S ATOM 0 H CYS A 46 -10.963 1.120 -17.783 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.959 -1.622 -18.461 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.303 -2.203 -16.149 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.454 -0.670 -16.125 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.687 -0.016 -16.299 1.00 0.00 H new ATOM 743 N LYS A 47 -12.205 -2.484 -18.904 1.00 0.00 N ATOM 744 CA LYS A 47 -13.558 -2.970 -19.224 1.00 0.00 C ATOM 745 C LYS A 47 -14.040 -3.730 -18.006 1.00 0.00 C ATOM 746 O LYS A 47 -13.233 -4.298 -17.302 1.00 0.00 O ATOM 747 CB LYS A 47 -13.491 -3.918 -20.423 1.00 0.00 C ATOM 748 CG LYS A 47 -14.803 -4.702 -20.558 1.00 0.00 C ATOM 749 CD LYS A 47 -14.875 -5.349 -21.943 1.00 0.00 C ATOM 750 CE LYS A 47 -16.220 -6.058 -22.105 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.407 -6.458 -23.527 1.00 0.00 N ATOM 0 H LYS A 47 -11.440 -3.060 -19.254 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.228 -2.147 -19.471 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.304 -3.350 -21.334 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.657 -4.610 -20.302 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.862 -5.468 -19.784 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.653 -4.036 -20.412 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.756 -4.591 -22.717 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.059 -6.061 -22.066 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.259 -6.937 -21.462 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.030 -5.399 -21.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.322 -6.940 -23.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.388 -5.612 -24.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.641 -7.102 -23.810 1.00 0.00 H new ATOM 765 N ASN A 48 -15.323 -3.781 -17.725 1.00 0.00 N ATOM 766 CA ASN A 48 -15.735 -4.594 -16.523 1.00 0.00 C ATOM 767 C ASN A 48 -16.151 -5.974 -17.029 1.00 0.00 C ATOM 768 O ASN A 48 -16.907 -6.070 -17.967 1.00 0.00 O ATOM 769 CB ASN A 48 -16.835 -3.889 -15.680 1.00 0.00 C ATOM 770 CG ASN A 48 -18.250 -3.921 -16.284 1.00 0.00 C ATOM 771 OD1 ASN A 48 -19.035 -3.044 -15.998 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.646 -4.897 -17.042 1.00 0.00 N ATOM 0 H ASN A 48 -16.072 -3.322 -18.243 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.900 -4.699 -15.831 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.868 -4.354 -14.695 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.545 -2.849 -15.532 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.606 -4.918 -17.387 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.998 -5.644 -17.292 1.00 0.00 H new ATOM 779 N ALA A 49 -15.634 -7.069 -16.489 1.00 0.00 N ATOM 780 CA ALA A 49 -16.048 -8.382 -17.049 1.00 0.00 C ATOM 781 C ALA A 49 -17.572 -8.418 -17.088 1.00 0.00 C ATOM 782 O ALA A 49 -18.171 -9.185 -17.817 1.00 0.00 O ATOM 783 CB ALA A 49 -15.526 -9.527 -16.180 1.00 0.00 C ATOM 0 H ALA A 49 -14.970 -7.098 -15.715 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.635 -8.503 -18.050 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.840 -10.480 -16.607 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.437 -9.487 -16.141 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.928 -9.431 -15.172 1.00 0.00 H new ATOM 789 N ARG A 50 -18.203 -7.555 -16.334 1.00 0.00 N ATOM 790 CA ARG A 50 -19.686 -7.506 -16.364 1.00 0.00 C ATOM 791 C ARG A 50 -20.072 -7.065 -17.773 1.00 0.00 C ATOM 792 O ARG A 50 -21.225 -7.050 -18.157 1.00 0.00 O ATOM 793 CB ARG A 50 -20.208 -6.527 -15.281 1.00 0.00 C ATOM 794 CG ARG A 50 -20.659 -7.315 -14.026 1.00 0.00 C ATOM 795 CD ARG A 50 -20.731 -6.399 -12.770 1.00 0.00 C ATOM 796 NE ARG A 50 -22.085 -6.493 -12.117 1.00 0.00 N ATOM 797 CZ ARG A 50 -23.193 -6.307 -12.788 1.00 0.00 C ATOM 798 NH1 ARG A 50 -23.155 -5.952 -14.042 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.344 -6.454 -12.192 1.00 0.00 N ATOM 0 H ARG A 50 -17.755 -6.889 -15.705 1.00 0.00 H new ATOM 0 HA ARG A 50 -20.133 -8.475 -16.141 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.425 -5.818 -15.013 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -21.042 -5.947 -15.675 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.637 -7.762 -14.208 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.964 -8.134 -13.841 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.958 -6.689 -12.058 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.531 -5.366 -13.055 1.00 0.00 H new ATOM 0 HE ARG A 50 -22.140 -6.708 -11.121 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.257 -5.817 -14.507 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -24.023 -5.809 -14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.378 -6.713 -11.206 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.210 -6.310 -12.712 1.00 0.00 H new ATOM 813 N GLY A 51 -19.071 -6.755 -18.554 1.00 8.07 N ATOM 814 CA GLY A 51 -19.277 -6.360 -19.967 1.00 7.79 C ATOM 815 C GLY A 51 -19.385 -4.836 -20.137 1.00 9.08 C ATOM 816 O GLY A 51 -20.105 -4.373 -21.000 1.00 14.41 O ATOM 0 H GLY A 51 -18.095 -6.761 -18.257 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.449 -6.733 -20.571 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -20.185 -6.831 -20.345 1.00 7.79 H new ATOM 820 N GLN A 52 -18.681 -4.037 -19.349 1.00 0.00 N ATOM 821 CA GLN A 52 -18.782 -2.537 -19.540 1.00 0.00 C ATOM 822 C GLN A 52 -17.420 -1.859 -19.438 1.00 0.00 C ATOM 823 O GLN A 52 -16.473 -2.438 -18.997 1.00 0.00 O ATOM 824 CB GLN A 52 -19.835 -1.940 -18.557 1.00 0.00 C ATOM 825 CG GLN A 52 -19.236 -0.844 -17.658 1.00 0.00 C ATOM 826 CD GLN A 52 -20.260 -0.421 -16.621 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.710 -1.215 -15.821 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.645 0.819 -16.608 1.00 0.00 N ATOM 0 H GLN A 52 -18.058 -4.346 -18.603 1.00 0.00 H new ATOM 0 HA GLN A 52 -19.132 -2.337 -20.553 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.667 -1.526 -19.126 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.241 -2.737 -17.934 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.337 -1.214 -17.166 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.939 0.014 -18.262 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.261 1.479 -17.284 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.331 1.133 -15.922 1.00 0.00 H new ATOM 837 N VAL A 53 -17.314 -0.625 -19.895 1.00 0.00 N ATOM 838 CA VAL A 53 -15.987 0.072 -19.866 1.00 0.00 C ATOM 839 C VAL A 53 -16.083 1.492 -19.306 1.00 0.00 C ATOM 840 O VAL A 53 -17.108 2.143 -19.359 1.00 0.00 O ATOM 841 CB VAL A 53 -15.421 0.146 -21.294 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.918 0.427 -21.247 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.676 -1.173 -22.032 1.00 0.00 C ATOM 0 H VAL A 53 -18.084 -0.079 -20.282 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.334 -0.504 -19.211 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.921 0.955 -21.827 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.525 0.478 -22.263 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.741 1.376 -20.742 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.415 -0.373 -20.703 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.271 -1.109 -23.042 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.190 -1.989 -21.497 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.749 -1.360 -22.082 1.00 0.00 H new ATOM 853 N GLY A 54 -14.983 1.958 -18.773 1.00 3.62 N ATOM 854 CA GLY A 54 -14.920 3.332 -18.192 1.00 3.70 C ATOM 855 C GLY A 54 -13.575 3.517 -17.476 1.00 4.69 C ATOM 856 O GLY A 54 -12.946 2.565 -17.061 1.00 7.25 O ATOM 0 H GLY A 54 -14.110 1.434 -18.715 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -15.032 4.078 -18.979 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.742 3.482 -17.492 1.00 3.70 H new ATOM 860 N LEU A 55 -13.141 4.736 -17.316 1.00 0.00 N ATOM 861 CA LEU A 55 -11.846 4.993 -16.613 1.00 0.00 C ATOM 862 C LEU A 55 -12.040 4.726 -15.114 1.00 0.00 C ATOM 863 O LEU A 55 -13.127 4.871 -14.590 1.00 0.00 O ATOM 864 CB LEU A 55 -11.445 6.462 -16.849 1.00 0.00 C ATOM 865 CG LEU A 55 -10.604 6.592 -18.133 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.247 5.857 -17.987 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.399 6.013 -19.309 1.00 0.00 C ATOM 0 H LEU A 55 -13.627 5.571 -17.642 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.060 4.340 -16.993 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.339 7.081 -16.928 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.876 6.831 -15.996 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.391 7.646 -18.314 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.674 5.965 -18.908 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.687 6.289 -17.158 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.425 4.799 -17.792 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.812 6.100 -20.223 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.619 4.963 -19.118 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.333 6.564 -19.423 1.00 0.00 H new ATOM 879 N VAL A 56 -11.005 4.322 -14.417 1.00 0.00 N ATOM 880 CA VAL A 56 -11.156 4.035 -12.956 1.00 0.00 C ATOM 881 C VAL A 56 -9.779 4.175 -12.262 1.00 0.00 C ATOM 882 O VAL A 56 -8.801 3.687 -12.793 1.00 0.00 O ATOM 883 CB VAL A 56 -11.679 2.590 -12.804 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.547 1.577 -13.018 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.268 2.386 -11.410 1.00 0.00 C ATOM 0 H VAL A 56 -10.068 4.179 -14.794 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.854 4.735 -12.496 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.450 2.432 -13.558 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.938 0.566 -12.906 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.135 1.698 -14.020 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.763 1.746 -12.280 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.633 1.363 -11.315 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.498 2.567 -10.660 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.093 3.082 -11.258 1.00 0.00 H new ATOM 895 N PRO A 57 -9.709 4.806 -11.095 1.00 3.33 N ATOM 896 CA PRO A 57 -8.418 4.933 -10.396 1.00 2.75 C ATOM 897 C PRO A 57 -7.767 3.546 -10.294 1.00 4.32 C ATOM 898 O PRO A 57 -8.269 2.657 -9.636 1.00 4.76 O ATOM 899 CB PRO A 57 -8.766 5.520 -9.008 1.00 2.92 C ATOM 900 CG PRO A 57 -10.276 5.897 -9.033 1.00 3.30 C ATOM 901 CD PRO A 57 -10.854 5.426 -10.389 1.00 2.53 C ATOM 0 HA PRO A 57 -7.704 5.576 -10.912 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.564 4.793 -8.221 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.154 6.397 -8.797 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -10.803 5.421 -8.206 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.404 6.973 -8.915 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.664 4.711 -10.246 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.263 6.262 -10.956 1.00 2.53 H new ATOM 909 N LYS A 58 -6.666 3.358 -10.963 1.00 0.00 N ATOM 910 CA LYS A 58 -5.982 2.036 -10.943 1.00 0.00 C ATOM 911 C LYS A 58 -5.572 1.660 -9.514 1.00 0.00 C ATOM 912 O LYS A 58 -4.955 0.638 -9.292 1.00 0.00 O ATOM 913 CB LYS A 58 -4.744 2.114 -11.846 1.00 0.00 C ATOM 914 CG LYS A 58 -3.457 2.351 -11.004 1.00 0.00 C ATOM 915 CD LYS A 58 -2.307 2.854 -11.897 1.00 0.00 C ATOM 916 CE LYS A 58 -0.989 2.840 -11.114 1.00 0.00 C ATOM 917 NZ LYS A 58 0.077 3.495 -11.924 1.00 0.00 N ATOM 0 H LYS A 58 -6.206 4.071 -11.529 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.663 1.267 -11.308 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.646 1.190 -12.416 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.865 2.922 -12.567 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.659 3.079 -10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.163 1.424 -10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.220 2.223 -12.782 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.522 3.864 -12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.112 3.362 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.704 1.814 -10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.975 2.987 -11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.188 3.473 -12.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.189 4.482 -11.617 1.00 0.00 H new ATOM 931 N ASN A 59 -5.916 2.470 -8.547 1.00 10.56 N ATOM 932 CA ASN A 59 -5.553 2.160 -7.125 1.00 9.74 C ATOM 933 C ASN A 59 -6.786 1.607 -6.396 1.00 9.95 C ATOM 934 O ASN A 59 -6.703 1.162 -5.269 1.00 8.95 O ATOM 935 CB ASN A 59 -5.071 3.449 -6.434 1.00 10.40 C ATOM 936 CG ASN A 59 -3.707 3.855 -6.997 1.00 12.58 C ATOM 937 OD1 ASN A 59 -3.015 3.047 -7.584 1.00 14.84 O ATOM 938 ND2 ASN A 59 -3.290 5.082 -6.846 1.00 14.09 N ATOM 0 H ASN A 59 -6.435 3.338 -8.678 1.00 10.56 H new ATOM 0 HA ASN A 59 -4.757 1.416 -7.098 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -5.793 4.250 -6.591 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -4.999 3.292 -5.358 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -2.384 5.362 -7.221 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -3.870 5.761 -6.353 1.00 14.09 H new ATOM 945 N TYR A 60 -7.926 1.637 -7.031 1.00 10.23 N ATOM 946 CA TYR A 60 -9.170 1.122 -6.380 1.00 5.50 C ATOM 947 C TYR A 60 -9.320 -0.377 -6.676 1.00 5.21 C ATOM 948 O TYR A 60 -10.336 -0.974 -6.385 1.00 7.16 O ATOM 949 CB TYR A 60 -10.383 1.878 -6.958 1.00 3.37 C ATOM 950 CG TYR A 60 -10.601 3.185 -6.220 1.00 2.00 C ATOM 951 CD1 TYR A 60 -9.517 4.013 -5.911 1.00 4.04 C ATOM 952 CD2 TYR A 60 -11.897 3.568 -5.858 1.00 2.00 C ATOM 953 CE1 TYR A 60 -9.729 5.223 -5.239 1.00 4.04 C ATOM 954 CE2 TYR A 60 -12.111 4.775 -5.186 1.00 2.69 C ATOM 955 CZ TYR A 60 -11.026 5.605 -4.876 1.00 4.45 C ATOM 956 OH TYR A 60 -11.236 6.798 -4.215 1.00 9.52 O ATOM 0 H TYR A 60 -8.052 1.997 -7.977 1.00 10.23 H new ATOM 0 HA TYR A 60 -9.113 1.274 -5.302 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.223 2.075 -8.018 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.276 1.257 -6.880 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -8.516 3.719 -6.191 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -12.734 2.930 -6.098 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -8.892 5.862 -5.001 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -13.112 5.067 -4.906 1.00 2.69 H new ATOM 0 HH TYR A 60 -12.193 6.910 -4.039 1.00 9.52 H new ATOM 966 N VAL A 61 -8.324 -0.987 -7.263 1.00 5.00 N ATOM 967 CA VAL A 61 -8.415 -2.441 -7.590 1.00 4.84 C ATOM 968 C VAL A 61 -7.026 -3.077 -7.485 1.00 5.03 C ATOM 969 O VAL A 61 -6.019 -2.410 -7.612 1.00 5.61 O ATOM 970 CB VAL A 61 -8.944 -2.608 -9.025 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.299 -1.913 -9.161 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.960 -1.979 -10.020 1.00 2.97 C ATOM 0 H VAL A 61 -7.448 -0.539 -7.531 1.00 5.00 H new ATOM 0 HA VAL A 61 -9.093 -2.929 -6.890 1.00 4.84 H new ATOM 0 HB VAL A 61 -9.052 -3.671 -9.238 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.669 -2.034 -10.179 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -11.008 -2.357 -8.462 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.187 -0.852 -8.939 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.340 -2.101 -11.034 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.848 -0.917 -9.799 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -6.991 -2.471 -9.934 1.00 2.97 H new ATOM 982 N VAL A 62 -6.966 -4.370 -7.270 1.00 0.00 N ATOM 983 CA VAL A 62 -5.637 -5.066 -7.175 1.00 0.00 C ATOM 984 C VAL A 62 -5.430 -5.880 -8.449 1.00 0.00 C ATOM 985 O VAL A 62 -6.365 -6.171 -9.148 1.00 0.00 O ATOM 986 CB VAL A 62 -5.621 -6.009 -5.971 1.00 0.00 C ATOM 987 CG1 VAL A 62 -6.871 -6.891 -5.991 1.00 0.00 C ATOM 988 CG2 VAL A 62 -4.377 -6.895 -6.031 1.00 0.00 C ATOM 0 H VAL A 62 -7.779 -4.976 -7.156 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.844 -4.328 -7.056 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.606 -5.420 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.857 -7.562 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.760 -6.263 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.888 -7.478 -6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.367 -7.566 -5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.392 -7.481 -6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.484 -6.270 -6.013 1.00 0.00 H new ATOM 998 N VAL A 63 -4.214 -6.246 -8.751 1.00 0.00 N ATOM 999 CA VAL A 63 -3.938 -7.046 -9.991 1.00 0.00 C ATOM 1000 C VAL A 63 -3.589 -8.485 -9.609 1.00 0.00 C ATOM 1001 O VAL A 63 -2.812 -8.732 -8.709 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.764 -6.421 -10.748 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -2.301 -7.366 -11.859 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -3.209 -5.092 -11.364 1.00 0.00 C ATOM 0 H VAL A 63 -3.390 -6.026 -8.191 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.824 -7.046 -10.626 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.940 -6.249 -10.056 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.465 -6.916 -12.395 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.984 -8.313 -11.422 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.123 -7.543 -12.552 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.375 -4.644 -11.904 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.035 -5.269 -12.053 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.535 -4.416 -10.574 1.00 0.00 H new ATOM 1014 N LEU A 64 -4.169 -9.441 -10.296 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.894 -10.881 -9.995 1.00 0.00 C ATOM 1016 C LEU A 64 -2.977 -11.459 -11.081 1.00 0.00 C ATOM 1017 O LEU A 64 -1.864 -11.866 -10.810 1.00 0.00 O ATOM 1018 CB LEU A 64 -5.225 -11.651 -9.970 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.869 -11.579 -8.568 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -6.202 -10.122 -8.190 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -7.149 -12.425 -8.545 1.00 0.00 C ATOM 0 H LEU A 64 -4.827 -9.283 -11.059 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.404 -10.973 -9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.907 -11.234 -10.711 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.054 -12.692 -10.245 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.157 -11.969 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.654 -10.098 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.287 -9.529 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.900 -9.708 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.602 -12.373 -7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.851 -12.043 -9.286 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.904 -13.461 -8.778 1.00 0.00 H new ATOM 1033 N SER A 65 -3.430 -11.501 -12.307 1.00 0.00 N ATOM 1034 CA SER A 65 -2.572 -12.057 -13.396 1.00 0.00 C ATOM 1035 C SER A 65 -1.412 -11.097 -13.670 1.00 0.00 C ATOM 1036 O SER A 65 -1.519 -9.905 -13.466 1.00 0.00 O ATOM 1037 CB SER A 65 -3.403 -12.246 -14.670 1.00 0.00 C ATOM 1038 OG SER A 65 -4.128 -11.052 -14.933 1.00 0.00 O ATOM 0 H SER A 65 -4.351 -11.176 -12.600 1.00 0.00 H new ATOM 0 HA SER A 65 -2.176 -13.024 -13.086 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.752 -12.484 -15.512 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.089 -13.084 -14.551 1.00 0.00 H new ATOM 0 HG SER A 65 -4.598 -11.136 -15.789 1.00 0.00 H new ATOM 1044 N ASP A 66 -0.300 -11.611 -14.128 1.00 0.00 N ATOM 1045 CA ASP A 66 0.876 -10.732 -14.413 1.00 0.00 C ATOM 1046 C ASP A 66 1.650 -11.294 -15.608 1.00 0.00 C ATOM 1047 O ASP A 66 1.631 -12.480 -15.870 1.00 0.00 O ATOM 1048 CB ASP A 66 1.787 -10.695 -13.184 1.00 0.00 C ATOM 1049 CG ASP A 66 1.141 -9.837 -12.094 1.00 0.00 C ATOM 1050 OD1 ASP A 66 0.304 -9.017 -12.429 1.00 0.00 O ATOM 1051 OD2 ASP A 66 1.499 -10.013 -10.940 1.00 0.00 O ATOM 0 H ASP A 66 -0.154 -12.603 -14.318 1.00 0.00 H new ATOM 0 HA ASP A 66 0.535 -9.723 -14.644 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.956 -11.706 -12.813 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.761 -10.287 -13.453 1.00 0.00 H new ATOM 1056 N GLY A 67 2.333 -10.451 -16.334 1.00 0.00 N ATOM 1057 CA GLY A 67 3.109 -10.936 -17.512 1.00 0.00 C ATOM 1058 C GLY A 67 4.472 -11.471 -17.047 1.00 0.00 C ATOM 1059 O GLY A 67 4.720 -12.657 -17.133 1.00 0.00 O ATOM 0 H GLY A 67 2.387 -9.447 -16.163 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.555 -11.721 -18.027 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.250 -10.125 -18.226 1.00 0.00 H new ATOM 1063 N PRO A 68 5.323 -10.589 -16.564 1.00 0.00 N ATOM 1064 CA PRO A 68 6.657 -10.993 -16.084 1.00 0.00 C ATOM 1065 C PRO A 68 6.511 -12.012 -14.944 1.00 0.00 C ATOM 1066 O PRO A 68 6.395 -11.652 -13.790 1.00 0.00 O ATOM 1067 CB PRO A 68 7.319 -9.681 -15.592 1.00 0.00 C ATOM 1068 CG PRO A 68 6.281 -8.535 -15.779 1.00 0.00 C ATOM 1069 CD PRO A 68 5.031 -9.141 -16.456 1.00 0.00 C ATOM 0 HA PRO A 68 7.259 -11.473 -16.855 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.610 -9.768 -14.545 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.226 -9.473 -16.159 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.020 -8.095 -14.817 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.699 -7.736 -16.392 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.134 -8.962 -15.863 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.859 -8.698 -17.437 1.00 0.00 H new ATOM 1077 N ALA A 69 6.533 -13.282 -15.267 1.00 0.00 N ATOM 1078 CA ALA A 69 6.416 -14.343 -14.227 1.00 0.00 C ATOM 1079 C ALA A 69 7.724 -15.121 -14.199 1.00 0.00 C ATOM 1080 O ALA A 69 7.857 -16.173 -14.788 1.00 0.00 O ATOM 1081 CB ALA A 69 5.269 -15.290 -14.589 1.00 0.00 C ATOM 0 H ALA A 69 6.628 -13.630 -16.221 1.00 0.00 H new ATOM 0 HA ALA A 69 6.215 -13.898 -13.252 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.184 -16.066 -13.828 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.336 -14.729 -14.641 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.469 -15.751 -15.556 1.00 0.00 H new ATOM 1087 N LEU A 70 8.686 -14.598 -13.509 1.00 0.00 N ATOM 1088 CA LEU A 70 10.008 -15.278 -13.410 1.00 0.00 C ATOM 1089 C LEU A 70 9.961 -16.315 -12.288 1.00 0.00 C ATOM 1090 O LEU A 70 9.639 -16.006 -11.159 1.00 0.00 O ATOM 1091 CB LEU A 70 11.094 -14.239 -13.103 1.00 0.00 C ATOM 1092 CG LEU A 70 11.341 -13.343 -14.334 1.00 0.00 C ATOM 1093 CD1 LEU A 70 11.919 -11.996 -13.888 1.00 0.00 C ATOM 1094 CD2 LEU A 70 12.334 -14.015 -15.294 1.00 0.00 C ATOM 0 H LEU A 70 8.618 -13.717 -13.000 1.00 0.00 H new ATOM 0 HA LEU A 70 10.236 -15.773 -14.354 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.791 -13.626 -12.254 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.018 -14.742 -12.820 1.00 0.00 H new ATOM 0 HG LEU A 70 10.390 -13.190 -14.845 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.092 -11.367 -14.761 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.215 -11.502 -13.218 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.862 -12.159 -13.367 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.498 -13.371 -16.158 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.281 -14.181 -14.780 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.929 -14.971 -15.626 1.00 0.00 H new ATOM 1106 N HIS A 71 10.281 -17.544 -12.588 1.00 0.00 N ATOM 1107 CA HIS A 71 10.255 -18.598 -11.533 1.00 0.00 C ATOM 1108 C HIS A 71 8.915 -18.546 -10.795 1.00 0.00 C ATOM 1109 CB HIS A 71 11.393 -18.354 -10.541 1.00 0.00 C ATOM 1110 CG HIS A 71 11.546 -19.555 -9.647 1.00 0.00 C ATOM 1111 ND1 HIS A 71 10.604 -20.572 -9.606 1.00 0.00 N ATOM 1112 CD2 HIS A 71 12.525 -19.915 -8.754 1.00 0.00 C ATOM 1113 CE1 HIS A 71 11.034 -21.486 -8.717 1.00 0.00 C ATOM 1114 NE2 HIS A 71 12.198 -21.135 -8.168 1.00 0.00 N ATOM 0 H HIS A 71 10.559 -17.864 -13.516 1.00 0.00 H new ATOM 0 HA HIS A 71 10.379 -19.578 -11.994 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.323 -18.166 -11.077 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.185 -17.467 -9.943 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.413 -19.340 -8.539 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.501 -22.394 -8.477 1.00 0.00 H new ATOM 0 HE2 HIS A 71 12.734 -21.650 -7.469 1.00 0.00 H new ATOM 1123 N GLY B 72 -14.804 -13.290 6.383 1.00 0.00 N ATOM 1124 CA GLY B 72 -13.804 -13.507 5.299 1.00 0.00 C ATOM 1125 C GLY B 72 -13.313 -12.156 4.779 1.00 0.00 C ATOM 1126 O GLY B 72 -13.365 -11.880 3.596 1.00 0.00 O ATOM 0 HA2 GLY B 72 -12.964 -14.090 5.676 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -14.251 -14.080 4.487 1.00 0.00 H new ATOM 1131 N SER B 73 -12.840 -11.309 5.651 1.00 0.00 N ATOM 1132 CA SER B 73 -12.348 -9.976 5.204 1.00 0.00 C ATOM 1133 C SER B 73 -10.948 -10.125 4.604 1.00 0.00 C ATOM 1134 O SER B 73 -10.228 -11.055 4.907 1.00 0.00 O ATOM 1135 CB SER B 73 -12.291 -9.027 6.400 1.00 0.00 C ATOM 1136 OG SER B 73 -13.490 -9.149 7.155 1.00 0.00 O ATOM 0 H SER B 73 -12.773 -11.483 6.654 1.00 0.00 H new ATOM 0 HA SER B 73 -13.025 -9.572 4.452 1.00 0.00 H new ATOM 0 HB2 SER B 73 -11.429 -9.262 7.024 1.00 0.00 H new ATOM 0 HB3 SER B 73 -12.166 -8.000 6.058 1.00 0.00 H new ATOM 0 HG SER B 73 -13.455 -8.542 7.924 1.00 0.00 H new ATOM 1142 N MET B 74 -10.557 -9.213 3.756 1.00 0.00 N ATOM 1143 CA MET B 74 -9.206 -9.302 3.138 1.00 0.00 C ATOM 1144 C MET B 74 -8.157 -9.523 4.231 1.00 0.00 C ATOM 1145 O MET B 74 -8.435 -9.383 5.405 1.00 0.00 O ATOM 1146 CB MET B 74 -8.897 -8.003 2.391 1.00 0.00 C ATOM 1147 CG MET B 74 -10.110 -7.596 1.550 1.00 0.00 C ATOM 1148 SD MET B 74 -9.641 -6.265 0.418 1.00 0.00 S ATOM 1149 CE MET B 74 -11.257 -5.456 0.335 1.00 0.00 C ATOM 0 H MET B 74 -11.116 -8.411 3.465 1.00 0.00 H new ATOM 0 HA MET B 74 -9.183 -10.137 2.438 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.651 -7.213 3.100 1.00 0.00 H new ATOM 0 HB3 MET B 74 -8.026 -8.138 1.750 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.480 -8.453 0.987 1.00 0.00 H new ATOM 0 HG3 MET B 74 -10.922 -7.267 2.199 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.197 -4.590 -0.324 1.00 0.00 H new ATOM 0 HE2 MET B 74 -11.995 -6.157 -0.054 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.554 -5.133 1.333 1.00 0.00 H new ATOM 1159 N GLY B 75 -6.955 -9.865 3.855 1.00 0.00 N ATOM 1160 CA GLY B 75 -5.893 -10.094 4.874 1.00 0.00 C ATOM 1161 C GLY B 75 -4.540 -10.243 4.179 1.00 0.00 C ATOM 1162 O GLY B 75 -3.778 -11.143 4.470 1.00 0.00 O ATOM 0 H GLY B 75 -6.663 -9.996 2.886 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -5.863 -9.261 5.576 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -6.117 -10.990 5.452 1.00 0.00 H new ATOM 1166 N VAL B 76 -4.234 -9.364 3.261 1.00 0.00 N ATOM 1167 CA VAL B 76 -2.926 -9.458 2.546 1.00 0.00 C ATOM 1168 C VAL B 76 -2.534 -8.071 2.021 1.00 0.00 C ATOM 1169 O VAL B 76 -3.325 -7.416 1.373 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.060 -10.417 1.355 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.103 -9.992 0.240 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.711 -11.844 1.773 1.00 0.00 C ATOM 0 H VAL B 76 -4.831 -8.587 2.976 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.165 -9.826 3.234 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.091 -10.382 1.004 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.201 -10.675 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.347 -8.980 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.078 -10.018 0.611 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.812 -12.509 0.915 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.684 -11.875 2.138 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.387 -12.167 2.564 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.313 -7.675 2.289 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.796 -6.389 1.820 1.00 0.00 C ATOM 1184 C PRO B 77 -0.517 -6.486 0.338 1.00 0.00 C ATOM 1185 O PRO B 77 -0.435 -7.559 -0.221 1.00 0.00 O ATOM 1186 CB PRO B 77 0.510 -6.176 2.593 1.00 0.00 C ATOM 1187 CG PRO B 77 0.804 -7.488 3.359 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.354 -8.456 3.086 1.00 0.00 C ATOM 0 HA PRO B 77 -1.494 -5.567 1.979 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.326 -5.937 1.912 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.416 -5.339 3.285 1.00 0.00 H new ATOM 0 HG2 PRO B 77 1.749 -7.920 3.030 1.00 0.00 H new ATOM 0 HG3 PRO B 77 0.897 -7.294 4.428 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -0.014 -9.338 2.543 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.804 -8.807 4.015 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.368 -5.375 -0.301 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.094 -5.399 -1.752 1.00 0.00 C ATOM 1198 C ILE B 78 1.015 -4.411 -2.072 1.00 0.00 C ATOM 1199 O ILE B 78 0.919 -3.228 -1.813 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.373 -5.070 -2.509 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.291 -6.287 -2.402 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.035 -4.803 -3.971 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -3.753 -5.886 -2.539 1.00 0.00 C ATOM 0 H ILE B 78 -0.424 -4.447 0.118 1.00 0.00 H new ATOM 0 HA ILE B 78 0.238 -6.390 -2.060 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.860 -4.187 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.035 -7.009 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.135 -6.781 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -1.948 -4.567 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.344 -3.962 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -0.571 -5.689 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.382 -6.772 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.013 -5.183 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -3.912 -5.415 -3.509 1.00 0.00 H new ATOM 1215 N CYS B 79 2.084 -4.915 -2.610 1.00 0.00 N ATOM 1216 CA CYS B 79 3.241 -4.054 -2.930 1.00 0.00 C ATOM 1217 C CYS B 79 2.818 -2.948 -3.886 1.00 0.00 C ATOM 1218 O CYS B 79 2.401 -3.191 -5.001 1.00 0.00 O ATOM 1219 CB CYS B 79 4.346 -4.903 -3.553 1.00 0.00 C ATOM 1220 SG CYS B 79 5.646 -3.837 -4.217 1.00 0.00 S ATOM 0 H CYS B 79 2.204 -5.901 -2.844 1.00 0.00 H new ATOM 0 HA CYS B 79 3.617 -3.594 -2.016 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.764 -5.577 -2.805 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.934 -5.525 -4.347 1.00 0.00 H new ATOM 0 HG CYS B 79 6.481 -4.552 -4.911 1.00 0.00 H new ATOM 1225 N GLY B 80 2.921 -1.731 -3.444 1.00 0.00 N ATOM 1226 CA GLY B 80 2.524 -0.586 -4.305 1.00 0.00 C ATOM 1227 C GLY B 80 3.454 -0.518 -5.513 1.00 0.00 C ATOM 1228 O GLY B 80 3.324 0.341 -6.363 1.00 0.00 O ATOM 0 H GLY B 80 3.265 -1.477 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.491 -0.703 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.575 0.344 -3.739 1.00 0.00 H new ATOM 1232 N ALA B 81 4.394 -1.417 -5.597 1.00 0.00 N ATOM 1233 CA ALA B 81 5.337 -1.403 -6.749 1.00 0.00 C ATOM 1234 C ALA B 81 4.732 -2.191 -7.908 1.00 0.00 C ATOM 1235 O ALA B 81 4.703 -1.738 -9.034 1.00 0.00 O ATOM 1236 CB ALA B 81 6.664 -2.039 -6.328 1.00 0.00 C ATOM 0 H ALA B 81 4.550 -2.161 -4.917 1.00 0.00 H new ATOM 0 HA ALA B 81 5.515 -0.375 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA B 81 7.356 -2.029 -7.171 1.00 0.00 H new ATOM 0 HB2 ALA B 81 7.092 -1.473 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.491 -3.068 -6.013 1.00 0.00 H new ATOM 1242 N CYS B 82 4.249 -3.370 -7.636 1.00 0.00 N ATOM 1243 CA CYS B 82 3.640 -4.206 -8.708 1.00 0.00 C ATOM 1244 C CYS B 82 2.158 -4.412 -8.399 1.00 0.00 C ATOM 1245 O CYS B 82 1.468 -5.144 -9.083 1.00 0.00 O ATOM 1246 CB CYS B 82 4.346 -5.562 -8.754 1.00 0.00 C ATOM 1247 SG CYS B 82 4.709 -6.105 -7.066 1.00 0.00 S ATOM 0 H CYS B 82 4.250 -3.795 -6.709 1.00 0.00 H new ATOM 0 HA CYS B 82 3.748 -3.709 -9.672 1.00 0.00 H new ATOM 0 HB2 CYS B 82 3.716 -6.296 -9.257 1.00 0.00 H new ATOM 0 HB3 CYS B 82 5.268 -5.485 -9.330 1.00 0.00 H new ATOM 0 HG CYS B 82 5.991 -6.052 -6.860 1.00 0.00 H new ATOM 1252 N ARG B 83 1.662 -3.783 -7.366 1.00 0.00 N ATOM 1253 CA ARG B 83 0.232 -3.955 -7.014 1.00 0.00 C ATOM 1254 C ARG B 83 -0.060 -5.448 -6.882 1.00 0.00 C ATOM 1255 O ARG B 83 -1.083 -5.934 -7.316 1.00 0.00 O ATOM 1256 CB ARG B 83 -0.652 -3.349 -8.107 1.00 0.00 C ATOM 1257 CG ARG B 83 -0.418 -1.832 -8.185 1.00 0.00 C ATOM 1258 CD ARG B 83 -1.296 -1.214 -9.283 1.00 0.00 C ATOM 1259 NE ARG B 83 -0.873 -1.713 -10.631 1.00 0.00 N ATOM 1260 CZ ARG B 83 0.125 -1.171 -11.278 1.00 0.00 C ATOM 1261 NH1 ARG B 83 0.684 -0.077 -10.837 1.00 0.00 N ATOM 1262 NH2 ARG B 83 0.536 -1.701 -12.397 1.00 0.00 N ATOM 0 H ARG B 83 2.189 -3.159 -6.755 1.00 0.00 H new ATOM 0 HA ARG B 83 0.019 -3.448 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -0.426 -3.811 -9.068 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -1.701 -3.554 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -0.648 -1.372 -7.224 1.00 0.00 H new ATOM 0 HG3 ARG B 83 0.633 -1.629 -8.393 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.342 -1.466 -9.106 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -1.220 -0.127 -9.250 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.375 -2.494 -11.053 1.00 0.00 H new ATOM 0 HH11 ARG B 83 0.342 0.361 -9.982 1.00 0.00 H new ATOM 0 HH12 ARG B 83 1.462 0.340 -11.348 1.00 0.00 H new ATOM 0 HH21 ARG B 83 0.079 -2.536 -12.764 1.00 0.00 H new ATOM 0 HH22 ARG B 83 1.315 -1.281 -12.905 1.00 0.00 H new ATOM 1276 N ARG B 84 0.845 -6.174 -6.277 1.00 0.00 N ATOM 1277 CA ARG B 84 0.644 -7.640 -6.101 1.00 0.00 C ATOM 1278 C ARG B 84 0.547 -7.944 -4.602 1.00 0.00 C ATOM 1279 O ARG B 84 1.232 -7.323 -3.816 1.00 0.00 O ATOM 1280 CB ARG B 84 1.839 -8.394 -6.697 1.00 0.00 C ATOM 1281 CG ARG B 84 1.688 -8.486 -8.217 1.00 0.00 C ATOM 1282 CD ARG B 84 2.992 -9.006 -8.827 1.00 0.00 C ATOM 1283 NE ARG B 84 3.029 -10.492 -8.728 1.00 0.00 N ATOM 1284 CZ ARG B 84 3.814 -11.178 -9.511 1.00 0.00 C ATOM 1285 NH1 ARG B 84 4.567 -10.564 -10.383 1.00 0.00 N ATOM 1286 NH2 ARG B 84 3.845 -12.480 -9.426 1.00 0.00 N ATOM 0 H ARG B 84 1.719 -5.810 -5.896 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.269 -7.955 -6.607 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.767 -7.881 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.901 -9.394 -6.267 1.00 0.00 H new ATOM 0 HG2 ARG B 84 0.864 -9.152 -8.472 1.00 0.00 H new ATOM 0 HG3 ARG B 84 1.446 -7.506 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG B 84 3.066 -8.698 -9.870 1.00 0.00 H new ATOM 0 HD3 ARG B 84 3.847 -8.575 -8.306 1.00 0.00 H new ATOM 0 HE ARG B 84 2.440 -10.973 -8.048 1.00 0.00 H new ATOM 0 HH11 ARG B 84 4.542 -9.547 -10.452 1.00 0.00 H new ATOM 0 HH12 ARG B 84 5.181 -11.102 -10.995 1.00 0.00 H new ATOM 0 HH21 ARG B 84 3.255 -12.961 -8.747 1.00 0.00 H new ATOM 0 HH22 ARG B 84 4.459 -13.017 -10.039 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.294 -8.881 -4.239 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.471 -9.249 -2.827 1.00 0.00 C ATOM 1302 C PRO B 85 0.865 -9.658 -2.206 1.00 0.00 C ATOM 1303 O PRO B 85 1.444 -10.665 -2.562 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.470 -10.420 -2.846 1.00 0.00 C ATOM 1305 CG PRO B 85 -1.914 -10.637 -4.309 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.127 -9.648 -5.188 1.00 0.00 C ATOM 0 HA PRO B 85 -0.839 -8.420 -2.223 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.007 -11.324 -2.449 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.330 -10.199 -2.214 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -1.719 -11.663 -4.620 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -2.986 -10.471 -4.412 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -0.512 -10.172 -5.920 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -1.797 -8.993 -5.745 1.00 0.00 H new ATOM 1314 N ILE B 86 1.355 -8.883 -1.274 1.00 0.00 N ATOM 1315 CA ILE B 86 2.654 -9.236 -0.629 1.00 0.00 C ATOM 1316 C ILE B 86 2.438 -10.460 0.265 1.00 0.00 C ATOM 1317 O ILE B 86 1.326 -10.758 0.653 1.00 0.00 O ATOM 1318 CB ILE B 86 3.171 -8.048 0.195 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.464 -6.872 -0.742 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.461 -8.445 0.918 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.259 -5.549 0.005 1.00 0.00 C ATOM 0 H ILE B 86 0.916 -8.028 -0.934 1.00 0.00 H new ATOM 0 HA ILE B 86 3.399 -9.469 -1.390 1.00 0.00 H new ATOM 0 HB ILE B 86 2.416 -7.761 0.927 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.487 -6.936 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.807 -6.915 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.826 -7.600 1.502 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.262 -9.286 1.582 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.215 -8.732 0.185 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.469 -4.716 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.228 -5.484 0.353 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.934 -5.505 0.860 1.00 0.00 H new ATOM 1333 N GLU B 87 3.476 -11.189 0.579 1.00 0.00 N ATOM 1334 CA GLU B 87 3.282 -12.404 1.428 1.00 0.00 C ATOM 1335 C GLU B 87 4.603 -12.831 2.073 1.00 0.00 C ATOM 1336 O GLU B 87 5.094 -13.921 1.852 1.00 0.00 O ATOM 1337 CB GLU B 87 2.742 -13.547 0.562 1.00 0.00 C ATOM 1338 CG GLU B 87 3.440 -13.528 -0.801 1.00 0.00 C ATOM 1339 CD GLU B 87 3.220 -14.868 -1.507 1.00 0.00 C ATOM 1340 OE1 GLU B 87 2.166 -15.038 -2.097 1.00 0.00 O ATOM 1341 OE2 GLU B 87 4.110 -15.701 -1.445 1.00 0.00 O ATOM 0 H GLU B 87 4.436 -11.001 0.290 1.00 0.00 H new ATOM 0 HA GLU B 87 2.570 -12.168 2.219 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.912 -14.504 1.056 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.665 -13.442 0.432 1.00 0.00 H new ATOM 0 HG2 GLU B 87 3.047 -12.715 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.507 -13.344 -0.673 1.00 0.00 H new ATOM 1348 N GLY B 88 5.169 -11.983 2.874 1.00 0.00 N ATOM 1349 CA GLY B 88 6.447 -12.314 3.560 1.00 0.00 C ATOM 1350 C GLY B 88 6.788 -11.163 4.492 1.00 0.00 C ATOM 1351 O GLY B 88 6.205 -11.010 5.546 1.00 0.00 O ATOM 0 H GLY B 88 4.797 -11.058 3.088 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.349 -13.243 4.121 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.244 -12.464 2.831 1.00 0.00 H new ATOM 1355 N ARG B 89 7.692 -10.330 4.087 1.00 0.00 N ATOM 1356 CA ARG B 89 8.049 -9.147 4.910 1.00 0.00 C ATOM 1357 C ARG B 89 7.587 -7.916 4.143 1.00 0.00 C ATOM 1358 O ARG B 89 7.970 -7.696 3.009 1.00 0.00 O ATOM 1359 CB ARG B 89 9.556 -9.097 5.140 1.00 0.00 C ATOM 1360 CG ARG B 89 9.950 -10.168 6.159 1.00 0.00 C ATOM 1361 CD ARG B 89 11.378 -9.909 6.648 1.00 0.00 C ATOM 1362 NE ARG B 89 12.149 -11.191 6.683 1.00 0.00 N ATOM 1363 CZ ARG B 89 11.622 -12.279 7.180 1.00 0.00 C ATOM 1364 NH1 ARG B 89 10.440 -12.249 7.731 1.00 0.00 N ATOM 1365 NH2 ARG B 89 12.290 -13.400 7.142 1.00 0.00 N ATOM 0 H ARG B 89 8.207 -10.416 3.211 1.00 0.00 H new ATOM 0 HA ARG B 89 7.570 -9.195 5.888 1.00 0.00 H new ATOM 0 HB2 ARG B 89 10.084 -9.261 4.201 1.00 0.00 H new ATOM 0 HB3 ARG B 89 9.847 -8.111 5.501 1.00 0.00 H new ATOM 0 HG2 ARG B 89 9.258 -10.155 7.001 1.00 0.00 H new ATOM 0 HG3 ARG B 89 9.883 -11.157 5.706 1.00 0.00 H new ATOM 0 HD2 ARG B 89 11.873 -9.196 5.989 1.00 0.00 H new ATOM 0 HD3 ARG B 89 11.355 -9.462 7.642 1.00 0.00 H new ATOM 0 HE ARG B 89 13.099 -11.216 6.314 1.00 0.00 H new ATOM 0 HH11 ARG B 89 9.920 -11.372 7.776 1.00 0.00 H new ATOM 0 HH12 ARG B 89 10.035 -13.102 8.117 1.00 0.00 H new ATOM 0 HH21 ARG B 89 13.221 -13.425 6.725 1.00 0.00 H new ATOM 0 HH22 ARG B 89 11.881 -14.251 7.529 1.00 0.00 H new ATOM 1379 N VAL B 90 6.727 -7.143 4.728 1.00 0.00 N ATOM 1380 CA VAL B 90 6.184 -5.950 4.015 1.00 0.00 C ATOM 1381 C VAL B 90 6.913 -4.678 4.432 1.00 0.00 C ATOM 1382 O VAL B 90 7.496 -4.597 5.496 1.00 0.00 O ATOM 1383 CB VAL B 90 4.700 -5.802 4.361 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.086 -4.646 3.559 1.00 0.00 C ATOM 1385 CG2 VAL B 90 3.962 -7.101 4.018 1.00 0.00 C ATOM 0 H VAL B 90 6.371 -7.281 5.674 1.00 0.00 H new ATOM 0 HA VAL B 90 6.323 -6.094 2.944 1.00 0.00 H new ATOM 0 HB VAL B 90 4.604 -5.593 5.426 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.030 -4.548 3.812 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.605 -3.719 3.802 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.187 -4.849 2.493 1.00 0.00 H new ATOM 0 HG21 VAL B 90 2.906 -6.995 4.265 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.067 -7.309 2.953 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.388 -7.924 4.592 1.00 0.00 H new ATOM 1395 N VAL B 91 6.845 -3.670 3.604 1.00 0.00 N ATOM 1396 CA VAL B 91 7.484 -2.370 3.936 1.00 0.00 C ATOM 1397 C VAL B 91 6.394 -1.311 3.893 1.00 0.00 C ATOM 1398 O VAL B 91 5.801 -1.064 2.866 1.00 0.00 O ATOM 1399 CB VAL B 91 8.578 -2.037 2.916 1.00 0.00 C ATOM 1400 CG1 VAL B 91 8.842 -0.528 2.920 1.00 0.00 C ATOM 1401 CG2 VAL B 91 9.861 -2.773 3.299 1.00 0.00 C ATOM 0 H VAL B 91 6.368 -3.695 2.703 1.00 0.00 H new ATOM 0 HA VAL B 91 7.949 -2.412 4.921 1.00 0.00 H new ATOM 0 HB VAL B 91 8.255 -2.346 1.922 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.620 -0.293 2.194 1.00 0.00 H new ATOM 0 HG12 VAL B 91 7.927 0.002 2.656 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.167 -0.218 3.913 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.643 -2.540 2.577 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.179 -2.457 4.293 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.677 -3.847 3.301 1.00 0.00 H new ATOM 1411 N ASN B 92 6.104 -0.696 4.997 1.00 0.00 N ATOM 1412 CA ASN B 92 5.030 0.330 5.003 1.00 0.00 C ATOM 1413 C ASN B 92 5.631 1.697 4.690 1.00 0.00 C ATOM 1414 O ASN B 92 6.291 2.304 5.508 1.00 0.00 O ATOM 1415 CB ASN B 92 4.363 0.358 6.372 1.00 0.00 C ATOM 1416 CG ASN B 92 3.587 -0.941 6.592 1.00 0.00 C ATOM 1417 OD1 ASN B 92 2.649 -0.982 7.361 1.00 0.00 O ATOM 1418 ND2 ASN B 92 3.942 -2.016 5.940 1.00 0.00 N ATOM 0 H ASN B 92 6.561 -0.857 5.895 1.00 0.00 H new ATOM 0 HA ASN B 92 4.285 0.085 4.246 1.00 0.00 H new ATOM 0 HB2 ASN B 92 5.115 0.481 7.151 1.00 0.00 H new ATOM 0 HB3 ASN B 92 3.689 1.212 6.442 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.431 -2.888 6.078 1.00 0.00 H new ATOM 0 HD22 ASN B 92 4.730 -1.983 5.293 1.00 0.00 H new ATOM 1425 N ALA B 93 5.400 2.185 3.503 1.00 0.00 N ATOM 1426 CA ALA B 93 5.948 3.512 3.118 1.00 0.00 C ATOM 1427 C ALA B 93 4.938 4.217 2.216 1.00 0.00 C ATOM 1428 O ALA B 93 4.078 3.591 1.630 1.00 0.00 O ATOM 1429 CB ALA B 93 7.259 3.318 2.358 1.00 0.00 C ATOM 0 H ALA B 93 4.852 1.718 2.781 1.00 0.00 H new ATOM 0 HA ALA B 93 6.133 4.112 4.009 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.663 4.290 2.075 1.00 0.00 H new ATOM 0 HB2 ALA B 93 7.975 2.799 2.995 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.076 2.726 1.461 1.00 0.00 H new ATOM 1435 N MET B 94 5.027 5.514 2.102 1.00 0.00 N ATOM 1436 CA MET B 94 4.057 6.240 1.239 1.00 0.00 C ATOM 1437 C MET B 94 2.658 5.944 1.750 1.00 0.00 C ATOM 1438 O MET B 94 1.671 6.127 1.066 1.00 0.00 O ATOM 1439 CB MET B 94 4.176 5.748 -0.205 1.00 0.00 C ATOM 1440 CG MET B 94 5.649 5.630 -0.608 1.00 0.00 C ATOM 1441 SD MET B 94 6.310 7.280 -0.942 1.00 0.00 S ATOM 1442 CE MET B 94 7.969 7.018 -0.268 1.00 0.00 C ATOM 0 H MET B 94 5.724 6.097 2.565 1.00 0.00 H new ATOM 0 HA MET B 94 4.261 7.310 1.268 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.685 4.780 -0.308 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.663 6.438 -0.875 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.219 5.152 0.189 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.747 5.000 -1.492 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.428 7.981 -0.046 1.00 0.00 H new ATOM 0 HE2 MET B 94 7.901 6.429 0.646 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.579 6.486 -0.998 1.00 0.00 H new ATOM 1452 N GLY B 95 2.582 5.467 2.950 1.00 0.00 N ATOM 1453 CA GLY B 95 1.260 5.121 3.532 1.00 0.00 C ATOM 1454 C GLY B 95 0.728 3.889 2.805 1.00 0.00 C ATOM 1455 O GLY B 95 -0.461 3.660 2.722 1.00 0.00 O ATOM 0 H GLY B 95 3.382 5.299 3.561 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.355 4.921 4.599 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.567 5.955 3.424 1.00 0.00 H new ATOM 1459 N LYS B 96 1.621 3.109 2.265 1.00 0.00 N ATOM 1460 CA LYS B 96 1.219 1.886 1.511 1.00 0.00 C ATOM 1461 C LYS B 96 2.022 0.686 2.012 1.00 0.00 C ATOM 1462 O LYS B 96 2.494 0.654 3.127 1.00 0.00 O ATOM 1463 CB LYS B 96 1.519 2.106 0.024 1.00 0.00 C ATOM 1464 CG LYS B 96 0.669 3.268 -0.520 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.108 2.808 -1.758 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.761 4.015 -2.431 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.837 4.554 -1.551 1.00 0.00 N ATOM 0 H LYS B 96 2.627 3.268 2.314 1.00 0.00 H new ATOM 0 HA LYS B 96 0.156 1.695 1.658 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.578 2.324 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.306 1.196 -0.537 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -0.023 3.614 0.247 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.310 4.112 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.563 2.309 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.869 2.082 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.014 4.785 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.177 3.726 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.370 5.286 -2.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.481 3.784 -1.278 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.412 4.969 -0.697 1.00 0.00 H new ATOM 1481 N GLN B 97 2.174 -0.295 1.170 1.00 0.00 N ATOM 1482 CA GLN B 97 2.941 -1.517 1.527 1.00 0.00 C ATOM 1483 C GLN B 97 3.839 -1.833 0.331 1.00 0.00 C ATOM 1484 O GLN B 97 3.455 -1.609 -0.800 1.00 0.00 O ATOM 1485 CB GLN B 97 1.949 -2.654 1.768 1.00 0.00 C ATOM 1486 CG GLN B 97 1.325 -2.491 3.169 1.00 0.00 C ATOM 1487 CD GLN B 97 -0.157 -2.892 3.155 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.833 -2.785 4.157 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.693 -3.353 2.060 1.00 0.00 N ATOM 0 H GLN B 97 1.789 -0.300 0.226 1.00 0.00 H new ATOM 0 HA GLN B 97 3.542 -1.383 2.427 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.170 -2.641 1.006 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.454 -3.617 1.691 1.00 0.00 H new ATOM 0 HG2 GLN B 97 1.866 -3.107 3.887 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.424 -1.457 3.498 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.129 -3.445 1.215 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.677 -3.622 2.048 1.00 0.00 H new ATOM 1498 N TRP B 98 5.034 -2.310 0.543 1.00 0.00 N ATOM 1499 CA TRP B 98 5.924 -2.575 -0.623 1.00 0.00 C ATOM 1500 C TRP B 98 6.730 -3.854 -0.406 1.00 0.00 C ATOM 1501 O TRP B 98 7.224 -4.105 0.674 1.00 0.00 O ATOM 1502 CB TRP B 98 6.884 -1.390 -0.768 1.00 0.00 C ATOM 1503 CG TRP B 98 6.096 -0.125 -0.874 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.607 0.584 0.170 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.695 0.588 -2.075 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.926 1.688 -0.320 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.954 1.732 -1.699 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.905 0.351 -3.437 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.435 2.608 -2.652 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.390 1.226 -4.399 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.655 2.353 -4.009 1.00 0.00 C ATOM 0 H TRP B 98 5.429 -2.525 1.458 1.00 0.00 H new ATOM 0 HA TRP B 98 5.320 -2.698 -1.522 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.554 -1.343 0.090 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.507 -1.519 -1.653 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.727 0.331 1.213 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.462 2.382 0.266 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.470 -0.515 -3.749 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.869 3.475 -2.345 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.560 1.032 -5.448 1.00 0.00 H new ATOM 0 HH2 TRP B 98 4.258 3.025 -4.756 1.00 0.00 H new ATOM 1522 N HIS B 99 6.903 -4.656 -1.430 1.00 0.00 N ATOM 1523 CA HIS B 99 7.720 -5.887 -1.246 1.00 0.00 C ATOM 1524 C HIS B 99 9.086 -5.438 -0.732 1.00 0.00 C ATOM 1525 O HIS B 99 9.688 -4.533 -1.272 1.00 0.00 O ATOM 1526 CB HIS B 99 7.920 -6.622 -2.574 1.00 0.00 C ATOM 1527 CG HIS B 99 6.718 -7.467 -2.895 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.926 -7.228 -4.003 1.00 0.00 N ATOM 1529 CD2 HIS B 99 6.176 -8.564 -2.275 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.956 -8.159 -4.021 1.00 0.00 C ATOM 1531 NE2 HIS B 99 5.063 -9.001 -2.988 1.00 0.00 N ATOM 0 H HIS B 99 6.521 -4.513 -2.365 1.00 0.00 H new ATOM 0 HA HIS B 99 7.217 -6.564 -0.555 1.00 0.00 H new ATOM 0 HB2 HIS B 99 8.089 -5.901 -3.374 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.809 -7.250 -2.518 1.00 0.00 H new ATOM 0 HD1 HIS B 99 6.055 -6.480 -4.684 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.555 -9.019 -1.372 1.00 0.00 H new ATOM 0 HE1 HIS B 99 4.186 -8.219 -4.776 1.00 0.00 H new ATOM 1539 N VAL B 100 9.585 -6.050 0.293 1.00 0.00 N ATOM 1540 CA VAL B 100 10.911 -5.635 0.809 1.00 0.00 C ATOM 1541 C VAL B 100 11.905 -5.657 -0.346 1.00 0.00 C ATOM 1542 O VAL B 100 12.995 -5.131 -0.262 1.00 0.00 O ATOM 1543 CB VAL B 100 11.345 -6.616 1.892 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.860 -6.538 2.083 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.638 -6.258 3.199 1.00 0.00 C ATOM 0 H VAL B 100 9.137 -6.816 0.796 1.00 0.00 H new ATOM 0 HA VAL B 100 10.866 -4.632 1.232 1.00 0.00 H new ATOM 0 HB VAL B 100 11.079 -7.631 1.597 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.166 -7.241 2.858 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.358 -6.791 1.147 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.138 -5.527 2.380 1.00 0.00 H new ATOM 0 HG21 VAL B 100 10.942 -6.955 3.980 1.00 0.00 H new ATOM 0 HG22 VAL B 100 10.908 -5.243 3.492 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.559 -6.320 3.058 1.00 0.00 H new ATOM 1555 N GLU B 101 11.531 -6.288 -1.420 1.00 0.00 N ATOM 1556 CA GLU B 101 12.436 -6.383 -2.592 1.00 0.00 C ATOM 1557 C GLU B 101 12.118 -5.282 -3.611 1.00 0.00 C ATOM 1558 O GLU B 101 12.972 -4.874 -4.374 1.00 0.00 O ATOM 1559 CB GLU B 101 12.252 -7.755 -3.248 1.00 0.00 C ATOM 1560 CG GLU B 101 12.993 -7.807 -4.586 1.00 0.00 C ATOM 1561 CD GLU B 101 14.450 -7.385 -4.385 1.00 0.00 C ATOM 1562 OE1 GLU B 101 15.159 -8.089 -3.684 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.829 -6.362 -4.933 1.00 0.00 O ATOM 0 H GLU B 101 10.627 -6.746 -1.536 1.00 0.00 H new ATOM 0 HA GLU B 101 13.466 -6.258 -2.259 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.627 -8.536 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU B 101 11.191 -7.952 -3.404 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.950 -8.815 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU B 101 12.509 -7.147 -5.307 1.00 0.00 H new ATOM 1570 N HIS B 102 10.898 -4.805 -3.651 1.00 0.00 N ATOM 1571 CA HIS B 102 10.549 -3.745 -4.649 1.00 0.00 C ATOM 1572 C HIS B 102 10.590 -2.360 -4.006 1.00 0.00 C ATOM 1573 O HIS B 102 10.485 -1.359 -4.687 1.00 0.00 O ATOM 1574 CB HIS B 102 9.150 -4.005 -5.220 1.00 0.00 C ATOM 1575 CG HIS B 102 9.151 -5.316 -5.963 1.00 0.00 C ATOM 1576 ND1 HIS B 102 8.020 -6.118 -6.088 1.00 0.00 N ATOM 1577 CD2 HIS B 102 10.149 -5.977 -6.637 1.00 0.00 C ATOM 1578 CE1 HIS B 102 8.371 -7.199 -6.810 1.00 0.00 C ATOM 1579 NE2 HIS B 102 9.656 -7.163 -7.167 1.00 0.00 N ATOM 0 H HIS B 102 10.135 -5.100 -3.042 1.00 0.00 H new ATOM 0 HA HIS B 102 11.283 -3.778 -5.454 1.00 0.00 H new ATOM 0 HB2 HIS B 102 8.415 -4.030 -4.415 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.862 -3.195 -5.889 1.00 0.00 H new ATOM 0 HD2 HIS B 102 11.166 -5.627 -6.740 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.694 -7.999 -7.069 1.00 0.00 H new ATOM 0 HE2 HIS B 102 10.167 -7.857 -7.712 1.00 0.00 H new ATOM 1587 N PHE B 103 10.778 -2.270 -2.720 1.00 0.00 N ATOM 1588 CA PHE B 103 10.859 -0.922 -2.106 1.00 0.00 C ATOM 1589 C PHE B 103 12.266 -0.409 -2.350 1.00 0.00 C ATOM 1590 O PHE B 103 13.221 -0.886 -1.774 1.00 0.00 O ATOM 1591 CB PHE B 103 10.577 -0.972 -0.602 1.00 0.00 C ATOM 1592 CG PHE B 103 10.337 0.439 -0.114 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.272 1.187 -0.633 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.185 1.008 0.842 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.057 2.499 -0.198 1.00 0.00 C ATOM 1596 CE2 PHE B 103 10.968 2.322 1.279 1.00 0.00 C ATOM 1597 CZ PHE B 103 9.904 3.067 0.757 1.00 0.00 C ATOM 0 H PHE B 103 10.877 -3.057 -2.079 1.00 0.00 H new ATOM 0 HA PHE B 103 10.110 -0.266 -2.549 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.707 -1.596 -0.400 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.419 -1.418 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.616 0.750 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.007 0.435 1.244 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.236 3.073 -0.601 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.622 2.760 2.019 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.738 4.080 1.092 1.00 0.00 H new ATOM 1607 N VAL B 104 12.405 0.523 -3.244 1.00 0.00 N ATOM 1608 CA VAL B 104 13.758 1.032 -3.583 1.00 0.00 C ATOM 1609 C VAL B 104 13.775 2.552 -3.627 1.00 0.00 C ATOM 1610 O VAL B 104 12.764 3.215 -3.514 1.00 0.00 O ATOM 1611 CB VAL B 104 14.133 0.526 -4.976 1.00 0.00 C ATOM 1612 CG1 VAL B 104 14.104 -1.010 -5.020 1.00 0.00 C ATOM 1613 CG2 VAL B 104 13.136 1.091 -5.993 1.00 0.00 C ATOM 0 H VAL B 104 11.637 0.956 -3.757 1.00 0.00 H new ATOM 0 HA VAL B 104 14.457 0.684 -2.823 1.00 0.00 H new ATOM 0 HB VAL B 104 15.143 0.857 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL B 104 14.374 -1.351 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.816 -1.408 -4.297 1.00 0.00 H new ATOM 0 HG13 VAL B 104 13.102 -1.362 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL B 104 13.394 0.736 -6.991 1.00 0.00 H new ATOM 0 HG22 VAL B 104 12.129 0.759 -5.739 1.00 0.00 H new ATOM 0 HG23 VAL B 104 13.174 2.180 -5.974 1.00 0.00 H new ATOM 1623 N CYS B 105 14.941 3.090 -3.822 1.00 0.00 N ATOM 1624 CA CYS B 105 15.092 4.562 -3.920 1.00 0.00 C ATOM 1625 C CYS B 105 14.315 5.072 -5.129 1.00 0.00 C ATOM 1626 O CYS B 105 14.170 4.385 -6.122 1.00 0.00 O ATOM 1627 CB CYS B 105 16.576 4.875 -4.093 1.00 0.00 C ATOM 1628 SG CYS B 105 16.793 6.519 -4.817 1.00 0.00 S ATOM 0 H CYS B 105 15.809 2.563 -3.919 1.00 0.00 H new ATOM 0 HA CYS B 105 14.707 5.046 -3.023 1.00 0.00 H new ATOM 0 HB2 CYS B 105 17.079 4.826 -3.127 1.00 0.00 H new ATOM 0 HB3 CYS B 105 17.040 4.125 -4.733 1.00 0.00 H new ATOM 0 HG CYS B 105 18.053 6.838 -4.800 1.00 0.00 H new ATOM 1633 N ALA B 106 13.803 6.267 -5.057 1.00 0.00 N ATOM 1634 CA ALA B 106 13.031 6.819 -6.200 1.00 0.00 C ATOM 1635 C ALA B 106 13.968 7.599 -7.129 1.00 0.00 C ATOM 1636 O ALA B 106 13.561 8.528 -7.800 1.00 0.00 O ATOM 1637 CB ALA B 106 11.948 7.743 -5.652 1.00 0.00 C ATOM 0 H ALA B 106 13.887 6.887 -4.252 1.00 0.00 H new ATOM 0 HA ALA B 106 12.573 6.010 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA B 106 11.371 8.158 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA B 106 11.287 7.179 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.412 8.554 -5.090 1.00 0.00 H new ATOM 1643 N LYS B 107 15.222 7.226 -7.172 1.00 0.00 N ATOM 1644 CA LYS B 107 16.195 7.940 -8.060 1.00 0.00 C ATOM 1645 C LYS B 107 17.122 6.931 -8.742 1.00 0.00 C ATOM 1646 O LYS B 107 17.585 7.153 -9.845 1.00 0.00 O ATOM 1647 CB LYS B 107 17.052 8.896 -7.219 1.00 0.00 C ATOM 1648 CG LYS B 107 17.994 9.694 -8.127 1.00 0.00 C ATOM 1649 CD LYS B 107 17.178 10.524 -9.130 1.00 0.00 C ATOM 1650 CE LYS B 107 17.942 11.803 -9.486 1.00 0.00 C ATOM 1651 NZ LYS B 107 17.727 12.823 -8.420 1.00 0.00 N ATOM 0 H LYS B 107 15.616 6.457 -6.630 1.00 0.00 H new ATOM 0 HA LYS B 107 15.637 8.496 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS B 107 16.410 9.577 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.631 8.331 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.623 10.350 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS B 107 18.660 9.016 -8.660 1.00 0.00 H new ATOM 0 HD2 LYS B 107 16.988 9.940 -10.031 1.00 0.00 H new ATOM 0 HD3 LYS B 107 16.207 10.776 -8.703 1.00 0.00 H new ATOM 0 HE2 LYS B 107 19.006 11.587 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS B 107 17.600 12.188 -10.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 17.810 13.776 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 16.778 12.703 -8.011 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.443 12.703 -7.675 1.00 0.00 H new ATOM 1665 N CYS B 108 17.416 5.839 -8.089 1.00 0.00 N ATOM 1666 CA CYS B 108 18.338 4.828 -8.690 1.00 0.00 C ATOM 1667 C CYS B 108 17.705 3.440 -8.636 1.00 0.00 C ATOM 1668 O CYS B 108 18.144 2.525 -9.301 1.00 0.00 O ATOM 1669 CB CYS B 108 19.636 4.817 -7.888 1.00 0.00 C ATOM 1670 SG CYS B 108 19.277 4.264 -6.207 1.00 0.00 S ATOM 0 H CYS B 108 17.058 5.602 -7.164 1.00 0.00 H new ATOM 0 HA CYS B 108 18.533 5.087 -9.731 1.00 0.00 H new ATOM 0 HB2 CYS B 108 20.363 4.154 -8.356 1.00 0.00 H new ATOM 0 HB3 CYS B 108 20.078 5.813 -7.871 1.00 0.00 H new ATOM 0 HG CYS B 108 18.539 5.150 -5.607 1.00 0.00 H new ATOM 1675 N GLU B 109 16.680 3.273 -7.848 1.00 0.00 N ATOM 1676 CA GLU B 109 16.017 1.951 -7.745 1.00 0.00 C ATOM 1677 C GLU B 109 16.910 0.969 -6.989 1.00 0.00 C ATOM 1678 O GLU B 109 17.094 -0.157 -7.397 1.00 0.00 O ATOM 1679 CB GLU B 109 15.703 1.397 -9.142 1.00 0.00 C ATOM 1680 CG GLU B 109 15.214 2.531 -10.055 1.00 0.00 C ATOM 1681 CD GLU B 109 14.283 1.962 -11.128 1.00 0.00 C ATOM 1682 OE1 GLU B 109 13.119 1.755 -10.825 1.00 0.00 O ATOM 1683 OE2 GLU B 109 14.748 1.746 -12.234 1.00 0.00 O ATOM 0 H GLU B 109 16.272 4.005 -7.267 1.00 0.00 H new ATOM 0 HA GLU B 109 15.083 2.077 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU B 109 16.593 0.934 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.942 0.620 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU B 109 14.690 3.284 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU B 109 16.064 3.027 -10.523 1.00 0.00 H new ATOM 1690 N LYS B 110 17.440 1.386 -5.866 1.00 0.00 N ATOM 1691 CA LYS B 110 18.289 0.469 -5.053 1.00 0.00 C ATOM 1692 C LYS B 110 17.429 -0.051 -3.890 1.00 0.00 C ATOM 1693 O LYS B 110 17.077 0.710 -3.010 1.00 0.00 O ATOM 1694 CB LYS B 110 19.497 1.230 -4.502 1.00 0.00 C ATOM 1695 CG LYS B 110 20.580 0.234 -4.063 1.00 0.00 C ATOM 1696 CD LYS B 110 20.450 -0.050 -2.564 1.00 0.00 C ATOM 1697 CE LYS B 110 21.549 -1.025 -2.132 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.874 -0.509 -2.578 1.00 0.00 N ATOM 0 H LYS B 110 17.320 2.322 -5.479 1.00 0.00 H new ATOM 0 HA LYS B 110 18.652 -0.358 -5.663 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.894 1.902 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS B 110 19.195 1.849 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.484 -0.694 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.568 0.639 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.530 0.879 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.469 -0.472 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.539 -1.144 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.366 -2.010 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.615 -0.852 -1.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 23.071 -0.845 -3.542 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.862 0.531 -2.570 1.00 0.00 H new ATOM 1712 N PRO B 111 17.074 -1.318 -3.930 1.00 0.00 N ATOM 1713 CA PRO B 111 16.208 -1.912 -2.895 1.00 0.00 C ATOM 1714 C PRO B 111 16.914 -2.020 -1.550 1.00 0.00 C ATOM 1715 O PRO B 111 18.059 -2.409 -1.452 1.00 0.00 O ATOM 1716 CB PRO B 111 15.877 -3.313 -3.417 1.00 0.00 C ATOM 1717 CG PRO B 111 16.740 -3.559 -4.672 1.00 0.00 C ATOM 1718 CD PRO B 111 17.493 -2.254 -4.989 1.00 0.00 C ATOM 0 HA PRO B 111 15.325 -1.295 -2.726 1.00 0.00 H new ATOM 0 HB2 PRO B 111 16.086 -4.065 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.817 -3.391 -3.660 1.00 0.00 H new ATOM 0 HG2 PRO B 111 17.443 -4.373 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO B 111 16.114 -3.853 -5.514 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.572 -2.406 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO B 111 17.233 -1.876 -5.978 1.00 0.00 H new ATOM 1726 N PHE B 112 16.202 -1.706 -0.509 1.00 0.00 N ATOM 1727 CA PHE B 112 16.784 -1.816 0.862 1.00 0.00 C ATOM 1728 C PHE B 112 16.384 -3.164 1.464 1.00 0.00 C ATOM 1729 O PHE B 112 15.784 -3.223 2.520 1.00 0.00 O ATOM 1730 CB PHE B 112 16.978 -0.492 2.538 1.00 0.00 C ATOM 1731 CG PHE B 112 16.032 0.546 0.947 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.858 0.693 0.205 1.00 0.00 C ATOM 1733 CD2 PHE B 112 16.995 1.557 0.945 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.646 1.858 -0.541 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.787 2.718 0.201 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.612 2.873 -0.543 1.00 0.00 C ATOM 0 H PHE B 112 15.237 -1.376 -0.544 1.00 0.00 H new ATOM 0 HA PHE B 112 17.731 -1.495 0.428 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.409 -0.701 3.444 1.00 0.00 H new ATOM 0 HB3 PHE B 112 17.974 -0.181 2.852 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.115 -0.091 0.207 1.00 0.00 H new ATOM 0 HD2 PHE B 112 17.902 1.440 1.520 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.738 1.975 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.534 3.498 0.199 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.450 3.773 -1.118 1.00 0.00 H new ATOM 1745 N LEU B 113 16.707 -4.242 0.806 1.00 0.00 N ATOM 1746 CA LEU B 113 16.335 -5.583 1.351 1.00 0.00 C ATOM 1747 C LEU B 113 16.526 -5.575 2.866 1.00 0.00 C ATOM 1748 O LEU B 113 15.616 -5.860 3.625 1.00 0.00 O ATOM 1749 CB LEU B 113 17.247 -6.646 0.733 1.00 0.00 C ATOM 1750 CG LEU B 113 16.642 -7.133 -0.589 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.474 -5.947 -1.518 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.568 -8.159 -1.243 1.00 0.00 C ATOM 0 H LEU B 113 17.210 -4.256 -0.081 1.00 0.00 H new ATOM 0 HA LEU B 113 15.295 -5.806 1.111 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.240 -6.232 0.560 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.366 -7.483 1.421 1.00 0.00 H new ATOM 0 HG LEU B 113 15.676 -7.599 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU B 113 16.044 -6.282 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.811 -5.215 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.446 -5.490 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU B 113 17.130 -8.499 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.537 -7.701 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.698 -9.010 -0.574 1.00 0.00 H new ATOM 1764 N GLY B 114 17.702 -5.237 3.308 1.00 0.00 N ATOM 1765 CA GLY B 114 17.976 -5.184 4.771 1.00 0.00 C ATOM 1766 C GLY B 114 18.744 -3.901 5.086 1.00 0.00 C ATOM 1767 O GLY B 114 19.547 -3.854 5.996 1.00 0.00 O ATOM 0 H GLY B 114 18.494 -4.992 2.714 1.00 0.00 H new ATOM 0 HA2 GLY B 114 17.041 -5.210 5.331 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.556 -6.055 5.078 1.00 0.00 H new ATOM 1771 N HIS B 115 18.502 -2.861 4.332 1.00 0.00 N ATOM 1772 CA HIS B 115 19.222 -1.570 4.572 1.00 0.00 C ATOM 1773 C HIS B 115 18.222 -0.483 4.979 1.00 0.00 C ATOM 1774 O HIS B 115 17.032 -0.713 5.052 1.00 0.00 O ATOM 1775 CB HIS B 115 19.947 -1.144 3.288 1.00 0.00 C ATOM 1776 CG HIS B 115 20.383 -2.364 2.525 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.315 -2.435 1.143 1.00 0.00 N ATOM 1778 CD2 HIS B 115 20.895 -3.568 2.938 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.775 -3.646 0.776 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.142 -4.376 1.831 1.00 0.00 N ATOM 0 H HIS B 115 17.837 -2.847 3.559 1.00 0.00 H new ATOM 0 HA HIS B 115 19.947 -1.707 5.374 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.287 -0.534 2.671 1.00 0.00 H new ATOM 0 HB3 HIS B 115 20.812 -0.529 3.534 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.079 -3.847 3.965 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.839 -3.985 -0.247 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.522 -5.323 1.827 1.00 0.00 H new ATOM 1788 N ARG B 116 18.707 0.702 5.244 1.00 0.00 N ATOM 1789 CA ARG B 116 17.800 1.818 5.647 1.00 0.00 C ATOM 1790 C ARG B 116 17.424 2.638 4.411 1.00 0.00 C ATOM 1791 O ARG B 116 18.221 2.817 3.510 1.00 0.00 O ATOM 1792 CB ARG B 116 18.527 2.717 6.655 1.00 0.00 C ATOM 1793 CG ARG B 116 17.813 4.071 6.766 1.00 0.00 C ATOM 1794 CD ARG B 116 18.316 4.819 8.000 1.00 0.00 C ATOM 1795 NE ARG B 116 17.472 6.026 8.227 1.00 0.00 N ATOM 1796 CZ ARG B 116 17.519 6.649 9.373 1.00 0.00 C ATOM 1797 NH1 ARG B 116 18.307 6.216 10.320 1.00 0.00 N ATOM 1798 NH2 ARG B 116 16.780 7.706 9.574 1.00 0.00 N ATOM 0 H ARG B 116 19.696 0.946 5.198 1.00 0.00 H new ATOM 0 HA ARG B 116 16.896 1.413 6.102 1.00 0.00 H new ATOM 0 HB2 ARG B 116 18.557 2.232 7.631 1.00 0.00 H new ATOM 0 HB3 ARG B 116 19.560 2.867 6.341 1.00 0.00 H new ATOM 0 HG2 ARG B 116 17.996 4.664 5.870 1.00 0.00 H new ATOM 0 HG3 ARG B 116 16.736 3.920 6.834 1.00 0.00 H new ATOM 0 HD2 ARG B 116 18.280 4.168 8.873 1.00 0.00 H new ATOM 0 HD3 ARG B 116 19.357 5.111 7.862 1.00 0.00 H new ATOM 0 HE ARG B 116 16.858 6.365 7.487 1.00 0.00 H new ATOM 0 HH11 ARG B 116 18.886 5.391 10.164 1.00 0.00 H new ATOM 0 HH12 ARG B 116 18.344 6.703 11.215 1.00 0.00 H new ATOM 0 HH21 ARG B 116 16.165 8.046 8.835 1.00 0.00 H new ATOM 0 HH22 ARG B 116 16.818 8.192 10.470 1.00 0.00 H new ATOM 1812 N HIS B 117 16.219 3.150 4.364 1.00 0.00 N ATOM 1813 CA HIS B 117 15.798 3.972 3.189 1.00 0.00 C ATOM 1814 C HIS B 117 15.511 5.396 3.642 1.00 0.00 C ATOM 1815 O HIS B 117 15.463 5.693 4.819 1.00 0.00 O ATOM 1816 CB HIS B 117 14.536 3.395 2.560 1.00 0.00 C ATOM 1817 CG HIS B 117 13.568 3.006 3.643 1.00 0.00 C ATOM 1818 ND1 HIS B 117 13.592 1.758 4.245 1.00 0.00 N ATOM 1819 CD2 HIS B 117 12.544 3.696 4.245 1.00 0.00 C ATOM 1820 CE1 HIS B 117 12.608 1.734 5.165 1.00 0.00 C ATOM 1821 NE2 HIS B 117 11.939 2.891 5.204 1.00 0.00 N ATOM 0 H HIS B 117 15.510 3.034 5.088 1.00 0.00 H new ATOM 0 HA HIS B 117 16.603 3.964 2.454 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.079 4.129 1.896 1.00 0.00 H new ATOM 0 HB3 HIS B 117 14.785 2.526 1.951 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.253 4.709 4.009 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.387 0.884 5.794 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.153 3.132 5.808 1.00 0.00 H new ATOM 1829 N TYR B 118 15.340 6.280 2.704 1.00 0.00 N ATOM 1830 CA TYR B 118 15.075 7.700 3.039 1.00 0.00 C ATOM 1831 C TYR B 118 13.889 8.195 2.202 1.00 0.00 C ATOM 1832 O TYR B 118 13.767 7.876 1.036 1.00 0.00 O ATOM 1833 CB TYR B 118 16.348 8.482 2.729 1.00 0.00 C ATOM 1834 CG TYR B 118 17.514 7.729 3.339 1.00 0.00 C ATOM 1835 CD1 TYR B 118 17.919 6.502 2.791 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.169 8.235 4.467 1.00 0.00 C ATOM 1837 CE1 TYR B 118 18.970 5.788 3.372 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.218 7.512 5.047 1.00 0.00 C ATOM 1839 CZ TYR B 118 19.616 6.291 4.503 1.00 0.00 C ATOM 1840 OH TYR B 118 20.645 5.580 5.086 1.00 0.00 O ATOM 0 H TYR B 118 15.373 6.075 1.705 1.00 0.00 H new ATOM 0 HA TYR B 118 14.817 7.832 4.090 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.481 8.584 1.652 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.287 9.490 3.140 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.417 6.109 1.919 1.00 0.00 H new ATOM 0 HD2 TYR B 118 17.866 9.182 4.889 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.283 4.846 2.946 1.00 0.00 H new ATOM 0 HE2 TYR B 118 19.721 7.901 5.920 1.00 0.00 H new ATOM 0 HH TYR B 118 20.858 4.799 4.533 1.00 0.00 H new ATOM 1850 N GLU B 119 12.993 8.940 2.800 1.00 0.00 N ATOM 1851 CA GLU B 119 11.783 9.417 2.054 1.00 0.00 C ATOM 1852 C GLU B 119 11.881 10.909 1.739 1.00 0.00 C ATOM 1853 O GLU B 119 12.444 11.684 2.486 1.00 0.00 O ATOM 1854 CB GLU B 119 10.540 9.169 2.912 1.00 0.00 C ATOM 1855 CG GLU B 119 10.080 7.720 2.743 1.00 0.00 C ATOM 1856 CD GLU B 119 9.010 7.399 3.787 1.00 0.00 C ATOM 1857 OE1 GLU B 119 7.848 7.635 3.507 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.371 6.920 4.851 1.00 0.00 O ATOM 0 H GLU B 119 13.045 9.240 3.774 1.00 0.00 H new ATOM 0 HA GLU B 119 11.718 8.869 1.114 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.763 9.370 3.960 1.00 0.00 H new ATOM 0 HB3 GLU B 119 9.742 9.851 2.619 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.681 7.569 1.740 1.00 0.00 H new ATOM 0 HG3 GLU B 119 10.927 7.043 2.855 1.00 0.00 H new ATOM 1865 N ARG B 120 11.311 11.314 0.635 1.00 0.00 N ATOM 1866 CA ARG B 120 11.341 12.759 0.259 1.00 0.00 C ATOM 1867 C ARG B 120 10.118 13.110 -0.595 1.00 0.00 C ATOM 1868 O ARG B 120 9.819 12.462 -1.579 1.00 0.00 O ATOM 1869 CB ARG B 120 12.604 13.065 -0.539 1.00 0.00 C ATOM 1870 CG ARG B 120 12.691 14.577 -0.809 1.00 0.00 C ATOM 1871 CD ARG B 120 12.782 14.833 -2.317 1.00 0.00 C ATOM 1872 NE ARG B 120 11.691 14.101 -3.018 1.00 0.00 N ATOM 1873 CZ ARG B 120 11.408 14.388 -4.259 1.00 0.00 C ATOM 1874 NH1 ARG B 120 12.081 15.315 -4.885 1.00 0.00 N ATOM 1875 NH2 ARG B 120 10.451 13.746 -4.876 1.00 0.00 N ATOM 0 H ARG B 120 10.825 10.706 -0.024 1.00 0.00 H new ATOM 0 HA ARG B 120 11.330 13.352 1.173 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.484 12.733 0.012 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.592 12.517 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG B 120 11.815 15.080 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.563 14.995 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.705 15.901 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.752 14.507 -2.693 1.00 0.00 H new ATOM 0 HE ARG B 120 11.166 13.376 -2.529 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.828 15.815 -4.404 1.00 0.00 H new ATOM 0 HH12 ARG B 120 11.859 15.539 -5.855 1.00 0.00 H new ATOM 0 HH21 ARG B 120 9.926 13.021 -4.387 1.00 0.00 H new ATOM 0 HH22 ARG B 120 10.229 13.970 -5.846 1.00 0.00 H new ATOM 1889 N LYS B 121 9.421 14.148 -0.225 1.00 0.00 N ATOM 1890 CA LYS B 121 8.223 14.579 -0.992 1.00 0.00 C ATOM 1891 C LYS B 121 7.299 13.393 -1.200 1.00 0.00 C ATOM 1892 O LYS B 121 6.486 13.373 -2.101 1.00 0.00 O ATOM 1893 CB LYS B 121 8.646 15.141 -2.350 1.00 0.00 C ATOM 1894 CG LYS B 121 9.389 16.464 -2.153 1.00 0.00 C ATOM 1895 CD LYS B 121 9.476 17.206 -3.488 1.00 0.00 C ATOM 1896 CE LYS B 121 10.172 18.552 -3.280 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.259 19.474 -2.552 1.00 0.00 N ATOM 0 H LYS B 121 9.636 14.724 0.589 1.00 0.00 H new ATOM 0 HA LYS B 121 7.701 15.354 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.287 14.426 -2.866 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.769 15.295 -2.979 1.00 0.00 H new ATOM 0 HG2 LYS B 121 8.870 17.078 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.390 16.277 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS B 121 10.028 16.608 -4.213 1.00 0.00 H new ATOM 0 HD3 LYS B 121 8.477 17.360 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS B 121 11.093 18.414 -2.714 1.00 0.00 H new ATOM 0 HE3 LYS B 121 10.450 18.983 -4.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 9.605 20.450 -2.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.303 19.406 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.230 19.211 -1.546 1.00 0.00 H new ATOM 1911 N GLY B 122 7.409 12.407 -0.363 1.00 0.00 N ATOM 1912 CA GLY B 122 6.523 11.226 -0.511 1.00 0.00 C ATOM 1913 C GLY B 122 7.145 10.237 -1.487 1.00 0.00 C ATOM 1914 O GLY B 122 6.460 9.518 -2.186 1.00 0.00 O ATOM 0 H GLY B 122 8.070 12.366 0.413 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.371 10.749 0.457 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.542 11.538 -0.870 1.00 0.00 H new ATOM 1918 N LEU B 123 8.443 10.195 -1.536 1.00 0.00 N ATOM 1919 CA LEU B 123 9.134 9.249 -2.454 1.00 0.00 C ATOM 1920 C LEU B 123 10.389 8.729 -1.767 1.00 0.00 C ATOM 1921 O LEU B 123 11.058 9.441 -1.048 1.00 0.00 O ATOM 1922 CB LEU B 123 9.514 9.958 -3.756 1.00 0.00 C ATOM 1923 CG LEU B 123 8.319 9.998 -4.707 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.726 10.749 -5.975 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.890 8.565 -5.066 1.00 0.00 C ATOM 0 H LEU B 123 9.062 10.780 -0.975 1.00 0.00 H new ATOM 0 HA LEU B 123 8.468 8.420 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.850 10.972 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.347 9.440 -4.230 1.00 0.00 H new ATOM 0 HG LEU B 123 7.482 10.506 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.882 10.785 -6.663 1.00 0.00 H new ATOM 0 HD12 LEU B 123 9.027 11.764 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.560 10.234 -6.451 1.00 0.00 H new ATOM 0 HD21 LEU B 123 7.037 8.600 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.718 8.048 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.610 8.031 -4.158 1.00 0.00 H new ATOM 1937 N ALA B 124 10.705 7.484 -1.970 1.00 0.00 N ATOM 1938 CA ALA B 124 11.906 6.913 -1.310 1.00 0.00 C ATOM 1939 C ALA B 124 13.177 7.376 -2.010 1.00 0.00 C ATOM 1940 O ALA B 124 13.188 7.655 -3.193 1.00 0.00 O ATOM 1941 CB ALA B 124 11.854 5.389 -1.375 1.00 0.00 C ATOM 0 H ALA B 124 10.184 6.838 -2.563 1.00 0.00 H new ATOM 0 HA ALA B 124 11.915 7.252 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.737 4.974 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.959 5.033 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.829 5.070 -2.417 1.00 0.00 H new ATOM 1947 N TYR B 125 14.255 7.428 -1.282 1.00 0.00 N ATOM 1948 CA TYR B 125 15.544 7.838 -1.885 1.00 0.00 C ATOM 1949 C TYR B 125 16.672 7.222 -1.081 1.00 0.00 C ATOM 1950 O TYR B 125 16.615 7.165 0.125 1.00 0.00 O ATOM 1951 CB TYR B 125 15.673 9.355 -1.845 1.00 0.00 C ATOM 1952 CG TYR B 125 14.808 9.949 -2.912 1.00 0.00 C ATOM 1953 CD1 TYR B 125 15.265 10.009 -4.230 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.546 10.437 -2.582 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.442 10.563 -5.225 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.734 10.988 -3.563 1.00 0.00 C ATOM 1957 CZ TYR B 125 13.176 11.053 -4.888 1.00 0.00 C ATOM 1958 OH TYR B 125 12.366 11.600 -5.861 1.00 0.00 O ATOM 0 H TYR B 125 14.295 7.202 -0.288 1.00 0.00 H new ATOM 0 HA TYR B 125 15.589 7.502 -2.921 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.375 9.732 -0.867 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.712 9.648 -1.997 1.00 0.00 H new ATOM 0 HD1 TYR B 125 16.245 9.632 -4.483 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.199 10.386 -1.561 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.786 10.610 -6.248 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.757 11.368 -3.302 1.00 0.00 H new ATOM 0 HH TYR B 125 11.426 11.454 -5.625 1.00 0.00 H new ATOM 1968 N CYS B 126 17.701 6.761 -1.720 1.00 0.00 N ATOM 1969 CA CYS B 126 18.810 6.167 -0.934 1.00 0.00 C ATOM 1970 C CYS B 126 19.320 7.219 0.054 1.00 0.00 C ATOM 1971 O CYS B 126 18.875 8.350 0.057 1.00 0.00 O ATOM 1972 CB CYS B 126 19.964 5.772 -1.853 1.00 0.00 C ATOM 1973 SG CYS B 126 19.477 4.392 -2.903 1.00 0.00 S ATOM 0 H CYS B 126 17.824 6.767 -2.733 1.00 0.00 H new ATOM 0 HA CYS B 126 18.445 5.281 -0.414 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.255 6.622 -2.469 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.835 5.496 -1.258 1.00 0.00 H new ATOM 0 HG CYS B 126 19.602 4.732 -4.152 1.00 0.00 H new ATOM 1978 N GLU B 127 20.265 6.863 0.872 1.00 0.00 N ATOM 1979 CA GLU B 127 20.828 7.847 1.845 1.00 0.00 C ATOM 1980 C GLU B 127 21.507 8.984 1.080 1.00 0.00 C ATOM 1981 O GLU B 127 21.495 10.126 1.497 1.00 0.00 O ATOM 1982 CB GLU B 127 21.885 7.160 2.713 1.00 0.00 C ATOM 1983 CG GLU B 127 22.308 8.096 3.852 1.00 0.00 C ATOM 1984 CD GLU B 127 23.047 7.292 4.925 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.554 6.231 4.600 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.091 7.752 6.052 1.00 0.00 O ATOM 0 H GLU B 127 20.677 5.931 0.913 1.00 0.00 H new ATOM 0 HA GLU B 127 20.021 8.235 2.467 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.486 6.232 3.122 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.751 6.895 2.107 1.00 0.00 H new ATOM 0 HG2 GLU B 127 22.952 8.887 3.467 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.432 8.580 4.284 1.00 0.00 H new ATOM 1993 N THR B 128 22.129 8.666 -0.021 1.00 0.00 N ATOM 1994 CA THR B 128 22.851 9.705 -0.812 1.00 0.00 C ATOM 1995 C THR B 128 21.916 10.405 -1.792 1.00 0.00 C ATOM 1996 O THR B 128 21.957 11.609 -1.932 1.00 0.00 O ATOM 1997 CB THR B 128 23.996 9.047 -1.585 1.00 0.00 C ATOM 1998 OG1 THR B 128 24.943 8.522 -0.667 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.673 10.083 -2.484 1.00 0.00 C ATOM 0 H THR B 128 22.169 7.724 -0.411 1.00 0.00 H new ATOM 0 HA THR B 128 23.241 10.452 -0.121 1.00 0.00 H new ATOM 0 HB THR B 128 23.601 8.240 -2.202 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.676 8.099 -1.160 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.488 9.611 -3.033 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.945 10.484 -3.189 1.00 0.00 H new ATOM 0 HG23 THR B 128 25.069 10.893 -1.871 1.00 0.00 H new ATOM 2007 N HIS B 129 21.083 9.684 -2.479 1.00 0.00 N ATOM 2008 CA HIS B 129 20.183 10.350 -3.441 1.00 0.00 C ATOM 2009 C HIS B 129 19.213 11.213 -2.660 1.00 0.00 C ATOM 2010 O HIS B 129 18.979 12.356 -2.993 1.00 0.00 O ATOM 2011 CB HIS B 129 19.444 9.300 -4.271 1.00 0.00 C ATOM 2012 CG HIS B 129 20.466 8.515 -5.063 1.00 0.00 C ATOM 2013 ND1 HIS B 129 20.400 7.133 -5.254 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.605 8.922 -5.717 1.00 0.00 C ATOM 2015 CE1 HIS B 129 21.469 6.779 -5.993 1.00 0.00 C ATOM 2016 NE2 HIS B 129 22.233 7.827 -6.301 1.00 0.00 N ATOM 0 H HIS B 129 20.989 8.670 -2.415 1.00 0.00 H new ATOM 0 HA HIS B 129 20.750 10.977 -4.129 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.874 8.635 -3.622 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.731 9.779 -4.941 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.959 9.941 -5.769 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.682 5.766 -6.300 1.00 0.00 H new ATOM 0 HE2 HIS B 129 23.094 7.826 -6.848 1.00 0.00 H new ATOM 2024 N TYR B 130 18.684 10.702 -1.593 1.00 0.00 N ATOM 2025 CA TYR B 130 17.775 11.515 -0.777 1.00 0.00 C ATOM 2026 C TYR B 130 18.482 12.814 -0.480 1.00 0.00 C ATOM 2027 O TYR B 130 18.006 13.893 -0.765 1.00 0.00 O ATOM 2028 CB TYR B 130 17.529 10.793 0.538 1.00 0.00 C ATOM 2029 CG TYR B 130 16.832 11.717 1.502 1.00 0.00 C ATOM 2030 CD1 TYR B 130 15.854 12.602 1.037 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.166 11.696 2.862 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.212 13.454 1.924 1.00 0.00 C ATOM 2033 CE2 TYR B 130 16.518 12.554 3.753 1.00 0.00 C ATOM 2034 CZ TYR B 130 15.539 13.435 3.285 1.00 0.00 C ATOM 2035 OH TYR B 130 14.896 14.285 4.164 1.00 0.00 O ATOM 0 H TYR B 130 18.846 9.753 -1.255 1.00 0.00 H new ATOM 0 HA TYR B 130 16.830 11.686 -1.293 1.00 0.00 H new ATOM 0 HB2 TYR B 130 16.922 9.904 0.368 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.475 10.456 0.962 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.599 12.622 -0.012 1.00 0.00 H new ATOM 0 HD2 TYR B 130 17.925 11.016 3.221 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.456 14.135 1.563 1.00 0.00 H new ATOM 0 HE2 TYR B 130 16.773 12.537 4.802 1.00 0.00 H new ATOM 0 HH TYR B 130 15.495 15.023 4.402 1.00 0.00 H new ATOM 2045 N ASN B 131 19.630 12.693 0.101 1.00 0.00 N ATOM 2046 CA ASN B 131 20.408 13.895 0.437 1.00 0.00 C ATOM 2047 C ASN B 131 20.808 14.606 -0.850 1.00 0.00 C ATOM 2048 O ASN B 131 20.675 15.808 -0.968 1.00 0.00 O ATOM 2049 CB ASN B 131 21.656 13.506 1.229 1.00 0.00 C ATOM 2050 CG ASN B 131 21.273 13.221 2.682 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.186 14.127 3.488 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.040 11.993 3.055 1.00 0.00 N ATOM 0 H ASN B 131 20.064 11.806 0.358 1.00 0.00 H new ATOM 0 HA ASN B 131 19.801 14.562 1.049 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.121 12.626 0.785 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.391 14.310 1.187 1.00 0.00 H new ATOM 0 HD21 ASN B 131 20.785 11.793 4.022 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.113 11.232 2.379 1.00 0.00 H new ATOM 2059 N GLN B 132 21.269 13.879 -1.834 1.00 0.00 N ATOM 2060 CA GLN B 132 21.636 14.555 -3.109 1.00 0.00 C ATOM 2061 C GLN B 132 20.415 15.339 -3.556 1.00 0.00 C ATOM 2062 O GLN B 132 20.502 16.414 -4.116 1.00 0.00 O ATOM 2063 CB GLN B 132 22.007 13.525 -4.183 1.00 0.00 C ATOM 2064 CG GLN B 132 22.835 14.200 -5.279 1.00 0.00 C ATOM 2065 CD GLN B 132 24.259 14.437 -4.776 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.528 14.310 -3.597 1.00 0.00 O ATOM 2067 NE2 GLN B 132 25.189 14.778 -5.622 1.00 0.00 N ATOM 0 H GLN B 132 21.405 12.868 -1.811 1.00 0.00 H new ATOM 0 HA GLN B 132 22.499 15.205 -2.961 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.574 12.708 -3.737 1.00 0.00 H new ATOM 0 HB3 GLN B 132 21.104 13.090 -4.611 1.00 0.00 H new ATOM 0 HG2 GLN B 132 22.854 13.575 -6.172 1.00 0.00 H new ATOM 0 HG3 GLN B 132 22.377 15.147 -5.563 1.00 0.00 H new ATOM 0 HE21 GLN B 132 24.964 14.885 -6.611 1.00 0.00 H new ATOM 0 HE22 GLN B 132 26.142 14.938 -5.295 1.00 0.00 H new ATOM 2076 N LEU B 133 19.267 14.793 -3.283 1.00 0.00 N ATOM 2077 CA LEU B 133 17.997 15.471 -3.645 1.00 0.00 C ATOM 2078 C LEU B 133 17.699 16.569 -2.627 1.00 0.00 C ATOM 2079 O LEU B 133 17.158 17.607 -2.957 1.00 0.00 O ATOM 2080 CB LEU B 133 16.855 14.442 -3.625 1.00 0.00 C ATOM 2081 CG LEU B 133 16.659 13.821 -5.017 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.504 12.556 -5.165 1.00 0.00 C ATOM 2083 CD2 LEU B 133 15.189 13.458 -5.198 1.00 0.00 C ATOM 0 H LEU B 133 19.154 13.892 -2.818 1.00 0.00 H new ATOM 0 HA LEU B 133 18.086 15.909 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU B 133 17.077 13.659 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU B 133 15.931 14.923 -3.302 1.00 0.00 H new ATOM 0 HG LEU B 133 16.969 14.544 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU B 133 17.352 12.131 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU B 133 18.557 12.805 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU B 133 17.206 11.829 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU B 133 15.042 13.017 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.894 12.741 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU B 133 14.579 14.357 -5.108 1.00 0.00 H new ATOM 2095 N PHE B 134 18.034 16.346 -1.387 1.00 0.00 N ATOM 2096 CA PHE B 134 17.757 17.371 -0.343 1.00 0.00 C ATOM 2097 C PHE B 134 18.670 17.150 0.863 1.00 0.00 C ATOM 2098 O PHE B 134 19.684 17.800 1.018 1.00 0.00 O ATOM 2099 CB PHE B 134 16.294 17.246 0.102 1.00 0.00 C ATOM 2100 CG PHE B 134 15.415 18.063 -0.810 1.00 0.00 C ATOM 2101 CD1 PHE B 134 15.238 19.432 -0.574 1.00 0.00 C ATOM 2102 CD2 PHE B 134 14.782 17.453 -1.896 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.424 20.190 -1.425 1.00 0.00 C ATOM 2104 CE2 PHE B 134 13.966 18.209 -2.748 1.00 0.00 C ATOM 2105 CZ PHE B 134 13.790 19.578 -2.513 1.00 0.00 C ATOM 0 H PHE B 134 18.488 15.497 -1.051 1.00 0.00 H new ATOM 0 HA PHE B 134 17.942 18.364 -0.753 1.00 0.00 H new ATOM 0 HB2 PHE B 134 15.985 16.201 0.081 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.186 17.589 1.131 1.00 0.00 H new ATOM 0 HD1 PHE B 134 15.729 19.903 0.264 1.00 0.00 H new ATOM 0 HD2 PHE B 134 14.922 16.398 -2.079 1.00 0.00 H new ATOM 0 HE1 PHE B 134 14.285 21.245 -1.242 1.00 0.00 H new ATOM 0 HE2 PHE B 134 13.473 17.736 -3.585 1.00 0.00 H new ATOM 0 HZ PHE B 134 13.165 20.162 -3.172 1.00 0.00 H new ATOM 2115 N GLY B 135 18.306 16.243 1.719 1.00 0.00 N ATOM 2116 CA GLY B 135 19.136 15.973 2.930 1.00 0.00 C ATOM 2117 C GLY B 135 18.716 16.915 4.058 1.00 0.00 C ATOM 2118 O GLY B 135 19.514 17.306 4.885 1.00 0.00 O ATOM 0 H GLY B 135 17.465 15.671 1.636 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.014 14.936 3.244 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.192 16.114 2.699 1.00 0.00 H new ATOM 2122 N ASP B 136 17.465 17.286 4.095 1.00 0.00 N ATOM 2123 CA ASP B 136 16.991 18.203 5.168 1.00 0.00 C ATOM 2124 C ASP B 136 17.943 19.396 5.280 1.00 0.00 C ATOM 2125 O ASP B 136 18.415 19.727 6.348 1.00 0.00 O ATOM 2126 CB ASP B 136 16.955 17.455 6.501 1.00 0.00 C ATOM 2127 CG ASP B 136 15.775 16.478 6.506 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.212 16.257 5.448 1.00 0.00 O ATOM 2129 OD2 ASP B 136 15.459 15.970 7.568 1.00 0.00 O ATOM 0 H ASP B 136 16.751 16.993 3.428 1.00 0.00 H new ATOM 0 HA ASP B 136 15.990 18.558 4.923 1.00 0.00 H new ATOM 0 HB2 ASP B 136 17.889 16.914 6.652 1.00 0.00 H new ATOM 0 HB3 ASP B 136 16.859 18.162 7.325 1.00 0.00 H new ATOM 2134 N VAL B 137 18.226 20.045 4.184 1.00 0.00 N ATOM 2135 CA VAL B 137 19.148 21.215 4.228 1.00 0.00 C ATOM 2136 C VAL B 137 18.974 22.051 2.957 1.00 0.00 C ATOM 2137 O VAL B 137 19.399 21.844 2.950 1.00 0.00 O ATOM 2138 CB VAL B 137 20.593 20.724 4.320 1.00 0.00 C ATOM 2139 CG1 VAL B 137 20.957 19.965 3.044 1.00 0.00 C ATOM 2140 CG2 VAL B 137 21.530 21.924 4.484 1.00 0.00 C ATOM 0 H VAL B 137 17.859 19.816 3.260 1.00 0.00 H new ATOM 0 HA VAL B 137 18.916 21.826 5.100 1.00 0.00 H new ATOM 0 HB VAL B 137 20.697 20.061 5.179 1.00 0.00 H new ATOM 0 HG11 VAL B 137 21.987 19.615 3.110 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.291 19.111 2.926 1.00 0.00 H new ATOM 0 HG13 VAL B 137 20.853 20.627 2.185 1.00 0.00 H new ATOM 0 HG21 VAL B 137 22.560 21.575 4.550 1.00 0.00 H new ATOM 0 HG22 VAL B 137 21.426 22.587 3.625 1.00 0.00 H new ATOM 0 HG23 VAL B 137 21.272 22.466 5.394 1.00 0.00 H new