USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 961 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 99 MET CE :methyl 170:sc= -0.154 (180deg=-0.225) USER MOD Set 1.2: A 102 GLN : amide:sc= 0 X(o=0.096,f=0.25) USER MOD Set 1.3: A 104 MET CE :methyl 171:sc=-0.00705 (180deg=-0.152) USER MOD Set 1.4: A 115 HIS : no HD1:sc= -0.224 X(o=0.096,f=0.33) USER MOD Set 1.5: A 119 GLN : amide:sc= 0.482 K(o=0.096,f=-0.76) USER MOD Set 2.1: A 85 GLN : amide:sc= 1.8 K(o=2.9,f=-3.4!) USER MOD Set 2.2: A 125 SER OG : rot 27:sc= 1.14 USER MOD Set 3.1: A 56 ASN : amide:sc= 1.56 K(o=2.6,f=-1.6) USER MOD Set 3.2: A 105 LYS NZ :NH3+ 155:sc= 1.05 (180deg=0) USER MOD Set 4.1: A 21 TYR OH : rot 180:sc= -0.045 USER MOD Set 4.2: A 113 CYS SG : rot 83:sc= 0.129 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.0016) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0287 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 6 GLN : amide:sc= 1.79 K(o=1.8,f=-4.5!) USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00911) USER MOD Single : A 23 HIS : no HE2:sc= 0.167 K(o=0.17,f=-0.89) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.00511 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.285 K(o=-0.28,f=-1.2) USER MOD Single : A 40 SER OG : rot 5:sc= 0.473 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 68:sc= 0.639 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -165:sc= 1.25 USER MOD Single : A 52 SER OG : rot 180:sc= 0.00901 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 0.0297 (180deg=-0.0626) USER MOD Single : A 72 CYS SG : rot 93:sc= -0.54 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 1.56 K(o=1.6,f=-4.7!) USER MOD Single : A 78 ASN : amide:sc= 0.211 X(o=0.21,f=-0.2) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.533 K(o=0.53,f=-2!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 86:sc= 1.26 USER MOD Single : A 95 SER OG : rot -142:sc= 1.2 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0996 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.764 K(o=0.76,f=-0.15) USER MOD Single : A 118 THR OG1 : rot 73:sc= 1.32 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.038 -8.984 0.022 1.00 0.00 N ATOM 2 CA MET A 1 21.636 -9.451 0.262 1.00 0.00 C ATOM 3 C MET A 1 21.101 -8.925 1.602 1.00 0.00 C ATOM 4 O MET A 1 21.878 -8.665 2.525 1.00 0.00 O ATOM 5 CB MET A 1 21.503 -10.992 0.208 1.00 0.00 C ATOM 6 CG MET A 1 21.755 -11.580 -1.191 1.00 0.00 C ATOM 7 SD MET A 1 21.413 -13.361 -1.359 1.00 0.00 S ATOM 8 CE MET A 1 22.753 -14.068 -0.354 1.00 0.00 C ATOM 0 H1 MET A 1 23.047 -8.300 -0.762 1.00 0.00 H new ATOM 0 H2 MET A 1 23.405 -8.529 0.883 1.00 0.00 H new ATOM 0 H3 MET A 1 23.638 -9.798 -0.222 1.00 0.00 H new ATOM 0 HA MET A 1 21.034 -9.042 -0.550 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.208 -11.435 0.912 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.503 -11.274 0.538 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.140 -11.039 -1.911 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.795 -11.399 -1.461 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.688 -15.156 -0.374 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.715 -13.754 -0.758 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.660 -13.718 0.674 1.00 0.00 H new ATOM 20 N ALA A 2 19.774 -8.782 1.725 1.00 0.00 N ATOM 21 CA ALA A 2 19.082 -8.290 2.925 1.00 0.00 C ATOM 22 C ALA A 2 17.614 -8.762 2.980 1.00 0.00 C ATOM 23 O ALA A 2 17.019 -9.118 1.960 1.00 0.00 O ATOM 24 CB ALA A 2 19.171 -6.756 2.958 1.00 0.00 C ATOM 0 H ALA A 2 19.132 -9.013 0.967 1.00 0.00 H new ATOM 0 HA ALA A 2 19.572 -8.705 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 2 18.660 -6.381 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.218 -6.453 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.698 -6.345 2.066 1.00 0.00 H new ATOM 30 N SER A 3 17.022 -8.759 4.175 1.00 0.00 N ATOM 31 CA SER A 3 15.618 -9.148 4.401 1.00 0.00 C ATOM 32 C SER A 3 14.610 -8.100 3.872 1.00 0.00 C ATOM 33 O SER A 3 14.927 -6.901 3.847 1.00 0.00 O ATOM 34 CB SER A 3 15.371 -9.364 5.907 1.00 0.00 C ATOM 35 OG SER A 3 16.213 -10.386 6.428 1.00 0.00 O ATOM 0 H SER A 3 17.506 -8.483 5.029 1.00 0.00 H new ATOM 0 HA SER A 3 15.456 -10.072 3.845 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.551 -8.433 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.327 -9.631 6.072 1.00 0.00 H new ATOM 0 HG SER A 3 16.036 -10.500 7.385 1.00 0.00 H new ATOM 41 N PRO A 4 13.385 -8.515 3.477 1.00 0.00 N ATOM 42 CA PRO A 4 12.298 -7.603 3.130 1.00 0.00 C ATOM 43 C PRO A 4 11.678 -6.979 4.389 1.00 0.00 C ATOM 44 O PRO A 4 11.612 -7.610 5.446 1.00 0.00 O ATOM 45 CB PRO A 4 11.287 -8.456 2.359 1.00 0.00 C ATOM 46 CG PRO A 4 11.453 -9.837 2.988 1.00 0.00 C ATOM 47 CD PRO A 4 12.945 -9.896 3.319 1.00 0.00 C ATOM 0 HA PRO A 4 12.645 -6.762 2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.271 -8.080 2.474 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.503 -8.470 1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.838 -9.949 3.881 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.162 -10.630 2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.118 -10.466 4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.500 -10.392 2.523 1.00 0.00 H new ATOM 55 N HIS A 5 11.187 -5.743 4.264 1.00 0.00 N ATOM 56 CA HIS A 5 10.553 -4.971 5.343 1.00 0.00 C ATOM 57 C HIS A 5 9.426 -4.054 4.809 1.00 0.00 C ATOM 58 O HIS A 5 9.399 -3.696 3.625 1.00 0.00 O ATOM 59 CB HIS A 5 11.622 -4.135 6.079 1.00 0.00 C ATOM 60 CG HIS A 5 12.621 -4.940 6.878 1.00 0.00 C ATOM 61 ND1 HIS A 5 12.406 -5.528 8.105 1.00 0.00 N ATOM 62 CD2 HIS A 5 13.925 -5.192 6.538 1.00 0.00 C ATOM 63 CE1 HIS A 5 13.547 -6.123 8.490 1.00 0.00 C ATOM 64 NE2 HIS A 5 14.511 -5.947 7.565 1.00 0.00 N ATOM 0 H HIS A 5 11.220 -5.233 3.381 1.00 0.00 H new ATOM 0 HA HIS A 5 10.096 -5.675 6.039 1.00 0.00 H new ATOM 0 HB2 HIS A 5 12.163 -3.537 5.346 1.00 0.00 H new ATOM 0 HB3 HIS A 5 11.119 -3.438 6.750 1.00 0.00 H new ATOM 0 HD2 HIS A 5 14.417 -4.865 5.634 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.674 -6.668 9.414 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.470 -6.292 7.604 1.00 0.00 H new ATOM 72 N GLN A 6 8.514 -3.636 5.696 1.00 0.00 N ATOM 73 CA GLN A 6 7.393 -2.725 5.419 1.00 0.00 C ATOM 74 C GLN A 6 6.864 -2.107 6.731 1.00 0.00 C ATOM 75 O GLN A 6 7.296 -2.490 7.823 1.00 0.00 O ATOM 76 CB GLN A 6 6.281 -3.459 4.632 1.00 0.00 C ATOM 77 CG GLN A 6 5.600 -4.601 5.417 1.00 0.00 C ATOM 78 CD GLN A 6 4.490 -5.305 4.630 1.00 0.00 C ATOM 79 OE1 GLN A 6 4.104 -4.925 3.531 1.00 0.00 O ATOM 80 NE2 GLN A 6 3.917 -6.361 5.168 1.00 0.00 N ATOM 0 H GLN A 6 8.537 -3.936 6.670 1.00 0.00 H new ATOM 0 HA GLN A 6 7.746 -1.906 4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.523 -2.735 4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.708 -3.867 3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.354 -5.335 5.703 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.181 -4.198 6.339 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.221 -6.696 6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.169 -6.844 4.671 1.00 0.00 H new ATOM 89 N GLU A 7 5.908 -1.175 6.633 1.00 0.00 N ATOM 90 CA GLU A 7 5.257 -0.532 7.785 1.00 0.00 C ATOM 91 C GLU A 7 3.842 -0.025 7.442 1.00 0.00 C ATOM 92 O GLU A 7 3.662 0.607 6.392 1.00 0.00 O ATOM 93 CB GLU A 7 6.109 0.633 8.343 1.00 0.00 C ATOM 94 CG GLU A 7 6.660 1.614 7.296 1.00 0.00 C ATOM 95 CD GLU A 7 7.447 2.748 7.965 1.00 0.00 C ATOM 96 OE1 GLU A 7 8.650 2.560 8.268 1.00 0.00 O ATOM 97 OE2 GLU A 7 6.872 3.842 8.178 1.00 0.00 O ATOM 0 H GLU A 7 5.558 -0.839 5.736 1.00 0.00 H new ATOM 0 HA GLU A 7 5.167 -1.300 8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.504 1.193 9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.948 0.213 8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.306 1.081 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.837 2.031 6.715 1.00 0.00 H new ATOM 104 N PRO A 8 2.836 -0.268 8.308 1.00 0.00 N ATOM 105 CA PRO A 8 1.520 0.346 8.197 1.00 0.00 C ATOM 106 C PRO A 8 1.559 1.758 8.797 1.00 0.00 C ATOM 107 O PRO A 8 2.399 2.069 9.641 1.00 0.00 O ATOM 108 CB PRO A 8 0.573 -0.579 8.964 1.00 0.00 C ATOM 109 CG PRO A 8 1.467 -1.103 10.079 1.00 0.00 C ATOM 110 CD PRO A 8 2.862 -1.165 9.457 1.00 0.00 C ATOM 0 HA PRO A 8 1.189 0.459 7.164 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.292 -0.043 9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.192 -1.384 8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.448 -0.442 10.946 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.141 -2.086 10.420 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.622 -0.856 10.175 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.107 -2.182 9.151 1.00 0.00 H new ATOM 118 N LYS A 9 0.645 2.625 8.354 1.00 0.00 N ATOM 119 CA LYS A 9 0.569 4.031 8.785 1.00 0.00 C ATOM 120 C LYS A 9 -0.559 4.260 9.813 1.00 0.00 C ATOM 121 O LYS A 9 -1.552 3.525 9.810 1.00 0.00 O ATOM 122 CB LYS A 9 0.443 4.926 7.535 1.00 0.00 C ATOM 123 CG LYS A 9 1.805 5.382 6.972 1.00 0.00 C ATOM 124 CD LYS A 9 2.847 4.257 6.802 1.00 0.00 C ATOM 125 CE LYS A 9 4.124 4.746 6.093 1.00 0.00 C ATOM 126 NZ LYS A 9 3.915 5.028 4.645 1.00 0.00 N ATOM 0 H LYS A 9 -0.074 2.371 7.677 1.00 0.00 H new ATOM 0 HA LYS A 9 1.484 4.303 9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.099 4.383 6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.152 5.805 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.641 5.855 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.219 6.144 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.109 3.856 7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.407 3.440 6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.483 5.650 6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.904 3.993 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.822 5.288 4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.535 4.180 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.242 5.813 4.538 1.00 0.00 H new ATOM 140 N PRO A 10 -0.412 5.255 10.715 1.00 0.00 N ATOM 141 CA PRO A 10 -1.302 5.420 11.856 1.00 0.00 C ATOM 142 C PRO A 10 -2.710 5.829 11.410 1.00 0.00 C ATOM 143 O PRO A 10 -2.883 6.639 10.500 1.00 0.00 O ATOM 144 CB PRO A 10 -0.597 6.401 12.800 1.00 0.00 C ATOM 145 CG PRO A 10 0.233 7.252 11.844 1.00 0.00 C ATOM 146 CD PRO A 10 0.660 6.243 10.778 1.00 0.00 C ATOM 0 HA PRO A 10 -1.481 4.489 12.394 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.310 7.004 13.363 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.028 5.884 13.528 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.351 8.068 11.418 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.092 7.701 12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.801 6.730 9.813 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.609 5.775 11.040 1.00 0.00 H new ATOM 154 N GLY A 11 -3.709 5.196 12.035 1.00 0.00 N ATOM 155 CA GLY A 11 -5.136 5.318 11.717 1.00 0.00 C ATOM 156 C GLY A 11 -5.612 4.425 10.573 1.00 0.00 C ATOM 157 O GLY A 11 -6.813 4.388 10.320 1.00 0.00 O ATOM 0 H GLY A 11 -3.537 4.556 12.811 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.715 5.082 12.610 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.351 6.356 11.463 1.00 0.00 H new ATOM 161 N ASP A 12 -4.711 3.731 9.869 1.00 0.00 N ATOM 162 CA ASP A 12 -5.028 3.016 8.624 1.00 0.00 C ATOM 163 C ASP A 12 -5.367 1.520 8.808 1.00 0.00 C ATOM 164 O ASP A 12 -5.133 0.930 9.872 1.00 0.00 O ATOM 165 CB ASP A 12 -3.915 3.244 7.583 1.00 0.00 C ATOM 166 CG ASP A 12 -4.453 3.468 6.160 1.00 0.00 C ATOM 167 OD1 ASP A 12 -5.640 3.156 5.885 1.00 0.00 O ATOM 168 OD2 ASP A 12 -3.693 4.016 5.331 1.00 0.00 O ATOM 0 H ASP A 12 -3.733 3.648 10.148 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.956 3.448 8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.320 4.108 7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.247 2.383 7.580 1.00 0.00 H new ATOM 173 N LEU A 13 -5.942 0.927 7.749 1.00 0.00 N ATOM 174 CA LEU A 13 -6.499 -0.435 7.727 1.00 0.00 C ATOM 175 C LEU A 13 -5.448 -1.472 7.358 1.00 0.00 C ATOM 176 O LEU A 13 -4.977 -1.503 6.225 1.00 0.00 O ATOM 177 CB LEU A 13 -7.651 -0.537 6.708 1.00 0.00 C ATOM 178 CG LEU A 13 -8.846 0.381 6.975 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.929 0.129 5.919 1.00 0.00 C ATOM 180 CD2 LEU A 13 -9.405 0.158 8.388 1.00 0.00 C ATOM 0 H LEU A 13 -6.035 1.401 6.851 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.864 -0.637 8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.257 -0.314 5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.004 -1.568 6.686 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.516 1.418 6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.781 0.782 6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.526 0.336 4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.251 -0.911 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.253 0.822 8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.729 -0.877 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.629 0.371 9.124 1.00 0.00 H new ATOM 192 N ILE A 14 -5.147 -2.372 8.285 1.00 0.00 N ATOM 193 CA ILE A 14 -4.162 -3.445 8.097 1.00 0.00 C ATOM 194 C ILE A 14 -4.896 -4.755 7.779 1.00 0.00 C ATOM 195 O ILE A 14 -5.711 -5.220 8.574 1.00 0.00 O ATOM 196 CB ILE A 14 -3.254 -3.604 9.338 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.929 -2.271 10.053 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.966 -4.331 8.900 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.083 -2.471 11.311 1.00 0.00 C ATOM 0 H ILE A 14 -5.584 -2.383 9.206 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.513 -3.184 7.261 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.797 -4.189 10.080 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.399 -1.613 9.364 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.859 -1.770 10.321 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.308 -4.455 9.760 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.221 -5.310 8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.458 -3.742 8.136 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.884 -1.504 11.773 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.622 -3.106 12.015 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.139 -2.946 11.043 1.00 0.00 H new ATOM 211 N GLU A 15 -4.591 -5.344 6.626 1.00 0.00 N ATOM 212 CA GLU A 15 -5.146 -6.592 6.114 1.00 0.00 C ATOM 213 C GLU A 15 -4.138 -7.719 6.408 1.00 0.00 C ATOM 214 O GLU A 15 -3.093 -7.803 5.761 1.00 0.00 O ATOM 215 CB GLU A 15 -5.375 -6.387 4.602 1.00 0.00 C ATOM 216 CG GLU A 15 -6.274 -7.433 3.945 1.00 0.00 C ATOM 217 CD GLU A 15 -6.305 -7.216 2.421 1.00 0.00 C ATOM 218 OE1 GLU A 15 -6.908 -6.221 1.948 1.00 0.00 O ATOM 219 OE2 GLU A 15 -5.711 -8.040 1.683 1.00 0.00 O ATOM 0 H GLU A 15 -3.909 -4.938 5.986 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.092 -6.866 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.813 -5.401 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.408 -6.390 4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.907 -8.434 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.283 -7.364 4.351 1.00 0.00 H new ATOM 226 N ILE A 16 -4.406 -8.552 7.422 1.00 0.00 N ATOM 227 CA ILE A 16 -3.461 -9.560 7.951 1.00 0.00 C ATOM 228 C ILE A 16 -3.982 -10.965 7.630 1.00 0.00 C ATOM 229 O ILE A 16 -5.048 -11.350 8.101 1.00 0.00 O ATOM 230 CB ILE A 16 -3.279 -9.355 9.481 1.00 0.00 C ATOM 231 CG1 ILE A 16 -2.809 -7.917 9.823 1.00 0.00 C ATOM 232 CG2 ILE A 16 -2.291 -10.396 10.047 1.00 0.00 C ATOM 233 CD1 ILE A 16 -2.818 -7.574 11.318 1.00 0.00 C ATOM 0 H ILE A 16 -5.301 -8.549 7.911 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.486 -9.443 7.479 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.253 -9.497 9.949 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.798 -7.780 9.440 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.448 -7.207 9.298 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.173 -10.240 11.119 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.676 -11.399 9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.324 -10.285 9.556 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.474 -6.549 11.458 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.831 -7.673 11.708 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.155 -8.255 11.852 1.00 0.00 H new ATOM 245 N PHE A 17 -3.238 -11.771 6.871 1.00 0.00 N ATOM 246 CA PHE A 17 -3.638 -13.134 6.500 1.00 0.00 C ATOM 247 C PHE A 17 -3.329 -14.126 7.643 1.00 0.00 C ATOM 248 O PHE A 17 -2.512 -15.038 7.507 1.00 0.00 O ATOM 249 CB PHE A 17 -2.987 -13.491 5.152 1.00 0.00 C ATOM 250 CG PHE A 17 -3.605 -14.702 4.473 1.00 0.00 C ATOM 251 CD1 PHE A 17 -4.874 -14.592 3.875 1.00 0.00 C ATOM 252 CD2 PHE A 17 -2.916 -15.930 4.420 1.00 0.00 C ATOM 253 CE1 PHE A 17 -5.451 -15.697 3.225 1.00 0.00 C ATOM 254 CE2 PHE A 17 -3.492 -17.037 3.767 1.00 0.00 C ATOM 255 CZ PHE A 17 -4.758 -16.918 3.163 1.00 0.00 C ATOM 0 H PHE A 17 -2.332 -11.496 6.492 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.717 -13.199 6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.064 -12.633 4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.925 -13.678 5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.407 -13.654 3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.944 -16.023 4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.428 -15.607 2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.962 -17.977 3.730 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.196 -17.763 2.653 1.00 0.00 H new ATOM 265 N ARG A 18 -3.969 -13.911 8.801 1.00 0.00 N ATOM 266 CA ARG A 18 -3.653 -14.591 10.071 1.00 0.00 C ATOM 267 C ARG A 18 -3.936 -16.104 10.100 1.00 0.00 C ATOM 268 O ARG A 18 -3.277 -16.830 10.845 1.00 0.00 O ATOM 269 CB ARG A 18 -4.344 -13.862 11.246 1.00 0.00 C ATOM 270 CG ARG A 18 -3.368 -13.500 12.380 1.00 0.00 C ATOM 271 CD ARG A 18 -2.671 -14.700 13.047 1.00 0.00 C ATOM 272 NE ARG A 18 -1.788 -14.268 14.144 1.00 0.00 N ATOM 273 CZ ARG A 18 -0.976 -15.039 14.858 1.00 0.00 C ATOM 274 NH1 ARG A 18 -0.904 -16.338 14.659 1.00 0.00 N ATOM 275 NH2 ARG A 18 -0.217 -14.510 15.796 1.00 0.00 N ATOM 0 H ARG A 18 -4.738 -13.246 8.886 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.570 -14.527 10.176 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.817 -12.952 10.876 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.138 -14.495 11.644 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.605 -12.831 11.982 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.912 -12.945 13.144 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.421 -15.390 13.432 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.090 -15.244 12.303 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.802 -13.276 14.379 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.481 -16.777 13.941 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.271 -16.906 15.222 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.252 -13.506 15.975 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.406 -15.104 16.343 1.00 0.00 H new ATOM 289 N LEU A 19 -4.939 -16.579 9.348 1.00 0.00 N ATOM 290 CA LEU A 19 -5.554 -17.902 9.584 1.00 0.00 C ATOM 291 C LEU A 19 -6.282 -18.500 8.360 1.00 0.00 C ATOM 292 O LEU A 19 -7.305 -19.174 8.496 1.00 0.00 O ATOM 293 CB LEU A 19 -6.373 -17.839 10.901 1.00 0.00 C ATOM 294 CG LEU A 19 -7.389 -16.687 11.083 1.00 0.00 C ATOM 295 CD1 LEU A 19 -8.460 -16.621 9.994 1.00 0.00 C ATOM 296 CD2 LEU A 19 -8.061 -16.801 12.459 1.00 0.00 C ATOM 0 H LEU A 19 -5.347 -16.067 8.566 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.767 -18.643 9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.916 -18.779 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.666 -17.792 11.729 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.816 -15.763 11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.132 -15.787 10.195 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.984 -16.478 9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.028 -17.551 9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.776 -15.988 12.583 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.581 -17.756 12.532 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.303 -16.740 13.240 1.00 0.00 H new ATOM 308 N GLY A 20 -5.759 -18.235 7.155 1.00 0.00 N ATOM 309 CA GLY A 20 -6.370 -18.651 5.874 1.00 0.00 C ATOM 310 C GLY A 20 -7.434 -17.673 5.358 1.00 0.00 C ATOM 311 O GLY A 20 -8.218 -18.017 4.473 1.00 0.00 O ATOM 0 H GLY A 20 -4.888 -17.719 7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.587 -18.753 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.822 -19.635 5.999 1.00 0.00 H new ATOM 315 N TYR A 21 -7.467 -16.465 5.924 1.00 0.00 N ATOM 316 CA TYR A 21 -8.467 -15.414 5.721 1.00 0.00 C ATOM 317 C TYR A 21 -7.935 -14.067 6.247 1.00 0.00 C ATOM 318 O TYR A 21 -7.132 -14.033 7.189 1.00 0.00 O ATOM 319 CB TYR A 21 -9.768 -15.822 6.436 1.00 0.00 C ATOM 320 CG TYR A 21 -10.819 -14.735 6.572 1.00 0.00 C ATOM 321 CD1 TYR A 21 -11.512 -14.272 5.437 1.00 0.00 C ATOM 322 CD2 TYR A 21 -11.099 -14.186 7.838 1.00 0.00 C ATOM 323 CE1 TYR A 21 -12.475 -13.253 5.564 1.00 0.00 C ATOM 324 CE2 TYR A 21 -12.067 -13.175 7.976 1.00 0.00 C ATOM 325 CZ TYR A 21 -12.757 -12.702 6.836 1.00 0.00 C ATOM 326 OH TYR A 21 -13.692 -11.722 6.960 1.00 0.00 O ATOM 0 H TYR A 21 -6.745 -16.175 6.583 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.673 -15.292 4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.208 -16.661 5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.514 -16.182 7.433 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.304 -14.699 4.467 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.568 -14.543 8.708 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.998 -12.892 4.691 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.283 -12.761 8.950 1.00 0.00 H new ATOM 0 HH TYR A 21 -13.764 -11.456 7.900 1.00 0.00 H new ATOM 336 N GLU A 22 -8.357 -12.966 5.628 1.00 0.00 N ATOM 337 CA GLU A 22 -7.937 -11.608 5.951 1.00 0.00 C ATOM 338 C GLU A 22 -8.584 -11.117 7.256 1.00 0.00 C ATOM 339 O GLU A 22 -9.766 -10.778 7.318 1.00 0.00 O ATOM 340 CB GLU A 22 -8.259 -10.652 4.791 1.00 0.00 C ATOM 341 CG GLU A 22 -7.484 -10.968 3.500 1.00 0.00 C ATOM 342 CD GLU A 22 -8.021 -12.159 2.675 1.00 0.00 C ATOM 343 OE1 GLU A 22 -9.122 -12.691 2.957 1.00 0.00 O ATOM 344 OE2 GLU A 22 -7.327 -12.570 1.715 1.00 0.00 O ATOM 0 H GLU A 22 -9.026 -12.999 4.859 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.857 -11.619 6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.328 -10.694 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.034 -9.631 5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.488 -10.080 2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.445 -11.169 3.761 1.00 0.00 H new ATOM 351 N HIS A 23 -7.775 -11.057 8.306 1.00 0.00 N ATOM 352 CA HIS A 23 -8.099 -10.484 9.604 1.00 0.00 C ATOM 353 C HIS A 23 -7.796 -8.971 9.583 1.00 0.00 C ATOM 354 O HIS A 23 -6.680 -8.561 9.255 1.00 0.00 O ATOM 355 CB HIS A 23 -7.247 -11.228 10.647 1.00 0.00 C ATOM 356 CG HIS A 23 -7.631 -11.043 12.095 1.00 0.00 C ATOM 357 ND1 HIS A 23 -7.869 -9.861 12.764 1.00 0.00 N ATOM 358 CD2 HIS A 23 -7.724 -12.052 13.019 1.00 0.00 C ATOM 359 CE1 HIS A 23 -8.110 -10.162 14.052 1.00 0.00 C ATOM 360 NE2 HIS A 23 -8.024 -11.488 14.264 1.00 0.00 N ATOM 0 H HIS A 23 -6.825 -11.427 8.272 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.155 -10.596 9.851 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.284 -12.293 10.419 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.211 -10.912 10.527 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -7.863 -8.926 12.355 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.589 -13.105 12.819 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.342 -9.435 14.816 1.00 0.00 H new ATOM 368 N TRP A 24 -8.770 -8.132 9.952 1.00 0.00 N ATOM 369 CA TRP A 24 -8.577 -6.680 10.004 1.00 0.00 C ATOM 370 C TRP A 24 -7.908 -6.216 11.301 1.00 0.00 C ATOM 371 O TRP A 24 -8.125 -6.791 12.371 1.00 0.00 O ATOM 372 CB TRP A 24 -9.918 -5.956 9.824 1.00 0.00 C ATOM 373 CG TRP A 24 -10.462 -5.950 8.431 1.00 0.00 C ATOM 374 CD1 TRP A 24 -11.689 -6.371 8.061 1.00 0.00 C ATOM 375 CD2 TRP A 24 -9.844 -5.444 7.209 1.00 0.00 C ATOM 376 NE1 TRP A 24 -11.835 -6.267 6.694 1.00 0.00 N ATOM 377 CE2 TRP A 24 -10.725 -5.699 6.115 1.00 0.00 C ATOM 378 CE3 TRP A 24 -8.637 -4.775 6.918 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -10.396 -5.368 4.795 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -8.304 -4.423 5.598 1.00 0.00 C ATOM 381 CH2 TRP A 24 -9.172 -4.737 4.537 1.00 0.00 C ATOM 0 H TRP A 24 -9.706 -8.437 10.221 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.905 -6.425 9.184 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.653 -6.420 10.481 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.802 -4.924 10.155 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.447 -6.737 8.738 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.661 -6.572 6.178 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -7.958 -4.529 7.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.076 -5.596 3.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.376 -3.908 5.398 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.895 -4.492 3.522 1.00 0.00 H new ATOM 392 N ALA A 25 -7.162 -5.115 11.197 1.00 0.00 N ATOM 393 CA ALA A 25 -6.613 -4.363 12.322 1.00 0.00 C ATOM 394 C ALA A 25 -6.451 -2.870 11.977 1.00 0.00 C ATOM 395 O ALA A 25 -6.412 -2.493 10.804 1.00 0.00 O ATOM 396 CB ALA A 25 -5.302 -5.018 12.786 1.00 0.00 C ATOM 0 H ALA A 25 -6.916 -4.710 10.294 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.314 -4.397 13.156 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.892 -4.457 13.626 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.498 -6.044 13.097 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.585 -5.018 11.965 1.00 0.00 H new ATOM 402 N LEU A 26 -6.363 -2.027 13.007 1.00 0.00 N ATOM 403 CA LEU A 26 -6.283 -0.566 12.924 1.00 0.00 C ATOM 404 C LEU A 26 -5.032 -0.105 13.678 1.00 0.00 C ATOM 405 O LEU A 26 -4.909 -0.388 14.870 1.00 0.00 O ATOM 406 CB LEU A 26 -7.579 -0.016 13.565 1.00 0.00 C ATOM 407 CG LEU A 26 -7.982 1.442 13.265 1.00 0.00 C ATOM 408 CD1 LEU A 26 -6.914 2.484 13.623 1.00 0.00 C ATOM 409 CD2 LEU A 26 -8.397 1.601 11.796 1.00 0.00 C ATOM 0 H LEU A 26 -6.345 -2.361 13.971 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.203 -0.204 11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.402 -0.659 13.254 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.485 -0.119 14.646 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.831 1.643 13.919 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.282 3.481 13.379 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.695 2.429 14.689 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.005 2.284 13.055 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.677 2.637 11.607 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.562 1.327 11.150 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.247 0.951 11.586 1.00 0.00 H new ATOM 421 N TYR A 27 -4.108 0.598 13.018 1.00 0.00 N ATOM 422 CA TYR A 27 -2.841 1.036 13.633 1.00 0.00 C ATOM 423 C TYR A 27 -3.036 2.254 14.566 1.00 0.00 C ATOM 424 O TYR A 27 -2.983 3.402 14.125 1.00 0.00 O ATOM 425 CB TYR A 27 -1.810 1.291 12.512 1.00 0.00 C ATOM 426 CG TYR A 27 -0.341 1.132 12.888 1.00 0.00 C ATOM 427 CD1 TYR A 27 0.141 -0.103 13.368 1.00 0.00 C ATOM 428 CD2 TYR A 27 0.578 2.175 12.645 1.00 0.00 C ATOM 429 CE1 TYR A 27 1.521 -0.301 13.573 1.00 0.00 C ATOM 430 CE2 TYR A 27 1.959 1.982 12.832 1.00 0.00 C ATOM 431 CZ TYR A 27 2.437 0.732 13.274 1.00 0.00 C ATOM 432 OH TYR A 27 3.776 0.513 13.387 1.00 0.00 O ATOM 0 H TYR A 27 -4.212 0.882 12.044 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.459 0.248 14.282 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.027 0.611 11.688 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.958 2.303 12.136 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.553 -0.903 13.580 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.216 3.136 12.310 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.879 -1.244 13.959 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.650 2.789 12.638 1.00 0.00 H new ATOM 0 HH TYR A 27 4.263 1.328 13.142 1.00 0.00 H new ATOM 442 N ILE A 28 -3.299 2.034 15.861 1.00 0.00 N ATOM 443 CA ILE A 28 -3.578 3.123 16.833 1.00 0.00 C ATOM 444 C ILE A 28 -2.331 3.826 17.390 1.00 0.00 C ATOM 445 O ILE A 28 -2.442 4.934 17.918 1.00 0.00 O ATOM 446 CB ILE A 28 -4.466 2.646 18.005 1.00 0.00 C ATOM 447 CG1 ILE A 28 -3.885 1.421 18.746 1.00 0.00 C ATOM 448 CG2 ILE A 28 -5.894 2.398 17.496 1.00 0.00 C ATOM 449 CD1 ILE A 28 -4.418 1.285 20.177 1.00 0.00 C ATOM 0 H ILE A 28 -3.327 1.101 16.273 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.117 3.863 16.241 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.492 3.438 18.753 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.124 0.517 18.187 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.798 1.501 18.774 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.521 2.062 18.322 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.300 3.323 17.086 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.876 1.634 16.719 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.975 0.407 20.648 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.156 2.175 20.749 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.502 1.176 20.153 1.00 0.00 H new ATOM 461 N GLY A 29 -1.158 3.202 17.279 1.00 0.00 N ATOM 462 CA GLY A 29 0.124 3.760 17.717 1.00 0.00 C ATOM 463 C GLY A 29 1.293 3.115 16.991 1.00 0.00 C ATOM 464 O GLY A 29 1.094 2.268 16.122 1.00 0.00 O ATOM 0 H GLY A 29 -1.070 2.271 16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.133 4.835 17.539 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.237 3.614 18.791 1.00 0.00 H new ATOM 468 N ASP A 30 2.515 3.495 17.359 1.00 0.00 N ATOM 469 CA ASP A 30 3.736 2.967 16.746 1.00 0.00 C ATOM 470 C ASP A 30 3.969 1.496 17.153 1.00 0.00 C ATOM 471 O ASP A 30 4.589 1.190 18.178 1.00 0.00 O ATOM 472 CB ASP A 30 4.926 3.869 17.106 1.00 0.00 C ATOM 473 CG ASP A 30 6.241 3.382 16.473 1.00 0.00 C ATOM 474 OD1 ASP A 30 6.251 3.060 15.261 1.00 0.00 O ATOM 475 OD2 ASP A 30 7.273 3.349 17.188 1.00 0.00 O ATOM 0 H ASP A 30 2.689 4.181 18.094 1.00 0.00 H new ATOM 0 HA ASP A 30 3.627 2.973 15.661 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.721 4.887 16.774 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.038 3.903 18.190 1.00 0.00 H new ATOM 480 N GLY A 31 3.418 0.584 16.349 1.00 0.00 N ATOM 481 CA GLY A 31 3.397 -0.863 16.565 1.00 0.00 C ATOM 482 C GLY A 31 2.167 -1.368 17.321 1.00 0.00 C ATOM 483 O GLY A 31 2.028 -2.574 17.474 1.00 0.00 O ATOM 0 H GLY A 31 2.949 0.850 15.483 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.446 -1.364 15.598 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.292 -1.149 17.118 1.00 0.00 H new ATOM 487 N TYR A 32 1.270 -0.492 17.785 1.00 0.00 N ATOM 488 CA TYR A 32 0.068 -0.844 18.562 1.00 0.00 C ATOM 489 C TYR A 32 -1.198 -0.897 17.687 1.00 0.00 C ATOM 490 O TYR A 32 -1.401 -0.021 16.846 1.00 0.00 O ATOM 491 CB TYR A 32 -0.112 0.166 19.706 1.00 0.00 C ATOM 492 CG TYR A 32 1.006 0.150 20.733 1.00 0.00 C ATOM 493 CD1 TYR A 32 0.992 -0.804 21.769 1.00 0.00 C ATOM 494 CD2 TYR A 32 2.060 1.084 20.654 1.00 0.00 C ATOM 495 CE1 TYR A 32 2.022 -0.824 22.728 1.00 0.00 C ATOM 496 CE2 TYR A 32 3.091 1.075 21.615 1.00 0.00 C ATOM 497 CZ TYR A 32 3.072 0.119 22.658 1.00 0.00 C ATOM 498 OH TYR A 32 4.071 0.092 23.583 1.00 0.00 O ATOM 0 H TYR A 32 1.359 0.512 17.628 1.00 0.00 H new ATOM 0 HA TYR A 32 0.212 -1.845 18.970 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.187 1.168 19.283 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.056 -0.038 20.211 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.188 -1.523 21.828 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.077 1.809 19.854 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.010 -1.561 23.518 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.893 1.796 21.555 1.00 0.00 H new ATOM 0 HH TYR A 32 4.714 0.806 23.391 1.00 0.00 H new ATOM 508 N VAL A 33 -2.069 -1.891 17.898 1.00 0.00 N ATOM 509 CA VAL A 33 -3.244 -2.145 17.042 1.00 0.00 C ATOM 510 C VAL A 33 -4.518 -2.512 17.810 1.00 0.00 C ATOM 511 O VAL A 33 -4.470 -3.082 18.897 1.00 0.00 O ATOM 512 CB VAL A 33 -2.983 -3.257 15.993 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.981 -2.820 14.920 1.00 0.00 C ATOM 514 CG2 VAL A 33 -2.489 -4.578 16.601 1.00 0.00 C ATOM 0 H VAL A 33 -1.981 -2.549 18.672 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.406 -1.187 16.548 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.961 -3.429 15.543 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.832 -3.633 14.209 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.367 -1.946 14.396 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.030 -2.570 15.390 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.329 -5.307 15.806 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.552 -4.407 17.131 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.235 -4.959 17.298 1.00 0.00 H new ATOM 524 N ILE A 34 -5.661 -2.203 17.192 1.00 0.00 N ATOM 525 CA ILE A 34 -7.016 -2.644 17.584 1.00 0.00 C ATOM 526 C ILE A 34 -7.491 -3.621 16.503 1.00 0.00 C ATOM 527 O ILE A 34 -7.246 -3.381 15.324 1.00 0.00 O ATOM 528 CB ILE A 34 -7.968 -1.433 17.706 1.00 0.00 C ATOM 529 CG1 ILE A 34 -7.494 -0.431 18.777 1.00 0.00 C ATOM 530 CG2 ILE A 34 -9.427 -1.856 17.965 1.00 0.00 C ATOM 531 CD1 ILE A 34 -7.532 -0.904 20.233 1.00 0.00 C ATOM 0 H ILE A 34 -5.675 -1.609 16.363 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.006 -3.130 18.559 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.939 -0.930 16.739 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.470 -0.141 18.541 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.106 0.467 18.696 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.055 -0.968 18.043 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.777 -2.477 17.141 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.482 -2.422 18.895 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.174 -0.107 20.884 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.555 -1.162 20.505 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.894 -1.780 20.348 1.00 0.00 H new ATOM 543 N HIS A 35 -8.154 -4.717 16.860 1.00 0.00 N ATOM 544 CA HIS A 35 -8.445 -5.810 15.919 1.00 0.00 C ATOM 545 C HIS A 35 -9.640 -6.676 16.372 1.00 0.00 C ATOM 546 O HIS A 35 -9.712 -7.066 17.536 1.00 0.00 O ATOM 547 CB HIS A 35 -7.158 -6.652 15.759 1.00 0.00 C ATOM 548 CG HIS A 35 -6.586 -7.171 17.062 1.00 0.00 C ATOM 549 ND1 HIS A 35 -6.739 -8.434 17.595 1.00 0.00 N ATOM 550 CD2 HIS A 35 -5.850 -6.450 17.964 1.00 0.00 C ATOM 551 CE1 HIS A 35 -6.116 -8.463 18.786 1.00 0.00 C ATOM 552 NE2 HIS A 35 -5.565 -7.266 19.061 1.00 0.00 N ATOM 0 H HIS A 35 -8.506 -4.879 17.804 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.742 -5.390 14.958 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.371 -7.499 15.106 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.402 -6.047 15.259 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.238 -9.211 17.161 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.541 -5.422 17.847 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.065 -9.327 19.432 1.00 0.00 H new ATOM 560 N LEU A 36 -10.569 -7.007 15.465 1.00 0.00 N ATOM 561 CA LEU A 36 -11.714 -7.877 15.763 1.00 0.00 C ATOM 562 C LEU A 36 -11.319 -9.351 15.596 1.00 0.00 C ATOM 563 O LEU A 36 -11.101 -9.803 14.472 1.00 0.00 O ATOM 564 CB LEU A 36 -12.894 -7.514 14.843 1.00 0.00 C ATOM 565 CG LEU A 36 -14.176 -8.319 15.145 1.00 0.00 C ATOM 566 CD1 LEU A 36 -14.955 -7.679 16.299 1.00 0.00 C ATOM 567 CD2 LEU A 36 -15.078 -8.398 13.913 1.00 0.00 C ATOM 0 H LEU A 36 -10.547 -6.677 14.500 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.022 -7.727 16.798 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.110 -6.450 14.943 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.603 -7.684 13.806 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.872 -9.327 15.427 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.855 -8.261 16.497 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.331 -7.660 17.193 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.233 -6.660 16.029 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.974 -8.971 14.154 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.362 -7.392 13.605 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.542 -8.888 13.100 1.00 0.00 H new ATOM 579 N ALA A 37 -11.291 -10.115 16.688 1.00 0.00 N ATOM 580 CA ALA A 37 -11.146 -11.570 16.629 1.00 0.00 C ATOM 581 C ALA A 37 -12.444 -12.190 16.056 1.00 0.00 C ATOM 582 O ALA A 37 -13.503 -11.952 16.648 1.00 0.00 O ATOM 583 CB ALA A 37 -10.819 -12.100 18.032 1.00 0.00 C ATOM 0 H ALA A 37 -11.368 -9.745 17.635 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.326 -11.851 15.968 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.710 -13.184 17.995 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.888 -11.653 18.382 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.626 -11.840 18.717 1.00 0.00 H new ATOM 589 N PRO A 38 -12.400 -12.933 14.927 1.00 0.00 N ATOM 590 CA PRO A 38 -13.592 -13.380 14.202 1.00 0.00 C ATOM 591 C PRO A 38 -14.346 -14.515 14.926 1.00 0.00 C ATOM 592 O PRO A 38 -13.756 -15.195 15.774 1.00 0.00 O ATOM 593 CB PRO A 38 -13.084 -13.822 12.822 1.00 0.00 C ATOM 594 CG PRO A 38 -11.653 -14.276 13.102 1.00 0.00 C ATOM 595 CD PRO A 38 -11.201 -13.301 14.186 1.00 0.00 C ATOM 0 HA PRO A 38 -14.325 -12.577 14.129 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.689 -14.630 12.411 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.113 -13.004 12.102 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.615 -15.310 13.445 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.026 -14.213 12.213 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.464 -13.763 14.843 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.730 -12.422 13.747 1.00 0.00 H new ATOM 603 N PRO A 39 -15.633 -14.751 14.590 1.00 0.00 N ATOM 604 CA PRO A 39 -16.454 -15.787 15.210 1.00 0.00 C ATOM 605 C PRO A 39 -16.193 -17.171 14.591 1.00 0.00 C ATOM 606 O PRO A 39 -15.620 -17.302 13.510 1.00 0.00 O ATOM 607 CB PRO A 39 -17.897 -15.322 14.984 1.00 0.00 C ATOM 608 CG PRO A 39 -17.831 -14.623 13.626 1.00 0.00 C ATOM 609 CD PRO A 39 -16.413 -14.044 13.577 1.00 0.00 C ATOM 0 HA PRO A 39 -16.226 -15.910 16.269 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -18.593 -16.161 14.972 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -18.229 -14.644 15.770 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.005 -15.322 12.808 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.585 -13.840 13.543 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.975 -14.178 12.588 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.426 -12.973 13.777 1.00 0.00 H new ATOM 617 N SER A 40 -16.632 -18.223 15.284 1.00 0.00 N ATOM 618 CA SER A 40 -16.567 -19.641 14.875 1.00 0.00 C ATOM 619 C SER A 40 -17.692 -20.460 15.563 1.00 0.00 C ATOM 620 O SER A 40 -18.821 -19.971 15.662 1.00 0.00 O ATOM 621 CB SER A 40 -15.151 -20.189 15.146 1.00 0.00 C ATOM 622 OG SER A 40 -14.183 -19.497 14.373 1.00 0.00 O ATOM 0 H SER A 40 -17.069 -18.110 16.199 1.00 0.00 H new ATOM 0 HA SER A 40 -16.746 -19.733 13.804 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.915 -20.089 16.205 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.117 -21.253 14.911 1.00 0.00 H new ATOM 0 HG SER A 40 -14.615 -18.763 13.888 1.00 0.00 H new ATOM 628 N GLU A 41 -17.441 -21.689 16.038 1.00 0.00 N ATOM 629 CA GLU A 41 -18.433 -22.562 16.691 1.00 0.00 C ATOM 630 C GLU A 41 -17.771 -23.750 17.420 1.00 0.00 C ATOM 631 O GLU A 41 -16.572 -24.004 17.275 1.00 0.00 O ATOM 632 CB GLU A 41 -19.490 -23.064 15.676 1.00 0.00 C ATOM 633 CG GLU A 41 -18.919 -24.006 14.607 1.00 0.00 C ATOM 634 CD GLU A 41 -20.005 -24.421 13.606 1.00 0.00 C ATOM 635 OE1 GLU A 41 -20.724 -25.418 13.864 1.00 0.00 O ATOM 636 OE2 GLU A 41 -20.142 -23.766 12.545 1.00 0.00 O ATOM 0 H GLU A 41 -16.517 -22.117 15.978 1.00 0.00 H new ATOM 0 HA GLU A 41 -18.938 -21.958 17.445 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -20.283 -23.580 16.216 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.946 -22.205 15.184 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -18.103 -23.512 14.080 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -18.500 -24.892 15.084 1.00 0.00 H new ATOM 643 N TYR A 42 -18.582 -24.507 18.165 1.00 0.00 N ATOM 644 CA TYR A 42 -18.231 -25.794 18.784 1.00 0.00 C ATOM 645 C TYR A 42 -19.449 -26.755 18.741 1.00 0.00 C ATOM 646 O TYR A 42 -20.574 -26.275 18.930 1.00 0.00 O ATOM 647 CB TYR A 42 -17.749 -25.529 20.222 1.00 0.00 C ATOM 648 CG TYR A 42 -17.444 -26.775 21.029 1.00 0.00 C ATOM 649 CD1 TYR A 42 -16.170 -27.370 20.958 1.00 0.00 C ATOM 650 CD2 TYR A 42 -18.444 -27.358 21.833 1.00 0.00 C ATOM 651 CE1 TYR A 42 -15.893 -28.542 21.688 1.00 0.00 C ATOM 652 CE2 TYR A 42 -18.176 -28.529 22.565 1.00 0.00 C ATOM 653 CZ TYR A 42 -16.897 -29.125 22.496 1.00 0.00 C ATOM 654 OH TYR A 42 -16.637 -30.259 23.203 1.00 0.00 O ATOM 0 H TYR A 42 -19.543 -24.230 18.363 1.00 0.00 H new ATOM 0 HA TYR A 42 -17.425 -26.280 18.233 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.852 -24.911 20.182 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -18.511 -24.952 20.745 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -15.402 -26.926 20.341 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -19.422 -26.903 21.887 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.914 -28.995 21.631 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -18.947 -28.972 23.179 1.00 0.00 H new ATOM 0 HH TYR A 42 -17.437 -30.522 23.705 1.00 0.00 H new ATOM 664 N PRO A 43 -19.280 -28.075 18.494 1.00 0.00 N ATOM 665 CA PRO A 43 -20.393 -29.022 18.368 1.00 0.00 C ATOM 666 C PRO A 43 -21.324 -29.023 19.589 1.00 0.00 C ATOM 667 O PRO A 43 -20.897 -29.329 20.701 1.00 0.00 O ATOM 668 CB PRO A 43 -19.753 -30.399 18.134 1.00 0.00 C ATOM 669 CG PRO A 43 -18.423 -30.052 17.471 1.00 0.00 C ATOM 670 CD PRO A 43 -18.029 -28.752 18.168 1.00 0.00 C ATOM 0 HA PRO A 43 -21.040 -28.736 17.539 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -19.609 -30.941 19.069 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.371 -31.028 17.493 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.679 -30.834 17.622 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -18.530 -29.918 16.395 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.448 -28.953 19.068 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -17.409 -28.134 17.519 1.00 0.00 H new ATOM 678 N GLY A 44 -22.597 -28.662 19.378 1.00 0.00 N ATOM 679 CA GLY A 44 -23.643 -28.623 20.415 1.00 0.00 C ATOM 680 C GLY A 44 -23.643 -27.384 21.314 1.00 0.00 C ATOM 681 O GLY A 44 -24.402 -27.331 22.288 1.00 0.00 O ATOM 0 H GLY A 44 -22.939 -28.381 18.459 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -24.615 -28.695 19.927 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -23.537 -29.506 21.045 1.00 0.00 H new ATOM 685 N ALA A 45 -22.819 -26.385 20.996 1.00 0.00 N ATOM 686 CA ALA A 45 -22.750 -25.116 21.729 1.00 0.00 C ATOM 687 C ALA A 45 -24.108 -24.385 21.736 1.00 0.00 C ATOM 688 O ALA A 45 -24.806 -24.323 20.718 1.00 0.00 O ATOM 689 CB ALA A 45 -21.639 -24.237 21.147 1.00 0.00 C ATOM 0 H ALA A 45 -22.170 -26.433 20.210 1.00 0.00 H new ATOM 0 HA ALA A 45 -22.510 -25.334 22.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -21.594 -23.297 21.696 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -20.683 -24.754 21.233 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -21.848 -24.034 20.097 1.00 0.00 H new ATOM 695 N GLY A 46 -24.510 -23.883 22.911 1.00 0.00 N ATOM 696 CA GLY A 46 -25.796 -23.203 23.133 1.00 0.00 C ATOM 697 C GLY A 46 -27.020 -24.099 22.899 1.00 0.00 C ATOM 698 O GLY A 46 -28.132 -23.585 22.798 1.00 0.00 O ATOM 0 H GLY A 46 -23.938 -23.939 23.754 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -25.825 -22.825 24.155 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -25.858 -22.339 22.471 1.00 0.00 H new ATOM 702 N SER A 47 -26.823 -25.417 22.781 1.00 0.00 N ATOM 703 CA SER A 47 -27.858 -26.364 22.335 1.00 0.00 C ATOM 704 C SER A 47 -27.968 -27.630 23.206 1.00 0.00 C ATOM 705 O SER A 47 -29.079 -28.077 23.493 1.00 0.00 O ATOM 706 CB SER A 47 -27.554 -26.785 20.881 1.00 0.00 C ATOM 707 OG SER A 47 -27.320 -25.675 20.019 1.00 0.00 O ATOM 0 H SER A 47 -25.931 -25.864 22.994 1.00 0.00 H new ATOM 0 HA SER A 47 -28.812 -25.844 22.420 1.00 0.00 H new ATOM 0 HB2 SER A 47 -26.680 -27.436 20.872 1.00 0.00 H new ATOM 0 HB3 SER A 47 -28.390 -27.368 20.495 1.00 0.00 H new ATOM 0 HG SER A 47 -26.479 -25.238 20.269 1.00 0.00 H new ATOM 713 N SER A 48 -26.845 -28.219 23.643 1.00 0.00 N ATOM 714 CA SER A 48 -26.839 -29.521 24.339 1.00 0.00 C ATOM 715 C SER A 48 -25.546 -29.815 25.130 1.00 0.00 C ATOM 716 O SER A 48 -25.604 -30.129 26.320 1.00 0.00 O ATOM 717 CB SER A 48 -27.104 -30.649 23.323 1.00 0.00 C ATOM 718 OG SER A 48 -26.176 -30.634 22.240 1.00 0.00 O ATOM 0 H SER A 48 -25.917 -27.811 23.526 1.00 0.00 H new ATOM 0 HA SER A 48 -27.634 -29.472 25.083 1.00 0.00 H new ATOM 0 HB2 SER A 48 -27.050 -31.612 23.831 1.00 0.00 H new ATOM 0 HB3 SER A 48 -28.117 -30.551 22.932 1.00 0.00 H new ATOM 0 HG SER A 48 -26.382 -31.367 21.623 1.00 0.00 H new ATOM 724 N SER A 49 -24.376 -29.732 24.487 1.00 0.00 N ATOM 725 CA SER A 49 -23.094 -30.186 25.061 1.00 0.00 C ATOM 726 C SER A 49 -22.477 -29.194 26.064 1.00 0.00 C ATOM 727 O SER A 49 -21.822 -29.605 27.025 1.00 0.00 O ATOM 728 CB SER A 49 -22.103 -30.416 23.910 1.00 0.00 C ATOM 729 OG SER A 49 -21.930 -29.214 23.178 1.00 0.00 O ATOM 0 H SER A 49 -24.286 -29.346 23.547 1.00 0.00 H new ATOM 0 HA SER A 49 -23.296 -31.102 25.617 1.00 0.00 H new ATOM 0 HB2 SER A 49 -21.145 -30.753 24.305 1.00 0.00 H new ATOM 0 HB3 SER A 49 -22.472 -31.203 23.252 1.00 0.00 H new ATOM 0 HG SER A 49 -21.501 -29.413 22.319 1.00 0.00 H new ATOM 735 N VAL A 50 -22.696 -27.893 25.846 1.00 0.00 N ATOM 736 CA VAL A 50 -22.073 -26.770 26.565 1.00 0.00 C ATOM 737 C VAL A 50 -22.786 -25.462 26.208 1.00 0.00 C ATOM 738 O VAL A 50 -23.255 -25.310 25.081 1.00 0.00 O ATOM 739 CB VAL A 50 -20.547 -26.690 26.276 1.00 0.00 C ATOM 740 CG1 VAL A 50 -20.227 -26.343 24.811 1.00 0.00 C ATOM 741 CG2 VAL A 50 -19.846 -25.674 27.193 1.00 0.00 C ATOM 0 H VAL A 50 -23.346 -27.576 25.127 1.00 0.00 H new ATOM 0 HA VAL A 50 -22.182 -26.938 27.636 1.00 0.00 H new ATOM 0 HB VAL A 50 -20.166 -27.691 26.479 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -19.146 -26.302 24.674 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -20.647 -27.106 24.156 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -20.661 -25.374 24.563 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -18.782 -25.648 26.960 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -20.276 -24.685 27.036 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -19.982 -25.968 28.234 1.00 0.00 H new ATOM 751 N PHE A 51 -22.864 -24.521 27.155 1.00 0.00 N ATOM 752 CA PHE A 51 -23.569 -23.240 26.987 1.00 0.00 C ATOM 753 C PHE A 51 -22.698 -22.001 27.288 1.00 0.00 C ATOM 754 O PHE A 51 -23.123 -20.875 27.043 1.00 0.00 O ATOM 755 CB PHE A 51 -24.840 -23.282 27.857 1.00 0.00 C ATOM 756 CG PHE A 51 -25.840 -24.351 27.441 1.00 0.00 C ATOM 757 CD1 PHE A 51 -25.709 -25.674 27.909 1.00 0.00 C ATOM 758 CD2 PHE A 51 -26.896 -24.029 26.565 1.00 0.00 C ATOM 759 CE1 PHE A 51 -26.611 -26.669 27.488 1.00 0.00 C ATOM 760 CE2 PHE A 51 -27.804 -25.022 26.152 1.00 0.00 C ATOM 761 CZ PHE A 51 -27.658 -26.344 26.608 1.00 0.00 C ATOM 0 H PHE A 51 -22.434 -24.627 28.074 1.00 0.00 H new ATOM 0 HA PHE A 51 -23.832 -23.125 25.935 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -24.552 -23.452 28.894 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -25.327 -22.308 27.817 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -24.913 -25.925 28.594 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -27.009 -23.016 26.209 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -26.499 -27.683 27.841 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -28.614 -24.768 25.484 1.00 0.00 H new ATOM 0 HZ PHE A 51 -28.349 -27.108 26.283 1.00 0.00 H new ATOM 771 N SER A 52 -21.467 -22.186 27.776 1.00 0.00 N ATOM 772 CA SER A 52 -20.530 -21.109 28.152 1.00 0.00 C ATOM 773 C SER A 52 -19.567 -20.673 27.023 1.00 0.00 C ATOM 774 O SER A 52 -18.755 -19.765 27.229 1.00 0.00 O ATOM 775 CB SER A 52 -19.735 -21.575 29.384 1.00 0.00 C ATOM 776 OG SER A 52 -19.109 -22.834 29.156 1.00 0.00 O ATOM 0 H SER A 52 -21.078 -23.117 27.927 1.00 0.00 H new ATOM 0 HA SER A 52 -21.126 -20.223 28.369 1.00 0.00 H new ATOM 0 HB2 SER A 52 -18.978 -20.831 29.633 1.00 0.00 H new ATOM 0 HB3 SER A 52 -20.403 -21.650 30.242 1.00 0.00 H new ATOM 0 HG SER A 52 -18.611 -23.101 29.956 1.00 0.00 H new ATOM 782 N VAL A 53 -19.636 -21.291 25.834 1.00 0.00 N ATOM 783 CA VAL A 53 -18.743 -21.004 24.689 1.00 0.00 C ATOM 784 C VAL A 53 -19.036 -19.609 24.118 1.00 0.00 C ATOM 785 O VAL A 53 -20.105 -19.364 23.557 1.00 0.00 O ATOM 786 CB VAL A 53 -18.834 -22.095 23.589 1.00 0.00 C ATOM 787 CG1 VAL A 53 -18.071 -21.731 22.302 1.00 0.00 C ATOM 788 CG2 VAL A 53 -18.272 -23.430 24.109 1.00 0.00 C ATOM 0 H VAL A 53 -20.324 -22.017 25.633 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.718 -21.018 25.058 1.00 0.00 H new ATOM 0 HB VAL A 53 -19.893 -22.178 23.346 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.177 -22.537 21.576 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.480 -20.811 21.885 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -17.016 -21.587 22.533 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.343 -24.185 23.326 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.228 -23.299 24.393 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.846 -23.753 24.977 1.00 0.00 H new ATOM 798 N LEU A 54 -18.051 -18.711 24.238 1.00 0.00 N ATOM 799 CA LEU A 54 -18.088 -17.345 23.698 1.00 0.00 C ATOM 800 C LEU A 54 -17.701 -17.282 22.209 1.00 0.00 C ATOM 801 O LEU A 54 -18.086 -16.349 21.511 1.00 0.00 O ATOM 802 CB LEU A 54 -17.157 -16.482 24.572 1.00 0.00 C ATOM 803 CG LEU A 54 -17.079 -14.985 24.204 1.00 0.00 C ATOM 804 CD1 LEU A 54 -18.450 -14.290 24.247 1.00 0.00 C ATOM 805 CD2 LEU A 54 -16.120 -14.274 25.171 1.00 0.00 C ATOM 0 H LEU A 54 -17.181 -18.920 24.727 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.109 -16.964 23.736 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -17.485 -16.564 25.608 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.152 -16.901 24.521 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.715 -14.922 23.178 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -18.334 -13.240 23.980 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.125 -14.772 23.540 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -18.864 -14.365 25.252 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.062 -13.216 24.914 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.488 -14.380 26.192 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.129 -14.721 25.094 1.00 0.00 H new ATOM 817 N SER A 55 -16.970 -18.281 21.711 1.00 0.00 N ATOM 818 CA SER A 55 -16.347 -18.301 20.374 1.00 0.00 C ATOM 819 C SER A 55 -17.321 -18.172 19.186 1.00 0.00 C ATOM 820 O SER A 55 -16.894 -17.878 18.071 1.00 0.00 O ATOM 821 CB SER A 55 -15.533 -19.598 20.217 1.00 0.00 C ATOM 822 OG SER A 55 -14.666 -19.802 21.327 1.00 0.00 O ATOM 0 H SER A 55 -16.785 -19.132 22.242 1.00 0.00 H new ATOM 0 HA SER A 55 -15.720 -17.411 20.334 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.211 -20.446 20.122 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.947 -19.553 19.299 1.00 0.00 H new ATOM 0 HG SER A 55 -14.163 -20.634 21.201 1.00 0.00 H new ATOM 828 N ASN A 56 -18.630 -18.357 19.396 1.00 0.00 N ATOM 829 CA ASN A 56 -19.651 -18.084 18.377 1.00 0.00 C ATOM 830 C ASN A 56 -19.900 -16.580 18.135 1.00 0.00 C ATOM 831 O ASN A 56 -20.555 -16.210 17.159 1.00 0.00 O ATOM 832 CB ASN A 56 -20.945 -18.802 18.781 1.00 0.00 C ATOM 833 CG ASN A 56 -21.953 -18.917 17.638 1.00 0.00 C ATOM 834 OD1 ASN A 56 -23.099 -18.498 17.764 1.00 0.00 O ATOM 835 ND2 ASN A 56 -21.575 -19.475 16.500 1.00 0.00 N ATOM 0 H ASN A 56 -19.011 -18.700 20.278 1.00 0.00 H new ATOM 0 HA ASN A 56 -19.283 -18.465 17.424 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -20.701 -19.801 19.143 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -21.406 -18.266 19.611 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -22.236 -19.557 15.728 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -20.622 -19.824 16.395 1.00 0.00 H new ATOM 842 N SER A 57 -19.380 -15.707 18.999 1.00 0.00 N ATOM 843 CA SER A 57 -19.393 -14.250 18.831 1.00 0.00 C ATOM 844 C SER A 57 -17.963 -13.702 18.637 1.00 0.00 C ATOM 845 O SER A 57 -16.982 -14.309 19.078 1.00 0.00 O ATOM 846 CB SER A 57 -20.041 -13.569 20.045 1.00 0.00 C ATOM 847 OG SER A 57 -21.340 -14.092 20.294 1.00 0.00 O ATOM 0 H SER A 57 -18.924 -16.002 19.862 1.00 0.00 H new ATOM 0 HA SER A 57 -19.980 -14.027 17.940 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.413 -13.713 20.924 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.105 -12.495 19.872 1.00 0.00 H new ATOM 0 HG SER A 57 -21.730 -13.643 21.073 1.00 0.00 H new ATOM 853 N ALA A 58 -17.835 -12.536 17.992 1.00 0.00 N ATOM 854 CA ALA A 58 -16.559 -11.848 17.775 1.00 0.00 C ATOM 855 C ALA A 58 -16.296 -10.786 18.862 1.00 0.00 C ATOM 856 O ALA A 58 -17.237 -10.290 19.485 1.00 0.00 O ATOM 857 CB ALA A 58 -16.608 -11.243 16.370 1.00 0.00 C ATOM 0 H ALA A 58 -18.632 -12.035 17.599 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.726 -12.547 17.849 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.674 -10.719 16.167 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.746 -12.037 15.636 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.439 -10.541 16.305 1.00 0.00 H new ATOM 863 N GLU A 59 -15.032 -10.398 19.067 1.00 0.00 N ATOM 864 CA GLU A 59 -14.643 -9.392 20.071 1.00 0.00 C ATOM 865 C GLU A 59 -13.551 -8.453 19.544 1.00 0.00 C ATOM 866 O GLU A 59 -12.577 -8.910 18.946 1.00 0.00 O ATOM 867 CB GLU A 59 -14.180 -10.075 21.372 1.00 0.00 C ATOM 868 CG GLU A 59 -14.123 -9.084 22.545 1.00 0.00 C ATOM 869 CD GLU A 59 -13.773 -9.786 23.864 1.00 0.00 C ATOM 870 OE1 GLU A 59 -14.648 -10.481 24.431 1.00 0.00 O ATOM 871 OE2 GLU A 59 -12.624 -9.640 24.340 1.00 0.00 O ATOM 0 H GLU A 59 -14.243 -10.773 18.540 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.524 -8.787 20.284 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.861 -10.890 21.617 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.195 -10.517 21.221 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.381 -8.313 22.335 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.085 -8.582 22.644 1.00 0.00 H new ATOM 878 N VAL A 60 -13.714 -7.148 19.778 1.00 0.00 N ATOM 879 CA VAL A 60 -12.729 -6.107 19.461 1.00 0.00 C ATOM 880 C VAL A 60 -11.676 -6.089 20.568 1.00 0.00 C ATOM 881 O VAL A 60 -11.973 -5.769 21.716 1.00 0.00 O ATOM 882 CB VAL A 60 -13.369 -4.708 19.310 1.00 0.00 C ATOM 883 CG1 VAL A 60 -12.306 -3.672 18.910 1.00 0.00 C ATOM 884 CG2 VAL A 60 -14.480 -4.703 18.248 1.00 0.00 C ATOM 0 H VAL A 60 -14.561 -6.774 20.206 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.277 -6.344 18.498 1.00 0.00 H new ATOM 0 HB VAL A 60 -13.802 -4.450 20.276 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.773 -2.692 18.808 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.534 -3.628 19.678 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.856 -3.960 17.960 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.905 -3.702 18.171 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -14.063 -4.995 17.284 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.260 -5.408 18.535 1.00 0.00 H new ATOM 894 N LYS A 61 -10.447 -6.445 20.210 1.00 0.00 N ATOM 895 CA LYS A 61 -9.304 -6.640 21.108 1.00 0.00 C ATOM 896 C LYS A 61 -8.127 -5.707 20.743 1.00 0.00 C ATOM 897 O LYS A 61 -8.188 -4.965 19.756 1.00 0.00 O ATOM 898 CB LYS A 61 -8.951 -8.142 21.056 1.00 0.00 C ATOM 899 CG LYS A 61 -9.950 -8.980 21.880 1.00 0.00 C ATOM 900 CD LYS A 61 -9.862 -10.473 21.528 1.00 0.00 C ATOM 901 CE LYS A 61 -10.598 -11.407 22.508 1.00 0.00 C ATOM 902 NZ LYS A 61 -10.030 -11.380 23.885 1.00 0.00 N ATOM 0 H LYS A 61 -10.204 -6.616 19.234 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.549 -6.365 22.134 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.954 -8.483 20.021 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.942 -8.294 21.439 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.750 -8.844 22.943 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.963 -8.622 21.698 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.270 -10.622 20.528 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.812 -10.763 21.490 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.649 -11.123 22.550 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.559 -12.427 22.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.956 -12.351 24.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.085 -10.946 23.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.652 -10.824 24.506 1.00 0.00 H new ATOM 916 N ARG A 62 -7.085 -5.699 21.586 1.00 0.00 N ATOM 917 CA ARG A 62 -5.919 -4.803 21.494 1.00 0.00 C ATOM 918 C ARG A 62 -4.617 -5.524 21.856 1.00 0.00 C ATOM 919 O ARG A 62 -4.615 -6.307 22.804 1.00 0.00 O ATOM 920 CB ARG A 62 -6.148 -3.560 22.386 1.00 0.00 C ATOM 921 CG ARG A 62 -6.205 -3.807 23.910 1.00 0.00 C ATOM 922 CD ARG A 62 -4.851 -3.640 24.619 1.00 0.00 C ATOM 923 NE ARG A 62 -4.921 -4.073 26.026 1.00 0.00 N ATOM 924 CZ ARG A 62 -4.776 -5.308 26.500 1.00 0.00 C ATOM 925 NH1 ARG A 62 -4.590 -6.353 25.717 1.00 0.00 N ATOM 926 NH2 ARG A 62 -4.820 -5.507 27.799 1.00 0.00 N ATOM 0 H ARG A 62 -7.027 -6.338 22.379 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.813 -4.477 20.459 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.350 -2.845 22.186 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.083 -3.089 22.081 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.924 -3.118 24.353 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.577 -4.815 24.091 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.091 -4.221 24.096 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.542 -2.596 24.574 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.101 -3.343 26.715 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.553 -6.232 24.705 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.484 -7.282 26.124 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.964 -4.719 28.431 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.710 -6.449 28.175 1.00 0.00 H new ATOM 940 N GLU A 63 -3.516 -5.152 21.199 1.00 0.00 N ATOM 941 CA GLU A 63 -2.115 -5.530 21.452 1.00 0.00 C ATOM 942 C GLU A 63 -1.247 -4.955 20.326 1.00 0.00 C ATOM 943 O GLU A 63 -1.646 -3.989 19.670 1.00 0.00 O ATOM 944 CB GLU A 63 -1.887 -7.039 21.739 1.00 0.00 C ATOM 945 CG GLU A 63 -2.238 -8.009 20.603 1.00 0.00 C ATOM 946 CD GLU A 63 -2.190 -9.474 21.077 1.00 0.00 C ATOM 947 OE1 GLU A 63 -1.254 -9.855 21.820 1.00 0.00 O ATOM 948 OE2 GLU A 63 -3.093 -10.262 20.706 1.00 0.00 O ATOM 0 H GLU A 63 -3.584 -4.520 20.401 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.803 -5.084 22.397 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.838 -7.183 22.000 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.474 -7.313 22.616 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.234 -7.781 20.223 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.542 -7.870 19.776 1.00 0.00 H new ATOM 955 N ARG A 64 -0.048 -5.500 20.114 1.00 0.00 N ATOM 956 CA ARG A 64 0.883 -5.024 19.090 1.00 0.00 C ATOM 957 C ARG A 64 0.805 -5.813 17.783 1.00 0.00 C ATOM 958 O ARG A 64 0.518 -7.011 17.756 1.00 0.00 O ATOM 959 CB ARG A 64 2.311 -4.987 19.655 1.00 0.00 C ATOM 960 CG ARG A 64 2.443 -3.862 20.694 1.00 0.00 C ATOM 961 CD ARG A 64 3.860 -3.757 21.274 1.00 0.00 C ATOM 962 NE ARG A 64 4.872 -3.549 20.222 1.00 0.00 N ATOM 963 CZ ARG A 64 5.207 -2.425 19.608 1.00 0.00 C ATOM 964 NH1 ARG A 64 4.653 -1.261 19.879 1.00 0.00 N ATOM 965 NH2 ARG A 64 6.130 -2.507 18.678 1.00 0.00 N ATOM 0 H ARG A 64 0.307 -6.290 20.652 1.00 0.00 H new ATOM 0 HA ARG A 64 0.582 -4.010 18.826 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.553 -5.946 20.114 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.026 -4.831 18.847 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.172 -2.913 20.232 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.735 -4.036 21.504 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.901 -2.932 21.985 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.094 -4.666 21.828 1.00 0.00 H new ATOM 0 HE ARG A 64 5.382 -4.382 19.928 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.928 -1.195 20.593 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.949 -0.425 19.375 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.554 -3.408 18.458 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.423 -1.669 18.175 1.00 0.00 H new ATOM 979 N LEU A 65 1.123 -5.127 16.682 1.00 0.00 N ATOM 980 CA LEU A 65 1.131 -5.647 15.312 1.00 0.00 C ATOM 981 C LEU A 65 1.921 -6.953 15.230 1.00 0.00 C ATOM 982 O LEU A 65 1.385 -7.957 14.787 1.00 0.00 O ATOM 983 CB LEU A 65 1.729 -4.554 14.401 1.00 0.00 C ATOM 984 CG LEU A 65 1.823 -4.946 12.911 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.429 -5.092 12.290 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.624 -3.877 12.162 1.00 0.00 C ATOM 0 H LEU A 65 1.395 -4.145 16.724 1.00 0.00 H new ATOM 0 HA LEU A 65 0.118 -5.882 14.984 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.122 -3.653 14.489 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.727 -4.303 14.762 1.00 0.00 H new ATOM 0 HG LEU A 65 2.326 -5.910 12.831 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.526 -5.369 11.240 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.126 -5.866 12.820 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.105 -4.145 12.368 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.695 -4.147 11.108 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.123 -2.914 12.257 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.625 -3.808 12.587 1.00 0.00 H new ATOM 998 N GLU A 66 3.151 -6.957 15.743 1.00 0.00 N ATOM 999 CA GLU A 66 4.036 -8.129 15.757 1.00 0.00 C ATOM 1000 C GLU A 66 3.413 -9.376 16.419 1.00 0.00 C ATOM 1001 O GLU A 66 3.702 -10.494 15.989 1.00 0.00 O ATOM 1002 CB GLU A 66 5.373 -7.739 16.418 1.00 0.00 C ATOM 1003 CG GLU A 66 5.261 -7.367 17.907 1.00 0.00 C ATOM 1004 CD GLU A 66 6.501 -6.599 18.390 1.00 0.00 C ATOM 1005 OE1 GLU A 66 7.578 -7.221 18.556 1.00 0.00 O ATOM 1006 OE2 GLU A 66 6.396 -5.368 18.613 1.00 0.00 O ATOM 0 H GLU A 66 3.571 -6.131 16.170 1.00 0.00 H new ATOM 0 HA GLU A 66 4.206 -8.425 14.722 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.071 -8.570 16.315 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.800 -6.895 15.876 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.370 -6.759 18.065 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.138 -8.273 18.501 1.00 0.00 H new ATOM 1013 N ASP A 67 2.511 -9.210 17.398 1.00 0.00 N ATOM 1014 CA ASP A 67 1.774 -10.314 18.026 1.00 0.00 C ATOM 1015 C ASP A 67 0.533 -10.697 17.204 1.00 0.00 C ATOM 1016 O ASP A 67 0.287 -11.880 16.971 1.00 0.00 O ATOM 1017 CB ASP A 67 1.366 -9.928 19.454 1.00 0.00 C ATOM 1018 CG ASP A 67 2.575 -9.736 20.379 1.00 0.00 C ATOM 1019 OD1 ASP A 67 3.219 -10.749 20.743 1.00 0.00 O ATOM 1020 OD2 ASP A 67 2.863 -8.575 20.758 1.00 0.00 O ATOM 0 H ASP A 67 2.271 -8.295 17.779 1.00 0.00 H new ATOM 0 HA ASP A 67 2.432 -11.182 18.063 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.784 -9.007 19.426 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.718 -10.702 19.865 1.00 0.00 H new ATOM 1025 N VAL A 68 -0.218 -9.705 16.704 1.00 0.00 N ATOM 1026 CA VAL A 68 -1.372 -9.944 15.814 1.00 0.00 C ATOM 1027 C VAL A 68 -0.954 -10.611 14.501 1.00 0.00 C ATOM 1028 O VAL A 68 -1.691 -11.444 13.988 1.00 0.00 O ATOM 1029 CB VAL A 68 -2.210 -8.673 15.546 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -3.434 -8.955 14.650 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -2.722 -8.097 16.873 1.00 0.00 C ATOM 0 H VAL A 68 -0.047 -8.719 16.901 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.018 -10.636 16.354 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.555 -7.968 15.034 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.990 -8.031 14.492 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.099 -9.346 13.689 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.079 -9.687 15.135 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.312 -7.201 16.677 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.343 -8.838 17.376 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.875 -7.842 17.510 1.00 0.00 H new ATOM 1041 N VAL A 69 0.235 -10.305 13.990 1.00 0.00 N ATOM 1042 CA VAL A 69 0.763 -10.845 12.733 1.00 0.00 C ATOM 1043 C VAL A 69 1.484 -12.181 12.954 1.00 0.00 C ATOM 1044 O VAL A 69 1.248 -13.122 12.200 1.00 0.00 O ATOM 1045 CB VAL A 69 1.702 -9.810 12.077 1.00 0.00 C ATOM 1046 CG1 VAL A 69 2.412 -10.341 10.827 1.00 0.00 C ATOM 1047 CG2 VAL A 69 0.894 -8.563 11.681 1.00 0.00 C ATOM 0 H VAL A 69 0.877 -9.658 14.448 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.073 -11.040 12.062 1.00 0.00 H new ATOM 0 HB VAL A 69 2.467 -9.575 12.817 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.056 -9.563 10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.016 -11.209 11.092 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.670 -10.629 10.082 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.557 -7.832 11.218 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.114 -8.845 10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.438 -8.127 12.570 1.00 0.00 H new ATOM 1057 N GLY A 70 2.363 -12.285 13.958 1.00 0.00 N ATOM 1058 CA GLY A 70 3.216 -13.464 14.143 1.00 0.00 C ATOM 1059 C GLY A 70 4.162 -13.633 12.950 1.00 0.00 C ATOM 1060 O GLY A 70 4.930 -12.725 12.628 1.00 0.00 O ATOM 0 H GLY A 70 2.502 -11.559 14.661 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.794 -13.362 15.062 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.597 -14.354 14.253 1.00 0.00 H new ATOM 1064 N GLY A 71 4.079 -14.788 12.278 1.00 0.00 N ATOM 1065 CA GLY A 71 4.816 -15.091 11.039 1.00 0.00 C ATOM 1066 C GLY A 71 4.027 -14.848 9.740 1.00 0.00 C ATOM 1067 O GLY A 71 4.552 -15.131 8.661 1.00 0.00 O ATOM 0 H GLY A 71 3.484 -15.558 12.586 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.722 -14.486 11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.130 -16.134 11.066 1.00 0.00 H new ATOM 1071 N CYS A 72 2.777 -14.374 9.821 1.00 0.00 N ATOM 1072 CA CYS A 72 1.872 -14.221 8.671 1.00 0.00 C ATOM 1073 C CYS A 72 2.240 -13.050 7.737 1.00 0.00 C ATOM 1074 O CYS A 72 2.952 -12.114 8.114 1.00 0.00 O ATOM 1075 CB CYS A 72 0.430 -14.065 9.192 1.00 0.00 C ATOM 1076 SG CYS A 72 -0.027 -15.540 10.154 1.00 0.00 S ATOM 0 H CYS A 72 2.357 -14.080 10.703 1.00 0.00 H new ATOM 0 HA CYS A 72 1.969 -15.119 8.061 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.350 -13.173 9.813 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.258 -13.934 8.357 1.00 0.00 H new ATOM 0 HG CYS A 72 0.239 -15.338 11.410 1.00 0.00 H new ATOM 1082 N CYS A 73 1.696 -13.087 6.517 1.00 0.00 N ATOM 1083 CA CYS A 73 1.747 -11.971 5.564 1.00 0.00 C ATOM 1084 C CYS A 73 0.690 -10.905 5.906 1.00 0.00 C ATOM 1085 O CYS A 73 -0.386 -11.220 6.423 1.00 0.00 O ATOM 1086 CB CYS A 73 1.561 -12.517 4.138 1.00 0.00 C ATOM 1087 SG CYS A 73 2.920 -13.658 3.730 1.00 0.00 S ATOM 0 H CYS A 73 1.201 -13.903 6.157 1.00 0.00 H new ATOM 0 HA CYS A 73 2.720 -11.483 5.629 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.604 -13.034 4.059 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.539 -11.694 3.424 1.00 0.00 H new ATOM 0 HG CYS A 73 2.755 -14.117 2.525 1.00 0.00 H new ATOM 1093 N TYR A 74 0.972 -9.645 5.561 1.00 0.00 N ATOM 1094 CA TYR A 74 0.034 -8.524 5.709 1.00 0.00 C ATOM 1095 C TYR A 74 0.343 -7.356 4.755 1.00 0.00 C ATOM 1096 O TYR A 74 1.425 -7.300 4.163 1.00 0.00 O ATOM 1097 CB TYR A 74 -0.015 -8.049 7.176 1.00 0.00 C ATOM 1098 CG TYR A 74 1.135 -7.170 7.633 1.00 0.00 C ATOM 1099 CD1 TYR A 74 2.326 -7.742 8.119 1.00 0.00 C ATOM 1100 CD2 TYR A 74 1.007 -5.770 7.577 1.00 0.00 C ATOM 1101 CE1 TYR A 74 3.376 -6.919 8.568 1.00 0.00 C ATOM 1102 CE2 TYR A 74 2.053 -4.938 8.014 1.00 0.00 C ATOM 1103 CZ TYR A 74 3.242 -5.510 8.518 1.00 0.00 C ATOM 1104 OH TYR A 74 4.253 -4.703 8.940 1.00 0.00 O ATOM 0 H TYR A 74 1.871 -9.369 5.165 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.952 -8.895 5.428 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.946 -7.503 7.329 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.052 -8.928 7.820 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.434 -8.816 8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.097 -5.331 7.195 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.284 -7.362 8.951 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.947 -3.864 7.964 1.00 0.00 H new ATOM 0 HH TYR A 74 5.112 -5.152 8.795 1.00 0.00 H new ATOM 1114 N ARG A 75 -0.591 -6.404 4.640 1.00 0.00 N ATOM 1115 CA ARG A 75 -0.453 -5.153 3.867 1.00 0.00 C ATOM 1116 C ARG A 75 -1.507 -4.132 4.329 1.00 0.00 C ATOM 1117 O ARG A 75 -2.509 -4.530 4.917 1.00 0.00 O ATOM 1118 CB ARG A 75 -0.595 -5.492 2.358 1.00 0.00 C ATOM 1119 CG ARG A 75 0.013 -4.474 1.378 1.00 0.00 C ATOM 1120 CD ARG A 75 1.541 -4.368 1.479 1.00 0.00 C ATOM 1121 NE ARG A 75 2.080 -3.504 0.412 1.00 0.00 N ATOM 1122 CZ ARG A 75 3.361 -3.226 0.194 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.318 -3.657 0.989 1.00 0.00 N ATOM 1124 NH2 ARG A 75 3.700 -2.489 -0.844 1.00 0.00 N ATOM 0 H ARG A 75 -1.499 -6.482 5.098 1.00 0.00 H new ATOM 0 HA ARG A 75 0.525 -4.702 4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.130 -6.461 2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.655 -5.599 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.258 -4.754 0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.425 -3.494 1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.818 -3.965 2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.984 -5.361 1.407 1.00 0.00 H new ATOM 0 HE ARG A 75 1.403 -3.078 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.087 -4.225 1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.291 -3.423 0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.981 -2.135 -1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.682 -2.272 -1.017 1.00 0.00 H new ATOM 1138 N VAL A 76 -1.320 -2.831 4.087 1.00 0.00 N ATOM 1139 CA VAL A 76 -2.396 -1.834 4.304 1.00 0.00 C ATOM 1140 C VAL A 76 -3.319 -1.816 3.082 1.00 0.00 C ATOM 1141 O VAL A 76 -2.847 -1.761 1.947 1.00 0.00 O ATOM 1142 CB VAL A 76 -1.868 -0.421 4.632 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -2.932 0.690 4.576 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -1.255 -0.430 6.036 1.00 0.00 C ATOM 0 H VAL A 76 -0.444 -2.437 3.743 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.957 -2.141 5.187 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.135 -0.190 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.472 1.647 4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.357 0.737 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.722 0.474 5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.879 0.565 6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.015 -0.716 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.434 -1.146 6.070 1.00 0.00 H new ATOM 1154 N ASN A 77 -4.632 -1.860 3.324 1.00 0.00 N ATOM 1155 CA ASN A 77 -5.647 -1.887 2.270 1.00 0.00 C ATOM 1156 C ASN A 77 -5.921 -0.483 1.694 1.00 0.00 C ATOM 1157 O ASN A 77 -5.564 -0.200 0.550 1.00 0.00 O ATOM 1158 CB ASN A 77 -6.903 -2.586 2.816 1.00 0.00 C ATOM 1159 CG ASN A 77 -8.004 -2.646 1.767 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -8.739 -1.686 1.582 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -8.133 -3.742 1.045 1.00 0.00 N ATOM 0 H ASN A 77 -5.023 -1.878 4.266 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.282 -2.462 1.419 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.649 -3.596 3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.265 -2.053 3.696 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.852 -3.796 0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.514 -4.536 1.208 1.00 0.00 H new ATOM 1168 N ASN A 78 -6.564 0.382 2.489 1.00 0.00 N ATOM 1169 CA ASN A 78 -6.887 1.788 2.178 1.00 0.00 C ATOM 1170 C ASN A 78 -7.857 1.972 0.976 1.00 0.00 C ATOM 1171 O ASN A 78 -8.084 3.089 0.521 1.00 0.00 O ATOM 1172 CB ASN A 78 -5.570 2.585 2.043 1.00 0.00 C ATOM 1173 CG ASN A 78 -5.733 4.101 2.137 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -5.743 4.811 1.138 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -5.818 4.645 3.338 1.00 0.00 N ATOM 0 H ASN A 78 -6.892 0.110 3.416 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.460 2.196 3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.881 2.258 2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -5.109 2.341 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.892 5.658 3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.810 4.052 4.168 1.00 0.00 H new ATOM 1182 N SER A 79 -8.465 0.912 0.431 1.00 0.00 N ATOM 1183 CA SER A 79 -9.251 0.976 -0.814 1.00 0.00 C ATOM 1184 C SER A 79 -10.568 1.754 -0.668 1.00 0.00 C ATOM 1185 O SER A 79 -10.947 2.494 -1.577 1.00 0.00 O ATOM 1186 CB SER A 79 -9.535 -0.434 -1.355 1.00 0.00 C ATOM 1187 OG SER A 79 -8.324 -1.131 -1.616 1.00 0.00 O ATOM 0 H SER A 79 -8.427 -0.021 0.841 1.00 0.00 H new ATOM 0 HA SER A 79 -8.635 1.526 -1.525 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.132 -0.991 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.124 -0.365 -2.270 1.00 0.00 H new ATOM 0 HG SER A 79 -8.529 -2.026 -1.958 1.00 0.00 H new ATOM 1193 N LEU A 80 -11.238 1.646 0.488 1.00 0.00 N ATOM 1194 CA LEU A 80 -12.406 2.476 0.817 1.00 0.00 C ATOM 1195 C LEU A 80 -12.017 3.937 1.039 1.00 0.00 C ATOM 1196 O LEU A 80 -12.715 4.844 0.603 1.00 0.00 O ATOM 1197 CB LEU A 80 -13.119 1.913 2.064 1.00 0.00 C ATOM 1198 CG LEU A 80 -13.836 0.566 1.849 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -14.492 0.137 3.170 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -14.894 0.656 0.738 1.00 0.00 C ATOM 0 H LEU A 80 -10.986 0.982 1.220 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.089 2.445 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.385 1.794 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.849 2.645 2.409 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.100 -0.174 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.003 -0.816 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.726 0.029 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -15.213 0.893 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.377 -0.313 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.641 1.403 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.415 0.942 -0.198 1.00 0.00 H new ATOM 1212 N ASP A 81 -10.869 4.182 1.662 1.00 0.00 N ATOM 1213 CA ASP A 81 -10.364 5.534 1.893 1.00 0.00 C ATOM 1214 C ASP A 81 -10.040 6.237 0.568 1.00 0.00 C ATOM 1215 O ASP A 81 -10.464 7.370 0.342 1.00 0.00 O ATOM 1216 CB ASP A 81 -9.153 5.444 2.819 1.00 0.00 C ATOM 1217 CG ASP A 81 -9.561 4.776 4.125 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -10.254 5.471 4.899 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -9.222 3.591 4.341 1.00 0.00 O ATOM 0 H ASP A 81 -10.260 3.448 2.023 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.128 6.144 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.357 4.874 2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.757 6.440 3.016 1.00 0.00 H new ATOM 1224 N HIS A 82 -9.394 5.514 -0.350 1.00 0.00 N ATOM 1225 CA HIS A 82 -9.179 5.918 -1.740 1.00 0.00 C ATOM 1226 C HIS A 82 -10.501 6.194 -2.498 1.00 0.00 C ATOM 1227 O HIS A 82 -10.515 6.965 -3.463 1.00 0.00 O ATOM 1228 CB HIS A 82 -8.401 4.782 -2.429 1.00 0.00 C ATOM 1229 CG HIS A 82 -7.677 5.173 -3.700 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -8.143 5.996 -4.703 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -6.436 4.743 -4.087 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -7.206 6.065 -5.662 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -6.138 5.314 -5.333 1.00 0.00 N ATOM 0 H HIS A 82 -8.993 4.600 -0.138 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.623 6.856 -1.754 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.672 4.383 -1.723 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -9.097 3.975 -2.660 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -9.045 6.471 -4.715 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.795 4.077 -3.528 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.296 6.642 -6.570 1.00 0.00 H new ATOM 1241 N GLU A 83 -11.607 5.570 -2.080 1.00 0.00 N ATOM 1242 CA GLU A 83 -12.920 5.721 -2.705 1.00 0.00 C ATOM 1243 C GLU A 83 -13.620 7.032 -2.293 1.00 0.00 C ATOM 1244 O GLU A 83 -14.376 7.598 -3.089 1.00 0.00 O ATOM 1245 CB GLU A 83 -13.794 4.500 -2.366 1.00 0.00 C ATOM 1246 CG GLU A 83 -14.924 4.252 -3.366 1.00 0.00 C ATOM 1247 CD GLU A 83 -14.405 3.860 -4.761 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -14.010 2.686 -4.955 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -14.414 4.711 -5.681 1.00 0.00 O ATOM 0 H GLU A 83 -11.612 4.934 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.774 5.776 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.161 3.614 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.223 4.637 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.572 3.461 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.534 5.151 -3.449 1.00 0.00 H new ATOM 1256 N TYR A 84 -13.356 7.541 -1.078 1.00 0.00 N ATOM 1257 CA TYR A 84 -14.115 8.657 -0.485 1.00 0.00 C ATOM 1258 C TYR A 84 -13.300 9.875 0.004 1.00 0.00 C ATOM 1259 O TYR A 84 -13.733 11.011 -0.213 1.00 0.00 O ATOM 1260 CB TYR A 84 -14.935 8.136 0.711 1.00 0.00 C ATOM 1261 CG TYR A 84 -15.687 6.830 0.525 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -16.602 6.663 -0.533 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -15.476 5.780 1.439 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -17.290 5.443 -0.686 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -16.161 4.561 1.298 1.00 0.00 C ATOM 1266 CZ TYR A 84 -17.071 4.386 0.229 1.00 0.00 C ATOM 1267 OH TYR A 84 -17.735 3.207 0.071 1.00 0.00 O ATOM 0 H TYR A 84 -12.609 7.190 -0.478 1.00 0.00 H new ATOM 0 HA TYR A 84 -14.725 9.024 -1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -14.259 8.018 1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -15.657 8.905 0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -16.776 7.471 -1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -14.782 5.913 2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -17.985 5.314 -1.502 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.993 3.761 2.003 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.472 2.586 0.782 1.00 0.00 H new ATOM 1277 N GLN A 85 -12.197 9.678 0.746 1.00 0.00 N ATOM 1278 CA GLN A 85 -11.840 10.584 1.850 1.00 0.00 C ATOM 1279 C GLN A 85 -10.326 10.807 2.101 1.00 0.00 C ATOM 1280 O GLN A 85 -9.528 9.898 1.864 1.00 0.00 O ATOM 1281 CB GLN A 85 -12.537 10.059 3.117 1.00 0.00 C ATOM 1282 CG GLN A 85 -12.059 8.675 3.600 1.00 0.00 C ATOM 1283 CD GLN A 85 -12.768 8.212 4.867 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -13.802 8.706 5.280 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -12.259 7.224 5.554 1.00 0.00 N ATOM 0 H GLN A 85 -11.544 8.908 0.603 1.00 0.00 H new ATOM 0 HA GLN A 85 -12.183 11.578 1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.386 10.779 3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.610 10.011 2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.224 7.943 2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.985 8.711 3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.394 6.780 5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.727 6.896 6.399 1.00 0.00 H new ATOM 1294 N PRO A 86 -9.925 11.978 2.659 1.00 0.00 N ATOM 1295 CA PRO A 86 -8.549 12.272 3.081 1.00 0.00 C ATOM 1296 C PRO A 86 -8.171 11.701 4.461 1.00 0.00 C ATOM 1297 O PRO A 86 -6.994 11.752 4.813 1.00 0.00 O ATOM 1298 CB PRO A 86 -8.464 13.802 3.112 1.00 0.00 C ATOM 1299 CG PRO A 86 -9.877 14.212 3.524 1.00 0.00 C ATOM 1300 CD PRO A 86 -10.745 13.179 2.810 1.00 0.00 C ATOM 0 HA PRO A 86 -7.850 11.802 2.390 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.717 14.151 3.825 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.192 14.212 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.011 14.176 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -10.113 15.228 3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -11.645 12.964 3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.070 13.551 1.838 1.00 0.00 H new ATOM 1308 N ARG A 87 -9.145 11.184 5.237 1.00 0.00 N ATOM 1309 CA ARG A 87 -8.995 10.512 6.537 1.00 0.00 C ATOM 1310 C ARG A 87 -8.681 11.470 7.723 1.00 0.00 C ATOM 1311 O ARG A 87 -7.532 11.894 7.878 1.00 0.00 O ATOM 1312 CB ARG A 87 -7.957 9.377 6.408 1.00 0.00 C ATOM 1313 CG ARG A 87 -8.074 8.309 7.506 1.00 0.00 C ATOM 1314 CD ARG A 87 -9.307 7.423 7.271 1.00 0.00 C ATOM 1315 NE ARG A 87 -9.140 6.070 7.842 1.00 0.00 N ATOM 1316 CZ ARG A 87 -8.369 5.089 7.372 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -7.493 5.261 6.407 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -8.465 3.882 7.879 1.00 0.00 N ATOM 0 H ARG A 87 -10.123 11.230 4.949 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.966 10.089 6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.072 8.900 5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.956 9.807 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.175 7.693 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.146 8.789 8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.183 7.897 7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.496 7.343 6.200 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.672 5.864 8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.378 6.180 5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.928 4.475 6.085 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.129 3.696 8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.876 3.130 7.521 1.00 0.00 H new ATOM 1332 N PRO A 88 -9.644 11.739 8.635 1.00 0.00 N ATOM 1333 CA PRO A 88 -9.396 12.448 9.899 1.00 0.00 C ATOM 1334 C PRO A 88 -8.766 11.471 10.907 1.00 0.00 C ATOM 1335 O PRO A 88 -9.410 11.027 11.851 1.00 0.00 O ATOM 1336 CB PRO A 88 -10.768 12.984 10.325 1.00 0.00 C ATOM 1337 CG PRO A 88 -11.725 11.906 9.820 1.00 0.00 C ATOM 1338 CD PRO A 88 -11.072 11.443 8.514 1.00 0.00 C ATOM 0 HA PRO A 88 -8.691 13.276 9.820 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.835 13.110 11.406 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.980 13.955 9.877 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.823 11.088 10.534 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.726 12.303 9.651 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.235 10.377 8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.505 11.962 7.659 1.00 0.00 H new ATOM 1346 N VAL A 89 -7.501 11.104 10.676 1.00 0.00 N ATOM 1347 CA VAL A 89 -6.761 10.018 11.360 1.00 0.00 C ATOM 1348 C VAL A 89 -6.902 10.010 12.888 1.00 0.00 C ATOM 1349 O VAL A 89 -7.075 8.939 13.468 1.00 0.00 O ATOM 1350 CB VAL A 89 -5.277 10.040 10.913 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -4.310 9.309 11.859 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -5.175 9.437 9.497 1.00 0.00 C ATOM 0 H VAL A 89 -6.930 11.574 9.974 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.223 9.081 11.050 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.966 11.084 10.930 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.296 9.377 11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.348 9.770 12.846 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.600 8.261 11.937 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.135 9.447 9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.541 8.410 9.512 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.777 10.027 8.806 1.00 0.00 H new ATOM 1362 N GLU A 90 -6.918 11.173 13.539 1.00 0.00 N ATOM 1363 CA GLU A 90 -7.060 11.292 14.997 1.00 0.00 C ATOM 1364 C GLU A 90 -8.414 10.764 15.479 1.00 0.00 C ATOM 1365 O GLU A 90 -8.513 10.098 16.509 1.00 0.00 O ATOM 1366 CB GLU A 90 -6.927 12.763 15.445 1.00 0.00 C ATOM 1367 CG GLU A 90 -5.720 13.526 14.886 1.00 0.00 C ATOM 1368 CD GLU A 90 -6.058 14.299 13.599 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -6.200 13.667 12.527 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -6.197 15.544 13.659 1.00 0.00 O ATOM 0 H GLU A 90 -6.832 12.073 13.066 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.263 10.693 15.437 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.834 13.294 15.156 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.876 12.788 16.534 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.354 14.223 15.640 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.912 12.823 14.683 1.00 0.00 H new ATOM 1377 N VAL A 91 -9.460 11.024 14.694 1.00 0.00 N ATOM 1378 CA VAL A 91 -10.845 10.625 14.977 1.00 0.00 C ATOM 1379 C VAL A 91 -11.030 9.125 14.708 1.00 0.00 C ATOM 1380 O VAL A 91 -11.778 8.470 15.425 1.00 0.00 O ATOM 1381 CB VAL A 91 -11.828 11.492 14.155 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -13.296 11.167 14.471 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -11.577 12.992 14.413 1.00 0.00 C ATOM 0 H VAL A 91 -9.367 11.534 13.815 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.064 10.795 16.031 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.645 11.259 13.106 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -13.947 11.801 13.869 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.495 10.120 14.240 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.489 11.348 15.528 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.278 13.585 13.826 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.718 13.208 15.472 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.557 13.245 14.124 1.00 0.00 H new ATOM 1393 N ILE A 92 -10.288 8.550 13.747 1.00 0.00 N ATOM 1394 CA ILE A 92 -10.253 7.088 13.521 1.00 0.00 C ATOM 1395 C ILE A 92 -9.567 6.373 14.691 1.00 0.00 C ATOM 1396 O ILE A 92 -10.094 5.391 15.207 1.00 0.00 O ATOM 1397 CB ILE A 92 -9.552 6.724 12.187 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -9.875 7.665 11.006 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -9.891 5.267 11.823 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -11.351 7.756 10.595 1.00 0.00 C ATOM 0 H ILE A 92 -9.697 9.079 13.106 1.00 0.00 H new ATOM 0 HA ILE A 92 -11.287 6.749 13.456 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.483 6.848 12.358 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.528 8.666 11.261 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.298 7.339 10.141 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.402 5.003 10.886 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.542 4.604 12.614 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -10.970 5.162 11.711 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.454 8.446 9.757 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -11.708 6.770 10.299 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -11.941 8.118 11.437 1.00 0.00 H new ATOM 1412 N ILE A 93 -8.422 6.886 15.157 1.00 0.00 N ATOM 1413 CA ILE A 93 -7.696 6.316 16.310 1.00 0.00 C ATOM 1414 C ILE A 93 -8.530 6.461 17.592 1.00 0.00 C ATOM 1415 O ILE A 93 -8.615 5.525 18.379 1.00 0.00 O ATOM 1416 CB ILE A 93 -6.289 6.958 16.403 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -5.444 6.502 15.186 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -5.593 6.599 17.730 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -4.090 7.205 15.049 1.00 0.00 C ATOM 0 H ILE A 93 -7.970 7.705 14.751 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.545 5.245 16.174 1.00 0.00 H new ATOM 0 HB ILE A 93 -6.391 8.043 16.384 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.275 5.428 15.260 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.020 6.672 14.276 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.608 7.066 17.762 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.193 6.960 18.565 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.484 5.517 17.803 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.569 6.823 14.171 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.247 8.278 14.940 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.490 7.015 15.939 1.00 0.00 H new ATOM 1431 N SER A 94 -9.211 7.593 17.768 1.00 0.00 N ATOM 1432 CA SER A 94 -10.149 7.797 18.880 1.00 0.00 C ATOM 1433 C SER A 94 -11.341 6.824 18.802 1.00 0.00 C ATOM 1434 O SER A 94 -11.704 6.211 19.804 1.00 0.00 O ATOM 1435 CB SER A 94 -10.656 9.249 18.895 1.00 0.00 C ATOM 1436 OG SER A 94 -9.593 10.191 18.967 1.00 0.00 O ATOM 0 H SER A 94 -9.130 8.397 17.145 1.00 0.00 H new ATOM 0 HA SER A 94 -9.610 7.596 19.806 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.244 9.436 17.996 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.322 9.390 19.746 1.00 0.00 H new ATOM 0 HG SER A 94 -9.264 10.383 18.064 1.00 0.00 H new ATOM 1442 N SER A 95 -11.913 6.625 17.611 1.00 0.00 N ATOM 1443 CA SER A 95 -13.002 5.672 17.358 1.00 0.00 C ATOM 1444 C SER A 95 -12.591 4.234 17.712 1.00 0.00 C ATOM 1445 O SER A 95 -13.312 3.540 18.430 1.00 0.00 O ATOM 1446 CB SER A 95 -13.417 5.776 15.879 1.00 0.00 C ATOM 1447 OG SER A 95 -14.437 4.864 15.522 1.00 0.00 O ATOM 0 H SER A 95 -11.626 7.134 16.775 1.00 0.00 H new ATOM 0 HA SER A 95 -13.848 5.923 17.997 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.758 6.791 15.674 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.544 5.600 15.250 1.00 0.00 H new ATOM 0 HG SER A 95 -14.268 4.520 14.620 1.00 0.00 H new ATOM 1453 N ALA A 96 -11.394 3.798 17.303 1.00 0.00 N ATOM 1454 CA ALA A 96 -10.843 2.489 17.653 1.00 0.00 C ATOM 1455 C ALA A 96 -10.669 2.322 19.174 1.00 0.00 C ATOM 1456 O ALA A 96 -11.121 1.335 19.762 1.00 0.00 O ATOM 1457 CB ALA A 96 -9.525 2.334 16.879 1.00 0.00 C ATOM 0 H ALA A 96 -10.775 4.353 16.712 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.532 1.694 17.369 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.078 1.367 17.111 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.722 2.395 15.809 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.838 3.130 17.167 1.00 0.00 H new ATOM 1463 N LYS A 97 -10.099 3.329 19.841 1.00 0.00 N ATOM 1464 CA LYS A 97 -9.946 3.354 21.300 1.00 0.00 C ATOM 1465 C LYS A 97 -11.291 3.476 22.055 1.00 0.00 C ATOM 1466 O LYS A 97 -11.352 3.114 23.230 1.00 0.00 O ATOM 1467 CB LYS A 97 -8.957 4.469 21.678 1.00 0.00 C ATOM 1468 CG LYS A 97 -7.517 4.155 21.229 1.00 0.00 C ATOM 1469 CD LYS A 97 -6.570 5.356 21.385 1.00 0.00 C ATOM 1470 CE LYS A 97 -6.453 5.907 22.819 1.00 0.00 C ATOM 1471 NZ LYS A 97 -5.768 4.968 23.752 1.00 0.00 N ATOM 0 H LYS A 97 -9.727 4.159 19.380 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.542 2.393 21.618 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.280 5.406 21.224 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.974 4.615 22.758 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.134 3.318 21.812 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.527 3.839 20.186 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.578 5.065 21.041 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.912 6.157 20.730 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.907 6.850 22.796 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.450 6.126 23.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.720 5.394 24.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.301 4.076 23.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.805 4.778 23.408 1.00 0.00 H new ATOM 1485 N GLU A 98 -12.371 3.924 21.406 1.00 0.00 N ATOM 1486 CA GLU A 98 -13.736 3.871 21.942 1.00 0.00 C ATOM 1487 C GLU A 98 -14.380 2.487 21.725 1.00 0.00 C ATOM 1488 O GLU A 98 -15.078 1.987 22.610 1.00 0.00 O ATOM 1489 CB GLU A 98 -14.623 4.975 21.336 1.00 0.00 C ATOM 1490 CG GLU A 98 -14.350 6.348 21.957 1.00 0.00 C ATOM 1491 CD GLU A 98 -15.284 7.415 21.367 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -14.983 7.970 20.282 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -16.332 7.712 21.989 1.00 0.00 O ATOM 0 H GLU A 98 -12.320 4.341 20.477 1.00 0.00 H new ATOM 0 HA GLU A 98 -13.660 4.044 23.016 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.453 5.025 20.261 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -15.672 4.715 21.481 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.488 6.296 23.037 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.312 6.631 21.781 1.00 0.00 H new ATOM 1500 N MET A 99 -14.114 1.835 20.584 1.00 0.00 N ATOM 1501 CA MET A 99 -14.620 0.487 20.263 1.00 0.00 C ATOM 1502 C MET A 99 -13.975 -0.634 21.086 1.00 0.00 C ATOM 1503 O MET A 99 -14.640 -1.636 21.350 1.00 0.00 O ATOM 1504 CB MET A 99 -14.436 0.170 18.768 1.00 0.00 C ATOM 1505 CG MET A 99 -15.454 0.892 17.878 1.00 0.00 C ATOM 1506 SD MET A 99 -15.534 0.247 16.186 1.00 0.00 S ATOM 1507 CE MET A 99 -16.446 -1.291 16.481 1.00 0.00 C ATOM 0 H MET A 99 -13.533 2.233 19.846 1.00 0.00 H new ATOM 0 HA MET A 99 -15.678 0.515 20.523 1.00 0.00 H new ATOM 0 HB2 MET A 99 -13.428 0.453 18.463 1.00 0.00 H new ATOM 0 HB3 MET A 99 -14.525 -0.906 18.616 1.00 0.00 H new ATOM 0 HG2 MET A 99 -16.441 0.814 18.334 1.00 0.00 H new ATOM 0 HG3 MET A 99 -15.203 1.952 17.841 1.00 0.00 H new ATOM 0 HE1 MET A 99 -16.739 -1.729 15.527 1.00 0.00 H new ATOM 0 HE2 MET A 99 -15.811 -1.992 17.022 1.00 0.00 H new ATOM 0 HE3 MET A 99 -17.337 -1.078 17.072 1.00 0.00 H new ATOM 1517 N VAL A 100 -12.705 -0.495 21.472 1.00 0.00 N ATOM 1518 CA VAL A 100 -11.949 -1.525 22.206 1.00 0.00 C ATOM 1519 C VAL A 100 -12.742 -2.166 23.356 1.00 0.00 C ATOM 1520 O VAL A 100 -13.341 -1.487 24.192 1.00 0.00 O ATOM 1521 CB VAL A 100 -10.576 -1.005 22.689 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -10.643 -0.073 23.907 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -9.631 -2.174 23.001 1.00 0.00 C ATOM 0 H VAL A 100 -12.160 0.347 21.283 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.768 -2.320 21.483 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.193 -0.410 21.860 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.636 0.244 24.178 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.246 0.802 23.663 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.095 -0.602 24.746 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.671 -1.785 23.339 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.067 -2.795 23.783 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.484 -2.773 22.102 1.00 0.00 H new ATOM 1533 N GLY A 101 -12.744 -3.502 23.368 1.00 0.00 N ATOM 1534 CA GLY A 101 -13.415 -4.341 24.362 1.00 0.00 C ATOM 1535 C GLY A 101 -14.852 -4.738 24.005 1.00 0.00 C ATOM 1536 O GLY A 101 -15.415 -5.576 24.711 1.00 0.00 O ATOM 0 H GLY A 101 -12.259 -4.049 22.657 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.828 -5.248 24.507 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.425 -3.812 25.315 1.00 0.00 H new ATOM 1540 N GLN A 102 -15.459 -4.177 22.948 1.00 0.00 N ATOM 1541 CA GLN A 102 -16.826 -4.522 22.557 1.00 0.00 C ATOM 1542 C GLN A 102 -16.895 -5.847 21.789 1.00 0.00 C ATOM 1543 O GLN A 102 -15.924 -6.309 21.188 1.00 0.00 O ATOM 1544 CB GLN A 102 -17.524 -3.369 21.804 1.00 0.00 C ATOM 1545 CG GLN A 102 -17.260 -3.276 20.285 1.00 0.00 C ATOM 1546 CD GLN A 102 -18.121 -2.203 19.612 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -18.845 -2.465 18.660 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -18.101 -0.968 20.077 1.00 0.00 N ATOM 0 H GLN A 102 -15.018 -3.479 22.349 1.00 0.00 H new ATOM 0 HA GLN A 102 -17.385 -4.673 23.480 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -18.599 -3.463 21.958 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -17.217 -2.428 22.261 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.207 -3.054 20.114 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -17.461 -4.243 19.823 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.504 -0.731 20.869 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.682 -0.251 19.644 1.00 0.00 H new ATOM 1557 N LYS A 103 -18.090 -6.429 21.774 1.00 0.00 N ATOM 1558 CA LYS A 103 -18.433 -7.654 21.045 1.00 0.00 C ATOM 1559 C LYS A 103 -19.257 -7.360 19.778 1.00 0.00 C ATOM 1560 O LYS A 103 -19.911 -6.319 19.664 1.00 0.00 O ATOM 1561 CB LYS A 103 -19.152 -8.620 22.006 1.00 0.00 C ATOM 1562 CG LYS A 103 -18.192 -9.150 23.082 1.00 0.00 C ATOM 1563 CD LYS A 103 -18.937 -9.964 24.144 1.00 0.00 C ATOM 1564 CE LYS A 103 -17.925 -10.442 25.193 1.00 0.00 C ATOM 1565 NZ LYS A 103 -18.587 -11.086 26.361 1.00 0.00 N ATOM 0 H LYS A 103 -18.882 -6.047 22.290 1.00 0.00 H new ATOM 0 HA LYS A 103 -17.519 -8.130 20.690 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -19.989 -8.108 22.482 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -19.568 -9.455 21.443 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -17.427 -9.771 22.615 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -17.678 -8.314 23.557 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -19.710 -9.356 24.614 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -19.437 -10.817 23.685 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -17.235 -11.149 24.733 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.332 -9.594 25.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.865 -11.393 27.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -19.227 -10.404 26.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -19.132 -11.911 26.040 1.00 0.00 H new ATOM 1579 N MET A 104 -19.217 -8.288 18.817 1.00 0.00 N ATOM 1580 CA MET A 104 -19.843 -8.172 17.488 1.00 0.00 C ATOM 1581 C MET A 104 -20.446 -9.519 17.064 1.00 0.00 C ATOM 1582 O MET A 104 -19.850 -10.569 17.302 1.00 0.00 O ATOM 1583 CB MET A 104 -18.777 -7.664 16.494 1.00 0.00 C ATOM 1584 CG MET A 104 -19.314 -7.279 15.105 1.00 0.00 C ATOM 1585 SD MET A 104 -20.588 -5.990 15.063 1.00 0.00 S ATOM 1586 CE MET A 104 -19.656 -4.602 15.753 1.00 0.00 C ATOM 0 H MET A 104 -18.730 -9.175 18.944 1.00 0.00 H new ATOM 0 HA MET A 104 -20.666 -7.458 17.509 1.00 0.00 H new ATOM 0 HB2 MET A 104 -18.281 -6.796 16.929 1.00 0.00 H new ATOM 0 HB3 MET A 104 -18.018 -8.437 16.372 1.00 0.00 H new ATOM 0 HG2 MET A 104 -18.474 -6.950 14.493 1.00 0.00 H new ATOM 0 HG3 MET A 104 -19.719 -8.175 14.635 1.00 0.00 H new ATOM 0 HE1 MET A 104 -20.238 -3.686 15.651 1.00 0.00 H new ATOM 0 HE2 MET A 104 -19.454 -4.788 16.808 1.00 0.00 H new ATOM 0 HE3 MET A 104 -18.713 -4.494 15.216 1.00 0.00 H new ATOM 1596 N LYS A 105 -21.626 -9.505 16.441 1.00 0.00 N ATOM 1597 CA LYS A 105 -22.415 -10.726 16.171 1.00 0.00 C ATOM 1598 C LYS A 105 -23.208 -10.704 14.844 1.00 0.00 C ATOM 1599 O LYS A 105 -23.790 -11.717 14.457 1.00 0.00 O ATOM 1600 CB LYS A 105 -23.349 -10.956 17.386 1.00 0.00 C ATOM 1601 CG LYS A 105 -23.219 -12.349 18.020 1.00 0.00 C ATOM 1602 CD LYS A 105 -23.720 -13.490 17.121 1.00 0.00 C ATOM 1603 CE LYS A 105 -23.652 -14.829 17.868 1.00 0.00 C ATOM 1604 NZ LYS A 105 -24.176 -15.944 17.034 1.00 0.00 N ATOM 0 H LYS A 105 -22.069 -8.649 16.106 1.00 0.00 H new ATOM 0 HA LYS A 105 -21.718 -11.554 16.041 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -23.135 -10.202 18.144 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -24.382 -10.807 17.071 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -22.173 -12.528 18.269 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -23.777 -12.365 18.956 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -24.745 -13.292 16.809 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -23.115 -13.540 16.216 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -22.620 -15.038 18.150 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -24.228 -14.762 18.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -23.753 -16.841 17.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -25.210 -15.995 17.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -23.932 -15.776 16.037 1.00 0.00 H new ATOM 1618 N TYR A 106 -23.245 -9.570 14.133 1.00 0.00 N ATOM 1619 CA TYR A 106 -24.063 -9.404 12.920 1.00 0.00 C ATOM 1620 C TYR A 106 -23.436 -10.057 11.674 1.00 0.00 C ATOM 1621 O TYR A 106 -22.263 -9.827 11.375 1.00 0.00 O ATOM 1622 CB TYR A 106 -24.321 -7.910 12.675 1.00 0.00 C ATOM 1623 CG TYR A 106 -25.129 -7.230 13.767 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -26.518 -7.451 13.859 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -24.496 -6.384 14.698 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -27.271 -6.830 14.872 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -25.241 -5.760 15.717 1.00 0.00 C ATOM 1628 CZ TYR A 106 -26.634 -5.984 15.809 1.00 0.00 C ATOM 1629 OH TYR A 106 -27.354 -5.382 16.794 1.00 0.00 O ATOM 0 H TYR A 106 -22.708 -8.739 14.381 1.00 0.00 H new ATOM 0 HA TYR A 106 -25.007 -9.922 13.092 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -23.363 -7.399 12.576 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -24.844 -7.794 11.726 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -27.007 -8.101 13.148 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -23.432 -6.213 14.630 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -28.336 -6.999 14.934 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -24.749 -5.112 16.427 1.00 0.00 H new ATOM 0 HH TYR A 106 -26.758 -4.837 17.349 1.00 0.00 H new ATOM 1639 N SER A 107 -24.241 -10.822 10.929 1.00 0.00 N ATOM 1640 CA SER A 107 -23.933 -11.375 9.594 1.00 0.00 C ATOM 1641 C SER A 107 -22.849 -12.484 9.581 1.00 0.00 C ATOM 1642 O SER A 107 -22.362 -12.935 10.621 1.00 0.00 O ATOM 1643 CB SER A 107 -23.607 -10.228 8.620 1.00 0.00 C ATOM 1644 OG SER A 107 -23.825 -10.644 7.279 1.00 0.00 O ATOM 0 H SER A 107 -25.171 -11.089 11.251 1.00 0.00 H new ATOM 0 HA SER A 107 -24.832 -11.892 9.258 1.00 0.00 H new ATOM 0 HB2 SER A 107 -24.230 -9.362 8.845 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.570 -9.917 8.748 1.00 0.00 H new ATOM 0 HG SER A 107 -23.616 -9.906 6.669 1.00 0.00 H new ATOM 1650 N ILE A 108 -22.486 -12.946 8.378 1.00 0.00 N ATOM 1651 CA ILE A 108 -21.403 -13.915 8.115 1.00 0.00 C ATOM 1652 C ILE A 108 -20.020 -13.257 8.247 1.00 0.00 C ATOM 1653 O ILE A 108 -19.909 -12.045 8.087 1.00 0.00 O ATOM 1654 CB ILE A 108 -21.590 -14.585 6.725 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -21.541 -13.566 5.557 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -22.895 -15.404 6.716 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -21.530 -14.219 4.169 1.00 0.00 C ATOM 0 H ILE A 108 -22.955 -12.646 7.523 1.00 0.00 H new ATOM 0 HA ILE A 108 -21.458 -14.698 8.871 1.00 0.00 H new ATOM 0 HB ILE A 108 -20.749 -15.259 6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -22.402 -12.902 5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -20.651 -12.946 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -23.024 -15.873 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -22.846 -16.175 7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -23.740 -14.745 6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -21.495 -13.445 3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -20.654 -14.861 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -22.433 -14.816 4.041 1.00 0.00 H new ATOM 1669 N VAL A 109 -18.959 -14.038 8.492 1.00 0.00 N ATOM 1670 CA VAL A 109 -17.613 -13.524 8.852 1.00 0.00 C ATOM 1671 C VAL A 109 -17.075 -12.433 7.909 1.00 0.00 C ATOM 1672 O VAL A 109 -16.505 -11.449 8.378 1.00 0.00 O ATOM 1673 CB VAL A 109 -16.587 -14.671 9.031 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -16.278 -15.438 7.731 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -15.277 -14.161 9.650 1.00 0.00 C ATOM 0 H VAL A 109 -19.002 -15.056 8.448 1.00 0.00 H new ATOM 0 HA VAL A 109 -17.750 -13.032 9.815 1.00 0.00 H new ATOM 0 HB VAL A 109 -17.066 -15.374 9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -15.552 -16.225 7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.195 -15.882 7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.868 -14.750 6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.580 -14.991 9.762 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.838 -13.404 9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -15.482 -13.726 10.628 1.00 0.00 H new ATOM 1685 N SER A 110 -17.315 -12.550 6.598 1.00 0.00 N ATOM 1686 CA SER A 110 -16.891 -11.558 5.598 1.00 0.00 C ATOM 1687 C SER A 110 -17.489 -10.173 5.884 1.00 0.00 C ATOM 1688 O SER A 110 -16.753 -9.186 6.000 1.00 0.00 O ATOM 1689 CB SER A 110 -17.283 -12.037 4.188 1.00 0.00 C ATOM 1690 OG SER A 110 -16.766 -13.334 3.923 1.00 0.00 O ATOM 0 H SER A 110 -17.814 -13.343 6.195 1.00 0.00 H new ATOM 0 HA SER A 110 -15.807 -11.461 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 110 -18.369 -12.049 4.094 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.907 -11.334 3.445 1.00 0.00 H new ATOM 0 HG SER A 110 -17.031 -13.614 3.022 1.00 0.00 H new ATOM 1696 N ARG A 111 -18.815 -10.099 6.081 1.00 0.00 N ATOM 1697 CA ARG A 111 -19.484 -8.845 6.449 1.00 0.00 C ATOM 1698 C ARG A 111 -19.251 -8.482 7.913 1.00 0.00 C ATOM 1699 O ARG A 111 -19.119 -7.305 8.208 1.00 0.00 O ATOM 1700 CB ARG A 111 -20.980 -8.892 6.100 1.00 0.00 C ATOM 1701 CG ARG A 111 -21.738 -7.579 6.404 1.00 0.00 C ATOM 1702 CD ARG A 111 -21.264 -6.371 5.583 1.00 0.00 C ATOM 1703 NE ARG A 111 -22.042 -5.168 5.936 1.00 0.00 N ATOM 1704 CZ ARG A 111 -21.815 -3.930 5.513 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -20.833 -3.637 4.691 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -22.592 -2.951 5.927 1.00 0.00 N ATOM 0 H ARG A 111 -19.445 -10.896 5.991 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.034 -8.048 5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -21.088 -9.125 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -21.447 -9.706 6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -22.801 -7.735 6.218 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -21.630 -7.348 7.464 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.204 -6.193 5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -21.372 -6.582 4.519 1.00 0.00 H new ATOM 0 HE ARG A 111 -22.832 -5.300 6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.212 -4.373 4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.691 -2.673 4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.361 -3.147 6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.425 -1.997 5.607 1.00 0.00 H new ATOM 1720 N ASN A 112 -19.130 -9.441 8.826 1.00 0.00 N ATOM 1721 CA ASN A 112 -18.885 -9.200 10.256 1.00 0.00 C ATOM 1722 C ASN A 112 -17.630 -8.333 10.483 1.00 0.00 C ATOM 1723 O ASN A 112 -17.681 -7.322 11.184 1.00 0.00 O ATOM 1724 CB ASN A 112 -18.782 -10.569 10.948 1.00 0.00 C ATOM 1725 CG ASN A 112 -18.785 -10.478 12.466 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -17.755 -10.578 13.116 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -19.942 -10.298 13.071 1.00 0.00 N ATOM 0 H ASN A 112 -19.200 -10.432 8.593 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.709 -8.632 10.689 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -19.615 -11.194 10.627 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -17.868 -11.065 10.623 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.982 -10.241 14.089 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -20.797 -10.215 12.522 1.00 0.00 H new ATOM 1734 N CYS A 113 -16.531 -8.660 9.792 1.00 0.00 N ATOM 1735 CA CYS A 113 -15.271 -7.910 9.849 1.00 0.00 C ATOM 1736 C CYS A 113 -15.325 -6.599 9.025 1.00 0.00 C ATOM 1737 O CYS A 113 -14.840 -5.567 9.489 1.00 0.00 O ATOM 1738 CB CYS A 113 -14.132 -8.870 9.443 1.00 0.00 C ATOM 1739 SG CYS A 113 -14.166 -10.370 10.478 1.00 0.00 S ATOM 0 H CYS A 113 -16.492 -9.466 9.168 1.00 0.00 H new ATOM 0 HA CYS A 113 -15.081 -7.561 10.864 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.235 -9.143 8.393 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.170 -8.369 9.549 1.00 0.00 H new ATOM 0 HG CYS A 113 -15.027 -11.213 9.992 1.00 0.00 H new ATOM 1745 N GLU A 114 -15.974 -6.596 7.854 1.00 0.00 N ATOM 1746 CA GLU A 114 -16.193 -5.383 7.041 1.00 0.00 C ATOM 1747 C GLU A 114 -17.064 -4.338 7.767 1.00 0.00 C ATOM 1748 O GLU A 114 -16.727 -3.157 7.814 1.00 0.00 O ATOM 1749 CB GLU A 114 -16.827 -5.792 5.703 1.00 0.00 C ATOM 1750 CG GLU A 114 -16.990 -4.633 4.713 1.00 0.00 C ATOM 1751 CD GLU A 114 -17.693 -5.121 3.438 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -18.937 -5.275 3.466 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -17.008 -5.348 2.412 1.00 0.00 O ATOM 0 H GLU A 114 -16.367 -7.440 7.437 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.229 -4.906 6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.213 -6.566 5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -17.805 -6.233 5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.569 -3.831 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.013 -4.218 4.463 1.00 0.00 H new ATOM 1760 N HIS A 115 -18.164 -4.764 8.389 1.00 0.00 N ATOM 1761 CA HIS A 115 -19.047 -3.946 9.224 1.00 0.00 C ATOM 1762 C HIS A 115 -18.262 -3.327 10.398 1.00 0.00 C ATOM 1763 O HIS A 115 -18.430 -2.146 10.717 1.00 0.00 O ATOM 1764 CB HIS A 115 -20.195 -4.848 9.715 1.00 0.00 C ATOM 1765 CG HIS A 115 -21.215 -4.189 10.615 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -21.735 -4.725 11.773 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -21.858 -2.997 10.399 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -22.669 -3.879 12.242 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -22.774 -2.801 11.441 1.00 0.00 N ATOM 0 H HIS A 115 -18.479 -5.732 8.322 1.00 0.00 H new ATOM 0 HA HIS A 115 -19.458 -3.114 8.652 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.713 -5.250 8.844 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.763 -5.695 10.248 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -21.688 -2.326 9.570 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -23.253 -4.041 13.136 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -23.396 -2.002 11.568 1.00 0.00 H new ATOM 1777 N PHE A 116 -17.348 -4.105 10.994 1.00 0.00 N ATOM 1778 CA PHE A 116 -16.394 -3.632 11.997 1.00 0.00 C ATOM 1779 C PHE A 116 -15.449 -2.549 11.436 1.00 0.00 C ATOM 1780 O PHE A 116 -15.433 -1.453 11.990 1.00 0.00 O ATOM 1781 CB PHE A 116 -15.675 -4.844 12.606 1.00 0.00 C ATOM 1782 CG PHE A 116 -14.321 -4.552 13.225 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -14.242 -3.898 14.467 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -13.140 -4.918 12.550 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -12.989 -3.627 15.044 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -11.888 -4.655 13.132 1.00 0.00 C ATOM 1787 CZ PHE A 116 -11.811 -4.023 14.386 1.00 0.00 C ATOM 0 H PHE A 116 -17.252 -5.099 10.786 1.00 0.00 H new ATOM 0 HA PHE A 116 -16.924 -3.124 12.803 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -16.318 -5.281 13.370 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -15.546 -5.597 11.829 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -15.146 -3.603 14.979 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -13.197 -5.401 11.585 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -12.931 -3.115 15.993 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.983 -4.939 12.615 1.00 0.00 H new ATOM 0 HZ PHE A 116 -10.849 -3.842 14.843 1.00 0.00 H new ATOM 1797 N VAL A 117 -14.725 -2.775 10.329 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.829 -1.710 9.796 1.00 0.00 C ATOM 1799 C VAL A 117 -14.581 -0.488 9.242 1.00 0.00 C ATOM 1800 O VAL A 117 -14.037 0.613 9.280 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.748 -2.172 8.796 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.649 -2.955 9.520 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.289 -2.966 7.604 1.00 0.00 C ATOM 0 H VAL A 117 -14.731 -3.645 9.796 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.291 -1.407 10.694 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.329 -1.261 8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.895 -3.273 8.800 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.185 -2.319 10.274 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.083 -3.831 10.002 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.463 -3.251 6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.794 -3.863 7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.995 -2.350 7.047 1.00 0.00 H new ATOM 1813 N THR A 118 -15.837 -0.633 8.800 1.00 0.00 N ATOM 1814 CA THR A 118 -16.676 0.513 8.381 1.00 0.00 C ATOM 1815 C THR A 118 -17.121 1.327 9.581 1.00 0.00 C ATOM 1816 O THR A 118 -17.016 2.543 9.513 1.00 0.00 O ATOM 1817 CB THR A 118 -17.867 0.085 7.511 1.00 0.00 C ATOM 1818 OG1 THR A 118 -17.450 -0.870 6.558 1.00 0.00 O ATOM 1819 CG2 THR A 118 -18.410 1.265 6.705 1.00 0.00 C ATOM 0 H THR A 118 -16.303 -1.537 8.721 1.00 0.00 H new ATOM 0 HA THR A 118 -16.055 1.151 7.753 1.00 0.00 H new ATOM 0 HB THR A 118 -18.626 -0.312 8.185 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.279 -1.725 7.005 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.253 0.934 6.098 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.740 2.050 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 118 -17.626 1.654 6.056 1.00 0.00 H new ATOM 1827 N GLN A 119 -17.530 0.714 10.697 1.00 0.00 N ATOM 1828 CA GLN A 119 -17.854 1.493 11.902 1.00 0.00 C ATOM 1829 C GLN A 119 -16.611 1.999 12.665 1.00 0.00 C ATOM 1830 O GLN A 119 -16.732 2.966 13.419 1.00 0.00 O ATOM 1831 CB GLN A 119 -18.906 0.784 12.758 1.00 0.00 C ATOM 1832 CG GLN A 119 -18.363 -0.349 13.632 1.00 0.00 C ATOM 1833 CD GLN A 119 -19.502 -1.259 14.076 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -20.023 -1.176 15.178 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -19.953 -2.126 13.195 1.00 0.00 N ATOM 0 H GLN A 119 -17.644 -0.295 10.794 1.00 0.00 H new ATOM 0 HA GLN A 119 -18.325 2.420 11.575 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -19.388 1.521 13.400 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -19.677 0.380 12.101 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -17.623 -0.925 13.076 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -17.856 0.065 14.504 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -19.516 -2.193 12.276 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -20.740 -2.731 13.431 1.00 0.00 H new ATOM 1844 N LEU A 120 -15.417 1.423 12.432 1.00 0.00 N ATOM 1845 CA LEU A 120 -14.149 1.984 12.926 1.00 0.00 C ATOM 1846 C LEU A 120 -13.885 3.347 12.273 1.00 0.00 C ATOM 1847 O LEU A 120 -13.568 4.300 12.988 1.00 0.00 O ATOM 1848 CB LEU A 120 -12.964 1.041 12.634 1.00 0.00 C ATOM 1849 CG LEU A 120 -12.675 -0.030 13.701 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -11.584 -0.967 13.167 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -12.160 0.594 15.004 1.00 0.00 C ATOM 0 H LEU A 120 -15.306 0.561 11.899 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.239 2.102 14.006 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -13.151 0.539 11.685 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.067 1.647 12.503 1.00 0.00 H new ATOM 0 HG LEU A 120 -13.604 -0.562 13.908 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -11.366 -1.733 13.911 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.929 -1.441 12.248 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -10.680 -0.393 12.962 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.967 -0.193 15.733 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.237 1.139 14.806 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -12.909 1.280 15.400 1.00 0.00 H new ATOM 1863 N ARG A 121 -14.031 3.446 10.939 1.00 0.00 N ATOM 1864 CA ARG A 121 -14.017 4.730 10.227 1.00 0.00 C ATOM 1865 C ARG A 121 -15.327 5.482 10.521 1.00 0.00 C ATOM 1866 O ARG A 121 -15.400 6.267 11.462 1.00 0.00 O ATOM 1867 CB ARG A 121 -13.729 4.586 8.706 1.00 0.00 C ATOM 1868 CG ARG A 121 -12.578 3.648 8.296 1.00 0.00 C ATOM 1869 CD ARG A 121 -12.141 3.855 6.834 1.00 0.00 C ATOM 1870 NE ARG A 121 -13.271 4.043 5.897 1.00 0.00 N ATOM 1871 CZ ARG A 121 -14.234 3.188 5.577 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -14.212 1.935 5.978 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -15.248 3.607 4.860 1.00 0.00 N ATOM 0 H ARG A 121 -14.161 2.639 10.329 1.00 0.00 H new ATOM 0 HA ARG A 121 -13.181 5.322 10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -14.640 4.236 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -13.516 5.578 8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -11.725 3.815 8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -12.890 2.613 8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -11.486 4.725 6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -11.554 2.994 6.514 1.00 0.00 H new ATOM 0 HE ARG A 121 -13.316 4.951 5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -13.439 1.597 6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -14.968 1.302 5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -15.290 4.580 4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -15.995 2.961 4.607 1.00 0.00 H new ATOM 1887 N TYR A 122 -16.334 5.286 9.661 1.00 0.00 N ATOM 1888 CA TYR A 122 -17.728 5.752 9.739 1.00 0.00 C ATOM 1889 C TYR A 122 -17.868 7.282 9.536 1.00 0.00 C ATOM 1890 O TYR A 122 -18.974 7.825 9.545 1.00 0.00 O ATOM 1891 CB TYR A 122 -18.344 5.324 11.081 1.00 0.00 C ATOM 1892 CG TYR A 122 -19.837 5.055 11.045 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -20.333 3.925 10.362 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -20.734 5.915 11.710 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -21.716 3.660 10.339 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -22.119 5.657 11.690 1.00 0.00 C ATOM 1897 CZ TYR A 122 -22.614 4.527 11.000 1.00 0.00 C ATOM 1898 OH TYR A 122 -23.953 4.273 10.973 1.00 0.00 O ATOM 0 H TYR A 122 -16.180 4.745 8.810 1.00 0.00 H new ATOM 0 HA TYR A 122 -18.272 5.284 8.918 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -17.836 4.423 11.426 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -18.148 6.103 11.818 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -19.649 3.260 9.855 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -20.357 6.778 12.239 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -22.090 2.793 9.815 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -22.801 6.321 12.201 1.00 0.00 H new ATOM 0 HH TYR A 122 -24.428 4.966 11.478 1.00 0.00 H new ATOM 1908 N GLY A 123 -16.725 7.969 9.382 1.00 0.00 N ATOM 1909 CA GLY A 123 -16.568 9.427 9.397 1.00 0.00 C ATOM 1910 C GLY A 123 -16.866 10.102 8.063 1.00 0.00 C ATOM 1911 O GLY A 123 -18.019 10.366 7.725 1.00 0.00 O ATOM 0 H GLY A 123 -15.836 7.491 9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -17.228 9.844 10.158 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -15.547 9.668 9.693 1.00 0.00 H new ATOM 1915 N LYS A 124 -15.802 10.415 7.318 1.00 0.00 N ATOM 1916 CA LYS A 124 -15.836 11.224 6.088 1.00 0.00 C ATOM 1917 C LYS A 124 -16.222 10.413 4.819 1.00 0.00 C ATOM 1918 O LYS A 124 -16.138 10.913 3.694 1.00 0.00 O ATOM 1919 CB LYS A 124 -14.478 11.960 6.030 1.00 0.00 C ATOM 1920 CG LYS A 124 -14.439 13.097 4.992 1.00 0.00 C ATOM 1921 CD LYS A 124 -13.408 14.190 5.322 1.00 0.00 C ATOM 1922 CE LYS A 124 -13.881 15.076 6.490 1.00 0.00 C ATOM 1923 NZ LYS A 124 -12.978 16.239 6.717 1.00 0.00 N ATOM 0 H LYS A 124 -14.861 10.104 7.559 1.00 0.00 H new ATOM 0 HA LYS A 124 -16.642 11.958 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -14.254 12.370 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -13.693 11.240 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -14.211 12.677 4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -15.428 13.550 4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -12.455 13.728 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -13.237 14.808 4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -14.889 15.436 6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -13.935 14.477 7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -13.336 16.806 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.021 15.897 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.946 16.826 5.859 1.00 0.00 H new ATOM 1937 N SER A 125 -16.661 9.159 5.012 1.00 0.00 N ATOM 1938 CA SER A 125 -17.069 8.190 3.977 1.00 0.00 C ATOM 1939 C SER A 125 -18.514 8.421 3.510 1.00 0.00 C ATOM 1940 O SER A 125 -18.712 8.757 2.318 1.00 0.00 O ATOM 1941 CB SER A 125 -16.905 6.766 4.504 1.00 0.00 C ATOM 1942 OG SER A 125 -15.531 6.543 4.788 1.00 0.00 O ATOM 1943 OXT SER A 125 -19.452 8.274 4.330 1.00 0.00 O ATOM 0 H SER A 125 -16.746 8.769 5.951 1.00 0.00 H new ATOM 0 HA SER A 125 -16.421 8.336 3.113 1.00 0.00 H new ATOM 0 HB2 SER A 125 -17.505 6.624 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 125 -17.260 6.046 3.766 1.00 0.00 H new ATOM 0 HG SER A 125 -15.097 7.397 4.994 1.00 0.00 H new TER 1949 SER A 125