USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 993 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 TYR OH : rot 165:sc= 0.752 USER MOD Set 1.2: A 82 TYR OH : rot 9:sc= 1.6 USER MOD Set 2.1: A 24 LYS NZ :NH3+ 178:sc= 0.065 (180deg=0) USER MOD Set 2.2: A 26 THR OG1 : rot -140:sc= 0.00357 USER MOD Set 3.1: A 23 THR OG1 : rot 77:sc= 1.9 USER MOD Set 3.2: A 89 TYR OH : rot 55:sc= 0.771 USER MOD Set 4.1: A 9 ASN : amide:sc= 0.387 K(o=0.59,f=-3.5!) USER MOD Set 4.2: A 10 THR OG1 : rot 57:sc= 0.205 USER MOD Set 5.1: A 8 ASN : amide:sc= -2.92! C(o=-2.1!,f=-8.1!) USER MOD Set 5.2: A 19 SER OG : rot 69:sc= 0.795 USER MOD Single : A 1 LYS N :NH3+ -175:sc= -0.75 (180deg=-0.961) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00949 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.0182 (180deg=-0.224) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 1.13 (180deg=0.75) USER MOD Single : A 15 THR OG1 : rot -160:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0448 USER MOD Single : A 32 GLN : amide:sc= 1.12 K(o=1.1,f=-0.54) USER MOD Single : A 34 SER OG : rot 29:sc= 1.33 USER MOD Single : A 37 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 41 THR OG1 : rot 71:sc= 1.05 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.0909 K(o=0.091,f=-3.3!) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.711 USER MOD Single : A 65 LYS NZ :NH3+ 171:sc=-0.00988 (180deg=-0.135) USER MOD Single : A 66 LYS NZ :NH3+ 172:sc=-0.00325 (180deg=-0.0951) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -152:sc= -0.439 (180deg=-1.62!) USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= -0.262 (180deg=-0.327) USER MOD Single : A 81 GLN : amide:sc= 0.55 K(o=0.55,f=-0.047) USER MOD Single : A 84 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 87 MET CE :methyl -157:sc= -1.97 (180deg=-4.46!) USER MOD Single : A 92 GLN : amide:sc= 0.122 X(o=0.12,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.0579 K(o=-0.058,f=-1.6) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -0.169 (180deg=-0.685) USER MOD Single : A 95 MET CE :methyl 162:sc= -8.61! (180deg=-9.96!) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.0282 F(o=-2!,f=-0.028) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 110 LYS NZ :NH3+ -150:sc= 1.17 (180deg=1.1) USER MOD Single : A 113 HIS : no HE2:sc= 1.21 K(o=1.2,f=-5!) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HE2:sc= 0.754 K(o=0.75,f=-5.4!) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -17.146 -1.514 -11.426 1.00 0.00 N ATOM 2 CA LYS A 1 -17.059 -0.878 -12.758 1.00 0.00 C ATOM 3 C LYS A 1 -16.470 0.527 -12.638 1.00 0.00 C ATOM 4 O LYS A 1 -16.408 1.272 -13.619 1.00 0.00 O ATOM 5 CB LYS A 1 -18.454 -0.825 -13.395 1.00 0.00 C ATOM 6 CG LYS A 1 -19.121 -2.191 -13.489 1.00 0.00 C ATOM 7 CD LYS A 1 -20.559 -2.101 -13.977 1.00 0.00 C ATOM 8 CE LYS A 1 -21.223 -3.470 -13.974 1.00 0.00 C ATOM 9 NZ LYS A 1 -22.640 -3.416 -14.422 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.468 -2.497 -11.531 1.00 0.00 H new ATOM 0 H2 LYS A 1 -16.209 -1.503 -10.974 1.00 0.00 H new ATOM 0 H3 LYS A 1 -17.822 -0.990 -10.835 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.401 -1.469 -13.395 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -19.088 -0.157 -12.812 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -18.374 -0.397 -14.394 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -18.549 -2.826 -14.166 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -19.102 -2.670 -12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -21.121 -1.419 -13.339 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -20.580 -1.685 -14.984 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -20.665 -4.143 -14.625 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -21.179 -3.890 -12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -23.047 -4.373 -14.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -23.182 -2.796 -13.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -22.684 -3.041 -15.391 1.00 0.00 H new ATOM 25 N SER A 2 -16.000 0.866 -11.438 1.00 0.00 N ATOM 26 CA SER A 2 -15.469 2.192 -11.155 1.00 0.00 C ATOM 27 C SER A 2 -14.029 2.325 -11.642 1.00 0.00 C ATOM 28 O SER A 2 -13.403 3.372 -11.487 1.00 0.00 O ATOM 29 CB SER A 2 -15.562 2.482 -9.655 1.00 0.00 C ATOM 30 OG SER A 2 -15.047 1.403 -8.888 1.00 0.00 O ATOM 0 H SER A 2 -15.978 0.230 -10.641 1.00 0.00 H new ATOM 0 HA SER A 2 -16.068 2.925 -11.695 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.009 3.392 -9.423 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.601 2.662 -9.381 1.00 0.00 H new ATOM 0 HG SER A 2 -15.118 1.617 -7.934 1.00 0.00 H new ATOM 36 N VAL A 3 -13.507 1.250 -12.218 1.00 0.00 N ATOM 37 CA VAL A 3 -12.214 1.298 -12.879 1.00 0.00 C ATOM 38 C VAL A 3 -12.397 1.911 -14.260 1.00 0.00 C ATOM 39 O VAL A 3 -11.558 2.672 -14.739 1.00 0.00 O ATOM 40 CB VAL A 3 -11.586 -0.109 -13.009 1.00 0.00 C ATOM 41 CG1 VAL A 3 -10.198 -0.031 -13.624 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.534 -0.797 -11.654 1.00 0.00 C ATOM 0 H VAL A 3 -13.960 0.336 -12.240 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.537 1.904 -12.277 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.216 -0.701 -13.673 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.779 -1.034 -13.704 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.264 0.415 -14.616 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.554 0.582 -12.993 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.089 -1.786 -11.765 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.931 -0.203 -10.967 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.544 -0.896 -11.257 1.00 0.00 H new ATOM 52 N GLN A 4 -13.525 1.581 -14.880 1.00 0.00 N ATOM 53 CA GLN A 4 -13.903 2.166 -16.155 1.00 0.00 C ATOM 54 C GLN A 4 -14.485 3.555 -15.929 1.00 0.00 C ATOM 55 O GLN A 4 -14.217 4.488 -16.688 1.00 0.00 O ATOM 56 CB GLN A 4 -14.928 1.279 -16.861 1.00 0.00 C ATOM 57 CG GLN A 4 -15.359 1.802 -18.222 1.00 0.00 C ATOM 58 CD GLN A 4 -16.373 0.899 -18.893 1.00 0.00 C ATOM 59 OE1 GLN A 4 -16.387 -0.311 -18.669 1.00 0.00 O ATOM 60 NE2 GLN A 4 -17.223 1.473 -19.727 1.00 0.00 N ATOM 0 H GLN A 4 -14.196 0.906 -14.514 1.00 0.00 H new ATOM 0 HA GLN A 4 -13.017 2.245 -16.785 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -14.508 0.280 -16.982 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -15.808 1.180 -16.225 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -15.784 2.799 -18.107 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.484 1.901 -18.864 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.180 2.480 -19.887 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.922 0.909 -20.211 1.00 0.00 H new ATOM 69 N GLU A 5 -15.290 3.679 -14.879 1.00 0.00 N ATOM 70 CA GLU A 5 -15.877 4.957 -14.510 1.00 0.00 C ATOM 71 C GLU A 5 -14.784 5.927 -14.071 1.00 0.00 C ATOM 72 O GLU A 5 -13.896 5.569 -13.300 1.00 0.00 O ATOM 73 CB GLU A 5 -16.913 4.765 -13.397 1.00 0.00 C ATOM 74 CG GLU A 5 -18.055 3.842 -13.798 1.00 0.00 C ATOM 75 CD GLU A 5 -19.103 3.666 -12.713 1.00 0.00 C ATOM 76 OE1 GLU A 5 -18.765 3.156 -11.626 1.00 0.00 O ATOM 77 OE2 GLU A 5 -20.281 4.005 -12.960 1.00 0.00 O ATOM 0 H GLU A 5 -15.550 2.905 -14.268 1.00 0.00 H new ATOM 0 HA GLU A 5 -16.384 5.378 -15.378 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.419 4.359 -12.514 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.320 5.736 -13.116 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.534 4.238 -14.694 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.647 2.866 -14.060 1.00 0.00 H new ATOM 84 N LYS A 6 -14.844 7.145 -14.581 1.00 0.00 N ATOM 85 CA LYS A 6 -13.826 8.145 -14.288 1.00 0.00 C ATOM 86 C LYS A 6 -13.957 8.640 -12.852 1.00 0.00 C ATOM 87 O LYS A 6 -12.982 9.075 -12.237 1.00 0.00 O ATOM 88 CB LYS A 6 -13.942 9.318 -15.264 1.00 0.00 C ATOM 89 CG LYS A 6 -13.804 8.916 -16.725 1.00 0.00 C ATOM 90 CD LYS A 6 -13.986 10.111 -17.647 1.00 0.00 C ATOM 91 CE LYS A 6 -13.834 9.726 -19.111 1.00 0.00 C ATOM 92 NZ LYS A 6 -12.498 9.146 -19.402 1.00 0.00 N ATOM 0 H LYS A 6 -15.587 7.468 -15.201 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.845 7.684 -14.405 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.907 9.804 -15.120 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.175 10.055 -15.025 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.822 8.472 -16.891 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.544 8.152 -16.966 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.972 10.546 -17.487 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.254 10.878 -17.395 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.607 9.005 -19.378 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.990 10.606 -19.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.355 9.103 -20.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.760 9.742 -18.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.442 8.187 -19.004 1.00 0.00 H new ATOM 106 N ARG A 7 -15.168 8.564 -12.325 1.00 0.00 N ATOM 107 CA ARG A 7 -15.441 8.985 -10.964 1.00 0.00 C ATOM 108 C ARG A 7 -15.608 7.775 -10.059 1.00 0.00 C ATOM 109 O ARG A 7 -16.632 7.092 -10.102 1.00 0.00 O ATOM 110 CB ARG A 7 -16.699 9.855 -10.930 1.00 0.00 C ATOM 111 CG ARG A 7 -16.517 11.194 -11.625 1.00 0.00 C ATOM 112 CD ARG A 7 -15.854 12.207 -10.708 1.00 0.00 C ATOM 113 NE ARG A 7 -16.837 13.106 -10.109 1.00 0.00 N ATOM 114 CZ ARG A 7 -16.944 13.344 -8.803 1.00 0.00 C ATOM 115 NH1 ARG A 7 -16.159 12.716 -7.936 1.00 0.00 N ATOM 116 NH2 ARG A 7 -17.850 14.209 -8.365 1.00 0.00 N ATOM 0 H ARG A 7 -15.983 8.211 -12.826 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.597 9.572 -10.600 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -17.519 9.315 -11.403 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.987 10.027 -9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.912 11.061 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.487 11.573 -11.948 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -15.308 11.686 -9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -15.124 12.787 -11.272 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.486 13.584 -10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -15.467 12.045 -8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -16.248 12.905 -6.938 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -18.460 14.688 -9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -17.936 14.395 -7.366 1.00 0.00 H new ATOM 130 N ASN A 8 -14.587 7.499 -9.262 1.00 0.00 N ATOM 131 CA ASN A 8 -14.638 6.393 -8.318 1.00 0.00 C ATOM 132 C ASN A 8 -15.476 6.800 -7.113 1.00 0.00 C ATOM 133 O ASN A 8 -15.180 7.792 -6.448 1.00 0.00 O ATOM 134 CB ASN A 8 -13.226 5.996 -7.872 1.00 0.00 C ATOM 135 CG ASN A 8 -13.186 4.651 -7.160 1.00 0.00 C ATOM 136 OD1 ASN A 8 -14.166 4.219 -6.553 1.00 0.00 O ATOM 137 ND2 ASN A 8 -12.047 3.978 -7.230 1.00 0.00 N ATOM 0 H ASN A 8 -13.713 8.025 -9.250 1.00 0.00 H new ATOM 0 HA ASN A 8 -15.094 5.530 -8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.572 5.960 -8.743 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -12.830 6.765 -7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.962 3.071 -6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.255 4.367 -7.742 1.00 0.00 H new ATOM 144 N ASN A 9 -16.527 6.043 -6.846 1.00 0.00 N ATOM 145 CA ASN A 9 -17.454 6.375 -5.771 1.00 0.00 C ATOM 146 C ASN A 9 -17.053 5.691 -4.470 1.00 0.00 C ATOM 147 O ASN A 9 -17.610 5.975 -3.408 1.00 0.00 O ATOM 148 CB ASN A 9 -18.880 5.961 -6.154 1.00 0.00 C ATOM 149 CG ASN A 9 -19.065 4.452 -6.215 1.00 0.00 C ATOM 150 OD1 ASN A 9 -18.128 3.702 -6.503 1.00 0.00 O ATOM 151 ND2 ASN A 9 -20.280 3.996 -5.957 1.00 0.00 N ATOM 0 H ASN A 9 -16.762 5.193 -7.358 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.419 7.454 -5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.580 6.378 -5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.129 6.392 -7.124 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.467 2.994 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.030 4.647 -5.722 1.00 0.00 H new ATOM 158 N THR A 10 -16.080 4.798 -4.551 1.00 0.00 N ATOM 159 CA THR A 10 -15.670 4.022 -3.400 1.00 0.00 C ATOM 160 C THR A 10 -14.350 4.533 -2.835 1.00 0.00 C ATOM 161 O THR A 10 -13.279 4.255 -3.377 1.00 0.00 O ATOM 162 CB THR A 10 -15.536 2.532 -3.765 1.00 0.00 C ATOM 163 OG1 THR A 10 -16.762 2.063 -4.348 1.00 0.00 O ATOM 164 CG2 THR A 10 -15.208 1.697 -2.538 1.00 0.00 C ATOM 0 H THR A 10 -15.561 4.595 -5.405 1.00 0.00 H new ATOM 0 HA THR A 10 -16.442 4.133 -2.638 1.00 0.00 H new ATOM 0 HB THR A 10 -14.722 2.429 -4.482 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.987 2.615 -5.126 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.119 0.649 -2.824 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.266 2.037 -2.108 1.00 0.00 H new ATOM 0 HG23 THR A 10 -16.004 1.805 -1.801 1.00 0.00 H new ATOM 172 N ARG A 11 -14.432 5.292 -1.749 1.00 0.00 N ATOM 173 CA ARG A 11 -13.241 5.779 -1.072 1.00 0.00 C ATOM 174 C ARG A 11 -12.718 4.713 -0.118 1.00 0.00 C ATOM 175 O ARG A 11 -12.717 4.886 1.104 1.00 0.00 O ATOM 176 CB ARG A 11 -13.518 7.085 -0.314 1.00 0.00 C ATOM 177 CG ARG A 11 -13.923 8.251 -1.209 1.00 0.00 C ATOM 178 CD ARG A 11 -13.959 9.565 -0.436 1.00 0.00 C ATOM 179 NE ARG A 11 -14.791 9.471 0.762 1.00 0.00 N ATOM 180 CZ ARG A 11 -14.629 10.221 1.848 1.00 0.00 C ATOM 181 NH1 ARG A 11 -13.740 11.205 1.859 1.00 0.00 N ATOM 182 NH2 ARG A 11 -15.389 10.008 2.910 1.00 0.00 N ATOM 0 H ARG A 11 -15.311 5.582 -1.320 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.484 5.991 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.309 6.909 0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.625 7.364 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.221 8.335 -2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.904 8.055 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.945 9.847 -0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.341 10.356 -1.082 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.546 8.785 0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.175 11.391 1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.622 11.776 2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.095 9.272 2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.269 10.580 3.746 1.00 0.00 H new ATOM 196 N ALA A 12 -12.324 3.587 -0.687 1.00 0.00 N ATOM 197 CA ALA A 12 -11.733 2.499 0.072 1.00 0.00 C ATOM 198 C ALA A 12 -10.358 2.185 -0.487 1.00 0.00 C ATOM 199 O ALA A 12 -10.166 2.195 -1.703 1.00 0.00 O ATOM 200 CB ALA A 12 -12.624 1.265 0.038 1.00 0.00 C ATOM 0 H ALA A 12 -12.405 3.401 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.635 2.805 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.159 0.465 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.595 1.506 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.756 0.940 -0.994 1.00 0.00 H new ATOM 206 N PHE A 13 -9.415 1.888 0.399 1.00 0.00 N ATOM 207 CA PHE A 13 -8.009 1.769 0.025 1.00 0.00 C ATOM 208 C PHE A 13 -7.806 0.793 -1.134 1.00 0.00 C ATOM 209 O PHE A 13 -7.100 1.108 -2.085 1.00 0.00 O ATOM 210 CB PHE A 13 -7.174 1.331 1.231 1.00 0.00 C ATOM 211 CG PHE A 13 -5.694 1.552 1.064 1.00 0.00 C ATOM 212 CD1 PHE A 13 -4.924 0.674 0.315 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.072 2.637 1.661 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.567 0.875 0.166 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.713 2.842 1.515 1.00 0.00 C ATOM 216 CZ PHE A 13 -2.959 1.961 0.767 1.00 0.00 C ATOM 0 H PHE A 13 -9.600 1.724 1.389 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.677 2.752 -0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.515 1.874 2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.354 0.273 1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.392 -0.177 -0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.656 3.331 2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.980 0.184 -0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.241 3.692 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.897 2.120 0.652 1.00 0.00 H new ATOM 226 N LYS A 14 -8.441 -0.376 -1.068 1.00 0.00 N ATOM 227 CA LYS A 14 -8.246 -1.404 -2.092 1.00 0.00 C ATOM 228 C LYS A 14 -8.689 -0.912 -3.473 1.00 0.00 C ATOM 229 O LYS A 14 -8.044 -1.203 -4.484 1.00 0.00 O ATOM 230 CB LYS A 14 -8.996 -2.696 -1.738 1.00 0.00 C ATOM 231 CG LYS A 14 -10.510 -2.545 -1.674 1.00 0.00 C ATOM 232 CD LYS A 14 -11.205 -3.890 -1.815 1.00 0.00 C ATOM 233 CE LYS A 14 -12.720 -3.744 -1.830 1.00 0.00 C ATOM 234 NZ LYS A 14 -13.267 -3.428 -0.483 1.00 0.00 N ATOM 0 H LYS A 14 -9.089 -0.635 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.178 -1.617 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.750 -3.459 -2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.638 -3.058 -0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.792 -2.085 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.845 -1.875 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.877 -4.374 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.910 -4.540 -0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.001 -2.956 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.169 -4.668 -2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.221 -3.027 -0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.314 -4.298 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.649 -2.738 -0.010 1.00 0.00 H new ATOM 248 N THR A 15 -9.778 -0.158 -3.510 1.00 0.00 N ATOM 249 CA THR A 15 -10.340 0.314 -4.764 1.00 0.00 C ATOM 250 C THR A 15 -9.555 1.512 -5.287 1.00 0.00 C ATOM 251 O THR A 15 -9.336 1.653 -6.493 1.00 0.00 O ATOM 252 CB THR A 15 -11.823 0.691 -4.580 1.00 0.00 C ATOM 253 OG1 THR A 15 -12.485 -0.343 -3.842 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.514 0.875 -5.923 1.00 0.00 C ATOM 0 H THR A 15 -10.291 0.140 -2.681 1.00 0.00 H new ATOM 0 HA THR A 15 -10.271 -0.492 -5.495 1.00 0.00 H new ATOM 0 HB THR A 15 -11.874 1.635 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.452 -0.282 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.559 1.140 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.020 1.671 -6.481 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.459 -0.054 -6.491 1.00 0.00 H new ATOM 262 N VAL A 16 -9.117 2.358 -4.368 1.00 0.00 N ATOM 263 CA VAL A 16 -8.316 3.519 -4.716 1.00 0.00 C ATOM 264 C VAL A 16 -6.926 3.091 -5.164 1.00 0.00 C ATOM 265 O VAL A 16 -6.390 3.612 -6.140 1.00 0.00 O ATOM 266 CB VAL A 16 -8.200 4.494 -3.533 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.328 5.688 -3.899 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.585 4.941 -3.090 1.00 0.00 C ATOM 0 H VAL A 16 -9.305 2.261 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.818 4.031 -5.537 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.721 3.980 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.260 6.364 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.330 5.341 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.769 6.214 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.494 5.631 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.088 5.440 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.167 4.072 -2.783 1.00 0.00 H new ATOM 278 N ALA A 17 -6.356 2.123 -4.459 1.00 0.00 N ATOM 279 CA ALA A 17 -5.059 1.575 -4.826 1.00 0.00 C ATOM 280 C ALA A 17 -5.121 0.935 -6.204 1.00 0.00 C ATOM 281 O ALA A 17 -4.149 0.963 -6.949 1.00 0.00 O ATOM 282 CB ALA A 17 -4.592 0.565 -3.793 1.00 0.00 C ATOM 0 H ALA A 17 -6.773 1.701 -3.629 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.339 2.393 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.620 0.167 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.507 1.051 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.313 -0.250 -3.729 1.00 0.00 H new ATOM 288 N LYS A 18 -6.274 0.367 -6.539 1.00 0.00 N ATOM 289 CA LYS A 18 -6.479 -0.208 -7.860 1.00 0.00 C ATOM 290 C LYS A 18 -6.538 0.895 -8.917 1.00 0.00 C ATOM 291 O LYS A 18 -6.060 0.724 -10.038 1.00 0.00 O ATOM 292 CB LYS A 18 -7.759 -1.046 -7.877 1.00 0.00 C ATOM 293 CG LYS A 18 -7.916 -1.889 -9.129 1.00 0.00 C ATOM 294 CD LYS A 18 -9.045 -2.895 -8.981 1.00 0.00 C ATOM 295 CE LYS A 18 -9.152 -3.784 -10.207 1.00 0.00 C ATOM 296 NZ LYS A 18 -10.165 -4.857 -10.026 1.00 0.00 N ATOM 0 H LYS A 18 -7.078 0.293 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.638 -0.860 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.767 -1.700 -7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.619 -0.383 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.113 -1.241 -9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.983 -2.414 -9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.875 -3.509 -8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.987 -2.369 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.416 -3.178 -11.073 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.181 -4.233 -10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.208 -5.442 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.900 -5.451 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.097 -4.429 -9.852 1.00 0.00 H new ATOM 310 N SER A 19 -7.109 2.036 -8.544 1.00 0.00 N ATOM 311 CA SER A 19 -7.148 3.196 -9.427 1.00 0.00 C ATOM 312 C SER A 19 -5.742 3.773 -9.585 1.00 0.00 C ATOM 313 O SER A 19 -5.329 4.165 -10.677 1.00 0.00 O ATOM 314 CB SER A 19 -8.099 4.257 -8.864 1.00 0.00 C ATOM 315 OG SER A 19 -9.382 3.706 -8.602 1.00 0.00 O ATOM 0 H SER A 19 -7.551 2.182 -7.636 1.00 0.00 H new ATOM 0 HA SER A 19 -7.515 2.887 -10.406 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.683 4.672 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.191 5.080 -9.573 1.00 0.00 H new ATOM 0 HG SER A 19 -9.321 3.076 -7.853 1.00 0.00 H new ATOM 321 N TRP A 20 -5.013 3.804 -8.477 1.00 0.00 N ATOM 322 CA TRP A 20 -3.620 4.228 -8.461 1.00 0.00 C ATOM 323 C TRP A 20 -2.770 3.280 -9.304 1.00 0.00 C ATOM 324 O TRP A 20 -1.899 3.714 -10.054 1.00 0.00 O ATOM 325 CB TRP A 20 -3.119 4.272 -7.011 1.00 0.00 C ATOM 326 CG TRP A 20 -1.633 4.394 -6.868 1.00 0.00 C ATOM 327 CD1 TRP A 20 -0.885 5.534 -6.944 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.715 3.326 -6.609 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.443 5.238 -6.750 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.570 3.888 -6.543 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.861 1.946 -6.429 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.705 3.118 -6.301 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.265 1.184 -6.189 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.533 1.772 -6.128 1.00 0.00 C ATOM 0 H TRP A 20 -5.373 3.535 -7.561 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.537 5.226 -8.892 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.590 5.114 -6.503 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.447 3.367 -6.500 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.279 6.522 -7.129 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.209 5.912 -6.759 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.837 1.485 -6.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.686 3.567 -6.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.165 0.118 -6.046 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.395 1.149 -5.940 1.00 0.00 H new ATOM 345 N PHE A 21 -3.046 1.988 -9.180 1.00 0.00 N ATOM 346 CA PHE A 21 -2.351 0.958 -9.947 1.00 0.00 C ATOM 347 C PHE A 21 -2.554 1.174 -11.447 1.00 0.00 C ATOM 348 O PHE A 21 -1.663 0.912 -12.252 1.00 0.00 O ATOM 349 CB PHE A 21 -2.872 -0.422 -9.529 1.00 0.00 C ATOM 350 CG PHE A 21 -2.147 -1.581 -10.150 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.909 -1.979 -9.671 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.709 -2.280 -11.209 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.245 -3.051 -10.237 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.051 -3.354 -11.776 1.00 0.00 C ATOM 355 CZ PHE A 21 -0.817 -3.740 -11.290 1.00 0.00 C ATOM 0 H PHE A 21 -3.757 1.623 -8.546 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.282 1.018 -9.741 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.804 -0.508 -8.444 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.928 -0.490 -9.789 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.458 -1.446 -8.847 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.672 -1.981 -11.594 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.720 -3.350 -9.857 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.501 -3.891 -12.598 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.300 -4.579 -11.732 1.00 0.00 H new ATOM 365 N ALA A 22 -3.731 1.672 -11.808 1.00 0.00 N ATOM 366 CA ALA A 22 -4.056 1.948 -13.203 1.00 0.00 C ATOM 367 C ALA A 22 -3.558 3.328 -13.627 1.00 0.00 C ATOM 368 O ALA A 22 -3.792 3.765 -14.754 1.00 0.00 O ATOM 369 CB ALA A 22 -5.557 1.838 -13.421 1.00 0.00 C ATOM 0 H ALA A 22 -4.479 1.894 -11.151 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.550 1.206 -13.821 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.789 2.046 -14.466 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.888 0.831 -13.169 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.071 2.559 -12.785 1.00 0.00 H new ATOM 375 N THR A 23 -2.879 4.015 -12.721 1.00 0.00 N ATOM 376 CA THR A 23 -2.306 5.321 -13.017 1.00 0.00 C ATOM 377 C THR A 23 -0.777 5.237 -13.005 1.00 0.00 C ATOM 378 O THR A 23 -0.098 5.744 -13.900 1.00 0.00 O ATOM 379 CB THR A 23 -2.771 6.378 -11.992 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.204 6.365 -11.879 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.307 7.772 -12.396 1.00 0.00 C ATOM 0 H THR A 23 -2.710 3.688 -11.770 1.00 0.00 H new ATOM 0 HA THR A 23 -2.650 5.623 -14.006 1.00 0.00 H new ATOM 0 HB THR A 23 -2.328 6.127 -11.028 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.483 5.594 -11.342 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.648 8.497 -11.657 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.218 7.792 -12.449 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.722 8.025 -13.371 1.00 0.00 H new ATOM 389 N LYS A 24 -0.255 4.573 -11.984 1.00 0.00 N ATOM 390 CA LYS A 24 1.177 4.386 -11.817 1.00 0.00 C ATOM 391 C LYS A 24 1.681 3.292 -12.754 1.00 0.00 C ATOM 392 O LYS A 24 1.436 2.114 -12.528 1.00 0.00 O ATOM 393 CB LYS A 24 1.477 4.010 -10.360 1.00 0.00 C ATOM 394 CG LYS A 24 2.948 3.761 -10.055 1.00 0.00 C ATOM 395 CD LYS A 24 3.766 5.043 -10.092 1.00 0.00 C ATOM 396 CE LYS A 24 5.202 4.787 -9.662 1.00 0.00 C ATOM 397 NZ LYS A 24 6.009 6.033 -9.640 1.00 0.00 N ATOM 0 H LYS A 24 -0.816 4.148 -11.246 1.00 0.00 H new ATOM 0 HA LYS A 24 1.689 5.316 -12.063 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.116 4.808 -9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.911 3.113 -10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.041 3.301 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.353 3.053 -10.778 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.753 5.458 -11.100 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.313 5.786 -9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.208 4.334 -8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.661 4.070 -10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.971 5.818 -9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.054 6.434 -10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.568 6.721 -8.997 1.00 0.00 H new ATOM 411 N THR A 25 2.360 3.691 -13.815 1.00 0.00 N ATOM 412 CA THR A 25 2.942 2.740 -14.749 1.00 0.00 C ATOM 413 C THR A 25 4.444 2.971 -14.872 1.00 0.00 C ATOM 414 O THR A 25 5.073 2.585 -15.858 1.00 0.00 O ATOM 415 CB THR A 25 2.280 2.854 -16.135 1.00 0.00 C ATOM 416 OG1 THR A 25 2.138 4.236 -16.495 1.00 0.00 O ATOM 417 CG2 THR A 25 0.917 2.175 -16.144 1.00 0.00 C ATOM 0 H THR A 25 2.523 4.669 -14.053 1.00 0.00 H new ATOM 0 HA THR A 25 2.765 1.736 -14.363 1.00 0.00 H new ATOM 0 HB THR A 25 2.918 2.353 -16.863 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.718 4.303 -17.378 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.470 2.269 -17.134 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.035 1.120 -15.898 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.269 2.649 -15.407 1.00 0.00 H new ATOM 425 N THR A 26 5.010 3.602 -13.849 1.00 0.00 N ATOM 426 CA THR A 26 6.425 3.943 -13.836 1.00 0.00 C ATOM 427 C THR A 26 7.283 2.726 -13.493 1.00 0.00 C ATOM 428 O THR A 26 8.500 2.731 -13.689 1.00 0.00 O ATOM 429 CB THR A 26 6.695 5.060 -12.815 1.00 0.00 C ATOM 430 OG1 THR A 26 5.557 5.931 -12.747 1.00 0.00 O ATOM 431 CG2 THR A 26 7.930 5.864 -13.197 1.00 0.00 C ATOM 0 H THR A 26 4.504 3.889 -13.011 1.00 0.00 H new ATOM 0 HA THR A 26 6.692 4.288 -14.835 1.00 0.00 H new ATOM 0 HB THR A 26 6.872 4.602 -11.842 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.860 6.860 -12.673 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.097 6.647 -12.458 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.797 5.205 -13.230 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.781 6.317 -14.177 1.00 0.00 H new ATOM 439 N TRP A 27 6.641 1.693 -12.970 1.00 0.00 N ATOM 440 CA TRP A 27 7.328 0.451 -12.653 1.00 0.00 C ATOM 441 C TRP A 27 7.171 -0.538 -13.793 1.00 0.00 C ATOM 442 O TRP A 27 6.371 -0.325 -14.703 1.00 0.00 O ATOM 443 CB TRP A 27 6.776 -0.173 -11.373 1.00 0.00 C ATOM 444 CG TRP A 27 7.068 0.604 -10.127 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.213 1.281 -9.830 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.206 0.754 -8.992 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.113 1.850 -8.583 1.00 0.00 N ATOM 448 CE2 TRP A 27 6.891 1.540 -8.050 1.00 0.00 C ATOM 449 CE3 TRP A 27 4.918 0.305 -8.684 1.00 0.00 C ATOM 450 CZ2 TRP A 27 6.336 1.880 -6.820 1.00 0.00 C ATOM 451 CZ3 TRP A 27 4.370 0.644 -7.464 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.077 1.426 -6.547 1.00 0.00 C ATOM 0 H TRP A 27 5.644 1.690 -12.756 1.00 0.00 H new ATOM 0 HA TRP A 27 8.383 0.683 -12.505 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.696 -0.282 -11.473 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.189 -1.176 -11.266 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.073 1.359 -10.479 1.00 0.00 H new ATOM 0 HE1 TRP A 27 8.833 2.412 -8.128 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.362 -0.296 -9.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.881 2.481 -6.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.378 0.299 -7.214 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.618 1.677 -5.602 1.00 0.00 H new ATOM 463 N SER A 28 7.931 -1.617 -13.740 1.00 0.00 N ATOM 464 CA SER A 28 7.783 -2.687 -14.704 1.00 0.00 C ATOM 465 C SER A 28 6.555 -3.523 -14.354 1.00 0.00 C ATOM 466 O SER A 28 6.173 -3.618 -13.184 1.00 0.00 O ATOM 467 CB SER A 28 9.042 -3.550 -14.741 1.00 0.00 C ATOM 468 OG SER A 28 9.383 -4.024 -13.451 1.00 0.00 O ATOM 0 H SER A 28 8.656 -1.773 -13.039 1.00 0.00 H new ATOM 0 HA SER A 28 7.644 -2.261 -15.697 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.886 -4.395 -15.411 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.870 -2.970 -15.148 1.00 0.00 H new ATOM 0 HG SER A 28 10.192 -4.574 -13.508 1.00 0.00 H new ATOM 474 N GLU A 29 5.947 -4.124 -15.364 1.00 0.00 N ATOM 475 CA GLU A 29 4.695 -4.848 -15.187 1.00 0.00 C ATOM 476 C GLU A 29 4.853 -6.022 -14.225 1.00 0.00 C ATOM 477 O GLU A 29 3.981 -6.268 -13.391 1.00 0.00 O ATOM 478 CB GLU A 29 4.180 -5.329 -16.540 1.00 0.00 C ATOM 479 CG GLU A 29 3.913 -4.189 -17.507 1.00 0.00 C ATOM 480 CD GLU A 29 3.519 -4.673 -18.882 1.00 0.00 C ATOM 481 OE1 GLU A 29 4.420 -4.877 -19.725 1.00 0.00 O ATOM 482 OE2 GLU A 29 2.311 -4.853 -19.129 1.00 0.00 O ATOM 0 H GLU A 29 6.301 -4.125 -16.321 1.00 0.00 H new ATOM 0 HA GLU A 29 3.968 -4.165 -14.748 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.909 -6.009 -16.980 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.262 -5.897 -16.393 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.120 -3.557 -17.107 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.806 -3.568 -17.586 1.00 0.00 H new ATOM 489 N ASP A 30 5.967 -6.734 -14.331 1.00 0.00 N ATOM 490 CA ASP A 30 6.230 -7.873 -13.455 1.00 0.00 C ATOM 491 C ASP A 30 6.423 -7.416 -12.016 1.00 0.00 C ATOM 492 O ASP A 30 5.969 -8.076 -11.079 1.00 0.00 O ATOM 493 CB ASP A 30 7.457 -8.653 -13.927 1.00 0.00 C ATOM 494 CG ASP A 30 7.192 -9.430 -15.197 1.00 0.00 C ATOM 495 OD1 ASP A 30 6.647 -10.552 -15.108 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.520 -8.922 -16.289 1.00 0.00 O ATOM 0 H ASP A 30 6.703 -6.546 -15.012 1.00 0.00 H new ATOM 0 HA ASP A 30 5.363 -8.532 -13.498 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.282 -7.961 -14.093 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.771 -9.341 -13.142 1.00 0.00 H new ATOM 501 N TYR A 31 7.083 -6.278 -11.845 1.00 0.00 N ATOM 502 CA TYR A 31 7.271 -5.701 -10.523 1.00 0.00 C ATOM 503 C TYR A 31 5.918 -5.312 -9.941 1.00 0.00 C ATOM 504 O TYR A 31 5.591 -5.667 -8.808 1.00 0.00 O ATOM 505 CB TYR A 31 8.196 -4.480 -10.598 1.00 0.00 C ATOM 506 CG TYR A 31 8.517 -3.855 -9.254 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.559 -4.341 -8.473 1.00 0.00 C ATOM 508 CD2 TYR A 31 7.783 -2.780 -8.773 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.857 -3.773 -7.248 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.076 -2.205 -7.551 1.00 0.00 C ATOM 511 CZ TYR A 31 9.112 -2.705 -6.791 1.00 0.00 C ATOM 512 OH TYR A 31 9.407 -2.131 -5.573 1.00 0.00 O ATOM 0 H TYR A 31 7.496 -5.738 -12.605 1.00 0.00 H new ATOM 0 HA TYR A 31 7.739 -6.440 -9.873 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.128 -4.774 -11.080 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.732 -3.726 -11.234 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.145 -5.175 -8.829 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.969 -2.386 -9.364 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.669 -4.163 -6.652 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.496 -1.367 -7.193 1.00 0.00 H new ATOM 0 HH TYR A 31 8.962 -1.260 -5.505 1.00 0.00 H new ATOM 522 N GLN A 32 5.118 -4.617 -10.741 1.00 0.00 N ATOM 523 CA GLN A 32 3.792 -4.185 -10.317 1.00 0.00 C ATOM 524 C GLN A 32 2.889 -5.372 -10.011 1.00 0.00 C ATOM 525 O GLN A 32 2.049 -5.299 -9.117 1.00 0.00 O ATOM 526 CB GLN A 32 3.145 -3.304 -11.381 1.00 0.00 C ATOM 527 CG GLN A 32 3.849 -1.977 -11.562 1.00 0.00 C ATOM 528 CD GLN A 32 3.017 -0.978 -12.331 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.101 -0.882 -13.553 1.00 0.00 O ATOM 530 NE2 GLN A 32 2.189 -0.238 -11.614 1.00 0.00 N ATOM 0 H GLN A 32 5.366 -4.340 -11.691 1.00 0.00 H new ATOM 0 HA GLN A 32 3.917 -3.606 -9.402 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.139 -3.838 -12.331 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.105 -3.123 -11.111 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.094 -1.564 -10.584 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.792 -2.138 -12.085 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.152 -0.351 -10.601 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.588 0.446 -12.074 1.00 0.00 H new ATOM 539 N ARG A 33 3.072 -6.462 -10.744 1.00 0.00 N ATOM 540 CA ARG A 33 2.288 -7.669 -10.523 1.00 0.00 C ATOM 541 C ARG A 33 2.537 -8.210 -9.118 1.00 0.00 C ATOM 542 O ARG A 33 1.598 -8.563 -8.402 1.00 0.00 O ATOM 543 CB ARG A 33 2.631 -8.728 -11.572 1.00 0.00 C ATOM 544 CG ARG A 33 1.710 -9.936 -11.542 1.00 0.00 C ATOM 545 CD ARG A 33 2.052 -10.916 -12.647 1.00 0.00 C ATOM 546 NE ARG A 33 1.102 -12.026 -12.710 1.00 0.00 N ATOM 547 CZ ARG A 33 0.689 -12.575 -13.849 1.00 0.00 C ATOM 548 NH1 ARG A 33 1.179 -12.151 -15.005 1.00 0.00 N ATOM 549 NH2 ARG A 33 -0.198 -13.561 -13.841 1.00 0.00 N ATOM 0 H ARG A 33 3.757 -6.535 -11.497 1.00 0.00 H new ATOM 0 HA ARG A 33 1.231 -7.420 -10.618 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.588 -8.274 -12.562 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.658 -9.061 -11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.789 -10.433 -10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.675 -9.610 -11.649 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.063 -10.394 -13.604 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.056 -11.307 -12.486 1.00 0.00 H new ATOM 0 HE ARG A 33 0.737 -12.399 -11.834 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.873 -11.404 -15.021 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.862 -12.572 -15.878 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.570 -13.905 -12.956 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.508 -13.975 -14.720 1.00 0.00 H new ATOM 563 N SER A 34 3.802 -8.261 -8.719 1.00 0.00 N ATOM 564 CA SER A 34 4.150 -8.697 -7.377 1.00 0.00 C ATOM 565 C SER A 34 3.728 -7.658 -6.336 1.00 0.00 C ATOM 566 O SER A 34 3.327 -8.013 -5.229 1.00 0.00 O ATOM 567 CB SER A 34 5.648 -8.997 -7.284 1.00 0.00 C ATOM 568 OG SER A 34 6.413 -8.055 -8.022 1.00 0.00 O ATOM 0 H SER A 34 4.598 -8.007 -9.304 1.00 0.00 H new ATOM 0 HA SER A 34 3.606 -9.617 -7.163 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.959 -8.982 -6.239 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.843 -10.001 -7.660 1.00 0.00 H new ATOM 0 HG SER A 34 5.939 -7.197 -8.048 1.00 0.00 H new ATOM 574 N VAL A 35 3.797 -6.377 -6.702 1.00 0.00 N ATOM 575 CA VAL A 35 3.331 -5.303 -5.827 1.00 0.00 C ATOM 576 C VAL A 35 1.852 -5.485 -5.515 1.00 0.00 C ATOM 577 O VAL A 35 1.461 -5.606 -4.353 1.00 0.00 O ATOM 578 CB VAL A 35 3.540 -3.904 -6.462 1.00 0.00 C ATOM 579 CG1 VAL A 35 2.888 -2.816 -5.622 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.018 -3.608 -6.640 1.00 0.00 C ATOM 0 H VAL A 35 4.170 -6.060 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 35 3.921 -5.358 -4.912 1.00 0.00 H new ATOM 0 HB VAL A 35 3.064 -3.913 -7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.051 -1.846 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.818 -3.007 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.327 -2.814 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.140 -2.621 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.513 -3.630 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.464 -4.359 -7.292 1.00 0.00 H new ATOM 590 N TRP A 36 1.050 -5.528 -6.571 1.00 0.00 N ATOM 591 CA TRP A 36 -0.395 -5.668 -6.461 1.00 0.00 C ATOM 592 C TRP A 36 -0.767 -6.907 -5.651 1.00 0.00 C ATOM 593 O TRP A 36 -1.630 -6.851 -4.776 1.00 0.00 O ATOM 594 CB TRP A 36 -1.002 -5.733 -7.865 1.00 0.00 C ATOM 595 CG TRP A 36 -2.487 -5.902 -7.881 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.180 -6.975 -8.354 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.462 -4.970 -7.402 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.528 -6.770 -8.200 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.726 -5.547 -7.616 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.388 -3.704 -6.813 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.908 -4.903 -7.260 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.561 -3.067 -6.460 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.805 -3.667 -6.684 1.00 0.00 C ATOM 0 H TRP A 36 1.386 -5.466 -7.532 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.797 -4.803 -5.934 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.745 -4.820 -8.403 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.547 -6.561 -8.408 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.734 -7.858 -8.787 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.263 -7.422 -8.475 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.432 -3.234 -6.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.870 -5.362 -7.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.518 -2.089 -6.003 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.704 -3.142 -6.396 1.00 0.00 H new ATOM 614 N THR A 37 -0.092 -8.013 -5.932 1.00 0.00 N ATOM 615 CA THR A 37 -0.340 -9.258 -5.225 1.00 0.00 C ATOM 616 C THR A 37 -0.031 -9.119 -3.733 1.00 0.00 C ATOM 617 O THR A 37 -0.857 -9.468 -2.889 1.00 0.00 O ATOM 618 CB THR A 37 0.491 -10.406 -5.831 1.00 0.00 C ATOM 619 OG1 THR A 37 0.178 -10.537 -7.225 1.00 0.00 O ATOM 620 CG2 THR A 37 0.213 -11.723 -5.123 1.00 0.00 C ATOM 0 H THR A 37 0.633 -8.072 -6.647 1.00 0.00 H new ATOM 0 HA THR A 37 -1.398 -9.493 -5.336 1.00 0.00 H new ATOM 0 HB THR A 37 1.547 -10.167 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.578 -9.793 -7.721 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.814 -12.512 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.469 -11.630 -4.068 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.844 -11.972 -5.219 1.00 0.00 H new ATOM 628 N ARG A 38 1.143 -8.580 -3.409 1.00 0.00 N ATOM 629 CA ARG A 38 1.547 -8.424 -2.016 1.00 0.00 C ATOM 630 C ARG A 38 0.617 -7.467 -1.280 1.00 0.00 C ATOM 631 O ARG A 38 0.357 -7.637 -0.086 1.00 0.00 O ATOM 632 CB ARG A 38 2.999 -7.949 -1.911 1.00 0.00 C ATOM 633 CG ARG A 38 4.002 -8.994 -2.373 1.00 0.00 C ATOM 634 CD ARG A 38 5.432 -8.615 -2.015 1.00 0.00 C ATOM 635 NE ARG A 38 5.927 -7.455 -2.762 1.00 0.00 N ATOM 636 CZ ARG A 38 7.095 -7.447 -3.412 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.794 -8.568 -3.535 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.559 -6.334 -3.969 1.00 0.00 N ATOM 0 H ARG A 38 1.826 -8.246 -4.089 1.00 0.00 H new ATOM 0 HA ARG A 38 1.475 -9.402 -1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.124 -7.045 -2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.213 -7.680 -0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.758 -9.955 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.921 -9.121 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.488 -8.402 -0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.085 -9.467 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 38 5.352 -6.613 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.440 -9.436 -3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.685 -8.561 -4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.022 -5.469 -3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.452 -6.344 -4.462 1.00 0.00 H new ATOM 652 N LEU A 39 0.106 -6.473 -1.995 1.00 0.00 N ATOM 653 CA LEU A 39 -0.860 -5.544 -1.426 1.00 0.00 C ATOM 654 C LEU A 39 -2.119 -6.285 -0.992 1.00 0.00 C ATOM 655 O LEU A 39 -2.562 -6.150 0.150 1.00 0.00 O ATOM 656 CB LEU A 39 -1.222 -4.450 -2.434 1.00 0.00 C ATOM 657 CG LEU A 39 -0.083 -3.504 -2.820 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.567 -2.473 -3.828 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.486 -2.821 -1.586 1.00 0.00 C ATOM 0 H LEU A 39 0.345 -6.290 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.404 -5.076 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.598 -4.926 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.039 -3.857 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 39 0.711 -4.091 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.255 -1.808 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.925 -2.980 -4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.379 -1.891 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.295 -2.152 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.299 -2.247 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.870 -3.574 -0.898 1.00 0.00 H new ATOM 671 N GLU A 40 -2.674 -7.088 -1.899 1.00 0.00 N ATOM 672 CA GLU A 40 -3.907 -7.828 -1.628 1.00 0.00 C ATOM 673 C GLU A 40 -3.723 -8.823 -0.486 1.00 0.00 C ATOM 674 O GLU A 40 -4.639 -9.053 0.307 1.00 0.00 O ATOM 675 CB GLU A 40 -4.380 -8.583 -2.875 1.00 0.00 C ATOM 676 CG GLU A 40 -4.644 -7.696 -4.079 1.00 0.00 C ATOM 677 CD GLU A 40 -5.189 -8.476 -5.259 1.00 0.00 C ATOM 678 OE1 GLU A 40 -4.455 -9.318 -5.815 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.360 -8.255 -5.639 1.00 0.00 O ATOM 0 H GLU A 40 -2.288 -7.243 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.659 -7.094 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.628 -9.325 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.293 -9.127 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.353 -6.915 -3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.719 -7.199 -4.371 1.00 0.00 H new ATOM 686 N THR A 41 -2.536 -9.409 -0.406 1.00 0.00 N ATOM 687 CA THR A 41 -2.257 -10.445 0.578 1.00 0.00 C ATOM 688 C THR A 41 -2.116 -9.881 1.993 1.00 0.00 C ATOM 689 O THR A 41 -2.750 -10.371 2.929 1.00 0.00 O ATOM 690 CB THR A 41 -0.969 -11.209 0.214 1.00 0.00 C ATOM 691 OG1 THR A 41 -1.036 -11.662 -1.142 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.765 -12.404 1.132 1.00 0.00 C ATOM 0 H THR A 41 -1.748 -9.183 -1.013 1.00 0.00 H new ATOM 0 HA THR A 41 -3.111 -11.123 0.563 1.00 0.00 H new ATOM 0 HB THR A 41 -0.127 -10.527 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.959 -10.895 -1.747 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.151 -12.925 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.687 -12.061 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.612 -13.084 1.038 1.00 0.00 H new ATOM 700 N TYR A 42 -1.299 -8.849 2.153 1.00 0.00 N ATOM 701 CA TYR A 42 -0.921 -8.399 3.488 1.00 0.00 C ATOM 702 C TYR A 42 -1.607 -7.098 3.891 1.00 0.00 C ATOM 703 O TYR A 42 -2.151 -6.996 4.988 1.00 0.00 O ATOM 704 CB TYR A 42 0.597 -8.228 3.573 1.00 0.00 C ATOM 705 CG TYR A 42 1.358 -9.462 3.153 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.432 -10.572 3.983 1.00 0.00 C ATOM 707 CD2 TYR A 42 1.989 -9.523 1.918 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.114 -11.708 3.594 1.00 0.00 C ATOM 709 CE2 TYR A 42 2.671 -10.655 1.520 1.00 0.00 C ATOM 710 CZ TYR A 42 2.732 -11.745 2.361 1.00 0.00 C ATOM 711 OH TYR A 42 3.406 -12.877 1.965 1.00 0.00 O ATOM 0 H TYR A 42 -0.889 -8.313 1.388 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.253 -9.168 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.898 -7.391 2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.871 -7.971 4.596 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.949 -10.547 4.948 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.945 -8.670 1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.163 -12.563 4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.154 -10.686 0.555 1.00 0.00 H new ATOM 0 HH TYR A 42 3.782 -12.738 1.071 1.00 0.00 H new ATOM 721 N LEU A 43 -1.598 -6.119 3.001 1.00 0.00 N ATOM 722 CA LEU A 43 -2.013 -4.766 3.352 1.00 0.00 C ATOM 723 C LEU A 43 -3.528 -4.581 3.228 1.00 0.00 C ATOM 724 O LEU A 43 -4.176 -4.056 4.134 1.00 0.00 O ATOM 725 CB LEU A 43 -1.284 -3.766 2.448 1.00 0.00 C ATOM 726 CG LEU A 43 -1.351 -2.305 2.891 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.585 -2.101 4.189 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.813 -1.392 1.799 1.00 0.00 C ATOM 0 H LEU A 43 -1.308 -6.234 2.030 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.751 -4.589 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.236 -4.059 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.700 -3.842 1.443 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.395 -2.048 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.645 -1.054 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.019 -2.726 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.459 -2.377 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.868 -0.355 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.225 -1.650 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.409 -1.515 0.895 1.00 0.00 H new ATOM 740 N PHE A 44 -4.083 -5.035 2.110 1.00 0.00 N ATOM 741 CA PHE A 44 -5.499 -4.822 1.791 1.00 0.00 C ATOM 742 C PHE A 44 -6.490 -5.434 2.799 1.00 0.00 C ATOM 743 O PHE A 44 -7.507 -4.812 3.063 1.00 0.00 O ATOM 744 CB PHE A 44 -5.821 -5.336 0.386 1.00 0.00 C ATOM 745 CG PHE A 44 -5.349 -4.432 -0.721 1.00 0.00 C ATOM 746 CD1 PHE A 44 -4.677 -3.251 -0.442 1.00 0.00 C ATOM 747 CD2 PHE A 44 -5.585 -4.766 -2.044 1.00 0.00 C ATOM 748 CE1 PHE A 44 -4.249 -2.424 -1.461 1.00 0.00 C ATOM 749 CE2 PHE A 44 -5.161 -3.943 -3.067 1.00 0.00 C ATOM 750 CZ PHE A 44 -4.492 -2.771 -2.775 1.00 0.00 C ATOM 0 H PHE A 44 -3.572 -5.559 1.400 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.636 -3.742 1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.367 -6.318 0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.899 -5.469 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.486 -2.975 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.107 -5.682 -2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.725 -1.508 -1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.352 -4.215 -4.095 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.159 -2.126 -3.574 1.00 0.00 H new ATOM 760 N PRO A 45 -6.252 -6.647 3.359 1.00 0.00 N ATOM 761 CA PRO A 45 -7.200 -7.285 4.294 1.00 0.00 C ATOM 762 C PRO A 45 -7.797 -6.330 5.335 1.00 0.00 C ATOM 763 O PRO A 45 -9.007 -6.335 5.570 1.00 0.00 O ATOM 764 CB PRO A 45 -6.340 -8.343 4.976 1.00 0.00 C ATOM 765 CG PRO A 45 -5.374 -8.753 3.925 1.00 0.00 C ATOM 766 CD PRO A 45 -5.078 -7.513 3.123 1.00 0.00 C ATOM 0 HA PRO A 45 -8.073 -7.671 3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.830 -7.940 5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.940 -9.186 5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.464 -9.157 4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.795 -9.535 3.293 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.156 -7.034 3.453 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.957 -7.742 2.064 1.00 0.00 H new ATOM 774 N ASP A 46 -6.955 -5.503 5.937 1.00 0.00 N ATOM 775 CA ASP A 46 -7.399 -4.606 7.001 1.00 0.00 C ATOM 776 C ASP A 46 -8.054 -3.341 6.452 1.00 0.00 C ATOM 777 O ASP A 46 -9.081 -2.894 6.962 1.00 0.00 O ATOM 778 CB ASP A 46 -6.222 -4.222 7.903 1.00 0.00 C ATOM 779 CG ASP A 46 -5.719 -5.386 8.733 1.00 0.00 C ATOM 780 OD1 ASP A 46 -4.943 -6.210 8.206 1.00 0.00 O ATOM 781 OD2 ASP A 46 -6.102 -5.487 9.918 1.00 0.00 O ATOM 0 H ASP A 46 -5.963 -5.432 5.710 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.147 -5.147 7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.407 -3.840 7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.527 -3.412 8.566 1.00 0.00 H new ATOM 786 N ILE A 47 -7.468 -2.777 5.407 1.00 0.00 N ATOM 787 CA ILE A 47 -7.881 -1.463 4.911 1.00 0.00 C ATOM 788 C ILE A 47 -8.736 -1.550 3.645 1.00 0.00 C ATOM 789 O ILE A 47 -9.076 -0.531 3.042 1.00 0.00 O ATOM 790 CB ILE A 47 -6.647 -0.591 4.619 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.734 -1.307 3.617 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.898 -0.271 5.906 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.399 -0.632 3.414 1.00 0.00 C ATOM 0 H ILE A 47 -6.705 -3.205 4.883 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.489 -1.014 5.696 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.974 0.353 4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.565 -2.328 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.246 -1.373 2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.029 0.346 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.557 0.268 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.571 -1.198 6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.811 -1.198 2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.556 0.380 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.865 -0.590 4.363 1.00 0.00 H new ATOM 805 N GLY A 48 -9.084 -2.760 3.248 1.00 0.00 N ATOM 806 CA GLY A 48 -9.807 -2.958 2.007 1.00 0.00 C ATOM 807 C GLY A 48 -11.280 -2.630 2.117 1.00 0.00 C ATOM 808 O GLY A 48 -11.813 -1.859 1.316 1.00 0.00 O ATOM 0 H GLY A 48 -8.879 -3.616 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.360 -2.337 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.695 -3.995 1.690 1.00 0.00 H new ATOM 812 N ASN A 49 -11.944 -3.227 3.095 1.00 0.00 N ATOM 813 CA ASN A 49 -13.371 -3.007 3.295 1.00 0.00 C ATOM 814 C ASN A 49 -13.604 -1.907 4.318 1.00 0.00 C ATOM 815 O ASN A 49 -14.731 -1.667 4.748 1.00 0.00 O ATOM 816 CB ASN A 49 -14.068 -4.305 3.733 1.00 0.00 C ATOM 817 CG ASN A 49 -13.653 -4.786 5.114 1.00 0.00 C ATOM 818 OD1 ASN A 49 -12.536 -4.534 5.577 1.00 0.00 O ATOM 819 ND2 ASN A 49 -14.545 -5.509 5.774 1.00 0.00 N ATOM 0 H ASN A 49 -11.518 -3.869 3.764 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.802 -2.692 2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.147 -4.149 3.721 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.851 -5.087 3.005 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.319 -5.879 6.698 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.458 -5.696 5.359 1.00 0.00 H new ATOM 826 N LYS A 50 -12.530 -1.231 4.692 1.00 0.00 N ATOM 827 CA LYS A 50 -12.607 -0.136 5.641 1.00 0.00 C ATOM 828 C LYS A 50 -12.527 1.202 4.910 1.00 0.00 C ATOM 829 O LYS A 50 -11.761 1.354 3.957 1.00 0.00 O ATOM 830 CB LYS A 50 -11.478 -0.243 6.675 1.00 0.00 C ATOM 831 CG LYS A 50 -11.440 0.917 7.660 1.00 0.00 C ATOM 832 CD LYS A 50 -12.697 0.973 8.511 1.00 0.00 C ATOM 833 CE LYS A 50 -12.614 0.037 9.706 1.00 0.00 C ATOM 834 NZ LYS A 50 -11.674 0.547 10.740 1.00 0.00 N ATOM 0 H LYS A 50 -11.589 -1.424 4.349 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.562 -0.195 6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.591 -1.175 7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.523 -0.297 6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.568 0.818 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.328 1.854 7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.854 1.994 8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.561 0.708 7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.605 -0.084 10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.290 -0.949 9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.769 -0.021 11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.698 0.479 10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.897 1.540 10.952 1.00 0.00 H new ATOM 848 N ASP A 51 -13.341 2.156 5.348 1.00 0.00 N ATOM 849 CA ASP A 51 -13.299 3.512 4.814 1.00 0.00 C ATOM 850 C ASP A 51 -11.950 4.153 5.124 1.00 0.00 C ATOM 851 O ASP A 51 -11.546 4.234 6.286 1.00 0.00 O ATOM 852 CB ASP A 51 -14.438 4.343 5.412 1.00 0.00 C ATOM 853 CG ASP A 51 -14.404 5.794 4.976 1.00 0.00 C ATOM 854 OD1 ASP A 51 -14.807 6.086 3.830 1.00 0.00 O ATOM 855 OD2 ASP A 51 -13.990 6.649 5.784 1.00 0.00 O ATOM 0 H ASP A 51 -14.042 2.014 6.076 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.425 3.475 3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.392 3.904 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.383 4.295 6.500 1.00 0.00 H new ATOM 860 N ILE A 52 -11.256 4.603 4.085 1.00 0.00 N ATOM 861 CA ILE A 52 -9.895 5.109 4.238 1.00 0.00 C ATOM 862 C ILE A 52 -9.862 6.412 5.041 1.00 0.00 C ATOM 863 O ILE A 52 -8.862 6.727 5.686 1.00 0.00 O ATOM 864 CB ILE A 52 -9.201 5.303 2.867 1.00 0.00 C ATOM 865 CG1 ILE A 52 -7.786 5.858 3.055 1.00 0.00 C ATOM 866 CG2 ILE A 52 -10.018 6.230 1.982 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.901 5.732 1.839 1.00 0.00 C ATOM 0 H ILE A 52 -11.611 4.628 3.129 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.341 4.354 4.796 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.130 4.331 2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.855 6.910 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.313 5.339 3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.515 6.354 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.007 5.801 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -10.119 7.201 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.918 6.149 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.797 4.680 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.347 6.275 1.006 1.00 0.00 H new ATOM 879 N ALA A 53 -10.966 7.143 5.040 1.00 0.00 N ATOM 880 CA ALA A 53 -11.041 8.399 5.777 1.00 0.00 C ATOM 881 C ALA A 53 -11.099 8.145 7.281 1.00 0.00 C ATOM 882 O ALA A 53 -10.938 9.066 8.085 1.00 0.00 O ATOM 883 CB ALA A 53 -12.247 9.211 5.327 1.00 0.00 C ATOM 0 H ALA A 53 -11.819 6.892 4.541 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.138 8.972 5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.287 10.145 5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.161 9.430 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.158 8.640 5.508 1.00 0.00 H new ATOM 889 N GLU A 54 -11.327 6.890 7.655 1.00 0.00 N ATOM 890 CA GLU A 54 -11.369 6.500 9.058 1.00 0.00 C ATOM 891 C GLU A 54 -10.020 5.925 9.494 1.00 0.00 C ATOM 892 O GLU A 54 -9.752 5.763 10.686 1.00 0.00 O ATOM 893 CB GLU A 54 -12.472 5.459 9.288 1.00 0.00 C ATOM 894 CG GLU A 54 -12.706 5.129 10.755 1.00 0.00 C ATOM 895 CD GLU A 54 -13.588 3.913 10.949 1.00 0.00 C ATOM 896 OE1 GLU A 54 -14.825 4.069 11.016 1.00 0.00 O ATOM 897 OE2 GLU A 54 -13.049 2.795 11.052 1.00 0.00 O ATOM 0 H GLU A 54 -11.486 6.123 7.002 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.585 7.387 9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.402 5.827 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.212 4.544 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.746 4.957 11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.164 5.987 11.247 1.00 0.00 H new ATOM 904 N LEU A 55 -9.163 5.632 8.522 1.00 0.00 N ATOM 905 CA LEU A 55 -7.891 4.974 8.797 1.00 0.00 C ATOM 906 C LEU A 55 -6.925 5.896 9.526 1.00 0.00 C ATOM 907 O LEU A 55 -6.893 7.107 9.294 1.00 0.00 O ATOM 908 CB LEU A 55 -7.248 4.473 7.503 1.00 0.00 C ATOM 909 CG LEU A 55 -8.004 3.346 6.801 1.00 0.00 C ATOM 910 CD1 LEU A 55 -7.309 2.962 5.507 1.00 0.00 C ATOM 911 CD2 LEU A 55 -8.126 2.138 7.716 1.00 0.00 C ATOM 0 H LEU A 55 -9.326 5.840 7.537 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.104 4.124 9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.154 5.312 6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.238 4.129 7.726 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.006 3.702 6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.862 2.158 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.270 3.827 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.295 2.625 5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.667 1.344 7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.131 1.783 7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.668 2.419 8.619 1.00 0.00 H new ATOM 923 N ASP A 56 -6.156 5.307 10.426 1.00 0.00 N ATOM 924 CA ASP A 56 -5.116 6.022 11.146 1.00 0.00 C ATOM 925 C ASP A 56 -3.760 5.406 10.830 1.00 0.00 C ATOM 926 O ASP A 56 -3.691 4.311 10.261 1.00 0.00 O ATOM 927 CB ASP A 56 -5.391 5.968 12.655 1.00 0.00 C ATOM 928 CG ASP A 56 -4.347 6.701 13.474 1.00 0.00 C ATOM 929 OD1 ASP A 56 -4.450 7.937 13.601 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.416 6.041 13.978 1.00 0.00 O ATOM 0 H ASP A 56 -6.235 4.322 10.678 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.111 7.066 10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.371 6.400 12.856 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.430 4.927 12.975 1.00 0.00 H new ATOM 935 N THR A 57 -2.692 6.108 11.184 1.00 0.00 N ATOM 936 CA THR A 57 -1.341 5.598 11.013 1.00 0.00 C ATOM 937 C THR A 57 -1.205 4.219 11.664 1.00 0.00 C ATOM 938 O THR A 57 -0.572 3.321 11.110 1.00 0.00 O ATOM 939 CB THR A 57 -0.311 6.561 11.633 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.619 7.910 11.253 1.00 0.00 O ATOM 941 CG2 THR A 57 1.099 6.220 11.174 1.00 0.00 C ATOM 0 H THR A 57 -2.738 7.040 11.595 1.00 0.00 H new ATOM 0 HA THR A 57 -1.147 5.513 9.944 1.00 0.00 H new ATOM 0 HB THR A 57 -0.360 6.459 12.717 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.037 8.520 11.651 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.807 6.915 11.626 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.345 5.203 11.478 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.157 6.298 10.088 1.00 0.00 H new ATOM 949 N GLY A 58 -1.836 4.054 12.826 1.00 0.00 N ATOM 950 CA GLY A 58 -1.801 2.783 13.527 1.00 0.00 C ATOM 951 C GLY A 58 -2.471 1.671 12.743 1.00 0.00 C ATOM 952 O GLY A 58 -1.977 0.547 12.706 1.00 0.00 O ATOM 0 H GLY A 58 -2.373 4.783 13.295 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.765 2.510 13.726 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.294 2.890 14.493 1.00 0.00 H new ATOM 956 N ASP A 59 -3.590 1.996 12.097 1.00 0.00 N ATOM 957 CA ASP A 59 -4.336 1.024 11.293 1.00 0.00 C ATOM 958 C ASP A 59 -3.490 0.513 10.139 1.00 0.00 C ATOM 959 O ASP A 59 -3.631 -0.628 9.710 1.00 0.00 O ATOM 960 CB ASP A 59 -5.626 1.641 10.736 1.00 0.00 C ATOM 961 CG ASP A 59 -6.697 1.829 11.788 1.00 0.00 C ATOM 962 OD1 ASP A 59 -7.345 0.833 12.165 1.00 0.00 O ATOM 963 OD2 ASP A 59 -6.909 2.979 12.234 1.00 0.00 O ATOM 0 H ASP A 59 -4.003 2.929 12.114 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.593 0.192 11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.395 2.606 10.285 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.013 1.003 9.942 1.00 0.00 H new ATOM 968 N LEU A 60 -2.617 1.370 9.640 1.00 0.00 N ATOM 969 CA LEU A 60 -1.720 1.013 8.551 1.00 0.00 C ATOM 970 C LEU A 60 -0.516 0.231 9.078 1.00 0.00 C ATOM 971 O LEU A 60 -0.013 -0.700 8.431 1.00 0.00 O ATOM 972 CB LEU A 60 -1.263 2.289 7.847 1.00 0.00 C ATOM 973 CG LEU A 60 -2.391 3.127 7.239 1.00 0.00 C ATOM 974 CD1 LEU A 60 -1.918 4.546 6.974 1.00 0.00 C ATOM 975 CD2 LEU A 60 -2.889 2.487 5.953 1.00 0.00 C ATOM 0 H LEU A 60 -2.509 2.328 9.974 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.247 0.374 7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.716 2.905 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.563 2.020 7.056 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.215 3.166 7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.733 5.127 6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.602 5.005 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.079 4.526 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.691 3.093 5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.069 2.422 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.265 1.486 6.166 1.00 0.00 H new ATOM 987 N LEU A 61 -0.069 0.601 10.269 1.00 0.00 N ATOM 988 CA LEU A 61 1.089 -0.029 10.879 1.00 0.00 C ATOM 989 C LEU A 61 0.818 -1.485 11.231 1.00 0.00 C ATOM 990 O LEU A 61 1.740 -2.281 11.270 1.00 0.00 O ATOM 991 CB LEU A 61 1.531 0.735 12.129 1.00 0.00 C ATOM 992 CG LEU A 61 2.119 2.124 11.875 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.511 2.777 13.190 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.320 2.039 10.938 1.00 0.00 C ATOM 0 H LEU A 61 -0.494 1.337 10.833 1.00 0.00 H new ATOM 0 HA LEU A 61 1.893 -0.001 10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.673 0.838 12.793 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.273 0.136 12.657 1.00 0.00 H new ATOM 0 HG LEU A 61 1.358 2.739 11.395 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.928 3.765 12.995 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.630 2.874 13.825 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.256 2.161 13.694 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.723 3.038 10.771 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.088 1.409 11.387 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.009 1.609 9.986 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.442 -1.838 11.476 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.781 -3.216 11.837 1.00 0.00 C ATOM 1008 C VAL A 62 -0.422 -4.205 10.714 1.00 0.00 C ATOM 1009 O VAL A 62 0.347 -5.136 10.952 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.268 -3.376 12.240 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -2.590 -4.829 12.563 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -2.591 -2.488 13.431 1.00 0.00 C ATOM 0 H VAL A 62 -1.237 -1.200 11.433 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.176 -3.454 12.712 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.884 -3.069 11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.640 -4.915 12.843 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.396 -5.448 11.687 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.965 -5.165 13.390 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.639 -2.611 13.703 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.962 -2.769 14.276 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.404 -1.446 13.170 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.959 -4.039 9.482 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.567 -4.879 8.345 1.00 0.00 C ATOM 1024 C PRO A 63 0.941 -4.842 8.088 1.00 0.00 C ATOM 1025 O PRO A 63 1.554 -5.876 7.806 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.341 -4.299 7.153 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.877 -2.987 7.614 1.00 0.00 C ATOM 1028 CD PRO A 63 -2.005 -3.078 9.106 1.00 0.00 C ATOM 0 HA PRO A 63 -0.798 -5.929 8.527 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.690 -4.173 6.288 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.148 -4.966 6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.208 -2.174 7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.843 -2.780 7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.850 -2.110 9.582 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.995 -3.425 9.404 1.00 0.00 H new ATOM 1036 N ILE A 64 1.545 -3.656 8.198 1.00 0.00 N ATOM 1037 CA ILE A 64 2.998 -3.534 8.045 1.00 0.00 C ATOM 1038 C ILE A 64 3.722 -4.360 9.115 1.00 0.00 C ATOM 1039 O ILE A 64 4.647 -5.120 8.819 1.00 0.00 O ATOM 1040 CB ILE A 64 3.452 -2.059 8.133 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.766 -1.229 7.044 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.968 -1.954 8.012 1.00 0.00 C ATOM 1043 CD1 ILE A 64 3.064 0.253 7.126 1.00 0.00 C ATOM 0 H ILE A 64 1.060 -2.779 8.389 1.00 0.00 H new ATOM 0 HA ILE A 64 3.257 -3.916 7.057 1.00 0.00 H new ATOM 0 HB ILE A 64 3.161 -1.664 9.107 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.078 -1.599 6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.688 -1.378 7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.267 -0.908 8.076 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.437 -2.516 8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.286 -2.364 7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.543 0.774 6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.726 0.639 8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.137 0.414 7.027 1.00 0.00 H new ATOM 1055 N LYS A 65 3.260 -4.217 10.348 1.00 0.00 N ATOM 1056 CA LYS A 65 3.802 -4.930 11.500 1.00 0.00 C ATOM 1057 C LYS A 65 3.648 -6.440 11.325 1.00 0.00 C ATOM 1058 O LYS A 65 4.506 -7.220 11.746 1.00 0.00 O ATOM 1059 CB LYS A 65 3.062 -4.452 12.752 1.00 0.00 C ATOM 1060 CG LYS A 65 3.546 -5.039 14.060 1.00 0.00 C ATOM 1061 CD LYS A 65 2.786 -4.414 15.219 1.00 0.00 C ATOM 1062 CE LYS A 65 3.209 -4.990 16.557 1.00 0.00 C ATOM 1063 NZ LYS A 65 4.651 -4.760 16.837 1.00 0.00 N ATOM 0 H LYS A 65 2.487 -3.594 10.582 1.00 0.00 H new ATOM 0 HA LYS A 65 4.867 -4.721 11.596 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.144 -3.367 12.809 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.004 -4.686 12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.402 -6.119 14.059 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.615 -4.860 14.176 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.951 -3.337 15.221 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.717 -4.573 15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.611 -4.541 17.350 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.004 -6.060 16.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.862 -5.032 17.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.226 -5.334 16.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.875 -3.754 16.701 1.00 0.00 H new ATOM 1077 N LYS A 66 2.546 -6.843 10.699 1.00 0.00 N ATOM 1078 CA LYS A 66 2.309 -8.246 10.385 1.00 0.00 C ATOM 1079 C LYS A 66 3.415 -8.794 9.488 1.00 0.00 C ATOM 1080 O LYS A 66 3.862 -9.932 9.658 1.00 0.00 O ATOM 1081 CB LYS A 66 0.947 -8.418 9.701 1.00 0.00 C ATOM 1082 CG LYS A 66 0.763 -9.779 9.053 1.00 0.00 C ATOM 1083 CD LYS A 66 -0.601 -9.918 8.410 1.00 0.00 C ATOM 1084 CE LYS A 66 -0.691 -11.179 7.566 1.00 0.00 C ATOM 1085 NZ LYS A 66 -0.357 -12.406 8.338 1.00 0.00 N ATOM 0 H LYS A 66 1.801 -6.214 10.399 1.00 0.00 H new ATOM 0 HA LYS A 66 2.310 -8.807 11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.158 -8.265 10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.830 -7.644 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.536 -9.930 8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.892 -10.559 9.803 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.369 -9.941 9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.802 -9.046 7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.699 -11.271 7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.014 -11.093 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.563 -13.246 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.653 -12.396 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.927 -12.435 9.207 1.00 0.00 H new ATOM 1099 N ILE A 67 3.859 -7.984 8.536 1.00 0.00 N ATOM 1100 CA ILE A 67 4.921 -8.394 7.630 1.00 0.00 C ATOM 1101 C ILE A 67 6.255 -8.503 8.374 1.00 0.00 C ATOM 1102 O ILE A 67 7.069 -9.385 8.082 1.00 0.00 O ATOM 1103 CB ILE A 67 5.053 -7.428 6.438 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.696 -7.256 5.751 1.00 0.00 C ATOM 1105 CG2 ILE A 67 6.081 -7.953 5.447 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.695 -6.211 4.655 1.00 0.00 C ATOM 0 H ILE A 67 3.501 -7.043 8.372 1.00 0.00 H new ATOM 0 HA ILE A 67 4.655 -9.376 7.238 1.00 0.00 H new ATOM 0 HB ILE A 67 5.387 -6.458 6.806 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.389 -8.213 5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.952 -6.985 6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.165 -7.261 4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.049 -8.044 5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.767 -8.930 5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.700 -6.146 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.970 -5.243 5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.414 -6.490 3.885 1.00 0.00 H new ATOM 1118 N GLU A 68 6.469 -7.624 9.349 1.00 0.00 N ATOM 1119 CA GLU A 68 7.640 -7.727 10.216 1.00 0.00 C ATOM 1120 C GLU A 68 7.631 -9.074 10.927 1.00 0.00 C ATOM 1121 O GLU A 68 8.636 -9.787 10.955 1.00 0.00 O ATOM 1122 CB GLU A 68 7.659 -6.612 11.261 1.00 0.00 C ATOM 1123 CG GLU A 68 7.712 -5.209 10.685 1.00 0.00 C ATOM 1124 CD GLU A 68 7.854 -4.166 11.772 1.00 0.00 C ATOM 1125 OE1 GLU A 68 6.831 -3.791 12.379 1.00 0.00 O ATOM 1126 OE2 GLU A 68 8.997 -3.745 12.051 1.00 0.00 O ATOM 0 H GLU A 68 5.853 -6.838 9.558 1.00 0.00 H new ATOM 0 HA GLU A 68 8.529 -7.633 9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.770 -6.701 11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.521 -6.756 11.912 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.550 -5.131 9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.806 -5.016 10.111 1.00 0.00 H new ATOM 1133 N LYS A 69 6.473 -9.413 11.486 1.00 0.00 N ATOM 1134 CA LYS A 69 6.271 -10.687 12.171 1.00 0.00 C ATOM 1135 C LYS A 69 6.436 -11.855 11.197 1.00 0.00 C ATOM 1136 O LYS A 69 6.796 -12.965 11.594 1.00 0.00 O ATOM 1137 CB LYS A 69 4.872 -10.718 12.799 1.00 0.00 C ATOM 1138 CG LYS A 69 4.547 -12.001 13.552 1.00 0.00 C ATOM 1139 CD LYS A 69 3.113 -11.991 14.057 1.00 0.00 C ATOM 1140 CE LYS A 69 2.766 -13.273 14.797 1.00 0.00 C ATOM 1141 NZ LYS A 69 1.355 -13.274 15.264 1.00 0.00 N ATOM 0 H LYS A 69 5.648 -8.813 11.477 1.00 0.00 H new ATOM 0 HA LYS A 69 7.021 -10.787 12.955 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.776 -9.875 13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.131 -10.576 12.012 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.699 -12.859 12.897 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.231 -12.116 14.393 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.967 -11.138 14.720 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.432 -11.861 13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.933 -14.128 14.142 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.432 -13.392 15.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.155 -14.164 15.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.202 -12.473 15.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.719 -13.186 14.446 1.00 0.00 H new ATOM 1155 N LEU A 70 6.183 -11.589 9.919 1.00 0.00 N ATOM 1156 CA LEU A 70 6.301 -12.605 8.884 1.00 0.00 C ATOM 1157 C LEU A 70 7.769 -12.959 8.664 1.00 0.00 C ATOM 1158 O LEU A 70 8.115 -14.113 8.414 1.00 0.00 O ATOM 1159 CB LEU A 70 5.675 -12.102 7.579 1.00 0.00 C ATOM 1160 CG LEU A 70 5.578 -13.130 6.451 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.556 -14.202 6.794 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.216 -12.446 5.141 1.00 0.00 C ATOM 0 H LEU A 70 5.894 -10.673 9.576 1.00 0.00 H new ATOM 0 HA LEU A 70 5.769 -13.500 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.673 -11.733 7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.257 -11.252 7.222 1.00 0.00 H new ATOM 0 HG LEU A 70 6.550 -13.608 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.500 -14.925 5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.855 -14.710 7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.579 -13.741 6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.151 -13.191 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.255 -11.943 5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.983 -11.714 4.889 1.00 0.00 H new ATOM 1174 N GLY A 71 8.629 -11.957 8.779 1.00 0.00 N ATOM 1175 CA GLY A 71 10.050 -12.174 8.597 1.00 0.00 C ATOM 1176 C GLY A 71 10.576 -11.505 7.345 1.00 0.00 C ATOM 1177 O GLY A 71 11.610 -11.901 6.805 1.00 0.00 O ATOM 0 H GLY A 71 8.367 -10.995 8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.588 -11.792 9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.248 -13.245 8.545 1.00 0.00 H new ATOM 1181 N TYR A 72 9.857 -10.496 6.870 1.00 0.00 N ATOM 1182 CA TYR A 72 10.268 -9.761 5.685 1.00 0.00 C ATOM 1183 C TYR A 72 10.240 -8.260 5.944 1.00 0.00 C ATOM 1184 O TYR A 72 9.256 -7.583 5.642 1.00 0.00 O ATOM 1185 CB TYR A 72 9.371 -10.108 4.492 1.00 0.00 C ATOM 1186 CG TYR A 72 9.501 -11.542 4.019 1.00 0.00 C ATOM 1187 CD1 TYR A 72 10.433 -11.892 3.049 1.00 0.00 C ATOM 1188 CD2 TYR A 72 8.688 -12.543 4.537 1.00 0.00 C ATOM 1189 CE1 TYR A 72 10.551 -13.198 2.612 1.00 0.00 C ATOM 1190 CE2 TYR A 72 8.803 -13.850 4.105 1.00 0.00 C ATOM 1191 CZ TYR A 72 9.733 -14.172 3.143 1.00 0.00 C ATOM 1192 OH TYR A 72 9.849 -15.472 2.711 1.00 0.00 O ATOM 0 H TYR A 72 8.986 -10.169 7.289 1.00 0.00 H new ATOM 0 HA TYR A 72 11.291 -10.053 5.447 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.333 -9.919 4.764 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.610 -9.440 3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.075 -11.131 2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.954 -12.295 5.290 1.00 0.00 H new ATOM 0 HE1 TYR A 72 11.281 -13.454 1.858 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.165 -14.616 4.521 1.00 0.00 H new ATOM 0 HH TYR A 72 9.201 -16.033 3.186 1.00 0.00 H new ATOM 1202 N LEU A 73 11.322 -7.744 6.511 1.00 0.00 N ATOM 1203 CA LEU A 73 11.423 -6.321 6.808 1.00 0.00 C ATOM 1204 C LEU A 73 11.514 -5.513 5.524 1.00 0.00 C ATOM 1205 O LEU A 73 11.003 -4.398 5.450 1.00 0.00 O ATOM 1206 CB LEU A 73 12.635 -6.039 7.698 1.00 0.00 C ATOM 1207 CG LEU A 73 12.574 -6.670 9.091 1.00 0.00 C ATOM 1208 CD1 LEU A 73 13.820 -6.328 9.887 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.327 -6.207 9.830 1.00 0.00 C ATOM 0 H LEU A 73 12.143 -8.289 6.775 1.00 0.00 H new ATOM 0 HA LEU A 73 10.523 -6.021 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.531 -6.399 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.743 -4.960 7.809 1.00 0.00 H new ATOM 0 HG LEU A 73 12.526 -7.753 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.758 -6.786 10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.700 -6.706 9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.899 -5.246 9.993 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.299 -6.665 10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.347 -5.122 9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.441 -6.502 9.268 1.00 0.00 H new ATOM 1221 N GLU A 74 12.153 -6.089 4.512 1.00 0.00 N ATOM 1222 CA GLU A 74 12.253 -5.446 3.206 1.00 0.00 C ATOM 1223 C GLU A 74 10.860 -5.247 2.616 1.00 0.00 C ATOM 1224 O GLU A 74 10.530 -4.172 2.119 1.00 0.00 O ATOM 1225 CB GLU A 74 13.095 -6.295 2.255 1.00 0.00 C ATOM 1226 CG GLU A 74 13.310 -5.655 0.893 1.00 0.00 C ATOM 1227 CD GLU A 74 14.333 -4.544 0.922 1.00 0.00 C ATOM 1228 OE1 GLU A 74 15.542 -4.849 0.980 1.00 0.00 O ATOM 1229 OE2 GLU A 74 13.938 -3.362 0.867 1.00 0.00 O ATOM 0 H GLU A 74 12.609 -6.999 4.570 1.00 0.00 H new ATOM 0 HA GLU A 74 12.735 -4.477 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.065 -6.486 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.611 -7.262 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.630 -6.419 0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.362 -5.260 0.529 1.00 0.00 H new ATOM 1236 N ILE A 75 10.046 -6.293 2.695 1.00 0.00 N ATOM 1237 CA ILE A 75 8.689 -6.246 2.177 1.00 0.00 C ATOM 1238 C ILE A 75 7.859 -5.218 2.934 1.00 0.00 C ATOM 1239 O ILE A 75 7.217 -4.378 2.321 1.00 0.00 O ATOM 1240 CB ILE A 75 8.006 -7.631 2.242 1.00 0.00 C ATOM 1241 CG1 ILE A 75 8.766 -8.639 1.374 1.00 0.00 C ATOM 1242 CG2 ILE A 75 6.549 -7.542 1.800 1.00 0.00 C ATOM 1243 CD1 ILE A 75 8.848 -8.250 -0.087 1.00 0.00 C ATOM 0 H ILE A 75 10.306 -7.186 3.115 1.00 0.00 H new ATOM 0 HA ILE A 75 8.751 -5.950 1.130 1.00 0.00 H new ATOM 0 HB ILE A 75 8.026 -7.973 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.776 -8.753 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.281 -9.612 1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.091 -8.530 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.011 -6.856 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.502 -7.177 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.400 -9.012 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.842 -8.164 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.361 -7.293 -0.180 1.00 0.00 H new ATOM 1255 N ALA A 76 7.896 -5.269 4.263 1.00 0.00 N ATOM 1256 CA ALA A 76 7.168 -4.304 5.089 1.00 0.00 C ATOM 1257 C ALA A 76 7.590 -2.877 4.745 1.00 0.00 C ATOM 1258 O ALA A 76 6.756 -1.978 4.609 1.00 0.00 O ATOM 1259 CB ALA A 76 7.403 -4.587 6.565 1.00 0.00 C ATOM 0 H ALA A 76 8.420 -5.966 4.792 1.00 0.00 H new ATOM 0 HA ALA A 76 6.103 -4.406 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.855 -3.861 7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.055 -5.592 6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.468 -4.511 6.785 1.00 0.00 H new ATOM 1265 N MET A 77 8.891 -2.695 4.586 1.00 0.00 N ATOM 1266 CA MET A 77 9.467 -1.412 4.213 1.00 0.00 C ATOM 1267 C MET A 77 8.936 -0.940 2.861 1.00 0.00 C ATOM 1268 O MET A 77 8.467 0.194 2.723 1.00 0.00 O ATOM 1269 CB MET A 77 10.992 -1.544 4.172 1.00 0.00 C ATOM 1270 CG MET A 77 11.717 -0.340 3.598 1.00 0.00 C ATOM 1271 SD MET A 77 13.504 -0.462 3.795 1.00 0.00 S ATOM 1272 CE MET A 77 13.625 -0.687 5.570 1.00 0.00 C ATOM 0 H MET A 77 9.581 -3.436 4.712 1.00 0.00 H new ATOM 0 HA MET A 77 9.181 -0.666 4.955 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.355 -1.721 5.184 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.251 -2.423 3.582 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.476 -0.244 2.539 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.360 0.565 4.090 1.00 0.00 H new ATOM 0 HE1 MET A 77 14.579 -0.296 5.922 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.811 -0.154 6.061 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.558 -1.749 5.808 1.00 0.00 H new ATOM 1282 N ARG A 78 8.992 -1.821 1.875 1.00 0.00 N ATOM 1283 CA ARG A 78 8.609 -1.470 0.516 1.00 0.00 C ATOM 1284 C ARG A 78 7.092 -1.407 0.350 1.00 0.00 C ATOM 1285 O ARG A 78 6.590 -0.639 -0.469 1.00 0.00 O ATOM 1286 CB ARG A 78 9.244 -2.443 -0.480 1.00 0.00 C ATOM 1287 CG ARG A 78 10.760 -2.362 -0.461 1.00 0.00 C ATOM 1288 CD ARG A 78 11.407 -3.159 -1.580 1.00 0.00 C ATOM 1289 NE ARG A 78 12.852 -2.942 -1.602 1.00 0.00 N ATOM 1290 CZ ARG A 78 13.558 -2.699 -2.706 1.00 0.00 C ATOM 1291 NH1 ARG A 78 12.993 -2.796 -3.901 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.842 -2.392 -2.612 1.00 0.00 N ATOM 0 H ARG A 78 9.300 -2.787 1.990 1.00 0.00 H new ATOM 0 HA ARG A 78 8.986 -0.469 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.932 -3.460 -0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.881 -2.223 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.064 -1.318 -0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.127 -2.728 0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.196 -4.220 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.976 -2.866 -2.537 1.00 0.00 H new ATOM 0 HE ARG A 78 13.353 -2.979 -0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.011 -3.058 -3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.541 -2.608 -4.741 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.289 -2.342 -1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.385 -2.206 -3.455 1.00 0.00 H new ATOM 1306 N VAL A 79 6.363 -2.194 1.134 1.00 0.00 N ATOM 1307 CA VAL A 79 4.906 -2.127 1.130 1.00 0.00 C ATOM 1308 C VAL A 79 4.447 -0.782 1.676 1.00 0.00 C ATOM 1309 O VAL A 79 3.501 -0.183 1.160 1.00 0.00 O ATOM 1310 CB VAL A 79 4.260 -3.283 1.936 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.786 -3.013 2.207 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.414 -4.598 1.185 1.00 0.00 C ATOM 0 H VAL A 79 6.754 -2.882 1.777 1.00 0.00 H new ATOM 0 HA VAL A 79 4.577 -2.235 0.097 1.00 0.00 H new ATOM 0 HB VAL A 79 4.776 -3.351 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.362 -3.842 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.684 -2.092 2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.255 -2.912 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.956 -5.402 1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.923 -4.522 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.473 -4.813 1.040 1.00 0.00 H new ATOM 1322 N LYS A 80 5.140 -0.289 2.700 1.00 0.00 N ATOM 1323 CA LYS A 80 4.859 1.038 3.220 1.00 0.00 C ATOM 1324 C LYS A 80 5.135 2.071 2.137 1.00 0.00 C ATOM 1325 O LYS A 80 4.393 3.036 1.991 1.00 0.00 O ATOM 1326 CB LYS A 80 5.700 1.356 4.458 1.00 0.00 C ATOM 1327 CG LYS A 80 5.233 2.612 5.184 1.00 0.00 C ATOM 1328 CD LYS A 80 6.191 3.026 6.288 1.00 0.00 C ATOM 1329 CE LYS A 80 7.430 3.715 5.736 1.00 0.00 C ATOM 1330 NZ LYS A 80 7.100 5.001 5.052 1.00 0.00 N ATOM 0 H LYS A 80 5.891 -0.786 3.179 1.00 0.00 H new ATOM 0 HA LYS A 80 3.810 1.068 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.662 0.510 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.742 1.479 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.132 3.427 4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.245 2.438 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.680 3.697 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.489 2.146 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.130 3.907 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.932 3.050 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.979 5.478 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.521 4.808 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.570 5.614 5.703 1.00 0.00 H new ATOM 1344 N GLN A 81 6.207 1.855 1.381 1.00 0.00 N ATOM 1345 CA GLN A 81 6.555 2.727 0.264 1.00 0.00 C ATOM 1346 C GLN A 81 5.438 2.739 -0.780 1.00 0.00 C ATOM 1347 O GLN A 81 5.045 3.805 -1.262 1.00 0.00 O ATOM 1348 CB GLN A 81 7.875 2.281 -0.372 1.00 0.00 C ATOM 1349 CG GLN A 81 8.301 3.113 -1.576 1.00 0.00 C ATOM 1350 CD GLN A 81 8.509 4.578 -1.238 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.602 4.992 -0.858 1.00 0.00 O ATOM 1352 NE2 GLN A 81 7.459 5.373 -1.380 1.00 0.00 N ATOM 0 H GLN A 81 6.853 1.079 1.523 1.00 0.00 H new ATOM 0 HA GLN A 81 6.678 3.740 0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.661 2.324 0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.784 1.239 -0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.225 2.705 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.544 3.029 -2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.569 4.990 -1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.541 6.368 -1.171 1.00 0.00 H new ATOM 1361 N TYR A 82 4.927 1.554 -1.117 1.00 0.00 N ATOM 1362 CA TYR A 82 3.800 1.443 -2.041 1.00 0.00 C ATOM 1363 C TYR A 82 2.618 2.236 -1.506 1.00 0.00 C ATOM 1364 O TYR A 82 2.045 3.074 -2.202 1.00 0.00 O ATOM 1365 CB TYR A 82 3.369 -0.017 -2.231 1.00 0.00 C ATOM 1366 CG TYR A 82 4.455 -0.943 -2.734 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.369 -0.528 -3.692 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.559 -2.239 -2.244 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.358 -1.378 -4.147 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.545 -3.094 -2.695 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.441 -2.660 -3.645 1.00 0.00 C ATOM 1372 OH TYR A 82 7.418 -3.511 -4.104 1.00 0.00 O ATOM 0 H TYR A 82 5.274 0.662 -0.765 1.00 0.00 H new ATOM 0 HA TYR A 82 4.122 1.840 -3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.999 -0.398 -1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.534 -0.046 -2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.306 0.475 -4.088 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.857 -2.583 -1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.063 -1.040 -4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.613 -4.098 -2.304 1.00 0.00 H new ATOM 0 HH TYR A 82 8.047 -3.013 -4.667 1.00 0.00 H new ATOM 1382 N ALA A 83 2.274 1.974 -0.250 1.00 0.00 N ATOM 1383 CA ALA A 83 1.167 2.649 0.405 1.00 0.00 C ATOM 1384 C ALA A 83 1.388 4.156 0.452 1.00 0.00 C ATOM 1385 O ALA A 83 0.445 4.922 0.300 1.00 0.00 O ATOM 1386 CB ALA A 83 0.967 2.095 1.807 1.00 0.00 C ATOM 0 H ALA A 83 2.753 1.291 0.337 1.00 0.00 H new ATOM 0 HA ALA A 83 0.265 2.463 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.134 2.610 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.749 1.029 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.874 2.249 2.392 1.00 0.00 H new ATOM 1392 N THR A 84 2.635 4.575 0.648 1.00 0.00 N ATOM 1393 CA THR A 84 2.973 5.994 0.703 1.00 0.00 C ATOM 1394 C THR A 84 2.546 6.708 -0.578 1.00 0.00 C ATOM 1395 O THR A 84 1.983 7.807 -0.535 1.00 0.00 O ATOM 1396 CB THR A 84 4.487 6.205 0.930 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.900 5.548 2.136 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.824 7.681 1.030 1.00 0.00 C ATOM 0 H THR A 84 3.431 3.949 0.772 1.00 0.00 H new ATOM 0 HA THR A 84 2.431 6.420 1.547 1.00 0.00 H new ATOM 0 HB THR A 84 5.015 5.780 0.076 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.019 4.591 1.963 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.896 7.800 1.190 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.537 8.183 0.106 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.282 8.122 1.866 1.00 0.00 H new ATOM 1406 N ALA A 85 2.793 6.066 -1.715 1.00 0.00 N ATOM 1407 CA ALA A 85 2.400 6.619 -3.003 1.00 0.00 C ATOM 1408 C ALA A 85 0.882 6.652 -3.129 1.00 0.00 C ATOM 1409 O ALA A 85 0.309 7.614 -3.646 1.00 0.00 O ATOM 1410 CB ALA A 85 3.014 5.814 -4.135 1.00 0.00 C ATOM 0 H ALA A 85 3.263 5.163 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 85 2.771 7.642 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.710 6.240 -5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.101 5.842 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.672 4.781 -4.074 1.00 0.00 H new ATOM 1416 N ILE A 86 0.236 5.602 -2.635 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.219 5.518 -2.639 1.00 0.00 C ATOM 1418 C ILE A 86 -1.816 6.595 -1.733 1.00 0.00 C ATOM 1419 O ILE A 86 -2.845 7.188 -2.050 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.701 4.126 -2.175 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.033 3.031 -3.015 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.220 4.025 -2.272 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.308 1.627 -2.523 1.00 0.00 C ATOM 0 H ILE A 86 0.701 4.792 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.557 5.677 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.417 3.988 -1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.376 3.118 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.044 3.198 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.541 3.037 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.676 4.786 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.530 4.180 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.802 0.909 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.939 1.520 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.381 1.438 -2.543 1.00 0.00 H new ATOM 1435 N MET A 87 -1.152 6.854 -0.613 1.00 0.00 N ATOM 1436 CA MET A 87 -1.580 7.898 0.313 1.00 0.00 C ATOM 1437 C MET A 87 -1.522 9.262 -0.360 1.00 0.00 C ATOM 1438 O MET A 87 -2.398 10.096 -0.164 1.00 0.00 O ATOM 1439 CB MET A 87 -0.702 7.906 1.564 1.00 0.00 C ATOM 1440 CG MET A 87 -0.766 6.620 2.365 1.00 0.00 C ATOM 1441 SD MET A 87 0.444 6.573 3.701 1.00 0.00 S ATOM 1442 CE MET A 87 0.279 4.868 4.224 1.00 0.00 C ATOM 0 H MET A 87 -0.312 6.354 -0.322 1.00 0.00 H new ATOM 0 HA MET A 87 -2.608 7.687 0.606 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.332 8.089 1.270 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.003 8.736 2.203 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.767 6.506 2.782 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.599 5.773 1.699 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.622 4.769 5.254 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.767 4.567 4.159 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.881 4.229 3.578 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.487 9.479 -1.163 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.354 10.719 -1.918 1.00 0.00 C ATOM 1454 C ARG A 88 -1.497 10.844 -2.924 1.00 0.00 C ATOM 1455 O ARG A 88 -2.033 11.931 -3.147 1.00 0.00 O ATOM 1456 CB ARG A 88 1.006 10.768 -2.624 1.00 0.00 C ATOM 1457 CG ARG A 88 1.177 11.949 -3.567 1.00 0.00 C ATOM 1458 CD ARG A 88 2.598 12.037 -4.098 1.00 0.00 C ATOM 1459 NE ARG A 88 2.710 12.975 -5.214 1.00 0.00 N ATOM 1460 CZ ARG A 88 3.649 13.915 -5.313 1.00 0.00 C ATOM 1461 NH1 ARG A 88 4.521 14.108 -4.329 1.00 0.00 N ATOM 1462 NH2 ARG A 88 3.697 14.682 -6.392 1.00 0.00 N ATOM 0 H ARG A 88 0.272 8.813 -1.308 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.409 11.563 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.793 10.802 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.144 9.845 -3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.481 11.854 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.925 12.872 -3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.266 12.348 -3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.926 11.049 -4.421 1.00 0.00 H new ATOM 0 HE ARG A 88 2.024 12.905 -5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.476 13.534 -3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.236 14.831 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.017 14.551 -7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.414 15.403 -6.473 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.876 9.719 -3.511 1.00 0.00 N ATOM 1477 CA TYR A 89 -3.017 9.663 -4.417 1.00 0.00 C ATOM 1478 C TYR A 89 -4.300 9.955 -3.632 1.00 0.00 C ATOM 1479 O TYR A 89 -5.193 10.660 -4.105 1.00 0.00 O ATOM 1480 CB TYR A 89 -3.081 8.273 -5.063 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.811 8.215 -6.389 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.166 8.570 -7.568 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -5.130 7.783 -6.470 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -3.813 8.502 -8.787 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.784 7.709 -7.688 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.120 8.069 -8.843 1.00 0.00 C ATOM 1487 OH TYR A 89 -5.763 7.993 -10.063 1.00 0.00 O ATOM 0 H TYR A 89 -1.406 8.824 -3.375 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.910 10.410 -5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.064 7.910 -5.210 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.567 7.588 -4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.140 8.905 -7.531 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.653 7.501 -5.568 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.297 8.787 -9.692 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.809 7.371 -7.734 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.234 7.443 -10.678 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.349 9.430 -2.410 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.486 9.610 -1.512 1.00 0.00 C ATOM 1499 C ALA A 90 -5.643 11.064 -1.076 1.00 0.00 C ATOM 1500 O ALA A 90 -6.762 11.557 -0.938 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.333 8.712 -0.293 1.00 0.00 C ATOM 0 H ALA A 90 -3.598 8.865 -2.014 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.387 9.332 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.185 8.853 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.289 7.671 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.415 8.969 0.235 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.523 11.740 -0.837 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.543 13.154 -0.466 1.00 0.00 C ATOM 1509 C VAL A 91 -5.105 13.998 -1.605 1.00 0.00 C ATOM 1510 O VAL A 91 -5.877 14.932 -1.384 1.00 0.00 O ATOM 1511 CB VAL A 91 -3.131 13.670 -0.091 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -3.151 15.167 0.188 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.587 12.922 1.114 1.00 0.00 C ATOM 0 H VAL A 91 -3.590 11.333 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.185 13.247 0.410 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.475 13.487 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.147 15.502 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.491 15.698 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.829 15.374 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.595 13.300 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.252 13.069 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.523 11.859 0.884 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.733 13.641 -2.826 1.00 0.00 N ATOM 1524 CA GLN A 92 -5.174 14.373 -4.006 1.00 0.00 C ATOM 1525 C GLN A 92 -6.665 14.156 -4.269 1.00 0.00 C ATOM 1526 O GLN A 92 -7.336 15.024 -4.823 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.335 13.964 -5.217 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.869 14.338 -5.068 1.00 0.00 C ATOM 1529 CD GLN A 92 -1.995 13.768 -6.164 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -1.788 14.395 -7.202 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -1.463 12.578 -5.932 1.00 0.00 N ATOM 0 H GLN A 92 -4.125 12.847 -3.026 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.030 15.438 -3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.418 12.887 -5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.738 14.440 -6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.776 15.424 -5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.507 13.985 -4.102 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.661 12.093 -5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.855 12.147 -6.628 1.00 0.00 H new ATOM 1540 N GLN A 93 -7.181 13.001 -3.862 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.617 12.737 -3.937 1.00 0.00 C ATOM 1542 C GLN A 93 -9.312 13.243 -2.676 1.00 0.00 C ATOM 1543 O GLN A 93 -10.540 13.240 -2.580 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.887 11.244 -4.119 1.00 0.00 C ATOM 1545 CG GLN A 93 -8.387 10.689 -5.442 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.735 9.227 -5.622 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.814 8.474 -4.656 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -8.956 8.819 -6.863 1.00 0.00 N ATOM 0 H GLN A 93 -6.630 12.234 -3.478 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.016 13.267 -4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.414 10.696 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.960 11.066 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.817 11.266 -6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.305 10.812 -5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.880 9.478 -7.638 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.202 7.846 -7.044 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.498 13.672 -1.721 1.00 0.00 N ATOM 1558 CA LYS A 94 -8.961 14.199 -0.441 1.00 0.00 C ATOM 1559 C LYS A 94 -9.759 13.160 0.340 1.00 0.00 C ATOM 1560 O LYS A 94 -10.859 13.427 0.824 1.00 0.00 O ATOM 1561 CB LYS A 94 -9.796 15.464 -0.626 1.00 0.00 C ATOM 1562 CG LYS A 94 -9.907 16.272 0.653 1.00 0.00 C ATOM 1563 CD LYS A 94 -10.556 17.621 0.426 1.00 0.00 C ATOM 1564 CE LYS A 94 -10.541 18.447 1.700 1.00 0.00 C ATOM 1565 NZ LYS A 94 -9.163 18.604 2.238 1.00 0.00 N ATOM 0 H LYS A 94 -7.482 13.664 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.070 14.452 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.349 16.081 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.794 15.191 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.487 15.711 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.913 16.416 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.029 18.155 -0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.583 17.483 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.968 19.430 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.172 17.971 2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.124 19.440 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.906 17.758 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.494 18.723 1.450 1.00 0.00 H new ATOM 1579 N MET A 95 -9.207 11.969 0.451 1.00 0.00 N ATOM 1580 CA MET A 95 -9.794 10.955 1.308 1.00 0.00 C ATOM 1581 C MET A 95 -9.138 11.022 2.675 1.00 0.00 C ATOM 1582 O MET A 95 -9.750 10.712 3.694 1.00 0.00 O ATOM 1583 CB MET A 95 -9.618 9.566 0.710 1.00 0.00 C ATOM 1584 CG MET A 95 -10.204 9.425 -0.680 1.00 0.00 C ATOM 1585 SD MET A 95 -10.125 7.732 -1.272 1.00 0.00 S ATOM 1586 CE MET A 95 -8.375 7.414 -1.075 1.00 0.00 C ATOM 0 H MET A 95 -8.359 11.679 -0.037 1.00 0.00 H new ATOM 0 HA MET A 95 -10.863 11.146 1.401 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.555 9.328 0.673 1.00 0.00 H new ATOM 0 HB3 MET A 95 -10.086 8.834 1.368 1.00 0.00 H new ATOM 0 HG2 MET A 95 -11.242 9.759 -0.672 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.665 10.076 -1.369 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.197 6.339 -1.086 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.826 7.881 -1.892 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.035 7.828 -0.126 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.883 11.445 2.674 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.132 11.642 3.900 1.00 0.00 C ATOM 1598 C ILE A 96 -6.552 13.053 3.913 1.00 0.00 C ATOM 1599 O ILE A 96 -6.768 13.822 2.972 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.003 10.594 4.055 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -5.024 10.671 2.879 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.593 9.196 4.171 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.851 9.723 3.002 1.00 0.00 C ATOM 0 H ILE A 96 -7.360 11.660 1.825 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.810 11.513 4.744 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.451 10.815 4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.561 10.453 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.649 11.691 2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.788 8.469 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.245 9.148 5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.169 8.968 3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.201 9.834 2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.290 9.954 3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.216 8.697 3.054 1.00 0.00 H new ATOM 1615 N ARG A 97 -5.828 13.398 4.964 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.295 14.748 5.103 1.00 0.00 C ATOM 1617 C ARG A 97 -3.866 14.809 4.585 1.00 0.00 C ATOM 1618 O ARG A 97 -3.559 15.557 3.658 1.00 0.00 O ATOM 1619 CB ARG A 97 -5.336 15.185 6.568 1.00 0.00 C ATOM 1620 CG ARG A 97 -6.714 15.074 7.195 1.00 0.00 C ATOM 1621 CD ARG A 97 -6.672 15.361 8.686 1.00 0.00 C ATOM 1622 NE ARG A 97 -7.932 15.010 9.343 1.00 0.00 N ATOM 1623 CZ ARG A 97 -8.100 13.915 10.089 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -7.088 13.074 10.273 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -9.273 13.667 10.660 1.00 0.00 N ATOM 0 H ARG A 97 -5.595 12.768 5.731 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.913 15.426 4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.635 14.577 7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.995 16.218 6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.394 15.773 6.708 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.112 14.073 7.027 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.856 14.800 9.141 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.460 16.418 8.847 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.727 15.638 9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.182 13.264 9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.217 12.238 10.843 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.051 14.314 10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.396 12.829 11.229 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.002 14.010 5.193 1.00 0.00 N ATOM 1640 CA PHE A 98 -1.595 13.967 4.828 1.00 0.00 C ATOM 1641 C PHE A 98 -1.133 12.520 4.736 1.00 0.00 C ATOM 1642 O PHE A 98 -1.946 11.600 4.842 1.00 0.00 O ATOM 1643 CB PHE A 98 -0.745 14.731 5.852 1.00 0.00 C ATOM 1644 CG PHE A 98 -1.055 16.201 5.922 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -0.512 17.080 4.998 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -1.890 16.701 6.908 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -0.798 18.430 5.055 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -2.178 18.050 6.970 1.00 0.00 C ATOM 1649 CZ PHE A 98 -1.631 18.916 6.044 1.00 0.00 C ATOM 0 H PHE A 98 -3.256 13.376 5.950 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.470 14.446 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.896 14.290 6.837 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.309 14.603 5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.142 16.705 4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.320 16.029 7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.371 19.105 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.831 18.428 7.743 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.854 19.972 6.093 1.00 0.00 H new ATOM 1659 N ASN A 99 0.165 12.319 4.555 1.00 0.00 N ATOM 1660 CA ASN A 99 0.724 10.978 4.420 1.00 0.00 C ATOM 1661 C ASN A 99 1.171 10.443 5.775 1.00 0.00 C ATOM 1662 O ASN A 99 2.209 10.854 6.295 1.00 0.00 O ATOM 1663 CB ASN A 99 1.924 10.983 3.466 1.00 0.00 C ATOM 1664 CG ASN A 99 1.568 11.386 2.047 1.00 0.00 C ATOM 1665 OD1 ASN A 99 1.308 10.404 1.197 1.00 0.00 O flip ATOM 1666 ND2 ASN A 99 1.556 12.567 1.709 1.00 0.00 N flip ATOM 0 H ASN A 99 0.854 13.069 4.498 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.057 10.334 4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.681 11.667 3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.371 9.989 3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.762 13.295 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.340 12.819 0.744 1.00 0.00 H new ATOM 1673 N PRO A 100 0.409 9.505 6.363 1.00 0.00 N ATOM 1674 CA PRO A 100 0.744 8.916 7.667 1.00 0.00 C ATOM 1675 C PRO A 100 2.091 8.201 7.639 1.00 0.00 C ATOM 1676 O PRO A 100 2.783 8.107 8.651 1.00 0.00 O ATOM 1677 CB PRO A 100 -0.388 7.915 7.918 1.00 0.00 C ATOM 1678 CG PRO A 100 -1.499 8.358 7.030 1.00 0.00 C ATOM 1679 CD PRO A 100 -0.840 8.950 5.819 1.00 0.00 C ATOM 0 HA PRO A 100 0.832 9.673 8.446 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.075 6.898 7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.694 7.919 8.964 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.140 7.520 6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.131 9.092 7.530 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.648 8.197 5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.458 9.721 5.359 1.00 0.00 H new ATOM 1687 N ALA A 101 2.468 7.721 6.459 1.00 0.00 N ATOM 1688 CA ALA A 101 3.730 7.017 6.284 1.00 0.00 C ATOM 1689 C ALA A 101 4.913 7.985 6.241 1.00 0.00 C ATOM 1690 O ALA A 101 6.071 7.557 6.239 1.00 0.00 O ATOM 1691 CB ALA A 101 3.690 6.172 5.021 1.00 0.00 C ATOM 0 H ALA A 101 1.914 7.808 5.607 1.00 0.00 H new ATOM 0 HA ALA A 101 3.869 6.363 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.640 5.651 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.883 5.443 5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.518 6.815 4.158 1.00 0.00 H new ATOM 1697 N TYR A 102 4.616 9.281 6.179 1.00 0.00 N ATOM 1698 CA TYR A 102 5.643 10.316 6.240 1.00 0.00 C ATOM 1699 C TYR A 102 5.638 10.986 7.606 1.00 0.00 C ATOM 1700 O TYR A 102 6.692 11.305 8.155 1.00 0.00 O ATOM 1701 CB TYR A 102 5.429 11.381 5.158 1.00 0.00 C ATOM 1702 CG TYR A 102 6.071 11.062 3.825 1.00 0.00 C ATOM 1703 CD1 TYR A 102 7.417 10.726 3.746 1.00 0.00 C ATOM 1704 CD2 TYR A 102 5.339 11.114 2.646 1.00 0.00 C ATOM 1705 CE1 TYR A 102 8.013 10.446 2.532 1.00 0.00 C ATOM 1706 CE2 TYR A 102 5.928 10.838 1.428 1.00 0.00 C ATOM 1707 CZ TYR A 102 7.264 10.504 1.376 1.00 0.00 C ATOM 1708 OH TYR A 102 7.854 10.229 0.164 1.00 0.00 O ATOM 0 H TYR A 102 3.666 9.640 6.086 1.00 0.00 H new ATOM 0 HA TYR A 102 6.605 9.832 6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 102 4.358 11.517 5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.824 12.331 5.519 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.007 10.683 4.649 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.292 11.375 2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 102 9.060 10.183 2.488 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.344 10.884 0.520 1.00 0.00 H new ATOM 0 HH TYR A 102 7.188 10.313 -0.550 1.00 0.00 H new ATOM 1718 N ASP A 103 4.443 11.165 8.165 1.00 0.00 N ATOM 1719 CA ASP A 103 4.280 11.871 9.436 1.00 0.00 C ATOM 1720 C ASP A 103 4.716 11.020 10.624 1.00 0.00 C ATOM 1721 O ASP A 103 4.402 11.327 11.773 1.00 0.00 O ATOM 1722 CB ASP A 103 2.835 12.338 9.617 1.00 0.00 C ATOM 1723 CG ASP A 103 2.662 13.800 9.254 1.00 0.00 C ATOM 1724 OD1 ASP A 103 2.420 14.105 8.066 1.00 0.00 O ATOM 1725 OD2 ASP A 103 2.778 14.657 10.156 1.00 0.00 O ATOM 0 H ASP A 103 3.570 10.830 7.757 1.00 0.00 H new ATOM 0 HA ASP A 103 4.931 12.745 9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.177 11.730 8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.531 12.183 10.652 1.00 0.00 H new ATOM 1730 N LEU A 104 5.457 9.955 10.337 1.00 0.00 N ATOM 1731 CA LEU A 104 6.119 9.178 11.374 1.00 0.00 C ATOM 1732 C LEU A 104 7.235 10.012 11.994 1.00 0.00 C ATOM 1733 O LEU A 104 7.739 9.696 13.074 1.00 0.00 O ATOM 1734 CB LEU A 104 6.694 7.883 10.793 1.00 0.00 C ATOM 1735 CG LEU A 104 5.662 6.897 10.240 1.00 0.00 C ATOM 1736 CD1 LEU A 104 6.356 5.707 9.596 1.00 0.00 C ATOM 1737 CD2 LEU A 104 4.727 6.429 11.345 1.00 0.00 C ATOM 0 H LEU A 104 5.614 9.610 9.390 1.00 0.00 H new ATOM 0 HA LEU A 104 5.390 8.915 12.140 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.390 8.140 9.995 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.271 7.381 11.569 1.00 0.00 H new ATOM 0 HG LEU A 104 5.071 7.408 9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.608 5.016 9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.989 6.053 8.779 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.970 5.198 10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.000 5.729 10.934 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.305 5.935 12.126 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.205 7.287 11.768 1.00 0.00 H new ATOM 1749 N GLU A 105 7.636 11.060 11.265 1.00 0.00 N ATOM 1750 CA GLU A 105 8.593 12.058 11.750 1.00 0.00 C ATOM 1751 C GLU A 105 9.961 11.442 12.035 1.00 0.00 C ATOM 1752 O GLU A 105 10.774 12.014 12.761 1.00 0.00 O ATOM 1753 CB GLU A 105 8.035 12.754 12.993 1.00 0.00 C ATOM 1754 CG GLU A 105 6.723 13.476 12.731 1.00 0.00 C ATOM 1755 CD GLU A 105 6.113 14.062 13.982 1.00 0.00 C ATOM 1756 OE1 GLU A 105 6.433 15.219 14.319 1.00 0.00 O ATOM 1757 OE2 GLU A 105 5.309 13.369 14.642 1.00 0.00 O ATOM 0 H GLU A 105 7.303 11.239 10.318 1.00 0.00 H new ATOM 0 HA GLU A 105 8.737 12.799 10.964 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.886 12.015 13.780 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.770 13.469 13.363 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.892 14.274 12.007 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.015 12.780 12.280 1.00 0.00 H new ATOM 1764 N GLY A 106 10.210 10.286 11.437 1.00 0.00 N ATOM 1765 CA GLY A 106 11.493 9.630 11.581 1.00 0.00 C ATOM 1766 C GLY A 106 11.719 9.076 12.973 1.00 0.00 C ATOM 1767 O GLY A 106 12.857 8.957 13.416 1.00 0.00 O ATOM 0 H GLY A 106 9.541 9.788 10.850 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.564 8.819 10.857 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.286 10.339 11.344 1.00 0.00 H new ATOM 1771 N ALA A 107 10.639 8.743 13.666 1.00 0.00 N ATOM 1772 CA ALA A 107 10.742 8.163 14.999 1.00 0.00 C ATOM 1773 C ALA A 107 11.102 6.684 14.921 1.00 0.00 C ATOM 1774 O ALA A 107 11.568 6.092 15.893 1.00 0.00 O ATOM 1775 CB ALA A 107 9.442 8.355 15.764 1.00 0.00 C ATOM 0 H ALA A 107 9.684 8.864 13.329 1.00 0.00 H new ATOM 0 HA ALA A 107 11.539 8.679 15.534 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.536 7.916 16.757 1.00 0.00 H new ATOM 0 HB2 ALA A 107 9.228 9.420 15.857 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.628 7.867 15.227 1.00 0.00 H new ATOM 1781 N VAL A 108 10.884 6.093 13.752 1.00 0.00 N ATOM 1782 CA VAL A 108 11.199 4.689 13.534 1.00 0.00 C ATOM 1783 C VAL A 108 12.711 4.477 13.456 1.00 0.00 C ATOM 1784 O VAL A 108 13.420 5.227 12.788 1.00 0.00 O ATOM 1785 CB VAL A 108 10.525 4.145 12.254 1.00 0.00 C ATOM 1786 CG1 VAL A 108 9.016 4.087 12.432 1.00 0.00 C ATOM 1787 CG2 VAL A 108 10.882 4.999 11.045 1.00 0.00 C ATOM 0 H VAL A 108 10.489 6.567 12.940 1.00 0.00 H new ATOM 0 HA VAL A 108 10.806 4.135 14.386 1.00 0.00 H new ATOM 0 HB VAL A 108 10.897 3.135 12.079 1.00 0.00 H new ATOM 0 HG11 VAL A 108 8.557 3.702 11.522 1.00 0.00 H new ATOM 0 HG12 VAL A 108 8.773 3.430 13.267 1.00 0.00 H new ATOM 0 HG13 VAL A 108 8.635 5.088 12.635 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.395 4.595 10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.544 6.022 11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.962 4.992 10.901 1.00 0.00 H new ATOM 1797 N GLN A 109 13.197 3.458 14.151 1.00 0.00 N ATOM 1798 CA GLN A 109 14.631 3.197 14.219 1.00 0.00 C ATOM 1799 C GLN A 109 15.064 2.194 13.149 1.00 0.00 C ATOM 1800 O GLN A 109 16.252 1.939 12.968 1.00 0.00 O ATOM 1801 CB GLN A 109 15.005 2.664 15.605 1.00 0.00 C ATOM 1802 CG GLN A 109 14.436 3.484 16.752 1.00 0.00 C ATOM 1803 CD GLN A 109 14.885 2.976 18.108 1.00 0.00 C ATOM 1804 OE1 GLN A 109 15.168 1.790 18.278 1.00 0.00 O ATOM 1805 NE2 GLN A 109 14.928 3.865 19.088 1.00 0.00 N ATOM 0 H GLN A 109 12.622 2.799 14.675 1.00 0.00 H new ATOM 0 HA GLN A 109 15.150 4.138 14.038 1.00 0.00 H new ATOM 0 HB2 GLN A 109 14.653 1.636 15.696 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.091 2.638 15.693 1.00 0.00 H new ATOM 0 HG2 GLN A 109 14.742 4.524 16.638 1.00 0.00 H new ATOM 0 HG3 GLN A 109 13.347 3.465 16.703 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.686 4.839 18.904 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.204 3.576 20.027 1.00 0.00 H new ATOM 1814 N LYS A 110 14.092 1.626 12.443 1.00 0.00 N ATOM 1815 CA LYS A 110 14.378 0.613 11.428 1.00 0.00 C ATOM 1816 C LYS A 110 14.458 1.240 10.042 1.00 0.00 C ATOM 1817 O LYS A 110 14.666 0.546 9.046 1.00 0.00 O ATOM 1818 CB LYS A 110 13.300 -0.471 11.427 1.00 0.00 C ATOM 1819 CG LYS A 110 13.034 -1.084 12.790 1.00 0.00 C ATOM 1820 CD LYS A 110 12.038 -2.226 12.688 1.00 0.00 C ATOM 1821 CE LYS A 110 11.598 -2.706 14.057 1.00 0.00 C ATOM 1822 NZ LYS A 110 10.740 -3.913 13.967 1.00 0.00 N ATOM 0 H LYS A 110 13.102 1.847 12.553 1.00 0.00 H new ATOM 0 HA LYS A 110 15.341 0.164 11.674 1.00 0.00 H new ATOM 0 HB2 LYS A 110 12.372 -0.045 11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 110 13.596 -1.261 10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 110 13.968 -1.448 13.217 1.00 0.00 H new ATOM 0 HG3 LYS A 110 12.650 -0.321 13.467 1.00 0.00 H new ATOM 0 HD2 LYS A 110 11.167 -1.901 12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.487 -3.053 12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 110 12.476 -2.928 14.664 1.00 0.00 H new ATOM 0 HE3 LYS A 110 11.053 -1.910 14.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.072 -3.924 14.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.211 -3.897 13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.335 -4.765 14.002 1.00 0.00 H new ATOM 1836 N LEU A 111 14.301 2.549 9.986 1.00 0.00 N ATOM 1837 CA LEU A 111 14.266 3.260 8.722 1.00 0.00 C ATOM 1838 C LEU A 111 15.054 4.555 8.846 1.00 0.00 C ATOM 1839 O LEU A 111 15.351 4.994 9.959 1.00 0.00 O ATOM 1840 CB LEU A 111 12.810 3.556 8.338 1.00 0.00 C ATOM 1841 CG LEU A 111 12.590 4.121 6.934 1.00 0.00 C ATOM 1842 CD1 LEU A 111 12.903 3.071 5.882 1.00 0.00 C ATOM 1843 CD2 LEU A 111 11.163 4.625 6.777 1.00 0.00 C ATOM 0 H LEU A 111 14.195 3.145 10.807 1.00 0.00 H new ATOM 0 HA LEU A 111 14.717 2.645 7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.236 2.634 8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.400 4.262 9.061 1.00 0.00 H new ATOM 0 HG LEU A 111 13.268 4.963 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.741 3.491 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.943 2.758 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.250 2.209 6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.026 5.023 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 111 10.467 3.802 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 111 10.972 5.411 7.508 1.00 0.00 H new ATOM 1855 N GLU A 112 15.407 5.146 7.713 1.00 0.00 N ATOM 1856 CA GLU A 112 16.073 6.437 7.704 1.00 0.00 C ATOM 1857 C GLU A 112 15.186 7.474 8.379 1.00 0.00 C ATOM 1858 O GLU A 112 14.012 7.621 8.033 1.00 0.00 O ATOM 1859 CB GLU A 112 16.386 6.866 6.270 1.00 0.00 C ATOM 1860 CG GLU A 112 17.296 5.898 5.533 1.00 0.00 C ATOM 1861 CD GLU A 112 17.462 6.261 4.074 1.00 0.00 C ATOM 1862 OE1 GLU A 112 16.562 5.933 3.272 1.00 0.00 O ATOM 1863 OE2 GLU A 112 18.486 6.872 3.719 1.00 0.00 O ATOM 0 H GLU A 112 15.242 4.750 6.788 1.00 0.00 H new ATOM 0 HA GLU A 112 17.012 6.355 8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.452 6.967 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.854 7.850 6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 112 18.274 5.884 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.888 4.890 5.610 1.00 0.00 H new ATOM 1870 N HIS A 113 15.753 8.188 9.339 1.00 0.00 N ATOM 1871 CA HIS A 113 14.991 9.139 10.137 1.00 0.00 C ATOM 1872 C HIS A 113 14.555 10.325 9.289 1.00 0.00 C ATOM 1873 O HIS A 113 13.531 10.948 9.556 1.00 0.00 O ATOM 1874 CB HIS A 113 15.809 9.616 11.338 1.00 0.00 C ATOM 1875 CG HIS A 113 16.173 8.519 12.295 1.00 0.00 C ATOM 1876 ND1 HIS A 113 15.367 8.130 13.343 1.00 0.00 N ATOM 1877 CD2 HIS A 113 17.266 7.721 12.355 1.00 0.00 C ATOM 1878 CE1 HIS A 113 15.947 7.148 14.004 1.00 0.00 C ATOM 1879 NE2 HIS A 113 17.100 6.878 13.426 1.00 0.00 N ATOM 0 H HIS A 113 16.741 8.127 9.586 1.00 0.00 H new ATOM 0 HA HIS A 113 14.099 8.632 10.507 1.00 0.00 H new ATOM 0 HB2 HIS A 113 16.722 10.090 10.979 1.00 0.00 H new ATOM 0 HB3 HIS A 113 15.242 10.379 11.872 1.00 0.00 H new ATOM 0 HD1 HIS A 113 14.461 8.539 13.572 1.00 0.00 H new ATOM 0 HD2 HIS A 113 18.112 7.744 11.684 1.00 0.00 H new ATOM 0 HE1 HIS A 113 15.545 6.649 14.873 1.00 0.00 H new ATOM 1888 N HIS A 114 15.343 10.641 8.274 1.00 0.00 N ATOM 1889 CA HIS A 114 14.975 11.670 7.317 1.00 0.00 C ATOM 1890 C HIS A 114 15.286 11.208 5.903 1.00 0.00 C ATOM 1891 O HIS A 114 16.427 11.284 5.448 1.00 0.00 O ATOM 1892 CB HIS A 114 15.686 12.995 7.612 1.00 0.00 C ATOM 1893 CG HIS A 114 15.162 13.706 8.823 1.00 0.00 C ATOM 1894 ND1 HIS A 114 14.046 14.514 8.797 1.00 0.00 N ATOM 1895 CD2 HIS A 114 15.599 13.716 10.105 1.00 0.00 C ATOM 1896 CE1 HIS A 114 13.818 14.986 10.006 1.00 0.00 C ATOM 1897 NE2 HIS A 114 14.744 14.518 10.819 1.00 0.00 N ATOM 0 H HIS A 114 16.244 10.198 8.092 1.00 0.00 H new ATOM 0 HA HIS A 114 13.903 11.842 7.409 1.00 0.00 H new ATOM 0 HB2 HIS A 114 16.750 12.803 7.747 1.00 0.00 H new ATOM 0 HB3 HIS A 114 15.587 13.650 6.746 1.00 0.00 H new ATOM 0 HD2 HIS A 114 16.459 13.191 10.493 1.00 0.00 H new ATOM 0 HE1 HIS A 114 13.009 15.645 10.284 1.00 0.00 H new ATOM 0 HE2 HIS A 114 14.814 14.719 11.817 1.00 0.00 H new ATOM 1906 N HIS A 115 14.272 10.699 5.224 1.00 0.00 N ATOM 1907 CA HIS A 115 14.416 10.256 3.846 1.00 0.00 C ATOM 1908 C HIS A 115 13.769 11.273 2.917 1.00 0.00 C ATOM 1909 O HIS A 115 12.565 11.507 2.991 1.00 0.00 O ATOM 1910 CB HIS A 115 13.778 8.870 3.656 1.00 0.00 C ATOM 1911 CG HIS A 115 13.923 8.308 2.269 1.00 0.00 C ATOM 1912 ND1 HIS A 115 14.900 7.405 1.919 1.00 0.00 N ATOM 1913 CD2 HIS A 115 13.202 8.527 1.143 1.00 0.00 C ATOM 1914 CE1 HIS A 115 14.778 7.098 0.641 1.00 0.00 C ATOM 1915 NE2 HIS A 115 13.754 7.764 0.144 1.00 0.00 N ATOM 0 H HIS A 115 13.334 10.581 5.607 1.00 0.00 H new ATOM 0 HA HIS A 115 15.476 10.175 3.605 1.00 0.00 H new ATOM 0 HB2 HIS A 115 14.227 8.176 4.366 1.00 0.00 H new ATOM 0 HB3 HIS A 115 12.718 8.934 3.901 1.00 0.00 H new ATOM 0 HD1 HIS A 115 15.609 7.031 2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.349 9.182 1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.411 6.415 0.094 1.00 0.00 H new ATOM 1924 N HIS A 116 14.572 11.873 2.051 1.00 0.00 N ATOM 1925 CA HIS A 116 14.077 12.881 1.123 1.00 0.00 C ATOM 1926 C HIS A 116 13.329 12.211 -0.020 1.00 0.00 C ATOM 1927 O HIS A 116 13.603 11.056 -0.346 1.00 0.00 O ATOM 1928 CB HIS A 116 15.228 13.728 0.567 1.00 0.00 C ATOM 1929 CG HIS A 116 15.965 14.513 1.610 1.00 0.00 C ATOM 1930 ND1 HIS A 116 17.299 14.315 1.893 1.00 0.00 N ATOM 1931 CD2 HIS A 116 15.551 15.507 2.431 1.00 0.00 C ATOM 1932 CE1 HIS A 116 17.673 15.151 2.846 1.00 0.00 C ATOM 1933 NE2 HIS A 116 16.631 15.884 3.188 1.00 0.00 N ATOM 0 H HIS A 116 15.570 11.680 1.971 1.00 0.00 H new ATOM 0 HA HIS A 116 13.397 13.539 1.664 1.00 0.00 H new ATOM 0 HB2 HIS A 116 15.933 13.073 0.054 1.00 0.00 H new ATOM 0 HB3 HIS A 116 14.832 14.417 -0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 116 14.556 15.925 2.481 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.663 15.222 3.272 1.00 0.00 H new ATOM 0 HE2 HIS A 116 16.629 16.614 3.901 1.00 0.00 H new ATOM 1942 N HIS A 117 12.383 12.933 -0.611 1.00 0.00 N ATOM 1943 CA HIS A 117 11.593 12.406 -1.719 1.00 0.00 C ATOM 1944 C HIS A 117 12.512 11.909 -2.830 1.00 0.00 C ATOM 1945 O HIS A 117 12.537 10.715 -3.134 1.00 0.00 O ATOM 1946 CB HIS A 117 10.645 13.483 -2.262 1.00 0.00 C ATOM 1947 CG HIS A 117 9.591 12.956 -3.192 1.00 0.00 C ATOM 1948 ND1 HIS A 117 8.242 13.086 -2.945 1.00 0.00 N ATOM 1949 CD2 HIS A 117 9.688 12.298 -4.373 1.00 0.00 C ATOM 1950 CE1 HIS A 117 7.559 12.529 -3.926 1.00 0.00 C ATOM 1951 NE2 HIS A 117 8.411 12.044 -4.806 1.00 0.00 N ATOM 0 H HIS A 117 12.144 13.887 -0.341 1.00 0.00 H new ATOM 0 HA HIS A 117 10.997 11.570 -1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 117 10.159 13.981 -1.423 1.00 0.00 H new ATOM 0 HB3 HIS A 117 11.231 14.239 -2.785 1.00 0.00 H new ATOM 0 HD2 HIS A 117 10.602 12.024 -4.880 1.00 0.00 H new ATOM 0 HE1 HIS A 117 6.482 12.479 -3.996 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.162 11.559 -5.668 1.00 0.00 H new ATOM 1960 N HIS A 118 13.264 12.838 -3.411 1.00 0.00 N ATOM 1961 CA HIS A 118 14.222 12.542 -4.470 1.00 0.00 C ATOM 1962 C HIS A 118 14.770 13.851 -5.024 1.00 0.00 C ATOM 1963 O HIS A 118 14.302 14.288 -6.096 1.00 0.00 O ATOM 1964 CB HIS A 118 13.573 11.722 -5.595 1.00 0.00 C ATOM 1965 CG HIS A 118 14.547 11.218 -6.616 1.00 0.00 C ATOM 1966 ND1 HIS A 118 15.485 10.244 -6.347 1.00 0.00 N ATOM 1967 CD2 HIS A 118 14.720 11.553 -7.915 1.00 0.00 C ATOM 1968 CE1 HIS A 118 16.190 10.003 -7.436 1.00 0.00 C ATOM 1969 NE2 HIS A 118 15.743 10.781 -8.402 1.00 0.00 N ATOM 1970 OXT HIS A 118 15.625 14.464 -4.357 1.00 0.00 O ATOM 0 H HIS A 118 13.225 13.825 -3.158 1.00 0.00 H new ATOM 0 HA HIS A 118 15.034 11.946 -4.053 1.00 0.00 H new ATOM 0 HB2 HIS A 118 13.049 10.873 -5.157 1.00 0.00 H new ATOM 0 HB3 HIS A 118 12.824 12.337 -6.094 1.00 0.00 H new ATOM 0 HD2 HIS A 118 14.157 12.292 -8.466 1.00 0.00 H new ATOM 0 HE1 HIS A 118 16.996 9.290 -7.522 1.00 0.00 H new ATOM 0 HE2 HIS A 118 16.100 10.805 -9.357 1.00 0.00 H new TER 1979 HIS A 118