USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 801 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 87 ASN : amide:sc= -1.09 K(o=-2.3,f=-1.3) USER MOD Set 1.2: A 90 GLN : amide:sc= -1.22 X(o=-2.3,f=-2.6!) USER MOD Set 2.1: A 72 TYR OH : rot 110:sc= -0.471 USER MOD Set 2.2: A 80 GLN : amide:sc= -2.14 K(o=-3.4,f=-4.5!) USER MOD Set 2.3: A 84 GLN : amide:sc= -0.756 K(o=-3.4,f=-2.5) USER MOD Set 3.1: A 57 ASN : amide:sc= -0.787 K(o=-2.2,f=-1!) USER MOD Set 3.2: A 59 ASN : amide:sc= -1.45 K(o=-2.2,f=-0.66) USER MOD Set 4.1: A 46 GLN : amide:sc= -0.247 K(o=-0.19,f=-10!) USER MOD Set 4.2: A 48 LYS NZ :NH3+ -152:sc= 0.0543 (180deg=0) USER MOD Set 5.1: A 26 CYS SG : rot 174:sc= -1.86! USER MOD Set 5.2: A 28 HIS : no HD1:sc= -0.701 K(o=-2.4,f=-3.1) USER MOD Set 5.3: A 53 TYR OH : rot 19:sc= 0.167 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -52:sc= 0.242 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.25 K(o=-1.3,f=-4.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0243) USER MOD Single : A 19 GLN : amide:sc= -0.0024 X(o=-0.0024,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= -0.388 (180deg=-1.28) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.282 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 0.156 (180deg=0.0835) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -25:sc= -0.861 USER MOD Single : A 52 HIS : no HE2:sc= -0.112 X(o=-0.11,f=-0.21) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= 1.76 (180deg=1.52) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -5.72! C(o=-5.7!,f=-4.2!) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 125:sc= 1.16 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.979 9.370 -9.836 1.00 0.00 N ATOM 2 CA GLY A 1 29.110 10.530 -9.775 1.00 0.00 C ATOM 3 C GLY A 1 29.450 11.449 -8.619 1.00 0.00 C ATOM 4 O GLY A 1 29.976 12.544 -8.821 1.00 0.00 O ATOM 0 H1 GLY A 1 29.706 8.774 -10.643 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.965 9.680 -9.953 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.890 8.823 -8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.184 11.085 -10.710 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.075 10.200 -9.681 1.00 0.00 H new ATOM 8 N SER A 2 29.147 11.005 -7.403 1.00 0.00 N ATOM 9 CA SER A 2 29.420 11.799 -6.210 1.00 0.00 C ATOM 10 C SER A 2 29.084 13.268 -6.446 1.00 0.00 C ATOM 11 O SER A 2 29.830 14.159 -6.041 1.00 0.00 O ATOM 12 CB SER A 2 30.888 11.658 -5.802 1.00 0.00 C ATOM 13 OG SER A 2 31.109 12.181 -4.504 1.00 0.00 O ATOM 0 H SER A 2 28.713 10.101 -7.218 1.00 0.00 H new ATOM 0 HA SER A 2 28.789 11.426 -5.403 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.177 10.607 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.520 12.180 -6.520 1.00 0.00 H new ATOM 0 HG SER A 2 30.752 13.092 -4.453 1.00 0.00 H new ATOM 19 N SER A 3 27.956 13.512 -7.105 1.00 0.00 N ATOM 20 CA SER A 3 27.522 14.873 -7.400 1.00 0.00 C ATOM 21 C SER A 3 27.389 15.690 -6.118 1.00 0.00 C ATOM 22 O SER A 3 27.901 16.805 -6.024 1.00 0.00 O ATOM 23 CB SER A 3 26.187 14.854 -8.147 1.00 0.00 C ATOM 24 OG SER A 3 25.742 16.170 -8.429 1.00 0.00 O ATOM 0 H SER A 3 27.326 12.785 -7.445 1.00 0.00 H new ATOM 0 HA SER A 3 28.277 15.341 -8.032 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.295 14.296 -9.077 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.439 14.334 -7.548 1.00 0.00 H new ATOM 0 HG SER A 3 24.888 16.131 -8.908 1.00 0.00 H new ATOM 30 N GLY A 4 26.696 15.126 -5.133 1.00 0.00 N ATOM 31 CA GLY A 4 26.508 15.816 -3.870 1.00 0.00 C ATOM 32 C GLY A 4 25.740 17.113 -4.027 1.00 0.00 C ATOM 33 O GLY A 4 25.716 17.701 -5.108 1.00 0.00 O ATOM 0 H GLY A 4 26.262 14.205 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.975 15.163 -3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.481 16.025 -3.425 1.00 0.00 H new ATOM 37 N SER A 5 25.111 17.561 -2.945 1.00 0.00 N ATOM 38 CA SER A 5 24.334 18.795 -2.969 1.00 0.00 C ATOM 39 C SER A 5 24.105 19.320 -1.555 1.00 0.00 C ATOM 40 O SER A 5 24.064 18.551 -0.595 1.00 0.00 O ATOM 41 CB SER A 5 22.991 18.564 -3.663 1.00 0.00 C ATOM 42 OG SER A 5 22.210 19.747 -3.671 1.00 0.00 O ATOM 0 H SER A 5 25.124 17.088 -2.041 1.00 0.00 H new ATOM 0 HA SER A 5 24.900 19.541 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.160 18.229 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.447 17.769 -3.153 1.00 0.00 H new ATOM 0 HG SER A 5 21.357 19.573 -4.122 1.00 0.00 H new ATOM 48 N SER A 6 23.956 20.636 -1.436 1.00 0.00 N ATOM 49 CA SER A 6 23.735 21.265 -0.139 1.00 0.00 C ATOM 50 C SER A 6 22.243 21.389 0.157 1.00 0.00 C ATOM 51 O SER A 6 21.765 20.939 1.197 1.00 0.00 O ATOM 52 CB SER A 6 24.390 22.647 -0.101 1.00 0.00 C ATOM 53 OG SER A 6 24.220 23.257 1.166 1.00 0.00 O ATOM 0 H SER A 6 23.984 21.286 -2.221 1.00 0.00 H new ATOM 0 HA SER A 6 24.189 20.634 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.453 22.555 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.955 23.280 -0.874 1.00 0.00 H new ATOM 0 HG SER A 6 24.649 24.138 1.165 1.00 0.00 H new ATOM 59 N GLY A 7 21.512 22.006 -0.767 1.00 0.00 N ATOM 60 CA GLY A 7 20.082 22.179 -0.588 1.00 0.00 C ATOM 61 C GLY A 7 19.711 23.607 -0.239 1.00 0.00 C ATOM 62 O GLY A 7 19.204 24.347 -1.082 1.00 0.00 O ATOM 0 H GLY A 7 21.885 22.389 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.566 21.886 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.734 21.513 0.202 1.00 0.00 H new ATOM 66 N MET A 8 19.961 23.995 1.007 1.00 0.00 N ATOM 67 CA MET A 8 19.649 25.344 1.465 1.00 0.00 C ATOM 68 C MET A 8 18.200 25.702 1.151 1.00 0.00 C ATOM 69 O MET A 8 17.919 26.770 0.607 1.00 0.00 O ATOM 70 CB MET A 8 20.591 26.357 0.812 1.00 0.00 C ATOM 71 CG MET A 8 22.041 26.203 1.240 1.00 0.00 C ATOM 72 SD MET A 8 22.379 26.966 2.838 1.00 0.00 S ATOM 73 CE MET A 8 24.005 27.659 2.546 1.00 0.00 C ATOM 0 H MET A 8 20.379 23.394 1.718 1.00 0.00 H new ATOM 0 HA MET A 8 19.786 25.376 2.546 1.00 0.00 H new ATOM 0 HB2 MET A 8 20.528 26.254 -0.271 1.00 0.00 H new ATOM 0 HB3 MET A 8 20.254 27.364 1.056 1.00 0.00 H new ATOM 0 HG2 MET A 8 22.291 25.143 1.288 1.00 0.00 H new ATOM 0 HG3 MET A 8 22.688 26.649 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 8 24.352 28.166 3.447 1.00 0.00 H new ATOM 0 HE2 MET A 8 24.700 26.860 2.289 1.00 0.00 H new ATOM 0 HE3 MET A 8 23.954 28.373 1.724 1.00 0.00 H new ATOM 83 N ALA A 9 17.284 24.803 1.496 1.00 0.00 N ATOM 84 CA ALA A 9 15.865 25.027 1.252 1.00 0.00 C ATOM 85 C ALA A 9 15.149 25.453 2.530 1.00 0.00 C ATOM 86 O ALA A 9 15.472 25.005 3.630 1.00 0.00 O ATOM 87 CB ALA A 9 15.224 23.771 0.680 1.00 0.00 C ATOM 0 H ALA A 9 17.500 23.913 1.945 1.00 0.00 H new ATOM 0 HA ALA A 9 15.769 25.834 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.164 23.952 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.710 23.510 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.338 22.950 1.387 1.00 0.00 H new ATOM 93 N PRO A 10 14.153 26.340 2.383 1.00 0.00 N ATOM 94 CA PRO A 10 13.371 26.846 3.515 1.00 0.00 C ATOM 95 C PRO A 10 12.463 25.779 4.116 1.00 0.00 C ATOM 96 O PRO A 10 12.462 24.629 3.675 1.00 0.00 O ATOM 97 CB PRO A 10 12.538 27.971 2.895 1.00 0.00 C ATOM 98 CG PRO A 10 12.428 27.610 1.454 1.00 0.00 C ATOM 99 CD PRO A 10 13.714 26.916 1.101 1.00 0.00 C ATOM 0 HA PRO A 10 14.008 27.172 4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.556 28.040 3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.021 28.939 3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.572 26.958 1.279 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.283 28.498 0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.561 26.145 0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.450 27.613 0.700 1.00 0.00 H new ATOM 107 N LYS A 11 11.690 26.166 5.125 1.00 0.00 N ATOM 108 CA LYS A 11 10.775 25.243 5.786 1.00 0.00 C ATOM 109 C LYS A 11 9.478 25.104 4.996 1.00 0.00 C ATOM 110 O LYS A 11 8.573 25.928 5.123 1.00 0.00 O ATOM 111 CB LYS A 11 10.471 25.725 7.206 1.00 0.00 C ATOM 112 CG LYS A 11 11.628 25.538 8.173 1.00 0.00 C ATOM 113 CD LYS A 11 11.159 25.567 9.617 1.00 0.00 C ATOM 114 CE LYS A 11 12.244 26.090 10.546 1.00 0.00 C ATOM 115 NZ LYS A 11 13.400 25.154 10.631 1.00 0.00 N ATOM 0 H LYS A 11 11.679 27.113 5.503 1.00 0.00 H new ATOM 0 HA LYS A 11 11.256 24.266 5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.203 26.781 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.602 25.188 7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.123 24.589 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.367 26.323 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.273 26.197 9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.867 24.563 9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.589 27.061 10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.827 26.244 11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.118 25.546 11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.076 24.235 10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.814 25.027 9.686 1.00 0.00 H new ATOM 129 N GLN A 12 9.395 24.056 4.183 1.00 0.00 N ATOM 130 CA GLN A 12 8.207 23.810 3.374 1.00 0.00 C ATOM 131 C GLN A 12 7.652 22.413 3.632 1.00 0.00 C ATOM 132 O GLN A 12 8.224 21.640 4.400 1.00 0.00 O ATOM 133 CB GLN A 12 8.532 23.977 1.888 1.00 0.00 C ATOM 134 CG GLN A 12 8.460 25.417 1.408 1.00 0.00 C ATOM 135 CD GLN A 12 9.066 25.603 0.030 1.00 0.00 C ATOM 136 OE1 GLN A 12 10.258 25.880 -0.104 1.00 0.00 O ATOM 137 NE2 GLN A 12 8.246 25.452 -1.003 1.00 0.00 N ATOM 0 H GLN A 12 10.135 23.364 4.067 1.00 0.00 H new ATOM 0 HA GLN A 12 7.448 24.540 3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.533 23.589 1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.839 23.373 1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.419 25.738 1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.979 26.060 2.119 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.265 25.222 -0.846 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.597 25.566 -1.954 1.00 0.00 H new ATOM 146 N ASP A 13 6.536 22.096 2.985 1.00 0.00 N ATOM 147 CA ASP A 13 5.905 20.792 3.143 1.00 0.00 C ATOM 148 C ASP A 13 6.948 19.679 3.138 1.00 0.00 C ATOM 149 O ASP A 13 8.027 19.808 2.559 1.00 0.00 O ATOM 150 CB ASP A 13 4.884 20.556 2.029 1.00 0.00 C ATOM 151 CG ASP A 13 3.528 21.152 2.350 1.00 0.00 C ATOM 152 OD1 ASP A 13 3.194 21.257 3.549 1.00 0.00 O ATOM 153 OD2 ASP A 13 2.800 21.514 1.403 1.00 0.00 O ATOM 0 H ASP A 13 6.050 22.725 2.346 1.00 0.00 H new ATOM 0 HA ASP A 13 5.391 20.780 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.257 20.989 1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.776 19.485 1.860 1.00 0.00 H new ATOM 158 N PRO A 14 6.621 18.558 3.799 1.00 0.00 N ATOM 159 CA PRO A 14 7.517 17.401 3.886 1.00 0.00 C ATOM 160 C PRO A 14 7.670 16.684 2.549 1.00 0.00 C ATOM 161 O PRO A 14 6.912 16.931 1.610 1.00 0.00 O ATOM 162 CB PRO A 14 6.824 16.491 4.904 1.00 0.00 C ATOM 163 CG PRO A 14 5.383 16.864 4.825 1.00 0.00 C ATOM 164 CD PRO A 14 5.352 18.334 4.512 1.00 0.00 C ATOM 0 HA PRO A 14 8.529 17.690 4.171 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.975 15.439 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.219 16.647 5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.873 16.290 4.052 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.874 16.655 5.766 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.493 18.595 3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.288 18.937 5.418 1.00 0.00 H new ATOM 172 N LYS A 15 8.653 15.795 2.468 1.00 0.00 N ATOM 173 CA LYS A 15 8.905 15.040 1.246 1.00 0.00 C ATOM 174 C LYS A 15 8.682 13.548 1.472 1.00 0.00 C ATOM 175 O LYS A 15 9.009 13.000 2.525 1.00 0.00 O ATOM 176 CB LYS A 15 10.335 15.284 0.757 1.00 0.00 C ATOM 177 CG LYS A 15 10.459 16.460 -0.196 1.00 0.00 C ATOM 178 CD LYS A 15 11.910 16.861 -0.402 1.00 0.00 C ATOM 179 CE LYS A 15 12.029 18.305 -0.867 1.00 0.00 C ATOM 180 NZ LYS A 15 11.655 18.458 -2.300 1.00 0.00 N ATOM 0 H LYS A 15 9.290 15.579 3.235 1.00 0.00 H new ATOM 0 HA LYS A 15 8.203 15.383 0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.980 15.456 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.699 14.385 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.013 16.200 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.898 17.308 0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.460 16.731 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.370 16.202 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.387 18.938 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.052 18.651 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.749 19.456 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.284 17.874 -2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.670 18.152 -2.436 1.00 0.00 H new ATOM 194 N PRO A 16 8.114 12.874 0.462 1.00 0.00 N ATOM 195 CA PRO A 16 7.836 11.436 0.526 1.00 0.00 C ATOM 196 C PRO A 16 9.110 10.598 0.498 1.00 0.00 C ATOM 197 O PRO A 16 10.124 11.009 -0.067 1.00 0.00 O ATOM 198 CB PRO A 16 7.000 11.180 -0.730 1.00 0.00 C ATOM 199 CG PRO A 16 7.391 12.263 -1.674 1.00 0.00 C ATOM 200 CD PRO A 16 7.698 13.464 -0.822 1.00 0.00 C ATOM 0 HA PRO A 16 7.334 11.159 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.207 10.196 -1.149 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.933 11.214 -0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.259 11.971 -2.265 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.586 12.478 -2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.488 14.075 -1.258 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.826 14.107 -0.705 1.00 0.00 H new ATOM 208 N LYS A 17 9.052 9.421 1.111 1.00 0.00 N ATOM 209 CA LYS A 17 10.200 8.523 1.155 1.00 0.00 C ATOM 210 C LYS A 17 10.147 7.516 0.012 1.00 0.00 C ATOM 211 O LYS A 17 11.150 7.267 -0.657 1.00 0.00 O ATOM 212 CB LYS A 17 10.246 7.787 2.496 1.00 0.00 C ATOM 213 CG LYS A 17 10.519 8.698 3.681 1.00 0.00 C ATOM 214 CD LYS A 17 10.627 7.910 4.976 1.00 0.00 C ATOM 215 CE LYS A 17 11.554 8.595 5.969 1.00 0.00 C ATOM 216 NZ LYS A 17 11.059 9.948 6.348 1.00 0.00 N ATOM 0 H LYS A 17 8.221 9.066 1.585 1.00 0.00 H new ATOM 0 HA LYS A 17 11.104 9.123 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.296 7.275 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.018 7.019 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.444 9.250 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.720 9.434 3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.637 7.797 5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.997 6.907 4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.647 7.979 6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.550 8.681 5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.651 10.333 7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.106 10.579 5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.074 9.878 6.675 1.00 0.00 H new ATOM 230 N PHE A 18 8.970 6.939 -0.209 1.00 0.00 N ATOM 231 CA PHE A 18 8.786 5.959 -1.273 1.00 0.00 C ATOM 232 C PHE A 18 8.602 6.648 -2.622 1.00 0.00 C ATOM 233 O PHE A 18 8.325 7.845 -2.685 1.00 0.00 O ATOM 234 CB PHE A 18 7.578 5.069 -0.972 1.00 0.00 C ATOM 235 CG PHE A 18 7.603 4.470 0.405 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.102 5.173 1.489 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.126 3.205 0.616 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.124 4.625 2.758 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.151 2.651 1.882 1.00 0.00 C ATOM 240 CZ PHE A 18 7.648 3.362 2.954 1.00 0.00 C ATOM 0 H PHE A 18 8.129 7.133 0.335 1.00 0.00 H new ATOM 0 HA PHE A 18 9.682 5.340 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.667 5.656 -1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.536 4.266 -1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.690 6.160 1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.519 2.644 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.732 5.184 3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.563 1.664 2.033 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.664 2.931 3.944 1.00 0.00 H new ATOM 250 N GLN A 19 8.758 5.882 -3.697 1.00 0.00 N ATOM 251 CA GLN A 19 8.610 6.419 -5.044 1.00 0.00 C ATOM 252 C GLN A 19 7.567 5.633 -5.832 1.00 0.00 C ATOM 253 O GLN A 19 7.284 4.476 -5.521 1.00 0.00 O ATOM 254 CB GLN A 19 9.951 6.388 -5.779 1.00 0.00 C ATOM 255 CG GLN A 19 10.318 5.015 -6.317 1.00 0.00 C ATOM 256 CD GLN A 19 11.735 4.958 -6.853 1.00 0.00 C ATOM 257 OE1 GLN A 19 11.952 4.767 -8.050 1.00 0.00 O ATOM 258 NE2 GLN A 19 12.711 5.125 -5.967 1.00 0.00 N ATOM 0 H GLN A 19 8.987 4.889 -3.661 1.00 0.00 H new ATOM 0 HA GLN A 19 8.273 7.452 -4.960 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.919 7.097 -6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.735 6.725 -5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.203 4.276 -5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.622 4.742 -7.110 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.487 5.281 -4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.685 5.097 -6.270 1.00 0.00 H new ATOM 267 N GLU A 20 7.000 6.268 -6.852 1.00 0.00 N ATOM 268 CA GLU A 20 5.987 5.627 -7.683 1.00 0.00 C ATOM 269 C GLU A 20 6.591 4.482 -8.490 1.00 0.00 C ATOM 270 O GLU A 20 7.712 4.582 -8.988 1.00 0.00 O ATOM 271 CB GLU A 20 5.348 6.649 -8.627 1.00 0.00 C ATOM 272 CG GLU A 20 4.491 7.682 -7.915 1.00 0.00 C ATOM 273 CD GLU A 20 5.280 8.910 -7.503 1.00 0.00 C ATOM 274 OE1 GLU A 20 6.514 8.798 -7.350 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.663 9.983 -7.335 1.00 0.00 O ATOM 0 H GLU A 20 7.224 7.225 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 20 5.219 5.220 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.135 7.161 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.735 6.122 -9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.673 7.983 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.042 7.229 -7.031 1.00 0.00 H new ATOM 282 N GLY A 21 5.840 3.392 -8.614 1.00 0.00 N ATOM 283 CA GLY A 21 6.317 2.242 -9.360 1.00 0.00 C ATOM 284 C GLY A 21 7.068 1.256 -8.487 1.00 0.00 C ATOM 285 O GLY A 21 7.120 0.065 -8.791 1.00 0.00 O ATOM 0 H GLY A 21 4.909 3.285 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.470 1.738 -9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.969 2.580 -10.165 1.00 0.00 H new ATOM 289 N GLU A 22 7.651 1.753 -7.401 1.00 0.00 N ATOM 290 CA GLU A 22 8.404 0.906 -6.484 1.00 0.00 C ATOM 291 C GLU A 22 7.466 0.045 -5.643 1.00 0.00 C ATOM 292 O GLU A 22 6.444 0.523 -5.150 1.00 0.00 O ATOM 293 CB GLU A 22 9.285 1.762 -5.571 1.00 0.00 C ATOM 294 CG GLU A 22 10.251 0.952 -4.724 1.00 0.00 C ATOM 295 CD GLU A 22 11.370 0.337 -5.542 1.00 0.00 C ATOM 296 OE1 GLU A 22 12.168 1.102 -6.124 1.00 0.00 O ATOM 297 OE2 GLU A 22 11.449 -0.908 -5.600 1.00 0.00 O ATOM 0 H GLU A 22 7.616 2.737 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 22 9.039 0.248 -7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.852 2.465 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.647 2.353 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.679 1.594 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.704 0.161 -4.211 1.00 0.00 H new ATOM 304 N ARG A 23 7.821 -1.225 -5.484 1.00 0.00 N ATOM 305 CA ARG A 23 7.011 -2.154 -4.705 1.00 0.00 C ATOM 306 C ARG A 23 6.966 -1.737 -3.238 1.00 0.00 C ATOM 307 O ARG A 23 7.935 -1.195 -2.706 1.00 0.00 O ATOM 308 CB ARG A 23 7.565 -3.574 -4.826 1.00 0.00 C ATOM 309 CG ARG A 23 6.779 -4.605 -4.032 1.00 0.00 C ATOM 310 CD ARG A 23 5.481 -4.975 -4.731 1.00 0.00 C ATOM 311 NE ARG A 23 5.717 -5.697 -5.979 1.00 0.00 N ATOM 312 CZ ARG A 23 6.022 -6.988 -6.034 1.00 0.00 C ATOM 313 NH1 ARG A 23 6.126 -7.697 -4.918 1.00 0.00 N ATOM 314 NH2 ARG A 23 6.223 -7.574 -7.207 1.00 0.00 N ATOM 0 H ARG A 23 8.665 -1.635 -5.884 1.00 0.00 H new ATOM 0 HA ARG A 23 5.996 -2.133 -5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.571 -3.864 -5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.601 -3.581 -4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.386 -5.499 -3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.560 -4.211 -3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.874 -5.589 -4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.910 -4.070 -4.938 1.00 0.00 H new ATOM 0 HE ARG A 23 5.643 -5.181 -6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.971 -7.251 -4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.360 -8.689 -4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.143 -7.033 -8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.457 -8.566 -7.248 1.00 0.00 H new ATOM 328 N VAL A 24 5.834 -1.993 -2.589 1.00 0.00 N ATOM 329 CA VAL A 24 5.663 -1.645 -1.184 1.00 0.00 C ATOM 330 C VAL A 24 4.511 -2.426 -0.561 1.00 0.00 C ATOM 331 O VAL A 24 3.641 -2.938 -1.266 1.00 0.00 O ATOM 332 CB VAL A 24 5.403 -0.138 -1.006 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.600 0.671 -1.482 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.141 0.276 -1.749 1.00 0.00 C ATOM 0 H VAL A 24 5.022 -2.440 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 24 6.592 -1.907 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 24 5.257 0.064 0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.397 1.734 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.480 0.394 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.781 0.466 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.972 1.344 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.257 0.060 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.289 -0.279 -1.356 1.00 0.00 H new ATOM 344 N LEU A 25 4.510 -2.512 0.765 1.00 0.00 N ATOM 345 CA LEU A 25 3.464 -3.230 1.484 1.00 0.00 C ATOM 346 C LEU A 25 2.521 -2.258 2.186 1.00 0.00 C ATOM 347 O LEU A 25 2.961 -1.360 2.906 1.00 0.00 O ATOM 348 CB LEU A 25 4.083 -4.185 2.506 1.00 0.00 C ATOM 349 CG LEU A 25 4.843 -5.381 1.932 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.627 -6.090 3.025 1.00 0.00 C ATOM 351 CD2 LEU A 25 3.882 -6.346 1.251 1.00 0.00 C ATOM 0 H LEU A 25 5.222 -2.093 1.364 1.00 0.00 H new ATOM 0 HA LEU A 25 2.889 -3.806 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.765 -3.616 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.288 -4.560 3.151 1.00 0.00 H new ATOM 0 HG LEU A 25 5.549 -5.015 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.161 -6.938 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.342 -5.397 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.940 -6.444 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.440 -7.191 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.152 -6.705 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.365 -5.833 0.440 1.00 0.00 H new ATOM 363 N CYS A 26 1.223 -2.444 1.974 1.00 0.00 N ATOM 364 CA CYS A 26 0.217 -1.584 2.588 1.00 0.00 C ATOM 365 C CYS A 26 -0.482 -2.301 3.738 1.00 0.00 C ATOM 366 O CYS A 26 -0.669 -3.518 3.704 1.00 0.00 O ATOM 367 CB CYS A 26 -0.812 -1.143 1.545 1.00 0.00 C ATOM 368 SG CYS A 26 -2.360 -0.530 2.249 1.00 0.00 S ATOM 0 H CYS A 26 0.842 -3.182 1.382 1.00 0.00 H new ATOM 0 HA CYS A 26 0.721 -0.703 2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.373 -0.362 0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.032 -1.985 0.889 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.114 -0.062 1.299 1.00 0.00 H new ATOM 374 N PHE A 27 -0.866 -1.539 4.757 1.00 0.00 N ATOM 375 CA PHE A 27 -1.543 -2.102 5.920 1.00 0.00 C ATOM 376 C PHE A 27 -3.055 -1.941 5.800 1.00 0.00 C ATOM 377 O PHE A 27 -3.597 -0.863 6.044 1.00 0.00 O ATOM 378 CB PHE A 27 -1.047 -1.428 7.201 1.00 0.00 C ATOM 379 CG PHE A 27 0.141 -2.111 7.816 1.00 0.00 C ATOM 380 CD1 PHE A 27 0.001 -3.333 8.454 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.398 -1.531 7.758 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.092 -3.965 9.021 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.493 -2.158 8.323 1.00 0.00 C ATOM 384 CZ PHE A 27 2.339 -3.376 8.956 1.00 0.00 C ATOM 0 H PHE A 27 -0.720 -0.530 4.801 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.311 -3.166 5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.787 -0.393 6.980 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.859 -1.405 7.928 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.972 -3.797 8.509 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.524 -0.578 7.266 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.969 -4.918 9.514 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.468 -1.696 8.269 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.193 -3.867 9.399 1.00 0.00 H new ATOM 394 N HIS A 28 -3.731 -3.021 5.422 1.00 0.00 N ATOM 395 CA HIS A 28 -5.182 -3.001 5.269 1.00 0.00 C ATOM 396 C HIS A 28 -5.856 -3.816 6.368 1.00 0.00 C ATOM 397 O HIS A 28 -6.852 -4.496 6.129 1.00 0.00 O ATOM 398 CB HIS A 28 -5.579 -3.546 3.897 1.00 0.00 C ATOM 399 CG HIS A 28 -7.049 -3.459 3.620 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.772 -2.293 3.755 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.930 -4.402 3.213 1.00 0.00 C ATOM 402 CE1 HIS A 28 -9.035 -2.523 3.444 1.00 0.00 C ATOM 403 NE2 HIS A 28 -9.157 -3.795 3.111 1.00 0.00 N ATOM 0 H HIS A 28 -3.298 -3.921 5.216 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.517 -1.967 5.351 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -5.039 -2.995 3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.265 -4.587 3.824 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.709 -5.439 3.007 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.832 -1.795 3.459 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.023 -4.252 2.824 1.00 0.00 H new ATOM 412 N GLY A 29 -5.303 -3.743 7.576 1.00 0.00 N ATOM 413 CA GLY A 29 -5.863 -4.480 8.694 1.00 0.00 C ATOM 414 C GLY A 29 -4.823 -5.305 9.424 1.00 0.00 C ATOM 415 O GLY A 29 -3.628 -5.008 9.390 1.00 0.00 O ATOM 0 H GLY A 29 -4.478 -3.187 7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.323 -3.781 9.392 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.655 -5.136 8.332 1.00 0.00 H new ATOM 419 N PRO A 30 -5.276 -6.368 10.105 1.00 0.00 N ATOM 420 CA PRO A 30 -4.392 -7.260 10.861 1.00 0.00 C ATOM 421 C PRO A 30 -3.501 -8.099 9.952 1.00 0.00 C ATOM 422 O PRO A 30 -2.739 -8.946 10.421 1.00 0.00 O ATOM 423 CB PRO A 30 -5.365 -8.156 11.631 1.00 0.00 C ATOM 424 CG PRO A 30 -6.613 -8.145 10.817 1.00 0.00 C ATOM 425 CD PRO A 30 -6.687 -6.781 10.189 1.00 0.00 C ATOM 0 HA PRO A 30 -3.705 -6.706 11.501 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.972 -9.167 11.739 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.544 -7.774 12.636 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.589 -8.924 10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.487 -8.335 11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.155 -6.816 9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.273 -6.090 10.796 1.00 0.00 H new ATOM 433 N LEU A 31 -3.600 -7.860 8.649 1.00 0.00 N ATOM 434 CA LEU A 31 -2.802 -8.594 7.673 1.00 0.00 C ATOM 435 C LEU A 31 -2.230 -7.652 6.618 1.00 0.00 C ATOM 436 O LEU A 31 -2.809 -6.605 6.326 1.00 0.00 O ATOM 437 CB LEU A 31 -3.650 -9.676 7.001 1.00 0.00 C ATOM 438 CG LEU A 31 -4.047 -10.861 7.882 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.368 -11.453 7.416 1.00 0.00 C ATOM 440 CD2 LEU A 31 -2.954 -11.919 7.877 1.00 0.00 C ATOM 0 H LEU A 31 -4.225 -7.163 8.244 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.973 -9.066 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.559 -9.212 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.101 -10.057 6.140 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.173 -10.504 8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.635 -12.295 8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.147 -10.693 7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.270 -11.796 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.254 -12.755 8.509 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.795 -12.273 6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.029 -11.488 8.260 1.00 0.00 H new ATOM 452 N LEU A 32 -1.092 -8.033 6.048 1.00 0.00 N ATOM 453 CA LEU A 32 -0.442 -7.223 5.023 1.00 0.00 C ATOM 454 C LEU A 32 -0.716 -7.784 3.631 1.00 0.00 C ATOM 455 O LEU A 32 -0.777 -8.999 3.442 1.00 0.00 O ATOM 456 CB LEU A 32 1.066 -7.162 5.273 1.00 0.00 C ATOM 457 CG LEU A 32 1.549 -6.037 6.189 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.993 -6.272 6.606 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.403 -4.689 5.500 1.00 0.00 C ATOM 0 H LEU A 32 -0.601 -8.897 6.278 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.854 -6.215 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.382 -8.113 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.570 -7.062 4.312 1.00 0.00 H new ATOM 0 HG LEU A 32 0.930 -6.032 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.320 -5.462 7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.068 -7.219 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.627 -6.303 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.751 -3.900 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.997 -4.681 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.355 -4.518 5.253 1.00 0.00 H new ATOM 471 N TYR A 33 -0.878 -6.892 2.661 1.00 0.00 N ATOM 472 CA TYR A 33 -1.145 -7.298 1.286 1.00 0.00 C ATOM 473 C TYR A 33 -0.128 -6.684 0.329 1.00 0.00 C ATOM 474 O TYR A 33 0.403 -5.603 0.581 1.00 0.00 O ATOM 475 CB TYR A 33 -2.560 -6.887 0.877 1.00 0.00 C ATOM 476 CG TYR A 33 -3.637 -7.437 1.784 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.932 -6.824 2.996 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.361 -8.569 1.429 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.915 -7.323 3.828 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.346 -9.074 2.255 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.619 -8.449 3.454 1.00 0.00 C ATOM 482 OH TYR A 33 -6.600 -8.948 4.279 1.00 0.00 O ATOM 0 H TYR A 33 -0.829 -5.883 2.801 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.059 -8.383 1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.625 -5.799 0.868 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.747 -7.226 -0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.383 -5.942 3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.150 -9.062 0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.131 -6.834 4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.900 -9.954 1.964 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.000 -9.743 3.868 1.00 0.00 H new ATOM 492 N GLU A 34 0.138 -7.383 -0.770 1.00 0.00 N ATOM 493 CA GLU A 34 1.092 -6.907 -1.765 1.00 0.00 C ATOM 494 C GLU A 34 0.516 -5.734 -2.553 1.00 0.00 C ATOM 495 O GLU A 34 -0.630 -5.775 -2.999 1.00 0.00 O ATOM 496 CB GLU A 34 1.472 -8.040 -2.721 1.00 0.00 C ATOM 497 CG GLU A 34 2.732 -7.760 -3.524 1.00 0.00 C ATOM 498 CD GLU A 34 3.013 -8.831 -4.560 1.00 0.00 C ATOM 499 OE1 GLU A 34 3.542 -9.898 -4.182 1.00 0.00 O ATOM 500 OE2 GLU A 34 2.704 -8.604 -5.748 1.00 0.00 O ATOM 0 H GLU A 34 -0.293 -8.280 -0.994 1.00 0.00 H new ATOM 0 HA GLU A 34 1.986 -6.567 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.612 -8.956 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.645 -8.217 -3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.634 -6.795 -4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.582 -7.684 -2.845 1.00 0.00 H new ATOM 507 N ALA A 35 1.320 -4.689 -2.719 1.00 0.00 N ATOM 508 CA ALA A 35 0.892 -3.505 -3.453 1.00 0.00 C ATOM 509 C ALA A 35 2.091 -2.698 -3.940 1.00 0.00 C ATOM 510 O ALA A 35 3.238 -3.022 -3.632 1.00 0.00 O ATOM 511 CB ALA A 35 -0.009 -2.642 -2.584 1.00 0.00 C ATOM 0 H ALA A 35 2.271 -4.639 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 35 0.329 -3.834 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.321 -1.761 -3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.888 -3.215 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.535 -2.330 -1.693 1.00 0.00 H new ATOM 517 N LYS A 36 1.819 -1.645 -4.703 1.00 0.00 N ATOM 518 CA LYS A 36 2.875 -0.790 -5.233 1.00 0.00 C ATOM 519 C LYS A 36 2.455 0.676 -5.202 1.00 0.00 C ATOM 520 O LYS A 36 1.268 0.994 -5.292 1.00 0.00 O ATOM 521 CB LYS A 36 3.222 -1.201 -6.666 1.00 0.00 C ATOM 522 CG LYS A 36 4.192 -0.256 -7.352 1.00 0.00 C ATOM 523 CD LYS A 36 3.461 0.850 -8.096 1.00 0.00 C ATOM 524 CE LYS A 36 2.871 0.346 -9.404 1.00 0.00 C ATOM 525 NZ LYS A 36 3.792 -0.594 -10.102 1.00 0.00 N ATOM 0 H LYS A 36 0.875 -1.363 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 36 3.756 -0.911 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.651 -2.203 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.304 -1.255 -7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.860 0.183 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.814 -0.816 -8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.666 1.249 -7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.149 1.671 -8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.923 -0.154 -9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.655 1.193 -10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.533 -0.651 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.770 -0.251 -10.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.717 -1.538 -9.671 1.00 0.00 H new ATOM 539 N CYS A 37 3.434 1.565 -5.075 1.00 0.00 N ATOM 540 CA CYS A 37 3.166 2.998 -5.033 1.00 0.00 C ATOM 541 C CYS A 37 2.630 3.490 -6.373 1.00 0.00 C ATOM 542 O CYS A 37 3.352 3.517 -7.370 1.00 0.00 O ATOM 543 CB CYS A 37 4.436 3.765 -4.664 1.00 0.00 C ATOM 544 SG CYS A 37 4.137 5.446 -4.069 1.00 0.00 S ATOM 0 H CYS A 37 4.421 1.318 -4.999 1.00 0.00 H new ATOM 0 HA CYS A 37 2.408 3.179 -4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.973 3.209 -3.895 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.087 3.811 -5.537 1.00 0.00 H new ATOM 0 HG CYS A 37 5.271 6.013 -3.781 1.00 0.00 H new ATOM 550 N VAL A 38 1.358 3.878 -6.390 1.00 0.00 N ATOM 551 CA VAL A 38 0.725 4.369 -7.608 1.00 0.00 C ATOM 552 C VAL A 38 0.850 5.884 -7.720 1.00 0.00 C ATOM 553 O VAL A 38 1.051 6.424 -8.808 1.00 0.00 O ATOM 554 CB VAL A 38 -0.765 3.982 -7.661 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.335 4.242 -9.047 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.951 2.525 -7.264 1.00 0.00 C ATOM 0 H VAL A 38 0.746 3.862 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 38 1.244 3.902 -8.445 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.309 4.602 -6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.388 3.963 -9.065 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.236 5.300 -9.289 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.790 3.650 -9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.010 2.268 -7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.395 1.887 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.582 2.374 -6.249 1.00 0.00 H new ATOM 566 N LYS A 39 0.729 6.567 -6.586 1.00 0.00 N ATOM 567 CA LYS A 39 0.830 8.021 -6.555 1.00 0.00 C ATOM 568 C LYS A 39 1.333 8.502 -5.197 1.00 0.00 C ATOM 569 O LYS A 39 1.287 7.768 -4.211 1.00 0.00 O ATOM 570 CB LYS A 39 -0.530 8.654 -6.859 1.00 0.00 C ATOM 571 CG LYS A 39 -1.068 8.307 -8.237 1.00 0.00 C ATOM 572 CD LYS A 39 -2.527 8.704 -8.382 1.00 0.00 C ATOM 573 CE LYS A 39 -3.147 8.100 -9.633 1.00 0.00 C ATOM 574 NZ LYS A 39 -4.612 7.886 -9.478 1.00 0.00 N ATOM 0 H LYS A 39 0.561 6.136 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 39 1.546 8.327 -7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.248 8.331 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.444 9.737 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.475 8.814 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.962 7.236 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.083 8.376 -7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.607 9.790 -8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.964 8.758 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.663 7.149 -9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.039 7.718 -10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.780 7.061 -8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.042 8.729 -9.047 1.00 0.00 H new ATOM 588 N VAL A 40 1.813 9.741 -5.154 1.00 0.00 N ATOM 589 CA VAL A 40 2.323 10.321 -3.918 1.00 0.00 C ATOM 590 C VAL A 40 1.806 11.742 -3.723 1.00 0.00 C ATOM 591 O VAL A 40 2.265 12.676 -4.380 1.00 0.00 O ATOM 592 CB VAL A 40 3.863 10.340 -3.900 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.375 10.885 -2.575 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.416 8.947 -4.162 1.00 0.00 C ATOM 0 H VAL A 40 1.859 10.362 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 40 1.965 9.692 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 40 4.210 11.000 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.465 10.891 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.007 11.901 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.020 10.254 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.505 8.979 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.061 8.264 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.078 8.599 -5.138 1.00 0.00 H new ATOM 604 N ALA A 41 0.848 11.898 -2.815 1.00 0.00 N ATOM 605 CA ALA A 41 0.270 13.205 -2.532 1.00 0.00 C ATOM 606 C ALA A 41 0.587 13.649 -1.107 1.00 0.00 C ATOM 607 O ALA A 41 0.937 12.830 -0.257 1.00 0.00 O ATOM 608 CB ALA A 41 -1.235 13.177 -2.755 1.00 0.00 C ATOM 0 H ALA A 41 0.456 11.135 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 41 0.714 13.927 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.653 14.160 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.444 12.913 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.687 12.438 -2.094 1.00 0.00 H new ATOM 614 N ILE A 42 0.461 14.947 -0.855 1.00 0.00 N ATOM 615 CA ILE A 42 0.734 15.498 0.467 1.00 0.00 C ATOM 616 C ILE A 42 -0.327 16.516 0.868 1.00 0.00 C ATOM 617 O ILE A 42 -0.462 17.568 0.243 1.00 0.00 O ATOM 618 CB ILE A 42 2.120 16.168 0.522 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.219 15.140 0.249 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.333 16.832 1.874 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.544 15.759 -0.135 1.00 0.00 C ATOM 0 H ILE A 42 0.172 15.637 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 42 0.715 14.663 1.167 1.00 0.00 H new ATOM 0 HB ILE A 42 2.167 16.936 -0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.359 14.525 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.893 14.475 -0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.317 17.301 1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.566 17.590 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.270 16.082 2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.276 14.971 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.420 16.351 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.893 16.402 0.673 1.00 0.00 H new ATOM 633 N LYS A 43 -1.079 16.198 1.916 1.00 0.00 N ATOM 634 CA LYS A 43 -2.127 17.085 2.404 1.00 0.00 C ATOM 635 C LYS A 43 -2.351 16.891 3.901 1.00 0.00 C ATOM 636 O LYS A 43 -1.879 15.917 4.487 1.00 0.00 O ATOM 637 CB LYS A 43 -3.432 16.833 1.646 1.00 0.00 C ATOM 638 CG LYS A 43 -3.568 17.659 0.378 1.00 0.00 C ATOM 639 CD LYS A 43 -4.717 17.168 -0.486 1.00 0.00 C ATOM 640 CE LYS A 43 -5.074 18.179 -1.566 1.00 0.00 C ATOM 641 NZ LYS A 43 -4.092 18.165 -2.685 1.00 0.00 N ATOM 0 H LYS A 43 -0.982 15.331 2.444 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.807 18.113 2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.495 15.776 1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.273 17.052 2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.729 18.705 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.639 17.612 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.446 16.219 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.589 16.979 0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.069 17.960 -1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.114 19.177 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.370 18.867 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.147 18.398 -2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.072 17.220 -3.118 1.00 0.00 H new ATOM 655 N ASP A 44 -3.074 17.823 4.512 1.00 0.00 N ATOM 656 CA ASP A 44 -3.363 17.753 5.939 1.00 0.00 C ATOM 657 C ASP A 44 -2.087 17.514 6.741 1.00 0.00 C ATOM 658 O ASP A 44 -2.107 16.850 7.777 1.00 0.00 O ATOM 659 CB ASP A 44 -4.374 16.641 6.223 1.00 0.00 C ATOM 660 CG ASP A 44 -5.241 16.940 7.430 1.00 0.00 C ATOM 661 OD1 ASP A 44 -4.684 17.093 8.538 1.00 0.00 O ATOM 662 OD2 ASP A 44 -6.476 17.022 7.267 1.00 0.00 O ATOM 0 H ASP A 44 -3.471 18.636 4.041 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.790 18.708 6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.010 16.500 5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.842 15.703 6.385 1.00 0.00 H new ATOM 667 N LYS A 45 -0.978 18.059 6.253 1.00 0.00 N ATOM 668 CA LYS A 45 0.308 17.907 6.923 1.00 0.00 C ATOM 669 C LYS A 45 0.675 16.433 7.068 1.00 0.00 C ATOM 670 O LYS A 45 1.244 16.023 8.079 1.00 0.00 O ATOM 671 CB LYS A 45 0.272 18.572 8.300 1.00 0.00 C ATOM 672 CG LYS A 45 0.089 20.079 8.243 1.00 0.00 C ATOM 673 CD LYS A 45 -1.381 20.463 8.262 1.00 0.00 C ATOM 674 CE LYS A 45 -1.565 21.953 8.506 1.00 0.00 C ATOM 675 NZ LYS A 45 -2.993 22.306 8.739 1.00 0.00 N ATOM 0 H LYS A 45 -0.944 18.610 5.395 1.00 0.00 H new ATOM 0 HA LYS A 45 1.067 18.394 6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.540 18.138 8.883 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.199 18.347 8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.598 20.540 9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.556 20.469 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.842 20.189 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.895 19.900 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.971 22.256 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.189 22.510 7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.075 23.330 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.557 22.041 7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.346 21.794 9.573 1.00 0.00 H new ATOM 689 N GLN A 46 0.346 15.643 6.051 1.00 0.00 N ATOM 690 CA GLN A 46 0.642 14.216 6.066 1.00 0.00 C ATOM 691 C GLN A 46 0.883 13.694 4.654 1.00 0.00 C ATOM 692 O GLN A 46 0.121 13.989 3.733 1.00 0.00 O ATOM 693 CB GLN A 46 -0.505 13.443 6.719 1.00 0.00 C ATOM 694 CG GLN A 46 -1.564 12.978 5.733 1.00 0.00 C ATOM 695 CD GLN A 46 -2.832 12.506 6.417 1.00 0.00 C ATOM 696 OE1 GLN A 46 -3.933 12.942 6.078 1.00 0.00 O ATOM 697 NE2 GLN A 46 -2.684 11.610 7.386 1.00 0.00 N ATOM 0 H GLN A 46 -0.126 15.967 5.207 1.00 0.00 H new ATOM 0 HA GLN A 46 1.551 14.066 6.649 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.098 12.575 7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.975 14.075 7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.805 13.795 5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.160 12.167 5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.753 11.276 7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.502 11.256 7.882 1.00 0.00 H new ATOM 706 N VAL A 47 1.950 12.918 4.488 1.00 0.00 N ATOM 707 CA VAL A 47 2.291 12.355 3.188 1.00 0.00 C ATOM 708 C VAL A 47 1.557 11.041 2.948 1.00 0.00 C ATOM 709 O VAL A 47 1.645 10.112 3.751 1.00 0.00 O ATOM 710 CB VAL A 47 3.808 12.114 3.061 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.181 11.804 1.620 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.583 13.318 3.575 1.00 0.00 C ATOM 0 H VAL A 47 2.593 12.665 5.239 1.00 0.00 H new ATOM 0 HA VAL A 47 1.982 13.082 2.437 1.00 0.00 H new ATOM 0 HB VAL A 47 4.074 11.252 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.256 11.637 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.653 10.909 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.902 12.644 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.652 13.131 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.315 14.199 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.338 13.488 4.623 1.00 0.00 H new ATOM 722 N LYS A 48 0.832 10.968 1.837 1.00 0.00 N ATOM 723 CA LYS A 48 0.083 9.767 1.488 1.00 0.00 C ATOM 724 C LYS A 48 0.569 9.188 0.163 1.00 0.00 C ATOM 725 O LYS A 48 1.285 9.849 -0.589 1.00 0.00 O ATOM 726 CB LYS A 48 -1.412 10.081 1.402 1.00 0.00 C ATOM 727 CG LYS A 48 -2.096 10.161 2.756 1.00 0.00 C ATOM 728 CD LYS A 48 -3.566 9.787 2.662 1.00 0.00 C ATOM 729 CE LYS A 48 -4.296 10.062 3.967 1.00 0.00 C ATOM 730 NZ LYS A 48 -4.612 11.507 4.133 1.00 0.00 N ATOM 0 H LYS A 48 0.747 11.728 1.162 1.00 0.00 H new ATOM 0 HA LYS A 48 0.248 9.026 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.546 11.028 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.902 9.314 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.594 9.495 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.002 11.172 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.035 10.351 1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.658 8.731 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.219 9.483 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.683 9.726 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.656 11.739 5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.871 12.079 3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.530 11.715 3.690 1.00 0.00 H new ATOM 744 N TYR A 49 0.174 7.951 -0.116 1.00 0.00 N ATOM 745 CA TYR A 49 0.570 7.283 -1.350 1.00 0.00 C ATOM 746 C TYR A 49 -0.544 6.373 -1.859 1.00 0.00 C ATOM 747 O TYR A 49 -1.010 5.484 -1.146 1.00 0.00 O ATOM 748 CB TYR A 49 1.846 6.470 -1.128 1.00 0.00 C ATOM 749 CG TYR A 49 2.890 7.194 -0.308 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.642 7.550 1.012 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.126 7.520 -0.853 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.592 8.213 1.764 1.00 0.00 C ATOM 753 CE2 TYR A 49 5.083 8.181 -0.108 1.00 0.00 C ATOM 754 CZ TYR A 49 4.812 8.525 1.200 1.00 0.00 C ATOM 755 OH TYR A 49 5.762 9.184 1.946 1.00 0.00 O ATOM 0 H TYR A 49 -0.420 7.391 0.495 1.00 0.00 H new ATOM 0 HA TYR A 49 0.761 8.049 -2.102 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.589 5.535 -0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.273 6.209 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.690 7.304 1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.342 7.252 -1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.381 8.486 2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.038 8.427 -0.547 1.00 0.00 H new ATOM 0 HH TYR A 49 5.323 9.696 2.657 1.00 0.00 H new ATOM 765 N PHE A 50 -0.966 6.602 -3.098 1.00 0.00 N ATOM 766 CA PHE A 50 -2.025 5.804 -3.705 1.00 0.00 C ATOM 767 C PHE A 50 -1.560 4.369 -3.937 1.00 0.00 C ATOM 768 O PHE A 50 -0.807 4.094 -4.872 1.00 0.00 O ATOM 769 CB PHE A 50 -2.470 6.429 -5.029 1.00 0.00 C ATOM 770 CG PHE A 50 -3.660 5.750 -5.643 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.741 5.377 -4.860 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.699 5.484 -7.002 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.838 4.751 -5.423 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.792 4.859 -7.570 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.864 4.493 -6.779 1.00 0.00 C ATOM 0 H PHE A 50 -0.591 7.334 -3.702 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.871 5.786 -3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.707 7.480 -4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.639 6.396 -5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.726 5.577 -3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.864 5.769 -7.625 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.674 4.464 -4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.809 4.657 -8.631 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.721 4.006 -7.221 1.00 0.00 H new ATOM 785 N ILE A 51 -2.014 3.460 -3.081 1.00 0.00 N ATOM 786 CA ILE A 51 -1.645 2.055 -3.193 1.00 0.00 C ATOM 787 C ILE A 51 -2.538 1.330 -4.195 1.00 0.00 C ATOM 788 O ILE A 51 -3.692 1.708 -4.401 1.00 0.00 O ATOM 789 CB ILE A 51 -1.734 1.339 -1.832 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.808 2.011 -0.816 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.384 -0.134 -1.984 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.635 2.077 -1.266 1.00 0.00 C ATOM 0 H ILE A 51 -2.638 3.672 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.613 2.027 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.758 1.412 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.167 3.022 -0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.862 1.468 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.451 -0.626 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.081 -0.604 -2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.369 -0.229 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.234 2.565 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.011 1.067 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.701 2.646 -2.193 1.00 0.00 H new ATOM 804 N HIS A 52 -1.997 0.287 -4.816 1.00 0.00 N ATOM 805 CA HIS A 52 -2.745 -0.493 -5.795 1.00 0.00 C ATOM 806 C HIS A 52 -2.724 -1.976 -5.440 1.00 0.00 C ATOM 807 O HIS A 52 -1.802 -2.702 -5.815 1.00 0.00 O ATOM 808 CB HIS A 52 -2.167 -0.283 -7.195 1.00 0.00 C ATOM 809 CG HIS A 52 -2.617 -1.309 -8.189 1.00 0.00 C ATOM 810 ND1 HIS A 52 -3.939 -1.488 -8.539 1.00 0.00 N ATOM 811 CD2 HIS A 52 -1.913 -2.213 -8.910 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.028 -2.458 -9.432 1.00 0.00 C ATOM 813 NE2 HIS A 52 -2.812 -2.914 -9.674 1.00 0.00 N ATOM 0 H HIS A 52 -1.043 -0.038 -4.659 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.779 -0.150 -5.782 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.452 0.707 -7.552 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.079 -0.299 -7.136 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.725 -0.955 -8.167 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.843 -2.356 -8.888 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.940 -2.817 -9.887 1.00 0.00 H new ATOM 822 N TYR A 53 -3.743 -2.421 -4.714 1.00 0.00 N ATOM 823 CA TYR A 53 -3.840 -3.817 -4.305 1.00 0.00 C ATOM 824 C TYR A 53 -3.760 -4.745 -5.513 1.00 0.00 C ATOM 825 O TYR A 53 -4.709 -4.854 -6.290 1.00 0.00 O ATOM 826 CB TYR A 53 -5.146 -4.059 -3.546 1.00 0.00 C ATOM 827 CG TYR A 53 -5.204 -3.366 -2.204 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.138 -3.440 -1.315 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.325 -2.639 -1.823 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.187 -2.809 -0.087 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.382 -2.004 -0.598 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.311 -2.092 0.267 1.00 0.00 C ATOM 833 OH TYR A 53 -5.364 -1.461 1.489 1.00 0.00 O ATOM 0 H TYR A 53 -4.515 -1.834 -4.396 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.000 -4.035 -3.646 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.981 -3.717 -4.158 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.277 -5.131 -3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.256 -4.000 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.166 -2.569 -2.497 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.350 -2.877 0.592 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.261 -1.441 -0.319 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.456 -1.358 1.844 1.00 0.00 H new ATOM 843 N SER A 54 -2.621 -5.413 -5.664 1.00 0.00 N ATOM 844 CA SER A 54 -2.415 -6.331 -6.778 1.00 0.00 C ATOM 845 C SER A 54 -3.653 -7.190 -7.011 1.00 0.00 C ATOM 846 O SER A 54 -3.938 -8.109 -6.244 1.00 0.00 O ATOM 847 CB SER A 54 -1.202 -7.224 -6.513 1.00 0.00 C ATOM 848 OG SER A 54 -0.770 -7.864 -7.701 1.00 0.00 O ATOM 0 H SER A 54 -1.827 -5.336 -5.029 1.00 0.00 H new ATOM 0 HA SER A 54 -2.232 -5.739 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.389 -6.625 -6.102 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.456 -7.974 -5.764 1.00 0.00 H new ATOM 0 HG SER A 54 0.007 -8.427 -7.505 1.00 0.00 H new ATOM 854 N GLY A 55 -4.387 -6.884 -8.077 1.00 0.00 N ATOM 855 CA GLY A 55 -5.587 -7.637 -8.392 1.00 0.00 C ATOM 856 C GLY A 55 -6.155 -7.279 -9.751 1.00 0.00 C ATOM 857 O GLY A 55 -5.589 -6.457 -10.471 1.00 0.00 O ATOM 0 H GLY A 55 -4.172 -6.128 -8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.361 -8.703 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.340 -7.452 -7.626 1.00 0.00 H new ATOM 861 N TRP A 56 -7.276 -7.899 -10.103 1.00 0.00 N ATOM 862 CA TRP A 56 -7.920 -7.642 -11.387 1.00 0.00 C ATOM 863 C TRP A 56 -8.481 -6.225 -11.440 1.00 0.00 C ATOM 864 O TRP A 56 -8.111 -5.434 -12.306 1.00 0.00 O ATOM 865 CB TRP A 56 -9.039 -8.656 -11.631 1.00 0.00 C ATOM 866 CG TRP A 56 -8.544 -9.973 -12.148 1.00 0.00 C ATOM 867 CD1 TRP A 56 -7.533 -10.730 -11.628 1.00 0.00 C ATOM 868 CD2 TRP A 56 -9.037 -10.686 -13.287 1.00 0.00 C ATOM 869 NE1 TRP A 56 -7.368 -11.871 -12.375 1.00 0.00 N ATOM 870 CE2 TRP A 56 -8.279 -11.868 -13.398 1.00 0.00 C ATOM 871 CE3 TRP A 56 -10.045 -10.443 -14.223 1.00 0.00 C ATOM 872 CZ2 TRP A 56 -8.499 -12.801 -14.408 1.00 0.00 C ATOM 873 CZ3 TRP A 56 -10.262 -11.369 -15.225 1.00 0.00 C ATOM 874 CH2 TRP A 56 -9.493 -12.537 -15.311 1.00 0.00 C ATOM 0 H TRP A 56 -7.757 -8.582 -9.518 1.00 0.00 H new ATOM 0 HA TRP A 56 -7.169 -7.745 -12.170 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -9.581 -8.820 -10.699 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.750 -8.238 -12.344 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.949 -10.470 -10.757 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.679 -12.602 -12.197 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -10.644 -9.547 -14.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.906 -13.701 -14.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -11.038 -11.189 -15.955 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -9.688 -13.243 -16.105 1.00 0.00 H new ATOM 885 N ASN A 57 -9.376 -5.912 -10.509 1.00 0.00 N ATOM 886 CA ASN A 57 -9.988 -4.589 -10.451 1.00 0.00 C ATOM 887 C ASN A 57 -9.109 -3.617 -9.670 1.00 0.00 C ATOM 888 O ASN A 57 -8.140 -4.018 -9.025 1.00 0.00 O ATOM 889 CB ASN A 57 -11.373 -4.673 -9.806 1.00 0.00 C ATOM 890 CG ASN A 57 -11.320 -5.215 -8.391 1.00 0.00 C ATOM 891 OD1 ASN A 57 -11.056 -6.398 -8.177 1.00 0.00 O ATOM 892 ND2 ASN A 57 -11.572 -4.349 -7.416 1.00 0.00 N ATOM 0 H ASN A 57 -9.694 -6.556 -9.785 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.091 -4.219 -11.471 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.827 -3.682 -9.796 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.015 -5.311 -10.413 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.551 -4.656 -6.443 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.786 -3.377 -7.640 1.00 0.00 H new ATOM 899 N LYS A 58 -9.455 -2.335 -9.731 1.00 0.00 N ATOM 900 CA LYS A 58 -8.700 -1.304 -9.029 1.00 0.00 C ATOM 901 C LYS A 58 -9.631 -0.399 -8.228 1.00 0.00 C ATOM 902 O LYS A 58 -9.463 0.819 -8.210 1.00 0.00 O ATOM 903 CB LYS A 58 -7.891 -0.469 -10.023 1.00 0.00 C ATOM 904 CG LYS A 58 -8.748 0.282 -11.027 1.00 0.00 C ATOM 905 CD LYS A 58 -9.041 -0.564 -12.254 1.00 0.00 C ATOM 906 CE LYS A 58 -7.797 -0.756 -13.108 1.00 0.00 C ATOM 907 NZ LYS A 58 -8.121 -1.350 -14.435 1.00 0.00 N ATOM 0 H LYS A 58 -10.254 -1.985 -10.260 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.017 -1.797 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.281 0.247 -9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.206 -1.124 -10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.685 0.579 -10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.239 1.197 -11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.425 -1.536 -11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.821 -0.088 -12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.303 0.205 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.093 -1.401 -12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.247 -1.465 -14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.569 -2.279 -14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.773 -0.722 -14.947 1.00 0.00 H new ATOM 921 N ASN A 59 -10.612 -1.004 -7.566 1.00 0.00 N ATOM 922 CA ASN A 59 -11.569 -0.252 -6.762 1.00 0.00 C ATOM 923 C ASN A 59 -11.052 -0.061 -5.339 1.00 0.00 C ATOM 924 O ASN A 59 -10.838 1.066 -4.892 1.00 0.00 O ATOM 925 CB ASN A 59 -12.919 -0.971 -6.734 1.00 0.00 C ATOM 926 CG ASN A 59 -13.631 -0.915 -8.072 1.00 0.00 C ATOM 927 OD1 ASN A 59 -14.682 -0.286 -8.203 1.00 0.00 O ATOM 928 ND2 ASN A 59 -13.061 -1.574 -9.074 1.00 0.00 N ATOM 0 H ASN A 59 -10.765 -2.012 -7.570 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.697 0.730 -7.218 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.767 -2.012 -6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.552 -0.520 -5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.494 -1.572 -9.997 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.190 -2.082 -8.920 1.00 0.00 H new ATOM 935 N TRP A 60 -10.855 -1.169 -4.634 1.00 0.00 N ATOM 936 CA TRP A 60 -10.364 -1.123 -3.261 1.00 0.00 C ATOM 937 C TRP A 60 -9.221 -0.123 -3.125 1.00 0.00 C ATOM 938 O TRP A 60 -8.949 0.378 -2.034 1.00 0.00 O ATOM 939 CB TRP A 60 -9.898 -2.511 -2.819 1.00 0.00 C ATOM 940 CG TRP A 60 -9.228 -3.289 -3.910 1.00 0.00 C ATOM 941 CD1 TRP A 60 -8.198 -2.870 -4.703 1.00 0.00 C ATOM 942 CD2 TRP A 60 -9.543 -4.621 -4.331 1.00 0.00 C ATOM 943 NE1 TRP A 60 -7.854 -3.860 -5.591 1.00 0.00 N ATOM 944 CE2 TRP A 60 -8.664 -4.945 -5.383 1.00 0.00 C ATOM 945 CE3 TRP A 60 -10.482 -5.572 -3.921 1.00 0.00 C ATOM 946 CZ2 TRP A 60 -8.698 -6.179 -6.027 1.00 0.00 C ATOM 947 CZ3 TRP A 60 -10.514 -6.796 -4.562 1.00 0.00 C ATOM 948 CH2 TRP A 60 -9.626 -7.090 -5.605 1.00 0.00 C ATOM 0 H TRP A 60 -11.027 -2.109 -4.990 1.00 0.00 H new ATOM 0 HA TRP A 60 -11.183 -0.800 -2.619 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.208 -2.405 -1.982 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.756 -3.075 -2.455 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.723 -1.902 -4.641 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -7.115 -3.797 -6.292 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -11.170 -5.354 -3.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -8.015 -6.408 -6.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -11.236 -7.538 -4.254 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.676 -8.056 -6.085 1.00 0.00 H new ATOM 959 N ASP A 61 -8.556 0.165 -4.239 1.00 0.00 N ATOM 960 CA ASP A 61 -7.444 1.107 -4.244 1.00 0.00 C ATOM 961 C ASP A 61 -7.748 2.312 -3.359 1.00 0.00 C ATOM 962 O ASP A 61 -8.582 3.150 -3.701 1.00 0.00 O ATOM 963 CB ASP A 61 -7.145 1.569 -5.671 1.00 0.00 C ATOM 964 CG ASP A 61 -6.208 0.627 -6.400 1.00 0.00 C ATOM 965 OD1 ASP A 61 -6.194 -0.575 -6.061 1.00 0.00 O ATOM 966 OD2 ASP A 61 -5.489 1.091 -7.310 1.00 0.00 O ATOM 0 H ASP A 61 -8.768 -0.241 -5.150 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.567 0.598 -3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.079 1.650 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.704 2.565 -5.642 1.00 0.00 H new ATOM 971 N GLU A 62 -7.068 2.391 -2.220 1.00 0.00 N ATOM 972 CA GLU A 62 -7.268 3.492 -1.285 1.00 0.00 C ATOM 973 C GLU A 62 -5.953 4.214 -1.006 1.00 0.00 C ATOM 974 O GLU A 62 -4.884 3.757 -1.409 1.00 0.00 O ATOM 975 CB GLU A 62 -7.868 2.977 0.024 1.00 0.00 C ATOM 976 CG GLU A 62 -7.158 1.753 0.579 1.00 0.00 C ATOM 977 CD GLU A 62 -7.695 1.332 1.934 1.00 0.00 C ATOM 978 OE1 GLU A 62 -8.074 2.220 2.725 1.00 0.00 O ATOM 979 OE2 GLU A 62 -7.735 0.112 2.202 1.00 0.00 O ATOM 0 H GLU A 62 -6.374 1.706 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.962 4.199 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.835 3.774 0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.918 2.735 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.265 0.926 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.092 1.963 0.664 1.00 0.00 H new ATOM 986 N TRP A 63 -6.041 5.344 -0.313 1.00 0.00 N ATOM 987 CA TRP A 63 -4.859 6.130 0.020 1.00 0.00 C ATOM 988 C TRP A 63 -4.325 5.753 1.397 1.00 0.00 C ATOM 989 O TRP A 63 -5.093 5.546 2.337 1.00 0.00 O ATOM 990 CB TRP A 63 -5.186 7.624 -0.022 1.00 0.00 C ATOM 991 CG TRP A 63 -5.207 8.188 -1.410 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.303 8.367 -2.205 1.00 0.00 C ATOM 993 CD2 TRP A 63 -4.081 8.645 -2.167 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.926 8.908 -3.411 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.568 9.089 -3.412 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.709 8.725 -1.913 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.730 9.602 -4.399 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.879 9.234 -2.894 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.391 9.668 -4.123 1.00 0.00 C ATOM 0 H TRP A 63 -6.918 5.736 0.029 1.00 0.00 H new ATOM 0 HA TRP A 63 -4.089 5.913 -0.720 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.157 7.789 0.445 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.451 8.167 0.572 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.317 8.120 -1.927 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.555 9.137 -4.180 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.305 8.395 -0.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.123 9.936 -5.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.817 9.298 -2.709 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.716 10.063 -4.868 1.00 0.00 H new ATOM 1010 N VAL A 64 -3.004 5.664 1.511 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.367 5.313 2.775 1.00 0.00 C ATOM 1012 C VAL A 64 -1.223 6.267 3.098 1.00 0.00 C ATOM 1013 O VAL A 64 -0.582 6.831 2.210 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.826 3.871 2.749 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.831 2.935 2.095 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.488 3.817 2.028 1.00 0.00 C ATOM 0 H VAL A 64 -2.354 5.830 0.743 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.132 5.393 3.548 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.673 3.541 3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.431 1.921 2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.764 2.952 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.019 3.260 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.121 2.791 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.613 4.167 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.230 4.455 2.544 1.00 0.00 H new ATOM 1026 N PRO A 65 -0.957 6.454 4.399 1.00 0.00 N ATOM 1027 CA PRO A 65 0.112 7.339 4.870 1.00 0.00 C ATOM 1028 C PRO A 65 1.500 6.785 4.566 1.00 0.00 C ATOM 1029 O PRO A 65 1.639 5.804 3.836 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.120 7.402 6.382 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.830 6.134 6.709 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.680 5.815 5.511 1.00 0.00 C ATOM 0 HA PRO A 65 0.081 8.312 4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.822 7.479 6.924 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.717 8.272 6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.121 5.331 6.910 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.443 6.249 7.603 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.777 4.740 5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.689 6.214 5.616 1.00 0.00 H new ATOM 1040 N GLU A 66 2.522 7.420 5.131 1.00 0.00 N ATOM 1041 CA GLU A 66 3.899 6.989 4.919 1.00 0.00 C ATOM 1042 C GLU A 66 4.297 5.920 5.933 1.00 0.00 C ATOM 1043 O GLU A 66 5.359 5.309 5.822 1.00 0.00 O ATOM 1044 CB GLU A 66 4.851 8.182 5.019 1.00 0.00 C ATOM 1045 CG GLU A 66 6.281 7.855 4.621 1.00 0.00 C ATOM 1046 CD GLU A 66 7.232 9.011 4.861 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.799 9.093 5.971 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.411 9.833 3.939 1.00 0.00 O ATOM 0 H GLU A 66 2.423 8.234 5.738 1.00 0.00 H new ATOM 0 HA GLU A 66 3.969 6.560 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.481 8.986 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.844 8.557 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.621 6.986 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.307 7.581 3.566 1.00 0.00 H new ATOM 1055 N SER A 67 3.436 5.701 6.922 1.00 0.00 N ATOM 1056 CA SER A 67 3.698 4.710 7.958 1.00 0.00 C ATOM 1057 C SER A 67 3.016 3.386 7.629 1.00 0.00 C ATOM 1058 O SER A 67 3.342 2.347 8.204 1.00 0.00 O ATOM 1059 CB SER A 67 3.216 5.222 9.317 1.00 0.00 C ATOM 1060 OG SER A 67 3.931 4.609 10.376 1.00 0.00 O ATOM 0 H SER A 67 2.551 6.197 7.027 1.00 0.00 H new ATOM 0 HA SER A 67 4.774 4.543 8.002 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.342 6.304 9.367 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.151 5.020 9.428 1.00 0.00 H new ATOM 0 HG SER A 67 3.605 4.954 11.233 1.00 0.00 H new ATOM 1066 N ARG A 68 2.066 3.432 6.701 1.00 0.00 N ATOM 1067 CA ARG A 68 1.335 2.237 6.296 1.00 0.00 C ATOM 1068 C ARG A 68 1.992 1.584 5.083 1.00 0.00 C ATOM 1069 O ARG A 68 1.516 0.566 4.579 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.119 2.587 5.975 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.013 2.659 7.202 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.457 2.327 6.861 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.395 2.933 7.801 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.683 2.614 7.863 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -5.183 1.698 7.044 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.474 3.209 8.747 1.00 0.00 N ATOM 0 H ARG A 68 1.784 4.284 6.215 1.00 0.00 H new ATOM 0 HA ARG A 68 1.356 1.529 7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.147 3.546 5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.520 1.843 5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.649 1.966 7.960 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.961 3.659 7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.680 2.674 5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.590 1.245 6.863 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.042 3.640 8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.578 1.237 6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.172 1.455 7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.093 3.912 9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.463 2.963 8.793 1.00 0.00 H new ATOM 1090 N VAL A 69 3.087 2.176 4.619 1.00 0.00 N ATOM 1091 CA VAL A 69 3.810 1.652 3.466 1.00 0.00 C ATOM 1092 C VAL A 69 5.203 1.174 3.860 1.00 0.00 C ATOM 1093 O VAL A 69 5.894 1.823 4.647 1.00 0.00 O ATOM 1094 CB VAL A 69 3.938 2.711 2.355 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.394 2.068 1.054 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.618 3.443 2.163 1.00 0.00 C ATOM 0 H VAL A 69 3.494 3.019 5.024 1.00 0.00 H new ATOM 0 HA VAL A 69 3.233 0.808 3.089 1.00 0.00 H new ATOM 0 HB VAL A 69 4.691 3.439 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.479 2.832 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.364 1.593 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.667 1.318 0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.726 4.188 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.843 2.729 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.338 3.938 3.093 1.00 0.00 H new ATOM 1106 N LEU A 70 5.610 0.036 3.310 1.00 0.00 N ATOM 1107 CA LEU A 70 6.922 -0.530 3.604 1.00 0.00 C ATOM 1108 C LEU A 70 7.797 -0.554 2.354 1.00 0.00 C ATOM 1109 O LEU A 70 7.302 -0.423 1.234 1.00 0.00 O ATOM 1110 CB LEU A 70 6.775 -1.945 4.165 1.00 0.00 C ATOM 1111 CG LEU A 70 5.705 -2.133 5.241 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.639 -3.588 5.680 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.981 -1.227 6.432 1.00 0.00 C ATOM 0 H LEU A 70 5.050 -0.513 2.658 1.00 0.00 H new ATOM 0 HA LEU A 70 7.404 0.101 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.553 -2.621 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.736 -2.252 4.579 1.00 0.00 H new ATOM 0 HG LEU A 70 4.739 -1.858 4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.872 -3.702 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.393 -4.216 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.605 -3.890 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.209 -1.374 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.955 -1.470 6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.976 -0.187 6.107 1.00 0.00 H new ATOM 1125 N LYS A 71 9.099 -0.725 2.553 1.00 0.00 N ATOM 1126 CA LYS A 71 10.044 -0.771 1.444 1.00 0.00 C ATOM 1127 C LYS A 71 10.062 -2.154 0.801 1.00 0.00 C ATOM 1128 O LYS A 71 10.923 -2.453 -0.027 1.00 0.00 O ATOM 1129 CB LYS A 71 11.448 -0.403 1.927 1.00 0.00 C ATOM 1130 CG LYS A 71 11.596 1.059 2.311 1.00 0.00 C ATOM 1131 CD LYS A 71 10.922 1.359 3.639 1.00 0.00 C ATOM 1132 CE LYS A 71 11.258 2.758 4.132 1.00 0.00 C ATOM 1133 NZ LYS A 71 10.823 3.805 3.167 1.00 0.00 N ATOM 0 H LYS A 71 9.525 -0.834 3.474 1.00 0.00 H new ATOM 0 HA LYS A 71 9.723 -0.046 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.701 -1.023 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.166 -0.638 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.654 1.314 2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.162 1.686 1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.842 1.260 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.236 0.625 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.777 2.929 5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.333 2.838 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.849 4.736 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.462 3.808 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.853 3.603 2.849 1.00 0.00 H new ATOM 1147 N TYR A 72 9.107 -2.993 1.187 1.00 0.00 N ATOM 1148 CA TYR A 72 9.014 -4.345 0.648 1.00 0.00 C ATOM 1149 C TYR A 72 10.378 -5.028 0.655 1.00 0.00 C ATOM 1150 O TYR A 72 10.781 -5.646 -0.331 1.00 0.00 O ATOM 1151 CB TYR A 72 8.454 -4.312 -0.775 1.00 0.00 C ATOM 1152 CG TYR A 72 7.651 -5.541 -1.138 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.280 -6.711 -1.544 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.263 -5.531 -1.074 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.551 -7.836 -1.878 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.526 -6.652 -1.404 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.174 -7.801 -1.805 1.00 0.00 C ATOM 1158 OH TYR A 72 5.443 -8.919 -2.136 1.00 0.00 O ATOM 0 H TYR A 72 8.387 -2.761 1.871 1.00 0.00 H new ATOM 0 HA TYR A 72 8.338 -4.917 1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.824 -3.430 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.279 -4.206 -1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.358 -6.742 -1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.752 -4.632 -0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.056 -8.737 -2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.448 -6.628 -1.348 1.00 0.00 H new ATOM 0 HH TYR A 72 5.039 -9.297 -1.327 1.00 0.00 H new ATOM 1168 N VAL A 73 11.085 -4.913 1.774 1.00 0.00 N ATOM 1169 CA VAL A 73 12.403 -5.521 1.912 1.00 0.00 C ATOM 1170 C VAL A 73 12.344 -6.770 2.785 1.00 0.00 C ATOM 1171 O VAL A 73 11.381 -6.980 3.522 1.00 0.00 O ATOM 1172 CB VAL A 73 13.417 -4.532 2.518 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.734 -3.420 1.530 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.887 -3.961 3.825 1.00 0.00 C ATOM 0 H VAL A 73 10.767 -4.404 2.599 1.00 0.00 H new ATOM 0 HA VAL A 73 12.730 -5.797 0.910 1.00 0.00 H new ATOM 0 HB VAL A 73 14.341 -5.070 2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.452 -2.731 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.158 -3.850 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.819 -2.881 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.616 -3.264 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.949 -3.438 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.716 -4.772 4.533 1.00 0.00 H new ATOM 1184 N ASP A 74 13.381 -7.596 2.696 1.00 0.00 N ATOM 1185 CA ASP A 74 13.449 -8.824 3.479 1.00 0.00 C ATOM 1186 C ASP A 74 12.797 -8.634 4.846 1.00 0.00 C ATOM 1187 O ASP A 74 11.836 -9.323 5.189 1.00 0.00 O ATOM 1188 CB ASP A 74 14.903 -9.266 3.650 1.00 0.00 C ATOM 1189 CG ASP A 74 15.020 -10.662 4.228 1.00 0.00 C ATOM 1190 OD1 ASP A 74 14.511 -10.886 5.346 1.00 0.00 O ATOM 1191 OD2 ASP A 74 15.621 -11.532 3.563 1.00 0.00 O ATOM 0 H ASP A 74 14.186 -7.437 2.090 1.00 0.00 H new ATOM 0 HA ASP A 74 12.903 -9.599 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.406 -9.233 2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.419 -8.562 4.302 1.00 0.00 H new ATOM 1196 N THR A 75 13.328 -7.696 5.623 1.00 0.00 N ATOM 1197 CA THR A 75 12.800 -7.417 6.953 1.00 0.00 C ATOM 1198 C THR A 75 11.281 -7.294 6.927 1.00 0.00 C ATOM 1199 O THR A 75 10.579 -8.012 7.637 1.00 0.00 O ATOM 1200 CB THR A 75 13.399 -6.122 7.534 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.828 -6.203 7.543 1.00 0.00 O ATOM 1202 CG2 THR A 75 12.891 -5.877 8.947 1.00 0.00 C ATOM 0 H THR A 75 14.123 -7.116 5.355 1.00 0.00 H new ATOM 0 HA THR A 75 13.083 -8.257 7.588 1.00 0.00 H new ATOM 0 HB THR A 75 13.087 -5.290 6.903 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.200 -5.375 7.912 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.328 -4.957 9.336 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.805 -5.785 8.932 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.176 -6.713 9.586 1.00 0.00 H new ATOM 1210 N ASN A 76 10.780 -6.380 6.103 1.00 0.00 N ATOM 1211 CA ASN A 76 9.342 -6.164 5.985 1.00 0.00 C ATOM 1212 C ASN A 76 8.629 -7.454 5.592 1.00 0.00 C ATOM 1213 O ASN A 76 7.527 -7.736 6.065 1.00 0.00 O ATOM 1214 CB ASN A 76 9.053 -5.072 4.952 1.00 0.00 C ATOM 1215 CG ASN A 76 9.348 -3.682 5.481 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.031 -3.362 6.627 1.00 0.00 O ATOM 1217 ND2 ASN A 76 9.957 -2.849 4.646 1.00 0.00 N ATOM 0 H ASN A 76 11.348 -5.777 5.507 1.00 0.00 H new ATOM 0 HA ASN A 76 8.966 -5.844 6.957 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.652 -5.253 4.059 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.007 -5.129 4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.181 -1.900 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.201 -3.158 3.705 1.00 0.00 H new ATOM 1224 N LEU A 77 9.264 -8.233 4.724 1.00 0.00 N ATOM 1225 CA LEU A 77 8.691 -9.495 4.267 1.00 0.00 C ATOM 1226 C LEU A 77 8.495 -10.458 5.433 1.00 0.00 C ATOM 1227 O LEU A 77 7.466 -11.126 5.532 1.00 0.00 O ATOM 1228 CB LEU A 77 9.592 -10.133 3.209 1.00 0.00 C ATOM 1229 CG LEU A 77 9.718 -9.374 1.887 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.831 -9.965 1.036 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.397 -9.396 1.131 1.00 0.00 C ATOM 0 H LEU A 77 10.176 -8.014 4.322 1.00 0.00 H new ATOM 0 HA LEU A 77 7.716 -9.285 3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.589 -10.251 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.216 -11.134 2.996 1.00 0.00 H new ATOM 0 HG LEU A 77 9.970 -8.337 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.906 -9.412 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.776 -9.896 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.610 -11.011 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.505 -8.851 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.115 -10.428 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.623 -8.925 1.737 1.00 0.00 H new ATOM 1243 N GLN A 78 9.488 -10.522 6.314 1.00 0.00 N ATOM 1244 CA GLN A 78 9.424 -11.403 7.474 1.00 0.00 C ATOM 1245 C GLN A 78 8.082 -11.267 8.187 1.00 0.00 C ATOM 1246 O GLN A 78 7.547 -12.241 8.718 1.00 0.00 O ATOM 1247 CB GLN A 78 10.564 -11.088 8.444 1.00 0.00 C ATOM 1248 CG GLN A 78 11.940 -11.126 7.798 1.00 0.00 C ATOM 1249 CD GLN A 78 12.595 -12.489 7.899 1.00 0.00 C ATOM 1250 OE1 GLN A 78 12.024 -13.497 7.481 1.00 0.00 O ATOM 1251 NE2 GLN A 78 13.800 -12.528 8.455 1.00 0.00 N ATOM 0 H GLN A 78 10.346 -9.975 6.247 1.00 0.00 H new ATOM 0 HA GLN A 78 9.527 -12.430 7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.401 -10.100 8.875 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.538 -11.803 9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.852 -10.846 6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.581 -10.383 8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 78 14.236 -11.668 8.788 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.290 -13.418 8.549 1.00 0.00 H new ATOM 1260 N LYS A 79 7.543 -10.052 8.196 1.00 0.00 N ATOM 1261 CA LYS A 79 6.264 -9.788 8.843 1.00 0.00 C ATOM 1262 C LYS A 79 5.103 -10.132 7.914 1.00 0.00 C ATOM 1263 O LYS A 79 4.333 -11.052 8.185 1.00 0.00 O ATOM 1264 CB LYS A 79 6.176 -8.319 9.263 1.00 0.00 C ATOM 1265 CG LYS A 79 4.849 -7.948 9.904 1.00 0.00 C ATOM 1266 CD LYS A 79 4.711 -6.444 10.069 1.00 0.00 C ATOM 1267 CE LYS A 79 3.772 -6.093 11.213 1.00 0.00 C ATOM 1268 NZ LYS A 79 4.478 -6.075 12.524 1.00 0.00 N ATOM 0 H LYS A 79 7.973 -9.235 7.762 1.00 0.00 H new ATOM 0 HA LYS A 79 6.196 -10.418 9.730 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.982 -8.101 9.964 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.336 -7.689 8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.030 -8.324 9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.767 -8.431 10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.692 -6.006 10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.337 -6.008 9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.324 -5.117 11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.957 -6.816 11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.804 -5.832 13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.884 -7.014 12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.239 -5.367 12.499 1.00 0.00 H new ATOM 1282 N GLN A 80 4.987 -9.388 6.819 1.00 0.00 N ATOM 1283 CA GLN A 80 3.921 -9.616 5.851 1.00 0.00 C ATOM 1284 C GLN A 80 3.567 -11.097 5.770 1.00 0.00 C ATOM 1285 O GLN A 80 2.406 -11.459 5.578 1.00 0.00 O ATOM 1286 CB GLN A 80 4.337 -9.102 4.472 1.00 0.00 C ATOM 1287 CG GLN A 80 3.357 -9.463 3.367 1.00 0.00 C ATOM 1288 CD GLN A 80 4.001 -9.465 1.994 1.00 0.00 C ATOM 1289 OE1 GLN A 80 5.215 -9.312 1.865 1.00 0.00 O ATOM 1290 NE2 GLN A 80 3.187 -9.639 0.959 1.00 0.00 N ATOM 0 H GLN A 80 5.618 -8.623 6.580 1.00 0.00 H new ATOM 0 HA GLN A 80 3.039 -9.068 6.184 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.441 -8.018 4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.318 -9.507 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.935 -10.448 3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.529 -8.754 3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.186 -9.762 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.563 -9.650 0.011 1.00 0.00 H new ATOM 1299 N ARG A 81 4.576 -11.950 5.916 1.00 0.00 N ATOM 1300 CA ARG A 81 4.371 -13.393 5.858 1.00 0.00 C ATOM 1301 C ARG A 81 3.837 -13.920 7.186 1.00 0.00 C ATOM 1302 O ARG A 81 2.881 -14.694 7.217 1.00 0.00 O ATOM 1303 CB ARG A 81 5.681 -14.101 5.505 1.00 0.00 C ATOM 1304 CG ARG A 81 6.753 -13.967 6.573 1.00 0.00 C ATOM 1305 CD ARG A 81 8.024 -14.705 6.184 1.00 0.00 C ATOM 1306 NE ARG A 81 7.856 -16.154 6.248 1.00 0.00 N ATOM 1307 CZ ARG A 81 8.866 -17.015 6.183 1.00 0.00 C ATOM 1308 NH1 ARG A 81 10.110 -16.574 6.052 1.00 0.00 N ATOM 1309 NH2 ARG A 81 8.633 -18.319 6.248 1.00 0.00 N ATOM 0 H ARG A 81 5.543 -11.667 6.075 1.00 0.00 H new ATOM 0 HA ARG A 81 3.633 -13.600 5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.478 -15.159 5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.062 -13.696 4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.978 -12.913 6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.378 -14.360 7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.315 -14.418 5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.835 -14.404 6.847 1.00 0.00 H new ATOM 0 HE ARG A 81 6.911 -16.526 6.348 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.293 -15.572 6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.884 -17.237 6.002 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.678 -18.662 6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.409 -18.979 6.198 1.00 0.00 H new ATOM 1323 N GLU A 82 4.463 -13.497 8.280 1.00 0.00 N ATOM 1324 CA GLU A 82 4.050 -13.928 9.610 1.00 0.00 C ATOM 1325 C GLU A 82 2.552 -13.717 9.811 1.00 0.00 C ATOM 1326 O GLU A 82 1.883 -14.519 10.464 1.00 0.00 O ATOM 1327 CB GLU A 82 4.832 -13.167 10.683 1.00 0.00 C ATOM 1328 CG GLU A 82 4.130 -11.909 11.169 1.00 0.00 C ATOM 1329 CD GLU A 82 4.844 -11.258 12.338 1.00 0.00 C ATOM 1330 OE1 GLU A 82 4.543 -11.622 13.494 1.00 0.00 O ATOM 1331 OE2 GLU A 82 5.704 -10.385 12.097 1.00 0.00 O ATOM 0 H GLU A 82 5.257 -12.857 8.271 1.00 0.00 H new ATOM 0 HA GLU A 82 4.264 -14.993 9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.005 -13.828 11.532 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.810 -12.897 10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.060 -11.196 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.110 -12.157 11.463 1.00 0.00 H new ATOM 1338 N LEU A 83 2.032 -12.634 9.245 1.00 0.00 N ATOM 1339 CA LEU A 83 0.613 -12.316 9.361 1.00 0.00 C ATOM 1340 C LEU A 83 -0.215 -13.164 8.401 1.00 0.00 C ATOM 1341 O LEU A 83 -1.201 -13.784 8.799 1.00 0.00 O ATOM 1342 CB LEU A 83 0.379 -10.831 9.079 1.00 0.00 C ATOM 1343 CG LEU A 83 1.360 -9.860 9.737 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.279 -8.491 9.079 1.00 0.00 C ATOM 1345 CD2 LEU A 83 1.084 -9.752 11.230 1.00 0.00 C ATOM 0 H LEU A 83 2.572 -11.961 8.701 1.00 0.00 H new ATOM 0 HA LEU A 83 0.297 -12.541 10.380 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.414 -10.677 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.629 -10.574 9.405 1.00 0.00 H new ATOM 0 HG LEU A 83 2.370 -10.247 9.601 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.984 -7.814 9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.526 -8.581 8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.268 -8.097 9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.792 -9.057 11.681 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.068 -9.389 11.387 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.194 -10.733 11.692 1.00 0.00 H new ATOM 1357 N GLN A 84 0.194 -13.188 7.137 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.510 -13.961 6.121 1.00 0.00 C ATOM 1359 C GLN A 84 -0.693 -15.408 6.568 1.00 0.00 C ATOM 1360 O GLN A 84 -1.648 -16.076 6.171 1.00 0.00 O ATOM 1361 CB GLN A 84 0.253 -13.918 4.796 1.00 0.00 C ATOM 1362 CG GLN A 84 0.087 -12.608 4.041 1.00 0.00 C ATOM 1363 CD GLN A 84 0.866 -12.582 2.741 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.397 -13.602 2.301 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.938 -11.412 2.118 1.00 0.00 N ATOM 0 H GLN A 84 1.009 -12.681 6.792 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.495 -13.515 5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.313 -14.084 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.087 -14.738 4.164 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.970 -12.446 3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.416 -11.784 4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.483 -10.592 2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.449 -11.333 1.239 1.00 0.00 H new ATOM 1374 N LYS A 85 0.228 -15.886 7.398 1.00 0.00 N ATOM 1375 CA LYS A 85 0.169 -17.254 7.901 1.00 0.00 C ATOM 1376 C LYS A 85 -0.571 -17.311 9.234 1.00 0.00 C ATOM 1377 O LYS A 85 -1.226 -18.305 9.548 1.00 0.00 O ATOM 1378 CB LYS A 85 1.581 -17.820 8.065 1.00 0.00 C ATOM 1379 CG LYS A 85 2.332 -17.247 9.253 1.00 0.00 C ATOM 1380 CD LYS A 85 3.482 -18.147 9.673 1.00 0.00 C ATOM 1381 CE LYS A 85 3.026 -19.208 10.663 1.00 0.00 C ATOM 1382 NZ LYS A 85 2.906 -18.664 12.044 1.00 0.00 N ATOM 0 H LYS A 85 1.024 -15.346 7.737 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.376 -17.859 7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.519 -18.903 8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.150 -17.623 7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.716 -16.259 9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.646 -17.117 10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.909 -18.628 8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.272 -17.545 10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.064 -19.610 10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.734 -20.036 10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.593 -19.418 12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.830 -18.303 12.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.211 -17.890 12.053 1.00 0.00 H new ATOM 1396 N ALA A 86 -0.463 -16.240 10.012 1.00 0.00 N ATOM 1397 CA ALA A 86 -1.125 -16.168 11.309 1.00 0.00 C ATOM 1398 C ALA A 86 -2.629 -16.375 11.170 1.00 0.00 C ATOM 1399 O ALA A 86 -3.226 -17.168 11.897 1.00 0.00 O ATOM 1400 CB ALA A 86 -0.833 -14.832 11.977 1.00 0.00 C ATOM 0 H ALA A 86 0.077 -15.410 9.767 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.731 -16.969 11.935 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.333 -14.792 12.944 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.242 -14.724 12.120 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.198 -14.022 11.346 1.00 0.00 H new ATOM 1406 N ASN A 87 -3.236 -15.655 10.232 1.00 0.00 N ATOM 1407 CA ASN A 87 -4.672 -15.760 9.999 1.00 0.00 C ATOM 1408 C ASN A 87 -4.959 -16.298 8.600 1.00 0.00 C ATOM 1409 O ASN A 87 -5.063 -15.535 7.641 1.00 0.00 O ATOM 1410 CB ASN A 87 -5.340 -14.395 10.178 1.00 0.00 C ATOM 1411 CG ASN A 87 -4.827 -13.656 11.400 1.00 0.00 C ATOM 1412 OD1 ASN A 87 -5.464 -13.658 12.453 1.00 0.00 O ATOM 1413 ND2 ASN A 87 -3.669 -13.020 11.263 1.00 0.00 N ATOM 0 H ASN A 87 -2.757 -14.993 9.622 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.083 -16.458 10.729 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.165 -13.788 9.290 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.418 -14.530 10.264 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.273 -12.506 12.050 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.175 -13.046 10.371 1.00 0.00 H new ATOM 1420 N GLN A 88 -5.084 -17.617 8.494 1.00 0.00 N ATOM 1421 CA GLN A 88 -5.359 -18.257 7.213 1.00 0.00 C ATOM 1422 C GLN A 88 -6.846 -18.198 6.882 1.00 0.00 C ATOM 1423 O GLN A 88 -7.231 -18.185 5.714 1.00 0.00 O ATOM 1424 CB GLN A 88 -4.887 -19.712 7.235 1.00 0.00 C ATOM 1425 CG GLN A 88 -3.379 -19.861 7.358 1.00 0.00 C ATOM 1426 CD GLN A 88 -2.914 -21.289 7.146 1.00 0.00 C ATOM 1427 OE1 GLN A 88 -2.811 -22.067 8.094 1.00 0.00 O ATOM 1428 NE2 GLN A 88 -2.631 -21.640 5.897 1.00 0.00 N ATOM 0 H GLN A 88 -4.999 -18.263 9.279 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.812 -17.716 6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.364 -20.227 8.069 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.219 -20.207 6.322 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.893 -19.213 6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.064 -19.523 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.731 -20.962 5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.314 -22.588 5.693 1.00 0.00 H new ATOM 1437 N GLU A 89 -7.677 -18.161 7.919 1.00 0.00 N ATOM 1438 CA GLU A 89 -9.123 -18.104 7.737 1.00 0.00 C ATOM 1439 C GLU A 89 -9.560 -16.714 7.285 1.00 0.00 C ATOM 1440 O GLU A 89 -10.094 -16.546 6.189 1.00 0.00 O ATOM 1441 CB GLU A 89 -9.838 -18.478 9.037 1.00 0.00 C ATOM 1442 CG GLU A 89 -11.196 -17.814 9.197 1.00 0.00 C ATOM 1443 CD GLU A 89 -12.163 -18.653 10.009 1.00 0.00 C ATOM 1444 OE1 GLU A 89 -12.887 -19.474 9.408 1.00 0.00 O ATOM 1445 OE2 GLU A 89 -12.195 -18.489 11.247 1.00 0.00 O ATOM 0 H GLU A 89 -7.374 -18.169 8.893 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.395 -18.821 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.965 -19.560 9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.206 -18.203 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.068 -16.845 9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.623 -17.626 8.212 1.00 0.00 H new ATOM 1452 N GLN A 90 -9.328 -15.721 8.137 1.00 0.00 N ATOM 1453 CA GLN A 90 -9.699 -14.345 7.826 1.00 0.00 C ATOM 1454 C GLN A 90 -9.260 -13.969 6.414 1.00 0.00 C ATOM 1455 O GLN A 90 -10.031 -13.392 5.647 1.00 0.00 O ATOM 1456 CB GLN A 90 -9.075 -13.385 8.840 1.00 0.00 C ATOM 1457 CG GLN A 90 -9.929 -13.168 10.078 1.00 0.00 C ATOM 1458 CD GLN A 90 -9.814 -14.306 11.073 1.00 0.00 C ATOM 1459 OE1 GLN A 90 -10.643 -15.216 11.090 1.00 0.00 O ATOM 1460 NE2 GLN A 90 -8.784 -14.260 11.909 1.00 0.00 N ATOM 0 H GLN A 90 -8.885 -15.843 9.048 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.785 -14.266 7.882 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.102 -13.772 9.143 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -8.899 -12.424 8.357 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.632 -12.237 10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.971 -13.055 9.780 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.121 -13.487 11.859 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.656 -14.998 12.601 1.00 0.00 H new ATOM 1469 N TYR A 91 -8.018 -14.300 6.079 1.00 0.00 N ATOM 1470 CA TYR A 91 -7.476 -13.994 4.760 1.00 0.00 C ATOM 1471 C TYR A 91 -8.168 -14.822 3.681 1.00 0.00 C ATOM 1472 O TYR A 91 -8.707 -14.279 2.718 1.00 0.00 O ATOM 1473 CB TYR A 91 -5.969 -14.257 4.732 1.00 0.00 C ATOM 1474 CG TYR A 91 -5.229 -13.427 3.708 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -5.627 -13.415 2.376 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -4.132 -12.656 4.071 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -4.953 -12.658 1.437 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -3.453 -11.896 3.138 1.00 0.00 C ATOM 1479 CZ TYR A 91 -3.867 -11.900 1.823 1.00 0.00 C ATOM 1480 OH TYR A 91 -3.193 -11.145 0.891 1.00 0.00 O ATOM 0 H TYR A 91 -7.368 -14.780 6.702 1.00 0.00 H new ATOM 0 HA TYR A 91 -7.658 -12.939 4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.555 -14.054 5.720 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -5.797 -15.313 4.525 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.477 -14.007 2.070 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.804 -12.651 5.100 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.275 -12.660 0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.602 -11.302 3.437 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.166 -10.210 1.184 1.00 0.00 H new ATOM 1490 N ALA A 92 -8.149 -16.140 3.852 1.00 0.00 N ATOM 1491 CA ALA A 92 -8.777 -17.043 2.896 1.00 0.00 C ATOM 1492 C ALA A 92 -10.188 -16.581 2.548 1.00 0.00 C ATOM 1493 O ALA A 92 -10.601 -16.638 1.391 1.00 0.00 O ATOM 1494 CB ALA A 92 -8.804 -18.460 3.449 1.00 0.00 C ATOM 0 H ALA A 92 -7.705 -16.606 4.644 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.185 -17.033 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.276 -19.124 2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.785 -18.796 3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.371 -18.477 4.380 1.00 0.00 H new ATOM 1500 N GLU A 93 -10.922 -16.125 3.559 1.00 0.00 N ATOM 1501 CA GLU A 93 -12.287 -15.655 3.358 1.00 0.00 C ATOM 1502 C GLU A 93 -12.306 -14.373 2.531 1.00 0.00 C ATOM 1503 O GLU A 93 -13.176 -14.181 1.683 1.00 0.00 O ATOM 1504 CB GLU A 93 -12.970 -15.414 4.706 1.00 0.00 C ATOM 1505 CG GLU A 93 -14.355 -14.799 4.586 1.00 0.00 C ATOM 1506 CD GLU A 93 -15.450 -15.844 4.494 1.00 0.00 C ATOM 1507 OE1 GLU A 93 -15.152 -16.982 4.076 1.00 0.00 O ATOM 1508 OE2 GLU A 93 -16.607 -15.521 4.839 1.00 0.00 O ATOM 0 H GLU A 93 -10.594 -16.071 4.523 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.832 -16.426 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.048 -16.362 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.342 -14.759 5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.540 -14.159 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.390 -14.162 3.702 1.00 0.00 H new ATOM 1515 N GLY A 94 -11.337 -13.497 2.785 1.00 0.00 N ATOM 1516 CA GLY A 94 -11.260 -12.244 2.056 1.00 0.00 C ATOM 1517 C GLY A 94 -10.572 -12.396 0.714 1.00 0.00 C ATOM 1518 O GLY A 94 -9.786 -11.538 0.311 1.00 0.00 O ATOM 0 H GLY A 94 -10.605 -13.633 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.266 -11.854 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.721 -11.510 2.656 1.00 0.00 H new ATOM 1522 N LYS A 95 -10.865 -13.490 0.020 1.00 0.00 N ATOM 1523 CA LYS A 95 -10.269 -13.752 -1.284 1.00 0.00 C ATOM 1524 C LYS A 95 -11.295 -14.353 -2.240 1.00 0.00 C ATOM 1525 O LYS A 95 -11.765 -15.471 -2.038 1.00 0.00 O ATOM 1526 CB LYS A 95 -9.075 -14.698 -1.141 1.00 0.00 C ATOM 1527 CG LYS A 95 -7.758 -13.983 -0.893 1.00 0.00 C ATOM 1528 CD LYS A 95 -6.570 -14.888 -1.172 1.00 0.00 C ATOM 1529 CE LYS A 95 -6.467 -16.005 -0.145 1.00 0.00 C ATOM 1530 NZ LYS A 95 -5.171 -16.732 -0.244 1.00 0.00 N ATOM 0 H LYS A 95 -11.513 -14.210 0.339 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.926 -12.803 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.265 -15.387 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.988 -15.299 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.699 -13.098 -1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.719 -13.639 0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.664 -15.317 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.653 -14.299 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.574 -15.588 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.289 -16.707 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.140 -17.485 0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.080 -17.151 -1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.387 -16.068 -0.082 1.00 0.00 H new ATOM 1544 N MET A 96 -11.635 -13.602 -3.283 1.00 0.00 N ATOM 1545 CA MET A 96 -12.603 -14.063 -4.272 1.00 0.00 C ATOM 1546 C MET A 96 -12.275 -15.478 -4.736 1.00 0.00 C ATOM 1547 O MET A 96 -13.086 -16.392 -4.592 1.00 0.00 O ATOM 1548 CB MET A 96 -12.630 -13.113 -5.471 1.00 0.00 C ATOM 1549 CG MET A 96 -13.429 -11.843 -5.222 1.00 0.00 C ATOM 1550 SD MET A 96 -13.523 -10.786 -6.680 1.00 0.00 S ATOM 1551 CE MET A 96 -15.205 -11.094 -7.213 1.00 0.00 C ATOM 0 H MET A 96 -11.255 -12.673 -3.465 1.00 0.00 H new ATOM 0 HA MET A 96 -13.587 -14.073 -3.803 1.00 0.00 H new ATOM 0 HB2 MET A 96 -11.607 -12.843 -5.734 1.00 0.00 H new ATOM 0 HB3 MET A 96 -13.052 -13.636 -6.329 1.00 0.00 H new ATOM 0 HG2 MET A 96 -14.437 -12.109 -4.905 1.00 0.00 H new ATOM 0 HG3 MET A 96 -12.974 -11.286 -4.403 1.00 0.00 H new ATOM 0 HE1 MET A 96 -15.416 -10.509 -8.108 1.00 0.00 H new ATOM 0 HE2 MET A 96 -15.328 -12.154 -7.435 1.00 0.00 H new ATOM 0 HE3 MET A 96 -15.896 -10.806 -6.421 1.00 0.00 H new ATOM 1561 N ARG A 97 -11.081 -15.650 -5.295 1.00 0.00 N ATOM 1562 CA ARG A 97 -10.647 -16.954 -5.782 1.00 0.00 C ATOM 1563 C ARG A 97 -11.774 -17.657 -6.532 1.00 0.00 C ATOM 1564 O ARG A 97 -11.975 -18.862 -6.384 1.00 0.00 O ATOM 1565 CB ARG A 97 -10.173 -17.825 -4.617 1.00 0.00 C ATOM 1566 CG ARG A 97 -9.167 -18.890 -5.023 1.00 0.00 C ATOM 1567 CD ARG A 97 -8.289 -19.301 -3.852 1.00 0.00 C ATOM 1568 NE ARG A 97 -7.361 -20.370 -4.212 1.00 0.00 N ATOM 1569 CZ ARG A 97 -6.401 -20.812 -3.408 1.00 0.00 C ATOM 1570 NH1 ARG A 97 -6.243 -20.280 -2.203 1.00 0.00 N ATOM 1571 NH2 ARG A 97 -5.596 -21.788 -3.807 1.00 0.00 N ATOM 0 H ARG A 97 -10.398 -14.903 -5.422 1.00 0.00 H new ATOM 0 HA ARG A 97 -9.817 -16.799 -6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.726 -17.186 -3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.037 -18.308 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.695 -19.763 -5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.542 -18.513 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.727 -18.436 -3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.918 -19.630 -3.025 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.456 -20.801 -5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.860 -19.529 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.505 -20.622 -1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.714 -22.200 -4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.859 -22.126 -3.188 1.00 0.00 H new ATOM 1585 N GLY A 98 -12.507 -16.895 -7.338 1.00 0.00 N ATOM 1586 CA GLY A 98 -13.606 -17.462 -8.099 1.00 0.00 C ATOM 1587 C GLY A 98 -13.276 -17.609 -9.571 1.00 0.00 C ATOM 1588 O GLY A 98 -13.117 -16.616 -10.281 1.00 0.00 O ATOM 0 H GLY A 98 -12.360 -15.895 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.863 -18.438 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -14.486 -16.828 -7.988 1.00 0.00 H new ATOM 1592 N ALA A 99 -13.171 -18.852 -10.031 1.00 0.00 N ATOM 1593 CA ALA A 99 -12.859 -19.125 -11.428 1.00 0.00 C ATOM 1594 C ALA A 99 -14.051 -19.749 -12.146 1.00 0.00 C ATOM 1595 O ALA A 99 -14.232 -20.966 -12.125 1.00 0.00 O ATOM 1596 CB ALA A 99 -11.644 -20.036 -11.528 1.00 0.00 C ATOM 0 H ALA A 99 -13.297 -19.685 -9.456 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.631 -18.177 -11.916 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.422 -20.232 -12.577 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.787 -19.552 -11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.852 -20.977 -11.019 1.00 0.00 H new ATOM 1602 N ALA A 100 -14.861 -18.907 -12.779 1.00 0.00 N ATOM 1603 CA ALA A 100 -16.035 -19.377 -13.503 1.00 0.00 C ATOM 1604 C ALA A 100 -15.642 -20.332 -14.626 1.00 0.00 C ATOM 1605 O ALA A 100 -16.470 -21.100 -15.118 1.00 0.00 O ATOM 1606 CB ALA A 100 -16.818 -18.197 -14.061 1.00 0.00 C ATOM 0 H ALA A 100 -14.726 -17.896 -12.805 1.00 0.00 H new ATOM 0 HA ALA A 100 -16.669 -19.922 -12.803 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -17.692 -18.563 -14.599 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -17.139 -17.553 -13.242 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -16.184 -17.629 -14.742 1.00 0.00 H new TER 1612 ALA A 100