USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1102 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 70 LYS NZ :NH3+ -173:sc= 2.02 (180deg=0.824) USER MOD Set 1.2: B 92 ASN : amide:sc= -0.341 K(o=1.7,f=-15!) USER MOD Set 2.1: B 45 GLN : amide:sc= 0.284 K(o=2.7,f=-1.9) USER MOD Set 2.2: B 46 SER OG : rot 39:sc= 1.09 USER MOD Set 2.3: B 49 GLN : amide:sc= 1.36 K(o=2.7,f=-1.3) USER MOD Set 3.1: B 26 SER OG : rot 160:sc= -0.816 USER MOD Set 3.2: B 28 GLN : amide:sc= -1.24 K(o=-2.1,f=-7.5!) USER MOD Set 4.1: B 27 LYS NZ :NH3+ 166:sc= 0.275 (180deg=0.156) USER MOD Set 4.2: B 91 TYR OH : rot 5:sc= 1.21 USER MOD Set 5.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 83 ASN : amide:sc= -2.86! K(o=-2.9!,f=0.039) USER MOD Set 6.1: A 37 LYS NZ :NH3+ 165:sc= 1.82 (180deg=1.12) USER MOD Set 6.2: A 40 THR OG1 : rot 171:sc= 0.583 USER MOD Set 7.1: A 27 LYS NZ :NH3+ 155:sc= 2.49 (180deg=1.11) USER MOD Set 7.2: A 91 TYR OH : rot 180:sc= 1 USER MOD Single : A 24 GLN : amide:sc= 0.244 K(o=0.24,f=-2.2!) USER MOD Single : A 26 SER OG : rot -65:sc= 0.176 USER MOD Single : A 28 GLN : amide:sc= -0.316 K(o=-0.32,f=-4.3!) USER MOD Single : A 31 SER OG : rot 75:sc= 0.876 USER MOD Single : A 32 HIS : no HD1:sc= 1.23 K(o=1.2,f=-5.2!) USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0955) USER MOD Single : A 42 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.043) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.1) USER MOD Single : A 49 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.71) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 60:sc= 1.19 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 114:sc= -1.39! USER MOD Single : A 73 HIS : no HE2:sc= 0.564 K(o=0.56,f=-2.5!) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 92 ASN : amide:sc= -0.852 K(o=-0.85,f=-3.4!) USER MOD Single : B 24 GLN : amide:sc= 1.19 K(o=1.2,f=-4.2!) USER MOD Single : B 31 SER OG : rot 69:sc= 1.21 USER MOD Single : B 32 HIS : no HE2:sc= 1.04 K(o=1,f=-4.6!) USER MOD Single : B 34 LYS NZ :NH3+ 170:sc= -0.0125 (180deg=-0.126) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= -0.116 K(o=-0.12,f=-3.8!) USER MOD Single : B 44 SER OG : rot -49:sc= 1.2 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 180:sc= 0.0503 USER MOD Single : B 59 LYS NZ :NH3+ -168:sc= 0.826 (180deg=0.633) USER MOD Single : B 61 SER OG : rot 88:sc= 1.19 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 TYR OH : rot 15:sc= -1.87! USER MOD Single : B 73 HIS : no HE2:sc= 1 K(o=1,f=-5.9!) USER MOD Single : B 80 HIS : no HD1:sc= -0.526 X(o=-0.53,f=-0.11) USER MOD Single : B 83 ASN : amide:sc= -0.0243 K(o=-0.024,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -7.320 -6.214 -8.212 1.00 0.00 N ATOM 2 CA ALA A 22 -7.383 -5.026 -7.330 1.00 0.00 C ATOM 3 C ALA A 22 -5.988 -4.596 -6.875 1.00 0.00 C ATOM 4 O ALA A 22 -5.073 -5.415 -6.782 1.00 0.00 O ATOM 5 CB ALA A 22 -8.264 -5.319 -6.126 1.00 0.00 C ATOM 0 HA ALA A 22 -7.816 -4.203 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.305 -4.440 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.270 -5.569 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.850 -6.158 -5.568 1.00 0.00 H new ATOM 13 N GLU A 23 -5.838 -3.306 -6.588 1.00 0.00 N ATOM 14 CA GLU A 23 -4.568 -2.752 -6.116 1.00 0.00 C ATOM 15 C GLU A 23 -4.654 -2.408 -4.634 1.00 0.00 C ATOM 16 O GLU A 23 -5.741 -2.400 -4.058 1.00 0.00 O ATOM 17 CB GLU A 23 -4.213 -1.482 -6.893 1.00 0.00 C ATOM 18 CG GLU A 23 -3.905 -1.710 -8.361 1.00 0.00 C ATOM 19 CD GLU A 23 -3.714 -0.408 -9.115 1.00 0.00 C ATOM 20 OE1 GLU A 23 -3.227 0.575 -8.514 1.00 0.00 O ATOM 21 OE2 GLU A 23 -4.055 -0.360 -10.313 1.00 0.00 O ATOM 0 H GLU A 23 -6.586 -2.618 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.797 -3.506 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.042 -0.779 -6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.350 -1.012 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.003 -2.316 -8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.717 -2.276 -8.817 1.00 0.00 H new ATOM 28 N GLN A 24 -3.515 -2.120 -4.017 1.00 0.00 N ATOM 29 CA GLN A 24 -3.509 -1.638 -2.644 1.00 0.00 C ATOM 30 C GLN A 24 -3.194 -0.151 -2.621 1.00 0.00 C ATOM 31 O GLN A 24 -2.354 0.327 -3.391 1.00 0.00 O ATOM 32 CB GLN A 24 -2.495 -2.384 -1.766 1.00 0.00 C ATOM 33 CG GLN A 24 -2.667 -2.069 -0.281 1.00 0.00 C ATOM 34 CD GLN A 24 -1.542 -2.573 0.604 1.00 0.00 C ATOM 35 OE1 GLN A 24 -1.257 -1.983 1.645 1.00 0.00 O ATOM 36 NE2 GLN A 24 -0.905 -3.664 0.212 1.00 0.00 N ATOM 0 H GLN A 24 -2.592 -2.211 -4.442 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.502 -1.823 -2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.604 -3.457 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.485 -2.118 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.752 -0.989 -0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.605 -2.504 0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.171 -4.125 -0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.148 -4.044 0.780 1.00 0.00 H new ATOM 45 N VAL A 25 -3.889 0.573 -1.757 1.00 0.00 N ATOM 46 CA VAL A 25 -3.644 1.992 -1.553 1.00 0.00 C ATOM 47 C VAL A 25 -3.578 2.299 -0.061 1.00 0.00 C ATOM 48 O VAL A 25 -4.036 1.501 0.766 1.00 0.00 O ATOM 49 CB VAL A 25 -4.734 2.870 -2.211 1.00 0.00 C ATOM 50 CG1 VAL A 25 -4.639 2.807 -3.727 1.00 0.00 C ATOM 51 CG2 VAL A 25 -6.119 2.442 -1.749 1.00 0.00 C ATOM 0 H VAL A 25 -4.638 0.194 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.691 2.229 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.568 3.902 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.416 3.433 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.660 3.166 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.772 1.777 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.872 3.072 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.290 1.402 -2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.189 2.545 -0.666 1.00 0.00 H new ATOM 61 N SER A 26 -3.002 3.434 0.291 1.00 0.00 N ATOM 62 CA SER A 26 -2.895 3.822 1.684 1.00 0.00 C ATOM 63 C SER A 26 -4.162 4.542 2.132 1.00 0.00 C ATOM 64 O SER A 26 -4.908 5.079 1.309 1.00 0.00 O ATOM 65 CB SER A 26 -1.663 4.706 1.906 1.00 0.00 C ATOM 66 OG SER A 26 -1.725 5.885 1.128 1.00 0.00 O ATOM 0 H SER A 26 -2.602 4.102 -0.368 1.00 0.00 H new ATOM 0 HA SER A 26 -2.779 2.921 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.588 4.969 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.762 4.147 1.651 1.00 0.00 H new ATOM 0 HG SER A 26 -1.683 5.652 0.177 1.00 0.00 H new ATOM 72 N LYS A 27 -4.400 4.552 3.439 1.00 0.00 N ATOM 73 CA LYS A 27 -5.605 5.154 3.999 1.00 0.00 C ATOM 74 C LYS A 27 -5.643 6.645 3.671 1.00 0.00 C ATOM 75 O LYS A 27 -6.713 7.229 3.499 1.00 0.00 O ATOM 76 CB LYS A 27 -5.634 4.941 5.516 1.00 0.00 C ATOM 77 CG LYS A 27 -6.995 5.172 6.159 1.00 0.00 C ATOM 78 CD LYS A 27 -7.990 4.080 5.788 1.00 0.00 C ATOM 79 CE LYS A 27 -9.288 4.223 6.569 1.00 0.00 C ATOM 80 NZ LYS A 27 -10.253 3.130 6.268 1.00 0.00 N ATOM 0 H LYS A 27 -3.771 4.148 4.133 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.482 4.678 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.311 3.923 5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.909 5.611 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.883 5.209 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.385 6.140 5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.200 4.125 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.550 3.102 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.068 4.227 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.746 5.184 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.900 3.007 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.800 3.374 5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.734 2.244 6.103 1.00 0.00 H new ATOM 94 N GLN A 28 -4.461 7.237 3.557 1.00 0.00 N ATOM 95 CA GLN A 28 -4.331 8.652 3.245 1.00 0.00 C ATOM 96 C GLN A 28 -4.825 8.939 1.828 1.00 0.00 C ATOM 97 O GLN A 28 -5.466 9.962 1.579 1.00 0.00 O ATOM 98 CB GLN A 28 -2.875 9.103 3.400 1.00 0.00 C ATOM 99 CG GLN A 28 -2.242 8.712 4.729 1.00 0.00 C ATOM 100 CD GLN A 28 -1.528 7.370 4.674 1.00 0.00 C ATOM 101 OE1 GLN A 28 -2.129 6.313 4.890 1.00 0.00 O ATOM 102 NE2 GLN A 28 -0.236 7.405 4.394 1.00 0.00 N ATOM 0 H GLN A 28 -3.572 6.752 3.678 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.947 9.214 3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.285 8.676 2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.828 10.187 3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.532 9.483 5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.015 8.675 5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.224 8.299 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.300 6.538 4.350 1.00 0.00 H new ATOM 111 N GLU A 29 -4.538 8.024 0.904 1.00 0.00 N ATOM 112 CA GLU A 29 -4.991 8.166 -0.476 1.00 0.00 C ATOM 113 C GLU A 29 -6.501 8.002 -0.542 1.00 0.00 C ATOM 114 O GLU A 29 -7.199 8.775 -1.205 1.00 0.00 O ATOM 115 CB GLU A 29 -4.315 7.123 -1.369 1.00 0.00 C ATOM 116 CG GLU A 29 -2.809 7.290 -1.467 1.00 0.00 C ATOM 117 CD GLU A 29 -2.129 6.104 -2.119 1.00 0.00 C ATOM 118 OE1 GLU A 29 -1.827 5.126 -1.399 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.889 6.145 -3.339 1.00 0.00 O ATOM 0 H GLU A 29 -3.996 7.180 1.086 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.721 9.160 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.537 6.128 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.744 7.180 -2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.584 8.191 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.398 7.435 -0.468 1.00 0.00 H new ATOM 126 N ILE A 30 -6.989 7.001 0.179 1.00 0.00 N ATOM 127 CA ILE A 30 -8.416 6.707 0.249 1.00 0.00 C ATOM 128 C ILE A 30 -9.207 7.915 0.737 1.00 0.00 C ATOM 129 O ILE A 30 -10.251 8.254 0.179 1.00 0.00 O ATOM 130 CB ILE A 30 -8.685 5.518 1.194 1.00 0.00 C ATOM 131 CG1 ILE A 30 -7.970 4.264 0.688 1.00 0.00 C ATOM 132 CG2 ILE A 30 -10.180 5.268 1.321 1.00 0.00 C ATOM 133 CD1 ILE A 30 -8.066 3.084 1.631 1.00 0.00 C ATOM 0 H ILE A 30 -6.408 6.370 0.731 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.741 6.452 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.293 5.763 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.391 3.981 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.919 4.499 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.352 4.426 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.665 6.157 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.596 5.041 0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.535 2.233 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.618 3.347 2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.113 2.821 1.780 1.00 0.00 H new ATOM 145 N SER A 31 -8.701 8.561 1.777 1.00 0.00 N ATOM 146 CA SER A 31 -9.381 9.702 2.368 1.00 0.00 C ATOM 147 C SER A 31 -9.265 10.942 1.479 1.00 0.00 C ATOM 148 O SER A 31 -10.168 11.776 1.445 1.00 0.00 O ATOM 149 CB SER A 31 -8.803 9.988 3.755 1.00 0.00 C ATOM 150 OG SER A 31 -8.830 8.822 4.566 1.00 0.00 O ATOM 0 H SER A 31 -7.821 8.314 2.229 1.00 0.00 H new ATOM 0 HA SER A 31 -10.439 9.458 2.461 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.778 10.346 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.374 10.783 4.235 1.00 0.00 H new ATOM 0 HG SER A 31 -8.119 8.210 4.282 1.00 0.00 H new ATOM 156 N HIS A 32 -8.158 11.049 0.746 1.00 0.00 N ATOM 157 CA HIS A 32 -7.921 12.210 -0.106 1.00 0.00 C ATOM 158 C HIS A 32 -8.835 12.186 -1.328 1.00 0.00 C ATOM 159 O HIS A 32 -9.465 13.188 -1.658 1.00 0.00 O ATOM 160 CB HIS A 32 -6.454 12.271 -0.551 1.00 0.00 C ATOM 161 CG HIS A 32 -6.105 13.512 -1.324 1.00 0.00 C ATOM 162 ND1 HIS A 32 -6.058 13.559 -2.701 1.00 0.00 N ATOM 163 CD2 HIS A 32 -5.782 14.758 -0.898 1.00 0.00 C ATOM 164 CE1 HIS A 32 -5.720 14.775 -3.087 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.548 15.523 -2.015 1.00 0.00 N ATOM 0 H HIS A 32 -7.416 10.350 0.726 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.146 13.101 0.480 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.814 12.211 0.329 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.234 11.398 -1.165 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.720 15.088 0.129 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.604 15.102 -4.110 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.284 16.508 -2.015 1.00 0.00 H new ATOM 174 N PHE A 33 -8.902 11.043 -1.999 1.00 0.00 N ATOM 175 CA PHE A 33 -9.712 10.925 -3.208 1.00 0.00 C ATOM 176 C PHE A 33 -11.148 10.550 -2.862 1.00 0.00 C ATOM 177 O PHE A 33 -12.045 10.661 -3.698 1.00 0.00 O ATOM 178 CB PHE A 33 -9.106 9.893 -4.162 1.00 0.00 C ATOM 179 CG PHE A 33 -7.749 10.283 -4.681 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.626 11.195 -5.716 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.598 9.740 -4.131 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.381 11.560 -6.194 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.351 10.101 -4.603 1.00 0.00 C ATOM 184 CZ PHE A 33 -5.242 11.012 -5.636 1.00 0.00 C ATOM 0 H PHE A 33 -8.410 10.190 -1.731 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.722 11.894 -3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.028 8.935 -3.648 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.781 9.748 -5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.513 11.626 -6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.677 9.026 -3.324 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.299 12.272 -7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.462 9.672 -4.165 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.268 11.295 -6.007 1.00 0.00 H new ATOM 194 N LYS A 34 -11.340 10.116 -1.618 1.00 0.00 N ATOM 195 CA LYS A 34 -12.650 9.738 -1.091 1.00 0.00 C ATOM 196 C LYS A 34 -13.208 8.515 -1.817 1.00 0.00 C ATOM 197 O LYS A 34 -13.944 8.634 -2.798 1.00 0.00 O ATOM 198 CB LYS A 34 -13.637 10.908 -1.161 1.00 0.00 C ATOM 199 CG LYS A 34 -14.902 10.687 -0.344 1.00 0.00 C ATOM 200 CD LYS A 34 -14.585 10.508 1.135 1.00 0.00 C ATOM 201 CE LYS A 34 -13.959 11.760 1.731 1.00 0.00 C ATOM 202 NZ LYS A 34 -14.908 12.905 1.754 1.00 0.00 N ATOM 0 H LYS A 34 -10.584 10.016 -0.941 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.515 9.474 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.141 11.813 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.912 11.079 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.573 11.536 -0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.427 9.806 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.499 10.265 1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.906 9.665 1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.623 11.548 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.076 12.033 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.503 13.680 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.078 13.234 0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.807 12.602 2.179 1.00 0.00 H new ATOM 216 N LEU A 35 -12.833 7.341 -1.336 1.00 0.00 N ATOM 217 CA LEU A 35 -13.294 6.091 -1.925 1.00 0.00 C ATOM 218 C LEU A 35 -14.410 5.480 -1.081 1.00 0.00 C ATOM 219 O LEU A 35 -14.489 5.715 0.126 1.00 0.00 O ATOM 220 CB LEU A 35 -12.126 5.109 -2.054 1.00 0.00 C ATOM 221 CG LEU A 35 -10.963 5.596 -2.924 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.821 4.593 -2.900 1.00 0.00 C ATOM 223 CD2 LEU A 35 -11.430 5.839 -4.352 1.00 0.00 C ATOM 0 H LEU A 35 -12.209 7.226 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.690 6.300 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.746 4.887 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.502 4.173 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.600 6.539 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.004 4.956 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.468 4.468 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.171 3.634 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.591 6.184 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.820 4.911 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.214 6.596 -4.354 1.00 0.00 H new ATOM 235 N VAL A 36 -15.268 4.696 -1.720 1.00 0.00 N ATOM 236 CA VAL A 36 -16.408 4.085 -1.046 1.00 0.00 C ATOM 237 C VAL A 36 -16.074 2.659 -0.617 1.00 0.00 C ATOM 238 O VAL A 36 -15.735 1.823 -1.450 1.00 0.00 O ATOM 239 CB VAL A 36 -17.647 4.066 -1.970 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.839 3.419 -1.282 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.997 5.475 -2.422 1.00 0.00 C ATOM 0 H VAL A 36 -15.196 4.466 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.633 4.683 -0.163 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.400 3.468 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.694 3.421 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.591 2.392 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.087 3.980 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.872 5.442 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.215 6.093 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -17.155 5.902 -2.968 1.00 0.00 H new ATOM 251 N LYS A 37 -16.167 2.381 0.676 1.00 0.00 N ATOM 252 CA LYS A 37 -15.801 1.068 1.191 1.00 0.00 C ATOM 253 C LYS A 37 -16.925 0.061 0.992 1.00 0.00 C ATOM 254 O LYS A 37 -18.067 0.297 1.393 1.00 0.00 O ATOM 255 CB LYS A 37 -15.433 1.139 2.674 1.00 0.00 C ATOM 256 CG LYS A 37 -14.941 -0.190 3.224 1.00 0.00 C ATOM 257 CD LYS A 37 -14.561 -0.101 4.690 1.00 0.00 C ATOM 258 CE LYS A 37 -14.058 -1.443 5.196 1.00 0.00 C ATOM 259 NZ LYS A 37 -13.679 -1.402 6.631 1.00 0.00 N ATOM 0 H LYS A 37 -16.490 3.041 1.383 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.930 0.735 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.660 1.894 2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.303 1.463 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.719 -0.943 3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.078 -0.523 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.790 0.657 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.424 0.214 5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.832 -2.197 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.196 -1.751 4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.588 -2.372 6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.771 -0.906 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.412 -0.898 7.170 1.00 0.00 H new ATOM 273 N VAL A 38 -16.586 -1.066 0.385 1.00 0.00 N ATOM 274 CA VAL A 38 -17.540 -2.139 0.155 1.00 0.00 C ATOM 275 C VAL A 38 -17.619 -3.043 1.382 1.00 0.00 C ATOM 276 O VAL A 38 -18.698 -3.290 1.922 1.00 0.00 O ATOM 277 CB VAL A 38 -17.143 -2.988 -1.072 1.00 0.00 C ATOM 278 CG1 VAL A 38 -18.200 -4.043 -1.371 1.00 0.00 C ATOM 279 CG2 VAL A 38 -16.912 -2.102 -2.286 1.00 0.00 C ATOM 0 H VAL A 38 -15.646 -1.262 0.040 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.512 -1.683 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 38 -16.210 -3.501 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.896 -4.627 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.309 -4.703 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.153 -3.555 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.633 -2.720 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.826 -1.555 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.111 -1.395 -2.073 1.00 0.00 H new ATOM 289 N GLY A 39 -16.463 -3.511 1.828 1.00 0.00 N ATOM 290 CA GLY A 39 -16.408 -4.386 2.980 1.00 0.00 C ATOM 291 C GLY A 39 -14.987 -4.634 3.429 1.00 0.00 C ATOM 292 O GLY A 39 -14.060 -3.974 2.956 1.00 0.00 O ATOM 0 H GLY A 39 -15.557 -3.299 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.976 -3.945 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.884 -5.336 2.738 1.00 0.00 H new ATOM 296 N THR A 40 -14.812 -5.581 4.333 1.00 0.00 N ATOM 297 CA THR A 40 -13.494 -5.915 4.846 1.00 0.00 C ATOM 298 C THR A 40 -13.185 -7.387 4.583 1.00 0.00 C ATOM 299 O THR A 40 -13.965 -8.268 4.944 1.00 0.00 O ATOM 300 CB THR A 40 -13.407 -5.632 6.361 1.00 0.00 C ATOM 301 OG1 THR A 40 -13.812 -4.281 6.630 1.00 0.00 O ATOM 302 CG2 THR A 40 -11.995 -5.852 6.887 1.00 0.00 C ATOM 0 H THR A 40 -15.571 -6.136 4.729 1.00 0.00 H new ATOM 0 HA THR A 40 -12.762 -5.293 4.331 1.00 0.00 H new ATOM 0 HB THR A 40 -14.075 -6.327 6.870 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.895 -4.151 7.598 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.969 -5.644 7.957 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.698 -6.886 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.306 -5.184 6.370 1.00 0.00 H new ATOM 310 N ILE A 41 -12.058 -7.648 3.939 1.00 0.00 N ATOM 311 CA ILE A 41 -11.650 -9.013 3.647 1.00 0.00 C ATOM 312 C ILE A 41 -10.524 -9.438 4.575 1.00 0.00 C ATOM 313 O ILE A 41 -9.766 -8.602 5.070 1.00 0.00 O ATOM 314 CB ILE A 41 -11.187 -9.188 2.184 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.078 -8.184 1.843 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.366 -9.043 1.231 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.501 -8.361 0.454 1.00 0.00 C ATOM 0 H ILE A 41 -11.410 -6.933 3.609 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.526 -9.642 3.804 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.778 -10.192 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.475 -7.173 1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.276 -8.280 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.022 -9.169 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.114 -9.803 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.808 -8.053 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.723 -7.616 0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.073 -9.359 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.291 -8.235 -0.287 1.00 0.00 H new ATOM 329 N ASN A 42 -10.416 -10.732 4.811 1.00 0.00 N ATOM 330 CA ASN A 42 -9.372 -11.257 5.672 1.00 0.00 C ATOM 331 C ASN A 42 -8.821 -12.561 5.110 1.00 0.00 C ATOM 332 O ASN A 42 -9.570 -13.467 4.745 1.00 0.00 O ATOM 333 CB ASN A 42 -9.889 -11.457 7.105 1.00 0.00 C ATOM 334 CG ASN A 42 -11.034 -12.450 7.200 1.00 0.00 C ATOM 335 OD1 ASN A 42 -10.817 -13.650 7.363 1.00 0.00 O ATOM 336 ND2 ASN A 42 -12.263 -11.960 7.118 1.00 0.00 N ATOM 0 H ASN A 42 -11.038 -11.439 4.419 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.562 -10.528 5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.068 -11.799 7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.217 -10.496 7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.067 -12.584 7.190 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.405 -10.959 6.983 1.00 0.00 H new ATOM 343 N VAL A 43 -7.506 -12.629 5.004 1.00 0.00 N ATOM 344 CA VAL A 43 -6.833 -13.826 4.536 1.00 0.00 C ATOM 345 C VAL A 43 -6.197 -14.552 5.710 1.00 0.00 C ATOM 346 O VAL A 43 -5.271 -14.040 6.328 1.00 0.00 O ATOM 347 CB VAL A 43 -5.732 -13.496 3.504 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.068 -14.766 2.996 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.299 -12.692 2.347 1.00 0.00 C ATOM 0 H VAL A 43 -6.878 -11.860 5.239 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.582 -14.456 4.057 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.975 -12.891 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.296 -14.508 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.616 -15.300 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.815 -15.402 2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.505 -12.472 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.082 -13.268 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.718 -11.759 2.723 1.00 0.00 H new ATOM 359 N SER A 44 -6.716 -15.720 6.036 1.00 0.00 N ATOM 360 CA SER A 44 -6.125 -16.544 7.074 1.00 0.00 C ATOM 361 C SER A 44 -5.661 -17.865 6.476 1.00 0.00 C ATOM 362 O SER A 44 -6.459 -18.778 6.263 1.00 0.00 O ATOM 363 CB SER A 44 -7.131 -16.779 8.203 1.00 0.00 C ATOM 364 OG SER A 44 -7.604 -15.544 8.720 1.00 0.00 O ATOM 0 H SER A 44 -7.545 -16.120 5.598 1.00 0.00 H new ATOM 0 HA SER A 44 -5.262 -16.029 7.495 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.970 -17.369 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.662 -17.357 9.000 1.00 0.00 H new ATOM 0 HG SER A 44 -8.247 -15.715 9.439 1.00 0.00 H new ATOM 370 N GLN A 45 -4.373 -17.948 6.169 1.00 0.00 N ATOM 371 CA GLN A 45 -3.823 -19.133 5.527 1.00 0.00 C ATOM 372 C GLN A 45 -2.780 -19.794 6.409 1.00 0.00 C ATOM 373 O GLN A 45 -2.086 -19.127 7.178 1.00 0.00 O ATOM 374 CB GLN A 45 -3.201 -18.784 4.176 1.00 0.00 C ATOM 375 CG GLN A 45 -4.193 -18.244 3.159 1.00 0.00 C ATOM 376 CD GLN A 45 -5.388 -19.156 2.952 1.00 0.00 C ATOM 377 OE1 GLN A 45 -5.283 -20.376 3.065 1.00 0.00 O ATOM 378 NE2 GLN A 45 -6.535 -18.565 2.658 1.00 0.00 N ATOM 0 H GLN A 45 -3.692 -17.211 6.354 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.646 -19.830 5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.415 -18.044 4.330 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.725 -19.675 3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.543 -17.265 3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.685 -18.099 2.206 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.578 -17.549 2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.376 -19.125 2.516 1.00 0.00 H new ATOM 387 N SER A 46 -2.669 -21.104 6.284 1.00 0.00 N ATOM 388 CA SER A 46 -1.734 -21.864 7.084 1.00 0.00 C ATOM 389 C SER A 46 -0.470 -22.189 6.285 1.00 0.00 C ATOM 390 O SER A 46 -0.481 -23.040 5.394 1.00 0.00 O ATOM 391 CB SER A 46 -2.405 -23.149 7.582 1.00 0.00 C ATOM 392 OG SER A 46 -1.606 -23.815 8.543 1.00 0.00 O ATOM 0 H SER A 46 -3.219 -21.663 5.632 1.00 0.00 H new ATOM 0 HA SER A 46 -1.438 -21.262 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.375 -22.909 8.018 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.591 -23.814 6.738 1.00 0.00 H new ATOM 0 HG SER A 46 -2.063 -24.629 8.841 1.00 0.00 H new ATOM 398 N GLY A 47 0.601 -21.468 6.590 1.00 0.00 N ATOM 399 CA GLY A 47 1.912 -21.784 6.058 1.00 0.00 C ATOM 400 C GLY A 47 2.104 -21.431 4.593 1.00 0.00 C ATOM 401 O GLY A 47 2.303 -20.264 4.247 1.00 0.00 O ATOM 0 H GLY A 47 0.583 -20.656 7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.664 -21.258 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.094 -22.851 6.188 1.00 0.00 H new ATOM 405 N GLY A 48 2.039 -22.441 3.733 1.00 0.00 N ATOM 406 CA GLY A 48 2.473 -22.285 2.356 1.00 0.00 C ATOM 407 C GLY A 48 1.412 -21.731 1.426 1.00 0.00 C ATOM 408 O GLY A 48 1.049 -22.375 0.443 1.00 0.00 O ATOM 0 H GLY A 48 1.691 -23.371 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.340 -21.625 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.800 -23.254 1.979 1.00 0.00 H new ATOM 412 N GLN A 49 0.914 -20.545 1.732 1.00 0.00 N ATOM 413 CA GLN A 49 0.009 -19.838 0.834 1.00 0.00 C ATOM 414 C GLN A 49 0.557 -18.453 0.535 1.00 0.00 C ATOM 415 O GLN A 49 0.623 -18.031 -0.617 1.00 0.00 O ATOM 416 CB GLN A 49 -1.390 -19.724 1.436 1.00 0.00 C ATOM 417 CG GLN A 49 -2.129 -21.046 1.535 1.00 0.00 C ATOM 418 CD GLN A 49 -2.391 -21.671 0.179 1.00 0.00 C ATOM 419 OE1 GLN A 49 -2.560 -20.976 -0.826 1.00 0.00 O ATOM 420 NE2 GLN A 49 -2.420 -22.988 0.142 1.00 0.00 N ATOM 0 H GLN A 49 1.121 -20.048 2.598 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.066 -20.409 -0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.311 -19.288 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.979 -19.034 0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.547 -21.738 2.144 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.078 -20.890 2.048 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.275 -23.526 0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.587 -23.470 -0.741 1.00 0.00 H new ATOM 429 N ILE A 50 0.943 -17.749 1.590 1.00 0.00 N ATOM 430 CA ILE A 50 1.556 -16.438 1.459 1.00 0.00 C ATOM 431 C ILE A 50 2.996 -16.498 1.949 1.00 0.00 C ATOM 432 O ILE A 50 3.251 -16.742 3.127 1.00 0.00 O ATOM 433 CB ILE A 50 0.788 -15.339 2.248 1.00 0.00 C ATOM 434 CG1 ILE A 50 -0.541 -14.980 1.566 1.00 0.00 C ATOM 435 CG2 ILE A 50 1.643 -14.088 2.406 1.00 0.00 C ATOM 436 CD1 ILE A 50 -1.610 -16.042 1.678 1.00 0.00 C ATOM 0 H ILE A 50 0.840 -18.069 2.553 1.00 0.00 H new ATOM 0 HA ILE A 50 1.521 -16.168 0.404 1.00 0.00 H new ATOM 0 HB ILE A 50 0.567 -15.745 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.919 -14.055 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.352 -14.783 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.085 -13.334 2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.555 -14.337 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.902 -13.697 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.513 -15.705 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.256 -16.964 1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.833 -16.224 2.729 1.00 0.00 H new ATOM 448 N SER A 51 3.931 -16.314 1.035 1.00 0.00 N ATOM 449 CA SER A 51 5.340 -16.285 1.388 1.00 0.00 C ATOM 450 C SER A 51 6.025 -15.090 0.743 1.00 0.00 C ATOM 451 O SER A 51 6.951 -14.508 1.310 1.00 0.00 O ATOM 452 CB SER A 51 6.012 -17.585 0.964 1.00 0.00 C ATOM 453 OG SER A 51 5.401 -18.695 1.604 1.00 0.00 O ATOM 0 H SER A 51 3.741 -16.182 0.042 1.00 0.00 H new ATOM 0 HA SER A 51 5.430 -16.185 2.470 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.944 -17.700 -0.118 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.072 -17.552 1.215 1.00 0.00 H new ATOM 0 HG SER A 51 5.844 -19.521 1.319 1.00 0.00 H new ATOM 459 N SER A 52 5.565 -14.734 -0.443 1.00 0.00 N ATOM 460 CA SER A 52 6.040 -13.550 -1.128 1.00 0.00 C ATOM 461 C SER A 52 4.940 -12.493 -1.119 1.00 0.00 C ATOM 462 O SER A 52 3.759 -12.820 -0.931 1.00 0.00 O ATOM 463 CB SER A 52 6.421 -13.900 -2.571 1.00 0.00 C ATOM 464 OG SER A 52 7.212 -15.077 -2.628 1.00 0.00 O ATOM 0 H SER A 52 4.854 -15.257 -0.955 1.00 0.00 H new ATOM 0 HA SER A 52 6.922 -13.161 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.517 -14.039 -3.164 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.970 -13.070 -3.015 1.00 0.00 H new ATOM 0 HG SER A 52 7.437 -15.275 -3.561 1.00 0.00 H new ATOM 470 N PRO A 53 5.295 -11.211 -1.313 1.00 0.00 N ATOM 471 CA PRO A 53 4.308 -10.137 -1.427 1.00 0.00 C ATOM 472 C PRO A 53 3.332 -10.412 -2.567 1.00 0.00 C ATOM 473 O PRO A 53 2.172 -10.007 -2.522 1.00 0.00 O ATOM 474 CB PRO A 53 5.148 -8.884 -1.717 1.00 0.00 C ATOM 475 CG PRO A 53 6.492 -9.392 -2.126 1.00 0.00 C ATOM 476 CD PRO A 53 6.673 -10.705 -1.422 1.00 0.00 C ATOM 0 HA PRO A 53 3.699 -10.034 -0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.698 -8.284 -2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.221 -8.247 -0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.548 -9.519 -3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.276 -8.689 -1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.309 -11.384 -1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.136 -10.578 -0.443 1.00 0.00 H new ATOM 484 N SER A 54 3.820 -11.124 -3.576 1.00 0.00 N ATOM 485 CA SER A 54 3.011 -11.525 -4.714 1.00 0.00 C ATOM 486 C SER A 54 1.845 -12.407 -4.268 1.00 0.00 C ATOM 487 O SER A 54 0.705 -12.177 -4.663 1.00 0.00 O ATOM 488 CB SER A 54 3.891 -12.278 -5.708 1.00 0.00 C ATOM 489 OG SER A 54 5.159 -11.653 -5.818 1.00 0.00 O ATOM 0 H SER A 54 4.789 -11.438 -3.625 1.00 0.00 H new ATOM 0 HA SER A 54 2.596 -10.636 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.015 -13.311 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.406 -12.306 -6.684 1.00 0.00 H new ATOM 0 HG SER A 54 5.713 -12.148 -6.457 1.00 0.00 H new ATOM 495 N ASP A 55 2.138 -13.398 -3.421 1.00 0.00 N ATOM 496 CA ASP A 55 1.116 -14.323 -2.927 1.00 0.00 C ATOM 497 C ASP A 55 0.033 -13.561 -2.189 1.00 0.00 C ATOM 498 O ASP A 55 -1.152 -13.677 -2.503 1.00 0.00 O ATOM 499 CB ASP A 55 1.708 -15.358 -1.967 1.00 0.00 C ATOM 500 CG ASP A 55 2.830 -16.173 -2.566 1.00 0.00 C ATOM 501 OD1 ASP A 55 2.557 -17.087 -3.365 1.00 0.00 O ATOM 502 OD2 ASP A 55 3.996 -15.913 -2.220 1.00 0.00 O ATOM 0 H ASP A 55 3.076 -13.580 -3.063 1.00 0.00 H new ATOM 0 HA ASP A 55 0.702 -14.835 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.077 -14.846 -1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.916 -16.032 -1.641 1.00 0.00 H new ATOM 507 N LEU A 56 0.458 -12.774 -1.206 1.00 0.00 N ATOM 508 CA LEU A 56 -0.466 -12.009 -0.380 1.00 0.00 C ATOM 509 C LEU A 56 -1.318 -11.081 -1.235 1.00 0.00 C ATOM 510 O LEU A 56 -2.542 -11.042 -1.100 1.00 0.00 O ATOM 511 CB LEU A 56 0.307 -11.196 0.661 1.00 0.00 C ATOM 512 CG LEU A 56 -0.559 -10.357 1.602 1.00 0.00 C ATOM 513 CD1 LEU A 56 -1.536 -11.244 2.356 1.00 0.00 C ATOM 514 CD2 LEU A 56 0.312 -9.574 2.573 1.00 0.00 C ATOM 0 H LEU A 56 1.441 -12.650 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.126 -12.710 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.909 -11.880 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.999 -10.533 0.141 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.130 -9.646 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.145 -10.632 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.182 -11.760 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.983 -11.978 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.321 -8.983 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.909 -10.267 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.973 -8.911 2.015 1.00 0.00 H new ATOM 526 N ARG A 57 -0.662 -10.367 -2.132 1.00 0.00 N ATOM 527 CA ARG A 57 -1.325 -9.376 -2.964 1.00 0.00 C ATOM 528 C ARG A 57 -2.298 -10.039 -3.935 1.00 0.00 C ATOM 529 O ARG A 57 -3.349 -9.485 -4.248 1.00 0.00 O ATOM 530 CB ARG A 57 -0.269 -8.569 -3.718 1.00 0.00 C ATOM 531 CG ARG A 57 -0.775 -7.253 -4.275 1.00 0.00 C ATOM 532 CD ARG A 57 0.314 -6.196 -4.218 1.00 0.00 C ATOM 533 NE ARG A 57 0.803 -6.004 -2.850 1.00 0.00 N ATOM 534 CZ ARG A 57 1.226 -4.839 -2.366 1.00 0.00 C ATOM 535 NH1 ARG A 57 1.282 -3.772 -3.149 1.00 0.00 N ATOM 536 NH2 ARG A 57 1.619 -4.738 -1.103 1.00 0.00 N ATOM 0 H ARG A 57 0.339 -10.456 -2.305 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.905 -8.706 -2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.567 -8.370 -3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.117 -9.174 -4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.103 -7.390 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.643 -6.920 -3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.142 -6.489 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.072 -5.252 -4.604 1.00 0.00 H new ATOM 0 HE ARG A 57 0.820 -6.814 -2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.000 -3.842 -4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.607 -2.881 -2.774 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.598 -5.557 -0.495 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.942 -3.841 -0.740 1.00 0.00 H new ATOM 550 N GLU A 58 -1.954 -11.236 -4.393 1.00 0.00 N ATOM 551 CA GLU A 58 -2.803 -11.964 -5.325 1.00 0.00 C ATOM 552 C GLU A 58 -4.033 -12.525 -4.612 1.00 0.00 C ATOM 553 O GLU A 58 -5.140 -12.484 -5.150 1.00 0.00 O ATOM 554 CB GLU A 58 -2.010 -13.084 -6.003 1.00 0.00 C ATOM 555 CG GLU A 58 -2.764 -13.784 -7.120 1.00 0.00 C ATOM 556 CD GLU A 58 -1.866 -14.687 -7.937 1.00 0.00 C ATOM 557 OE1 GLU A 58 -1.677 -15.857 -7.550 1.00 0.00 O ATOM 558 OE2 GLU A 58 -1.336 -14.223 -8.971 1.00 0.00 O ATOM 0 H GLU A 58 -1.095 -11.722 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.146 -11.271 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.086 -12.669 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.727 -13.821 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.577 -14.372 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.218 -13.038 -7.773 1.00 0.00 H new ATOM 565 N LYS A 59 -3.839 -13.038 -3.398 1.00 0.00 N ATOM 566 CA LYS A 59 -4.953 -13.540 -2.596 1.00 0.00 C ATOM 567 C LYS A 59 -5.904 -12.405 -2.238 1.00 0.00 C ATOM 568 O LYS A 59 -7.119 -12.537 -2.374 1.00 0.00 O ATOM 569 CB LYS A 59 -4.450 -14.213 -1.316 1.00 0.00 C ATOM 570 CG LYS A 59 -3.610 -15.458 -1.560 1.00 0.00 C ATOM 571 CD LYS A 59 -4.415 -16.580 -2.204 1.00 0.00 C ATOM 572 CE LYS A 59 -5.444 -17.156 -1.243 1.00 0.00 C ATOM 573 NZ LYS A 59 -6.171 -18.310 -1.833 1.00 0.00 N ATOM 0 H LYS A 59 -2.926 -13.117 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.486 -14.281 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.859 -13.494 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.307 -14.481 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.766 -15.204 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.197 -15.807 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.919 -16.202 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.740 -17.371 -2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.947 -17.471 -0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.158 -16.380 -0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.862 -18.673 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.667 -18.004 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.493 -19.062 -2.072 1.00 0.00 H new ATOM 587 N LEU A 60 -5.340 -11.291 -1.783 1.00 0.00 N ATOM 588 CA LEU A 60 -6.129 -10.109 -1.459 1.00 0.00 C ATOM 589 C LEU A 60 -6.878 -9.612 -2.686 1.00 0.00 C ATOM 590 O LEU A 60 -8.055 -9.270 -2.604 1.00 0.00 O ATOM 591 CB LEU A 60 -5.237 -8.996 -0.909 1.00 0.00 C ATOM 592 CG LEU A 60 -4.655 -9.253 0.480 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.653 -8.172 0.837 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.765 -9.308 1.519 1.00 0.00 C ATOM 0 H LEU A 60 -4.337 -11.182 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.853 -10.388 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.414 -8.834 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.814 -8.072 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.143 -10.215 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.246 -8.367 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.844 -8.170 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.148 -7.201 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.334 -9.492 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.301 -8.359 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.457 -10.113 1.270 1.00 0.00 H new ATOM 606 N SER A 61 -6.193 -9.583 -3.824 1.00 0.00 N ATOM 607 CA SER A 61 -6.815 -9.172 -5.071 1.00 0.00 C ATOM 608 C SER A 61 -7.976 -10.099 -5.408 1.00 0.00 C ATOM 609 O SER A 61 -9.061 -9.640 -5.734 1.00 0.00 O ATOM 610 CB SER A 61 -5.789 -9.171 -6.207 1.00 0.00 C ATOM 611 OG SER A 61 -6.325 -8.590 -7.386 1.00 0.00 O ATOM 0 H SER A 61 -5.209 -9.839 -3.906 1.00 0.00 H new ATOM 0 HA SER A 61 -7.198 -8.158 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.902 -8.619 -5.898 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.472 -10.193 -6.414 1.00 0.00 H new ATOM 0 HG SER A 61 -6.597 -7.667 -7.201 1.00 0.00 H new ATOM 617 N GLU A 62 -7.739 -11.403 -5.303 1.00 0.00 N ATOM 618 CA GLU A 62 -8.759 -12.408 -5.595 1.00 0.00 C ATOM 619 C GLU A 62 -10.029 -12.146 -4.789 1.00 0.00 C ATOM 620 O GLU A 62 -11.138 -12.168 -5.324 1.00 0.00 O ATOM 621 CB GLU A 62 -8.216 -13.803 -5.273 1.00 0.00 C ATOM 622 CG GLU A 62 -9.169 -14.933 -5.617 1.00 0.00 C ATOM 623 CD GLU A 62 -9.459 -15.018 -7.099 1.00 0.00 C ATOM 624 OE1 GLU A 62 -8.532 -15.350 -7.870 1.00 0.00 O ATOM 625 OE2 GLU A 62 -10.615 -14.771 -7.502 1.00 0.00 O ATOM 0 H GLU A 62 -6.841 -11.792 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.008 -12.350 -6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.282 -13.952 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.979 -13.853 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.743 -15.878 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.104 -14.792 -5.075 1.00 0.00 H new ATOM 632 N LEU A 63 -9.853 -11.878 -3.503 1.00 0.00 N ATOM 633 CA LEU A 63 -10.977 -11.655 -2.606 1.00 0.00 C ATOM 634 C LEU A 63 -11.613 -10.286 -2.849 1.00 0.00 C ATOM 635 O LEU A 63 -12.837 -10.138 -2.801 1.00 0.00 O ATOM 636 CB LEU A 63 -10.509 -11.780 -1.156 1.00 0.00 C ATOM 637 CG LEU A 63 -9.874 -13.130 -0.803 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.276 -13.098 0.593 1.00 0.00 C ATOM 639 CD2 LEU A 63 -10.900 -14.247 -0.915 1.00 0.00 C ATOM 0 H LEU A 63 -8.939 -11.810 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.736 -12.412 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.787 -10.990 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.361 -11.611 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.071 -13.323 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.832 -14.067 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.508 -12.326 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.059 -12.878 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.432 -15.198 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.725 -14.054 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.280 -14.291 -1.936 1.00 0.00 H new ATOM 651 N ALA A 64 -10.780 -9.288 -3.120 1.00 0.00 N ATOM 652 CA ALA A 64 -11.263 -7.939 -3.384 1.00 0.00 C ATOM 653 C ALA A 64 -12.008 -7.877 -4.713 1.00 0.00 C ATOM 654 O ALA A 64 -13.064 -7.256 -4.810 1.00 0.00 O ATOM 655 CB ALA A 64 -10.113 -6.947 -3.375 1.00 0.00 C ATOM 0 H ALA A 64 -9.766 -9.388 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.959 -7.670 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.495 -5.946 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.627 -6.963 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.391 -7.220 -4.145 1.00 0.00 H new ATOM 661 N ASP A 65 -11.460 -8.540 -5.729 1.00 0.00 N ATOM 662 CA ASP A 65 -12.084 -8.577 -7.050 1.00 0.00 C ATOM 663 C ASP A 65 -13.369 -9.398 -7.004 1.00 0.00 C ATOM 664 O ASP A 65 -14.278 -9.193 -7.809 1.00 0.00 O ATOM 665 CB ASP A 65 -11.128 -9.157 -8.108 1.00 0.00 C ATOM 666 CG ASP A 65 -9.892 -8.299 -8.349 1.00 0.00 C ATOM 667 OD1 ASP A 65 -10.012 -7.059 -8.413 1.00 0.00 O ATOM 668 OD2 ASP A 65 -8.788 -8.868 -8.505 1.00 0.00 O ATOM 0 H ASP A 65 -10.585 -9.059 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.321 -7.552 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.814 -10.152 -7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.668 -9.274 -9.048 1.00 0.00 H new ATOM 673 N ALA A 66 -13.440 -10.330 -6.055 1.00 0.00 N ATOM 674 CA ALA A 66 -14.650 -11.116 -5.841 1.00 0.00 C ATOM 675 C ALA A 66 -15.750 -10.246 -5.242 1.00 0.00 C ATOM 676 O ALA A 66 -16.939 -10.479 -5.468 1.00 0.00 O ATOM 677 CB ALA A 66 -14.365 -12.309 -4.942 1.00 0.00 C ATOM 0 H ALA A 66 -12.673 -10.558 -5.423 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.991 -11.491 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.281 -12.881 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.611 -12.944 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.998 -11.958 -3.977 1.00 0.00 H new ATOM 683 N LYS A 67 -15.343 -9.250 -4.465 1.00 0.00 N ATOM 684 CA LYS A 67 -16.273 -8.261 -3.937 1.00 0.00 C ATOM 685 C LYS A 67 -16.567 -7.195 -4.987 1.00 0.00 C ATOM 686 O LYS A 67 -17.655 -6.618 -5.022 1.00 0.00 O ATOM 687 CB LYS A 67 -15.706 -7.607 -2.674 1.00 0.00 C ATOM 688 CG LYS A 67 -15.828 -8.469 -1.429 1.00 0.00 C ATOM 689 CD LYS A 67 -17.285 -8.701 -1.068 1.00 0.00 C ATOM 690 CE LYS A 67 -17.434 -9.436 0.253 1.00 0.00 C ATOM 691 NZ LYS A 67 -18.862 -9.615 0.628 1.00 0.00 N ATOM 0 H LYS A 67 -14.372 -9.106 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.202 -8.770 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.655 -7.371 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.222 -6.662 -2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.334 -9.426 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.316 -7.986 -0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.801 -7.743 -1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.767 -9.275 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.952 -10.411 0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.919 -8.881 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.922 -10.120 1.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.316 -8.684 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.348 -10.166 -0.108 1.00 0.00 H new ATOM 705 N GLY A 68 -15.591 -6.948 -5.844 1.00 0.00 N ATOM 706 CA GLY A 68 -15.744 -5.949 -6.881 1.00 0.00 C ATOM 707 C GLY A 68 -15.001 -4.673 -6.549 1.00 0.00 C ATOM 708 O GLY A 68 -15.189 -3.648 -7.197 1.00 0.00 O ATOM 0 H GLY A 68 -14.689 -7.424 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.376 -6.348 -7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.802 -5.728 -7.019 1.00 0.00 H new ATOM 712 N GLY A 69 -14.154 -4.738 -5.532 1.00 0.00 N ATOM 713 CA GLY A 69 -13.401 -3.573 -5.122 1.00 0.00 C ATOM 714 C GLY A 69 -12.145 -3.402 -5.943 1.00 0.00 C ATOM 715 O GLY A 69 -11.403 -4.360 -6.153 1.00 0.00 O ATOM 0 H GLY A 69 -13.975 -5.579 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.024 -2.684 -5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.137 -3.662 -4.068 1.00 0.00 H new ATOM 719 N LYS A 70 -11.906 -2.189 -6.414 1.00 0.00 N ATOM 720 CA LYS A 70 -10.758 -1.918 -7.268 1.00 0.00 C ATOM 721 C LYS A 70 -9.503 -1.727 -6.430 1.00 0.00 C ATOM 722 O LYS A 70 -8.394 -2.054 -6.859 1.00 0.00 O ATOM 723 CB LYS A 70 -11.002 -0.670 -8.117 1.00 0.00 C ATOM 724 CG LYS A 70 -12.250 -0.744 -8.982 1.00 0.00 C ATOM 725 CD LYS A 70 -12.359 0.469 -9.888 1.00 0.00 C ATOM 726 CE LYS A 70 -13.636 0.444 -10.712 1.00 0.00 C ATOM 727 NZ LYS A 70 -13.664 1.544 -11.709 1.00 0.00 N ATOM 0 H LYS A 70 -12.490 -1.376 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.619 -2.774 -7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.080 0.195 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.137 -0.505 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.225 -1.651 -9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.133 -0.808 -8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.333 1.377 -9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.497 0.504 -10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.721 -0.514 -11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.498 0.529 -10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.549 1.497 -12.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.608 2.459 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.855 1.448 -12.355 1.00 0.00 H new ATOM 741 N TYR A 71 -9.683 -1.203 -5.228 1.00 0.00 N ATOM 742 CA TYR A 71 -8.564 -0.926 -4.347 1.00 0.00 C ATOM 743 C TYR A 71 -8.848 -1.467 -2.958 1.00 0.00 C ATOM 744 O TYR A 71 -9.998 -1.514 -2.526 1.00 0.00 O ATOM 745 CB TYR A 71 -8.297 0.582 -4.266 1.00 0.00 C ATOM 746 CG TYR A 71 -8.109 1.244 -5.611 1.00 0.00 C ATOM 747 CD1 TYR A 71 -7.017 0.938 -6.413 1.00 0.00 C ATOM 748 CD2 TYR A 71 -9.029 2.172 -6.083 1.00 0.00 C ATOM 749 CE1 TYR A 71 -6.848 1.537 -7.645 1.00 0.00 C ATOM 750 CE2 TYR A 71 -8.868 2.774 -7.316 1.00 0.00 C ATOM 751 CZ TYR A 71 -7.774 2.456 -8.092 1.00 0.00 C ATOM 752 OH TYR A 71 -7.612 3.049 -9.323 1.00 0.00 O ATOM 0 H TYR A 71 -10.595 -0.961 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.680 -1.417 -4.754 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.129 1.061 -3.749 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.406 0.751 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.288 0.220 -6.067 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -9.885 2.427 -5.476 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.994 1.287 -8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.595 3.490 -7.670 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.352 3.670 -9.487 1.00 0.00 H new ATOM 762 N TYR A 72 -7.805 -1.891 -2.274 1.00 0.00 N ATOM 763 CA TYR A 72 -7.926 -2.332 -0.897 1.00 0.00 C ATOM 764 C TYR A 72 -6.786 -1.767 -0.063 1.00 0.00 C ATOM 765 O TYR A 72 -5.784 -1.297 -0.602 1.00 0.00 O ATOM 766 CB TYR A 72 -7.960 -3.867 -0.802 1.00 0.00 C ATOM 767 CG TYR A 72 -6.828 -4.571 -1.521 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.561 -4.661 -0.957 1.00 0.00 C ATOM 769 CD2 TYR A 72 -7.033 -5.147 -2.766 1.00 0.00 C ATOM 770 CE1 TYR A 72 -4.533 -5.305 -1.617 1.00 0.00 C ATOM 771 CE2 TYR A 72 -6.010 -5.794 -3.430 1.00 0.00 C ATOM 772 CZ TYR A 72 -4.763 -5.869 -2.853 1.00 0.00 C ATOM 773 OH TYR A 72 -3.744 -6.508 -3.517 1.00 0.00 O ATOM 0 H TYR A 72 -6.858 -1.940 -2.651 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.870 -1.956 -0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.938 -4.153 0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.907 -4.222 -1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.378 -4.221 0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.009 -5.088 -3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.553 -5.366 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.188 -6.239 -4.398 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.949 -7.464 -3.589 1.00 0.00 H new ATOM 783 N HIS A 73 -6.952 -1.798 1.245 1.00 0.00 N ATOM 784 CA HIS A 73 -5.935 -1.305 2.159 1.00 0.00 C ATOM 785 C HIS A 73 -5.759 -2.265 3.325 1.00 0.00 C ATOM 786 O HIS A 73 -6.705 -2.525 4.061 1.00 0.00 O ATOM 787 CB HIS A 73 -6.312 0.088 2.682 1.00 0.00 C ATOM 788 CG HIS A 73 -5.405 0.591 3.766 1.00 0.00 C ATOM 789 ND1 HIS A 73 -4.111 1.001 3.535 1.00 0.00 N ATOM 790 CD2 HIS A 73 -5.608 0.721 5.099 1.00 0.00 C ATOM 791 CE1 HIS A 73 -3.555 1.357 4.679 1.00 0.00 C ATOM 792 NE2 HIS A 73 -4.442 1.198 5.644 1.00 0.00 N ATOM 0 H HIS A 73 -7.787 -2.162 1.703 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.993 -1.233 1.615 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.298 0.794 1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.334 0.060 3.059 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.654 1.026 2.624 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.518 0.492 5.634 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.545 1.718 4.804 1.00 0.00 H new ATOM 801 N ILE A 74 -4.553 -2.785 3.486 1.00 0.00 N ATOM 802 CA ILE A 74 -4.253 -3.666 4.604 1.00 0.00 C ATOM 803 C ILE A 74 -4.166 -2.863 5.895 1.00 0.00 C ATOM 804 O ILE A 74 -3.465 -1.852 5.960 1.00 0.00 O ATOM 805 CB ILE A 74 -2.930 -4.429 4.389 1.00 0.00 C ATOM 806 CG1 ILE A 74 -2.989 -5.239 3.092 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.640 -5.343 5.574 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.713 -5.992 2.788 1.00 0.00 C ATOM 0 H ILE A 74 -3.767 -2.613 2.859 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.061 -4.394 4.673 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.121 -3.703 4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.814 -5.949 3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.210 -4.566 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.703 -5.873 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.560 -4.746 6.483 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.450 -6.064 5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.829 -6.543 1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.888 -5.286 2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.501 -6.691 3.597 1.00 0.00 H new ATOM 820 N ILE A 75 -4.907 -3.294 6.903 1.00 0.00 N ATOM 821 CA ILE A 75 -4.878 -2.636 8.199 1.00 0.00 C ATOM 822 C ILE A 75 -4.153 -3.498 9.225 1.00 0.00 C ATOM 823 O ILE A 75 -3.629 -2.990 10.216 1.00 0.00 O ATOM 824 CB ILE A 75 -6.297 -2.306 8.713 1.00 0.00 C ATOM 825 CG1 ILE A 75 -7.177 -3.561 8.732 1.00 0.00 C ATOM 826 CG2 ILE A 75 -6.928 -1.218 7.857 1.00 0.00 C ATOM 827 CD1 ILE A 75 -8.575 -3.317 9.263 1.00 0.00 C ATOM 0 H ILE A 75 -5.535 -4.096 6.849 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.339 -1.698 8.065 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.216 -1.939 9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.247 -3.960 7.720 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.694 -4.324 9.343 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.928 -0.995 8.230 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.315 -0.318 7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.994 -1.560 6.824 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.139 -4.250 9.246 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.516 -2.947 10.287 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.078 -2.578 8.639 1.00 0.00 H new ATOM 839 N ALA A 76 -4.113 -4.803 8.974 1.00 0.00 N ATOM 840 CA ALA A 76 -3.457 -5.731 9.884 1.00 0.00 C ATOM 841 C ALA A 76 -3.014 -6.996 9.160 1.00 0.00 C ATOM 842 O ALA A 76 -3.838 -7.814 8.758 1.00 0.00 O ATOM 843 CB ALA A 76 -4.382 -6.084 11.042 1.00 0.00 C ATOM 0 H ALA A 76 -4.526 -5.239 8.150 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.568 -5.239 10.278 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.876 -6.779 11.713 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.644 -5.178 11.588 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.289 -6.549 10.655 1.00 0.00 H new ATOM 849 N ALA A 77 -1.710 -7.142 8.984 1.00 0.00 N ATOM 850 CA ALA A 77 -1.142 -8.349 8.401 1.00 0.00 C ATOM 851 C ALA A 77 -0.223 -9.020 9.414 1.00 0.00 C ATOM 852 O ALA A 77 0.965 -8.708 9.503 1.00 0.00 O ATOM 853 CB ALA A 77 -0.393 -8.032 7.114 1.00 0.00 C ATOM 0 H ALA A 77 -1.020 -6.435 9.238 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.951 -9.034 8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.022 -8.951 6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.079 -7.586 6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.416 -7.333 7.326 1.00 0.00 H new ATOM 859 N ARG A 78 -0.787 -9.932 10.186 1.00 0.00 N ATOM 860 CA ARG A 78 -0.074 -10.527 11.307 1.00 0.00 C ATOM 861 C ARG A 78 -0.139 -12.043 11.269 1.00 0.00 C ATOM 862 O ARG A 78 -1.181 -12.627 10.983 1.00 0.00 O ATOM 863 CB ARG A 78 -0.618 -9.995 12.639 1.00 0.00 C ATOM 864 CG ARG A 78 -2.027 -9.416 12.562 1.00 0.00 C ATOM 865 CD ARG A 78 -3.104 -10.480 12.394 1.00 0.00 C ATOM 866 NE ARG A 78 -3.178 -11.399 13.532 1.00 0.00 N ATOM 867 CZ ARG A 78 -3.446 -11.036 14.790 1.00 0.00 C ATOM 868 NH1 ARG A 78 -3.663 -9.760 15.095 1.00 0.00 N ATOM 869 NH2 ARG A 78 -3.519 -11.961 15.736 1.00 0.00 N ATOM 0 H ARG A 78 -1.738 -10.278 10.058 1.00 0.00 H new ATOM 0 HA ARG A 78 0.974 -10.240 11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.611 -10.805 13.369 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.058 -9.225 13.011 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.228 -8.844 13.468 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.081 -8.718 11.726 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.071 -9.994 12.262 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.907 -11.049 11.486 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.013 -12.389 13.351 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.626 -9.048 14.366 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.867 -9.493 16.058 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.371 -12.943 15.502 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.723 -11.691 16.698 1.00 0.00 H new ATOM 883 N GLU A 79 0.987 -12.668 11.558 1.00 0.00 N ATOM 884 CA GLU A 79 1.091 -14.117 11.526 1.00 0.00 C ATOM 885 C GLU A 79 0.899 -14.714 12.919 1.00 0.00 C ATOM 886 O GLU A 79 1.734 -14.546 13.813 1.00 0.00 O ATOM 887 CB GLU A 79 2.450 -14.520 10.948 1.00 0.00 C ATOM 888 CG GLU A 79 3.611 -13.817 11.624 1.00 0.00 C ATOM 889 CD GLU A 79 4.954 -14.163 11.029 1.00 0.00 C ATOM 890 OE1 GLU A 79 5.558 -15.167 11.457 1.00 0.00 O ATOM 891 OE2 GLU A 79 5.422 -13.413 10.148 1.00 0.00 O ATOM 0 H GLU A 79 1.850 -12.191 11.820 1.00 0.00 H new ATOM 0 HA GLU A 79 0.299 -14.510 10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.576 -15.598 11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.467 -14.295 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.460 -12.739 11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.615 -14.075 12.683 1.00 0.00 H new ATOM 898 N HIS A 80 -0.214 -15.395 13.104 1.00 0.00 N ATOM 899 CA HIS A 80 -0.481 -16.103 14.341 1.00 0.00 C ATOM 900 C HIS A 80 0.063 -17.522 14.226 1.00 0.00 C ATOM 901 O HIS A 80 -0.634 -18.437 13.788 1.00 0.00 O ATOM 902 CB HIS A 80 -1.987 -16.109 14.634 1.00 0.00 C ATOM 903 CG HIS A 80 -2.377 -16.866 15.867 1.00 0.00 C ATOM 904 ND1 HIS A 80 -3.227 -17.946 15.840 1.00 0.00 N ATOM 905 CD2 HIS A 80 -2.041 -16.688 17.162 1.00 0.00 C ATOM 906 CE1 HIS A 80 -3.398 -18.400 17.066 1.00 0.00 C ATOM 907 NE2 HIS A 80 -2.688 -17.654 17.891 1.00 0.00 N ATOM 0 H HIS A 80 -0.954 -15.474 12.407 1.00 0.00 H new ATOM 0 HA HIS A 80 0.015 -15.600 15.171 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.329 -15.079 14.732 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.509 -16.538 13.779 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.384 -15.925 17.553 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.015 -19.241 17.347 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.630 -17.775 18.902 1.00 0.00 H new ATOM 916 N GLY A 81 1.330 -17.684 14.574 1.00 0.00 N ATOM 917 CA GLY A 81 1.978 -18.964 14.391 1.00 0.00 C ATOM 918 C GLY A 81 2.292 -19.202 12.930 1.00 0.00 C ATOM 919 O GLY A 81 2.963 -18.389 12.296 1.00 0.00 O ATOM 0 H GLY A 81 1.918 -16.955 14.978 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.897 -18.998 14.976 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.333 -19.760 14.764 1.00 0.00 H new ATOM 923 N PRO A 82 1.809 -20.314 12.359 1.00 0.00 N ATOM 924 CA PRO A 82 1.938 -20.580 10.934 1.00 0.00 C ATOM 925 C PRO A 82 0.784 -19.978 10.135 1.00 0.00 C ATOM 926 O PRO A 82 0.756 -20.050 8.910 1.00 0.00 O ATOM 927 CB PRO A 82 1.893 -22.105 10.877 1.00 0.00 C ATOM 928 CG PRO A 82 1.013 -22.502 12.019 1.00 0.00 C ATOM 929 CD PRO A 82 1.129 -21.416 13.064 1.00 0.00 C ATOM 0 HA PRO A 82 2.839 -20.145 10.502 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.490 -22.454 9.926 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.890 -22.535 10.977 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.020 -22.612 11.690 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.321 -23.465 12.427 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.150 -21.110 13.432 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.703 -21.752 13.927 1.00 0.00 H new ATOM 937 N ASN A 83 -0.166 -19.377 10.841 1.00 0.00 N ATOM 938 CA ASN A 83 -1.363 -18.839 10.209 1.00 0.00 C ATOM 939 C ASN A 83 -1.232 -17.341 10.015 1.00 0.00 C ATOM 940 O ASN A 83 -1.343 -16.566 10.962 1.00 0.00 O ATOM 941 CB ASN A 83 -2.619 -19.147 11.038 1.00 0.00 C ATOM 942 CG ASN A 83 -3.060 -20.600 10.950 1.00 0.00 C ATOM 943 OD1 ASN A 83 -4.246 -20.910 11.086 1.00 0.00 O ATOM 944 ND2 ASN A 83 -2.118 -21.502 10.717 1.00 0.00 N ATOM 0 H ASN A 83 -0.130 -19.250 11.852 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.467 -19.320 9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.427 -18.896 12.081 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.434 -18.507 10.701 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.364 -22.489 10.645 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.147 -21.209 10.610 1.00 0.00 H new ATOM 951 N PHE A 84 -0.981 -16.941 8.785 1.00 0.00 N ATOM 952 CA PHE A 84 -0.828 -15.535 8.461 1.00 0.00 C ATOM 953 C PHE A 84 -2.194 -14.909 8.218 1.00 0.00 C ATOM 954 O PHE A 84 -2.938 -15.348 7.337 1.00 0.00 O ATOM 955 CB PHE A 84 0.079 -15.373 7.236 1.00 0.00 C ATOM 956 CG PHE A 84 0.344 -13.940 6.866 1.00 0.00 C ATOM 957 CD1 PHE A 84 1.332 -13.217 7.514 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.394 -13.319 5.871 1.00 0.00 C ATOM 959 CE1 PHE A 84 1.579 -11.900 7.177 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.150 -12.003 5.531 1.00 0.00 C ATOM 961 CZ PHE A 84 0.838 -11.292 6.184 1.00 0.00 C ATOM 0 H PHE A 84 -0.878 -17.571 7.990 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.359 -15.020 9.299 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.029 -15.871 7.430 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.379 -15.880 6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.916 -13.688 8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.168 -13.870 5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.351 -11.347 7.690 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.732 -11.529 4.754 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.030 -10.263 5.918 1.00 0.00 H new ATOM 971 N GLU A 85 -2.525 -13.906 9.020 1.00 0.00 N ATOM 972 CA GLU A 85 -3.822 -13.251 8.946 1.00 0.00 C ATOM 973 C GLU A 85 -3.679 -11.850 8.365 1.00 0.00 C ATOM 974 O GLU A 85 -3.135 -10.952 9.013 1.00 0.00 O ATOM 975 CB GLU A 85 -4.451 -13.157 10.340 1.00 0.00 C ATOM 976 CG GLU A 85 -4.207 -14.382 11.202 1.00 0.00 C ATOM 977 CD GLU A 85 -4.854 -14.280 12.567 1.00 0.00 C ATOM 978 OE1 GLU A 85 -6.075 -14.523 12.672 1.00 0.00 O ATOM 979 OE2 GLU A 85 -4.146 -13.944 13.539 1.00 0.00 O ATOM 0 H GLU A 85 -1.906 -13.526 9.736 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.466 -13.845 8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.054 -12.279 10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.525 -13.005 10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.591 -15.264 10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.134 -14.526 11.324 1.00 0.00 H new ATOM 986 N ALA A 86 -4.157 -11.669 7.147 1.00 0.00 N ATOM 987 CA ALA A 86 -4.116 -10.370 6.495 1.00 0.00 C ATOM 988 C ALA A 86 -5.515 -9.782 6.380 1.00 0.00 C ATOM 989 O ALA A 86 -6.351 -10.288 5.635 1.00 0.00 O ATOM 990 CB ALA A 86 -3.475 -10.484 5.123 1.00 0.00 C ATOM 0 H ALA A 86 -4.580 -12.408 6.586 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.511 -9.700 7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.453 -9.503 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.457 -10.860 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.055 -11.171 4.507 1.00 0.00 H new ATOM 996 N VAL A 87 -5.765 -8.727 7.133 1.00 0.00 N ATOM 997 CA VAL A 87 -7.056 -8.059 7.119 1.00 0.00 C ATOM 998 C VAL A 87 -6.958 -6.750 6.341 1.00 0.00 C ATOM 999 O VAL A 87 -6.120 -5.894 6.651 1.00 0.00 O ATOM 1000 CB VAL A 87 -7.553 -7.776 8.553 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -8.962 -7.203 8.534 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -7.496 -9.040 9.401 1.00 0.00 C ATOM 0 H VAL A 87 -5.085 -8.310 7.768 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.773 -8.720 6.632 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.892 -7.034 9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.291 -7.012 9.555 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.968 -6.270 7.970 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.638 -7.916 8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.850 -8.819 10.408 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.128 -9.807 8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.468 -9.400 9.449 1.00 0.00 H new ATOM 1012 N ALA A 88 -7.807 -6.598 5.332 1.00 0.00 N ATOM 1013 CA ALA A 88 -7.762 -5.431 4.464 1.00 0.00 C ATOM 1014 C ALA A 88 -9.157 -4.873 4.205 1.00 0.00 C ATOM 1015 O ALA A 88 -10.150 -5.597 4.272 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.086 -5.787 3.148 1.00 0.00 C ATOM 0 H ALA A 88 -8.536 -7.271 5.095 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.183 -4.658 4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.057 -4.908 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.069 -6.129 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.647 -6.580 2.654 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.219 -3.588 3.888 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.483 -2.927 3.596 1.00 0.00 C ATOM 1024 C GLU A 89 -10.648 -2.770 2.091 1.00 0.00 C ATOM 1025 O GLU A 89 -9.742 -2.292 1.416 1.00 0.00 O ATOM 1026 CB GLU A 89 -10.531 -1.547 4.252 1.00 0.00 C ATOM 1027 CG GLU A 89 -10.249 -1.556 5.743 1.00 0.00 C ATOM 1028 CD GLU A 89 -10.418 -0.185 6.363 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -9.471 0.626 6.299 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -11.510 0.089 6.908 1.00 0.00 O ATOM 0 H GLU A 89 -8.403 -2.979 3.826 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.292 -3.540 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.806 -0.898 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.515 -1.111 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.920 -2.261 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.233 -1.909 5.917 1.00 0.00 H new ATOM 1037 N VAL A 90 -11.801 -3.170 1.576 1.00 0.00 N ATOM 1038 CA VAL A 90 -12.060 -3.128 0.141 1.00 0.00 C ATOM 1039 C VAL A 90 -12.835 -1.868 -0.235 1.00 0.00 C ATOM 1040 O VAL A 90 -13.892 -1.586 0.334 1.00 0.00 O ATOM 1041 CB VAL A 90 -12.855 -4.369 -0.315 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.073 -4.355 -1.819 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.144 -5.644 0.108 1.00 0.00 C ATOM 0 H VAL A 90 -12.577 -3.529 2.132 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.094 -3.119 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.831 -4.340 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.636 -5.241 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.631 -3.461 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.108 -4.353 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.720 -6.508 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.152 -5.674 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.049 -5.665 1.194 1.00 0.00 H new ATOM 1053 N TYR A 91 -12.314 -1.121 -1.198 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.934 0.122 -1.630 1.00 0.00 C ATOM 1055 C TYR A 91 -13.284 0.091 -3.117 1.00 0.00 C ATOM 1056 O TYR A 91 -12.624 -0.574 -3.920 1.00 0.00 O ATOM 1057 CB TYR A 91 -12.011 1.308 -1.335 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.987 1.720 0.122 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -11.198 1.053 1.050 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -12.754 2.788 0.564 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -11.180 1.440 2.379 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -12.740 3.181 1.887 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.950 2.507 2.790 1.00 0.00 C ATOM 1064 OH TYR A 91 -11.935 2.902 4.110 1.00 0.00 O ATOM 0 H TYR A 91 -11.457 -1.357 -1.698 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.861 0.238 -1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.998 1.054 -1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.326 2.160 -1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -10.589 0.220 0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.374 3.322 -0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -10.566 0.908 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.346 4.014 2.212 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.533 3.669 4.229 1.00 0.00 H new ATOM 1074 N ASN A 92 -14.335 0.817 -3.465 1.00 0.00 N ATOM 1075 CA ASN A 92 -14.804 0.922 -4.839 1.00 0.00 C ATOM 1076 C ASN A 92 -14.974 2.402 -5.197 1.00 0.00 C ATOM 1077 O ASN A 92 -14.724 3.275 -4.362 1.00 0.00 O ATOM 1078 CB ASN A 92 -16.133 0.159 -4.991 1.00 0.00 C ATOM 1079 CG ASN A 92 -16.572 -0.033 -6.436 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -17.260 0.808 -7.007 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -16.196 -1.150 -7.031 1.00 0.00 N ATOM 0 H ASN A 92 -14.890 1.353 -2.798 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.078 0.478 -5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.036 -0.818 -4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.913 0.697 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.477 -1.335 -7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.624 -1.828 -6.528 1.00 0.00 H new ATOM 1088 N ASP A 93 -15.398 2.679 -6.422 1.00 0.00 N ATOM 1089 CA ASP A 93 -15.554 4.048 -6.899 1.00 0.00 C ATOM 1090 C ASP A 93 -16.916 4.601 -6.478 1.00 0.00 C ATOM 1091 O ASP A 93 -17.847 3.842 -6.206 1.00 0.00 O ATOM 1092 CB ASP A 93 -15.414 4.084 -8.426 1.00 0.00 C ATOM 1093 CG ASP A 93 -15.243 5.488 -8.973 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -16.258 6.168 -9.217 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -14.086 5.917 -9.166 1.00 0.00 O ATOM 0 H ASP A 93 -15.642 1.967 -7.110 1.00 0.00 H new ATOM 0 HA ASP A 93 -14.776 4.670 -6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.557 3.478 -8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.296 3.629 -8.877 1.00 0.00 H new ATOM 1100 N ALA A 94 -17.034 5.921 -6.445 1.00 0.00 N ATOM 1101 CA ALA A 94 -18.259 6.575 -5.993 1.00 0.00 C ATOM 1102 C ALA A 94 -19.234 6.798 -7.149 1.00 0.00 C ATOM 1103 O ALA A 94 -20.104 7.667 -7.087 1.00 0.00 O ATOM 1104 CB ALA A 94 -17.922 7.899 -5.322 1.00 0.00 C ATOM 0 H ALA A 94 -16.294 6.564 -6.727 1.00 0.00 H new ATOM 0 HA ALA A 94 -18.747 5.919 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -18.840 8.381 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -17.274 7.718 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -17.410 8.547 -6.033 1.00 0.00 H new ATOM 1290 N ALA B 22 8.772 -0.812 -8.440 1.00 0.00 N ATOM 1291 CA ALA B 22 8.467 -0.793 -6.994 1.00 0.00 C ATOM 1292 C ALA B 22 6.970 -0.936 -6.759 1.00 0.00 C ATOM 1293 O ALA B 22 6.168 -0.745 -7.677 1.00 0.00 O ATOM 1294 CB ALA B 22 8.982 0.494 -6.365 1.00 0.00 C ATOM 0 HA ALA B 22 8.969 -1.638 -6.524 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.751 0.496 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA B 22 10.061 0.560 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.503 1.349 -6.842 1.00 0.00 H new ATOM 1302 N GLU B 23 6.600 -1.284 -5.534 1.00 0.00 N ATOM 1303 CA GLU B 23 5.199 -1.437 -5.170 1.00 0.00 C ATOM 1304 C GLU B 23 4.945 -0.885 -3.774 1.00 0.00 C ATOM 1305 O GLU B 23 5.871 -0.746 -2.973 1.00 0.00 O ATOM 1306 CB GLU B 23 4.786 -2.909 -5.236 1.00 0.00 C ATOM 1307 CG GLU B 23 3.691 -3.187 -6.254 1.00 0.00 C ATOM 1308 CD GLU B 23 2.340 -2.623 -5.848 1.00 0.00 C ATOM 1309 OE1 GLU B 23 2.247 -1.405 -5.576 1.00 0.00 O ATOM 1310 OE2 GLU B 23 1.367 -3.404 -5.786 1.00 0.00 O ATOM 0 H GLU B 23 7.254 -1.466 -4.773 1.00 0.00 H new ATOM 0 HA GLU B 23 4.598 -0.872 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.660 -3.513 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU B 23 4.444 -3.227 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU B 23 3.981 -2.762 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU B 23 3.600 -4.264 -6.396 1.00 0.00 H new ATOM 1317 N GLN B 24 3.690 -0.572 -3.492 1.00 0.00 N ATOM 1318 CA GLN B 24 3.311 -0.002 -2.210 1.00 0.00 C ATOM 1319 C GLN B 24 3.004 -1.106 -1.210 1.00 0.00 C ATOM 1320 O GLN B 24 2.092 -1.902 -1.417 1.00 0.00 O ATOM 1321 CB GLN B 24 2.085 0.897 -2.362 1.00 0.00 C ATOM 1322 CG GLN B 24 1.789 1.724 -1.121 1.00 0.00 C ATOM 1323 CD GLN B 24 0.427 2.381 -1.165 1.00 0.00 C ATOM 1324 OE1 GLN B 24 -0.553 1.819 -0.684 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.357 3.566 -1.748 1.00 0.00 N ATOM 0 H GLN B 24 2.913 -0.704 -4.139 1.00 0.00 H new ATOM 0 HA GLN B 24 4.148 0.594 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN B 24 2.237 1.566 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.217 0.280 -2.595 1.00 0.00 H new ATOM 0 HG2 GLN B 24 1.850 1.084 -0.241 1.00 0.00 H new ATOM 0 HG3 GLN B 24 2.554 2.492 -1.011 1.00 0.00 H new ATOM 0 HE21 GLN B 24 1.198 3.995 -2.134 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.538 4.051 -1.812 1.00 0.00 H new ATOM 1334 N VAL B 25 3.762 -1.151 -0.133 1.00 0.00 N ATOM 1335 CA VAL B 25 3.542 -2.139 0.907 1.00 0.00 C ATOM 1336 C VAL B 25 3.075 -1.469 2.190 1.00 0.00 C ATOM 1337 O VAL B 25 3.474 -0.343 2.499 1.00 0.00 O ATOM 1338 CB VAL B 25 4.810 -2.973 1.191 1.00 0.00 C ATOM 1339 CG1 VAL B 25 5.137 -3.868 0.006 1.00 0.00 C ATOM 1340 CG2 VAL B 25 5.990 -2.069 1.520 1.00 0.00 C ATOM 0 H VAL B 25 4.538 -0.514 0.046 1.00 0.00 H new ATOM 0 HA VAL B 25 2.767 -2.815 0.545 1.00 0.00 H new ATOM 0 HB VAL B 25 4.614 -3.605 2.057 1.00 0.00 H new ATOM 0 HG11 VAL B 25 6.034 -4.448 0.225 1.00 0.00 H new ATOM 0 HG12 VAL B 25 4.303 -4.545 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL B 25 5.309 -3.253 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL B 25 6.872 -2.679 1.716 1.00 0.00 H new ATOM 0 HG22 VAL B 25 6.187 -1.407 0.677 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.757 -1.473 2.403 1.00 0.00 H new ATOM 1350 N SER B 26 2.213 -2.150 2.920 1.00 0.00 N ATOM 1351 CA SER B 26 1.721 -1.639 4.181 1.00 0.00 C ATOM 1352 C SER B 26 2.774 -1.819 5.271 1.00 0.00 C ATOM 1353 O SER B 26 3.673 -2.656 5.148 1.00 0.00 O ATOM 1354 CB SER B 26 0.421 -2.353 4.563 1.00 0.00 C ATOM 1355 OG SER B 26 0.599 -3.757 4.578 1.00 0.00 O ATOM 0 H SER B 26 1.839 -3.062 2.659 1.00 0.00 H new ATOM 0 HA SER B 26 1.515 -0.574 4.076 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.091 -2.014 5.545 1.00 0.00 H new ATOM 0 HB3 SER B 26 -0.364 -2.090 3.854 1.00 0.00 H new ATOM 0 HG SER B 26 -0.108 -4.171 5.116 1.00 0.00 H new ATOM 1361 N LYS B 27 2.659 -1.031 6.338 1.00 0.00 N ATOM 1362 CA LYS B 27 3.584 -1.114 7.466 1.00 0.00 C ATOM 1363 C LYS B 27 3.560 -2.529 8.046 1.00 0.00 C ATOM 1364 O LYS B 27 4.554 -3.018 8.586 1.00 0.00 O ATOM 1365 CB LYS B 27 3.185 -0.088 8.536 1.00 0.00 C ATOM 1366 CG LYS B 27 4.132 0.005 9.730 1.00 0.00 C ATOM 1367 CD LYS B 27 5.302 0.955 9.480 1.00 0.00 C ATOM 1368 CE LYS B 27 6.371 0.344 8.586 1.00 0.00 C ATOM 1369 NZ LYS B 27 7.565 1.225 8.472 1.00 0.00 N ATOM 0 H LYS B 27 1.931 -0.325 6.445 1.00 0.00 H new ATOM 0 HA LYS B 27 4.596 -0.891 7.127 1.00 0.00 H new ATOM 0 HB2 LYS B 27 3.118 0.894 8.068 1.00 0.00 H new ATOM 0 HB3 LYS B 27 2.188 -0.336 8.901 1.00 0.00 H new ATOM 0 HG2 LYS B 27 3.576 0.342 10.605 1.00 0.00 H new ATOM 0 HG3 LYS B 27 4.518 -0.988 9.961 1.00 0.00 H new ATOM 0 HD2 LYS B 27 4.930 1.871 9.021 1.00 0.00 H new ATOM 0 HD3 LYS B 27 5.748 1.235 10.434 1.00 0.00 H new ATOM 0 HE2 LYS B 27 6.671 -0.624 8.987 1.00 0.00 H new ATOM 0 HE3 LYS B 27 5.956 0.164 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 8.355 0.688 8.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 7.342 2.035 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 7.834 1.569 9.416 1.00 0.00 H new ATOM 1383 N GLN B 28 2.416 -3.178 7.898 1.00 0.00 N ATOM 1384 CA GLN B 28 2.220 -4.538 8.367 1.00 0.00 C ATOM 1385 C GLN B 28 3.023 -5.522 7.515 1.00 0.00 C ATOM 1386 O GLN B 28 3.661 -6.434 8.045 1.00 0.00 O ATOM 1387 CB GLN B 28 0.731 -4.902 8.332 1.00 0.00 C ATOM 1388 CG GLN B 28 -0.145 -4.098 9.293 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.268 -2.629 8.921 1.00 0.00 C ATOM 1390 OE1 GLN B 28 -0.193 -2.257 7.750 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -0.461 -1.784 9.920 1.00 0.00 N ATOM 0 H GLN B 28 1.595 -2.774 7.447 1.00 0.00 H new ATOM 0 HA GLN B 28 2.574 -4.602 9.396 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.360 -4.759 7.317 1.00 0.00 H new ATOM 0 HB3 GLN B 28 0.624 -5.962 8.564 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -1.140 -4.541 9.321 1.00 0.00 H new ATOM 0 HG3 GLN B 28 0.267 -4.176 10.299 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -0.518 -2.131 10.878 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -0.553 -0.786 9.733 1.00 0.00 H new ATOM 1400 N GLU B 29 3.010 -5.322 6.196 1.00 0.00 N ATOM 1401 CA GLU B 29 3.760 -6.183 5.286 1.00 0.00 C ATOM 1402 C GLU B 29 5.252 -6.047 5.555 1.00 0.00 C ATOM 1403 O GLU B 29 5.982 -7.039 5.615 1.00 0.00 O ATOM 1404 CB GLU B 29 3.457 -5.830 3.824 1.00 0.00 C ATOM 1405 CG GLU B 29 2.056 -6.209 3.378 1.00 0.00 C ATOM 1406 CD GLU B 29 1.706 -5.649 2.013 1.00 0.00 C ATOM 1407 OE1 GLU B 29 1.242 -4.488 1.950 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.887 -6.358 1.000 1.00 0.00 O ATOM 0 H GLU B 29 2.490 -4.574 5.737 1.00 0.00 H new ATOM 0 HA GLU B 29 3.455 -7.215 5.460 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.595 -4.758 3.683 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.181 -6.332 3.182 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.968 -7.295 3.354 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.335 -5.847 4.111 1.00 0.00 H new ATOM 1415 N ILE B 30 5.682 -4.806 5.744 1.00 0.00 N ATOM 1416 CA ILE B 30 7.074 -4.499 6.045 1.00 0.00 C ATOM 1417 C ILE B 30 7.550 -5.248 7.287 1.00 0.00 C ATOM 1418 O ILE B 30 8.676 -5.744 7.331 1.00 0.00 O ATOM 1419 CB ILE B 30 7.266 -2.983 6.262 1.00 0.00 C ATOM 1420 CG1 ILE B 30 6.905 -2.216 4.988 1.00 0.00 C ATOM 1421 CG2 ILE B 30 8.693 -2.677 6.686 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.967 -0.712 5.140 1.00 0.00 C ATOM 0 H ILE B 30 5.077 -3.986 5.693 1.00 0.00 H new ATOM 0 HA ILE B 30 7.668 -4.820 5.190 1.00 0.00 H new ATOM 0 HB ILE B 30 6.599 -2.661 7.062 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.582 -2.519 4.189 1.00 0.00 H new ATOM 0 HG13 ILE B 30 5.899 -2.499 4.678 1.00 0.00 H new ATOM 0 HG21 ILE B 30 8.806 -1.603 6.834 1.00 0.00 H new ATOM 0 HG22 ILE B 30 8.915 -3.197 7.618 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.383 -3.012 5.911 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.698 -0.239 4.195 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.269 -0.396 5.915 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.978 -0.416 5.419 1.00 0.00 H new ATOM 1434 N SER B 31 6.682 -5.339 8.282 1.00 0.00 N ATOM 1435 CA SER B 31 7.024 -5.990 9.536 1.00 0.00 C ATOM 1436 C SER B 31 7.143 -7.506 9.362 1.00 0.00 C ATOM 1437 O SER B 31 8.012 -8.137 9.959 1.00 0.00 O ATOM 1438 CB SER B 31 5.973 -5.654 10.594 1.00 0.00 C ATOM 1439 OG SER B 31 5.809 -4.248 10.708 1.00 0.00 O ATOM 0 H SER B 31 5.732 -4.969 8.245 1.00 0.00 H new ATOM 0 HA SER B 31 7.995 -5.619 9.863 1.00 0.00 H new ATOM 0 HB2 SER B 31 5.022 -6.116 10.329 1.00 0.00 H new ATOM 0 HB3 SER B 31 6.272 -6.070 11.556 1.00 0.00 H new ATOM 0 HG SER B 31 5.386 -3.901 9.895 1.00 0.00 H new ATOM 1445 N HIS B 32 6.277 -8.083 8.529 1.00 0.00 N ATOM 1446 CA HIS B 32 6.296 -9.525 8.287 1.00 0.00 C ATOM 1447 C HIS B 32 7.571 -9.946 7.560 1.00 0.00 C ATOM 1448 O HIS B 32 8.250 -10.879 7.983 1.00 0.00 O ATOM 1449 CB HIS B 32 5.057 -9.959 7.487 1.00 0.00 C ATOM 1450 CG HIS B 32 5.132 -11.363 6.944 1.00 0.00 C ATOM 1451 ND1 HIS B 32 5.114 -12.492 7.735 1.00 0.00 N ATOM 1452 CD2 HIS B 32 5.238 -11.809 5.668 1.00 0.00 C ATOM 1453 CE1 HIS B 32 5.205 -13.564 6.973 1.00 0.00 C ATOM 1454 NE2 HIS B 32 5.283 -13.182 5.715 1.00 0.00 N ATOM 0 H HIS B 32 5.557 -7.577 8.013 1.00 0.00 H new ATOM 0 HA HIS B 32 6.277 -10.024 9.256 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.178 -9.875 8.126 1.00 0.00 H new ATOM 0 HB3 HIS B 32 4.914 -9.268 6.657 1.00 0.00 H new ATOM 0 HD1 HIS B 32 5.041 -12.497 8.752 1.00 0.00 H new ATOM 0 HD2 HIS B 32 5.279 -11.198 4.778 1.00 0.00 H new ATOM 0 HE1 HIS B 32 5.214 -14.586 7.322 1.00 0.00 H new ATOM 1463 N PHE B 33 7.890 -9.258 6.473 1.00 0.00 N ATOM 1464 CA PHE B 33 9.058 -9.610 5.669 1.00 0.00 C ATOM 1465 C PHE B 33 10.337 -9.086 6.309 1.00 0.00 C ATOM 1466 O PHE B 33 11.432 -9.552 5.993 1.00 0.00 O ATOM 1467 CB PHE B 33 8.919 -9.060 4.247 1.00 0.00 C ATOM 1468 CG PHE B 33 7.745 -9.621 3.494 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.776 -10.916 3.002 1.00 0.00 C ATOM 1470 CD2 PHE B 33 6.610 -8.856 3.280 1.00 0.00 C ATOM 1471 CE1 PHE B 33 6.698 -11.436 2.313 1.00 0.00 C ATOM 1472 CE2 PHE B 33 5.529 -9.370 2.592 1.00 0.00 C ATOM 1473 CZ PHE B 33 5.573 -10.662 2.108 1.00 0.00 C ATOM 0 H PHE B 33 7.362 -8.457 6.127 1.00 0.00 H new ATOM 0 HA PHE B 33 9.116 -10.697 5.621 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.824 -7.975 4.294 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.832 -9.276 3.692 1.00 0.00 H new ATOM 0 HD1 PHE B 33 8.653 -11.526 3.159 1.00 0.00 H new ATOM 0 HD2 PHE B 33 6.570 -7.844 3.656 1.00 0.00 H new ATOM 0 HE1 PHE B 33 6.735 -12.447 1.935 1.00 0.00 H new ATOM 0 HE2 PHE B 33 4.651 -8.762 2.433 1.00 0.00 H new ATOM 0 HZ PHE B 33 4.729 -11.067 1.570 1.00 0.00 H new ATOM 1483 N LYS B 34 10.178 -8.124 7.215 1.00 0.00 N ATOM 1484 CA LYS B 34 11.301 -7.471 7.882 1.00 0.00 C ATOM 1485 C LYS B 34 12.208 -6.815 6.846 1.00 0.00 C ATOM 1486 O LYS B 34 13.370 -7.191 6.672 1.00 0.00 O ATOM 1487 CB LYS B 34 12.079 -8.466 8.752 1.00 0.00 C ATOM 1488 CG LYS B 34 12.986 -7.806 9.782 1.00 0.00 C ATOM 1489 CD LYS B 34 12.192 -6.964 10.772 1.00 0.00 C ATOM 1490 CE LYS B 34 11.212 -7.807 11.579 1.00 0.00 C ATOM 1491 NZ LYS B 34 11.902 -8.826 12.415 1.00 0.00 N ATOM 0 H LYS B 34 9.265 -7.775 7.508 1.00 0.00 H new ATOM 0 HA LYS B 34 10.914 -6.696 8.544 1.00 0.00 H new ATOM 0 HB2 LYS B 34 11.371 -9.114 9.268 1.00 0.00 H new ATOM 0 HB3 LYS B 34 12.683 -9.104 8.106 1.00 0.00 H new ATOM 0 HG2 LYS B 34 13.544 -8.572 10.321 1.00 0.00 H new ATOM 0 HG3 LYS B 34 13.717 -7.178 9.274 1.00 0.00 H new ATOM 0 HD2 LYS B 34 12.879 -6.457 11.450 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.646 -6.189 10.234 1.00 0.00 H new ATOM 0 HE2 LYS B 34 10.618 -7.156 12.220 1.00 0.00 H new ATOM 0 HE3 LYS B 34 10.519 -8.305 10.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 11.219 -9.259 13.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 12.308 -9.561 11.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 12.662 -8.371 12.960 1.00 0.00 H new ATOM 1505 N LEU B 35 11.646 -5.845 6.142 1.00 0.00 N ATOM 1506 CA LEU B 35 12.356 -5.150 5.081 1.00 0.00 C ATOM 1507 C LEU B 35 13.306 -4.111 5.661 1.00 0.00 C ATOM 1508 O LEU B 35 13.079 -3.590 6.752 1.00 0.00 O ATOM 1509 CB LEU B 35 11.358 -4.473 4.137 1.00 0.00 C ATOM 1510 CG LEU B 35 10.353 -5.412 3.470 1.00 0.00 C ATOM 1511 CD1 LEU B 35 9.317 -4.615 2.692 1.00 0.00 C ATOM 1512 CD2 LEU B 35 11.066 -6.394 2.552 1.00 0.00 C ATOM 0 H LEU B 35 10.691 -5.519 6.289 1.00 0.00 H new ATOM 0 HA LEU B 35 12.940 -5.881 4.522 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.808 -3.717 4.697 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.915 -3.951 3.359 1.00 0.00 H new ATOM 0 HG LEU B 35 9.842 -5.978 4.249 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.609 -5.298 2.223 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.784 -3.950 3.372 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.815 -4.024 1.923 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.334 -7.054 2.086 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.603 -5.845 1.779 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.772 -6.988 3.132 1.00 0.00 H new ATOM 1524 N VAL B 36 14.364 -3.814 4.925 1.00 0.00 N ATOM 1525 CA VAL B 36 15.336 -2.819 5.343 1.00 0.00 C ATOM 1526 C VAL B 36 14.956 -1.453 4.782 1.00 0.00 C ATOM 1527 O VAL B 36 14.701 -1.315 3.585 1.00 0.00 O ATOM 1528 CB VAL B 36 16.759 -3.192 4.867 1.00 0.00 C ATOM 1529 CG1 VAL B 36 17.781 -2.166 5.334 1.00 0.00 C ATOM 1530 CG2 VAL B 36 17.137 -4.585 5.352 1.00 0.00 C ATOM 0 H VAL B 36 14.572 -4.252 4.028 1.00 0.00 H new ATOM 0 HA VAL B 36 15.334 -2.785 6.432 1.00 0.00 H new ATOM 0 HB VAL B 36 16.760 -3.193 3.777 1.00 0.00 H new ATOM 0 HG11 VAL B 36 18.772 -2.455 4.984 1.00 0.00 H new ATOM 0 HG12 VAL B 36 17.525 -1.187 4.930 1.00 0.00 H new ATOM 0 HG13 VAL B 36 17.779 -2.120 6.423 1.00 0.00 H new ATOM 0 HG21 VAL B 36 18.142 -4.830 5.007 1.00 0.00 H new ATOM 0 HG22 VAL B 36 17.111 -4.611 6.441 1.00 0.00 H new ATOM 0 HG23 VAL B 36 16.430 -5.313 4.955 1.00 0.00 H new ATOM 1540 N LYS B 37 14.898 -0.454 5.647 1.00 0.00 N ATOM 1541 CA LYS B 37 14.551 0.892 5.227 1.00 0.00 C ATOM 1542 C LYS B 37 15.772 1.565 4.612 1.00 0.00 C ATOM 1543 O LYS B 37 16.710 1.939 5.315 1.00 0.00 O ATOM 1544 CB LYS B 37 14.010 1.698 6.417 1.00 0.00 C ATOM 1545 CG LYS B 37 13.367 3.030 6.041 1.00 0.00 C ATOM 1546 CD LYS B 37 14.393 4.137 5.885 1.00 0.00 C ATOM 1547 CE LYS B 37 15.052 4.473 7.213 1.00 0.00 C ATOM 1548 NZ LYS B 37 16.192 5.413 7.053 1.00 0.00 N ATOM 0 H LYS B 37 15.087 -0.551 6.645 1.00 0.00 H new ATOM 0 HA LYS B 37 13.765 0.847 4.473 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.275 1.091 6.946 1.00 0.00 H new ATOM 0 HB3 LYS B 37 14.828 1.887 7.113 1.00 0.00 H new ATOM 0 HG2 LYS B 37 12.815 2.915 5.108 1.00 0.00 H new ATOM 0 HG3 LYS B 37 12.644 3.312 6.807 1.00 0.00 H new ATOM 0 HD2 LYS B 37 15.154 3.832 5.167 1.00 0.00 H new ATOM 0 HD3 LYS B 37 13.911 5.027 5.480 1.00 0.00 H new ATOM 0 HE2 LYS B 37 14.313 4.912 7.883 1.00 0.00 H new ATOM 0 HE3 LYS B 37 15.404 3.555 7.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 16.610 5.613 7.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 16.911 4.985 6.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 15.854 6.300 6.627 1.00 0.00 H new ATOM 1562 N VAL B 38 15.754 1.696 3.294 1.00 0.00 N ATOM 1563 CA VAL B 38 16.863 2.288 2.561 1.00 0.00 C ATOM 1564 C VAL B 38 16.905 3.795 2.779 1.00 0.00 C ATOM 1565 O VAL B 38 17.965 4.370 3.022 1.00 0.00 O ATOM 1566 CB VAL B 38 16.753 1.996 1.047 1.00 0.00 C ATOM 1567 CG1 VAL B 38 17.951 2.559 0.293 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.619 0.500 0.799 1.00 0.00 C ATOM 0 H VAL B 38 14.976 1.397 2.706 1.00 0.00 H new ATOM 0 HA VAL B 38 17.781 1.839 2.940 1.00 0.00 H new ATOM 0 HB VAL B 38 15.857 2.490 0.672 1.00 0.00 H new ATOM 0 HG11 VAL B 38 17.848 2.339 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL B 38 17.997 3.638 0.438 1.00 0.00 H new ATOM 0 HG13 VAL B 38 18.866 2.103 0.671 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.543 0.314 -0.272 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.495 -0.014 1.195 1.00 0.00 H new ATOM 0 HG23 VAL B 38 15.723 0.128 1.296 1.00 0.00 H new ATOM 1578 N GLY B 39 15.740 4.426 2.703 1.00 0.00 N ATOM 1579 CA GLY B 39 15.659 5.860 2.875 1.00 0.00 C ATOM 1580 C GLY B 39 14.228 6.349 2.887 1.00 0.00 C ATOM 1581 O GLY B 39 13.296 5.548 2.953 1.00 0.00 O ATOM 0 H GLY B 39 14.847 3.966 2.524 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.146 6.141 3.809 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.204 6.353 2.070 1.00 0.00 H new ATOM 1585 N THR B 40 14.054 7.657 2.817 1.00 0.00 N ATOM 1586 CA THR B 40 12.732 8.259 2.821 1.00 0.00 C ATOM 1587 C THR B 40 12.593 9.230 1.653 1.00 0.00 C ATOM 1588 O THR B 40 13.483 10.045 1.404 1.00 0.00 O ATOM 1589 CB THR B 40 12.474 8.995 4.153 1.00 0.00 C ATOM 1590 OG1 THR B 40 12.613 8.077 5.247 1.00 0.00 O ATOM 1591 CG2 THR B 40 11.085 9.618 4.189 1.00 0.00 C ATOM 0 H THR B 40 14.820 8.328 2.756 1.00 0.00 H new ATOM 0 HA THR B 40 11.992 7.466 2.714 1.00 0.00 H new ATOM 0 HB THR B 40 13.208 9.796 4.240 1.00 0.00 H new ATOM 0 HG1 THR B 40 12.450 8.547 6.091 1.00 0.00 H new ATOM 0 HG21 THR B 40 10.939 10.127 5.142 1.00 0.00 H new ATOM 0 HG22 THR B 40 10.987 10.336 3.375 1.00 0.00 H new ATOM 0 HG23 THR B 40 10.333 8.837 4.076 1.00 0.00 H new ATOM 1599 N ILE B 41 11.487 9.127 0.930 1.00 0.00 N ATOM 1600 CA ILE B 41 11.247 9.980 -0.221 1.00 0.00 C ATOM 1601 C ILE B 41 10.040 10.874 0.015 1.00 0.00 C ATOM 1602 O ILE B 41 9.086 10.482 0.685 1.00 0.00 O ATOM 1603 CB ILE B 41 11.025 9.160 -1.512 1.00 0.00 C ATOM 1604 CG1 ILE B 41 9.926 8.110 -1.297 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.327 8.505 -1.955 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.586 7.314 -2.541 1.00 0.00 C ATOM 0 H ILE B 41 10.741 8.459 1.122 1.00 0.00 H new ATOM 0 HA ILE B 41 12.139 10.592 -0.351 1.00 0.00 H new ATOM 0 HB ILE B 41 10.698 9.834 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.242 7.422 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.025 8.609 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.154 7.931 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.074 9.275 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.685 7.840 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.802 6.593 -2.309 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.238 7.990 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.474 6.785 -2.888 1.00 0.00 H new ATOM 1618 N ASN B 42 10.094 12.079 -0.522 1.00 0.00 N ATOM 1619 CA ASN B 42 8.983 13.008 -0.411 1.00 0.00 C ATOM 1620 C ASN B 42 8.655 13.608 -1.770 1.00 0.00 C ATOM 1621 O ASN B 42 9.531 14.111 -2.477 1.00 0.00 O ATOM 1622 CB ASN B 42 9.276 14.116 0.615 1.00 0.00 C ATOM 1623 CG ASN B 42 10.478 14.984 0.266 1.00 0.00 C ATOM 1624 OD1 ASN B 42 11.456 14.523 -0.324 1.00 0.00 O ATOM 1625 ND2 ASN B 42 10.409 16.254 0.634 1.00 0.00 N ATOM 0 H ASN B 42 10.896 12.438 -1.040 1.00 0.00 H new ATOM 0 HA ASN B 42 8.116 12.451 -0.056 1.00 0.00 H new ATOM 0 HB2 ASN B 42 8.396 14.753 0.708 1.00 0.00 H new ATOM 0 HB3 ASN B 42 9.442 13.659 1.590 1.00 0.00 H new ATOM 0 HD21 ASN B 42 11.183 16.887 0.430 1.00 0.00 H new ATOM 0 HD22 ASN B 42 9.582 16.600 1.121 1.00 0.00 H new ATOM 1632 N VAL B 43 7.395 13.519 -2.147 1.00 0.00 N ATOM 1633 CA VAL B 43 6.931 14.062 -3.410 1.00 0.00 C ATOM 1634 C VAL B 43 6.233 15.393 -3.182 1.00 0.00 C ATOM 1635 O VAL B 43 5.098 15.427 -2.705 1.00 0.00 O ATOM 1636 CB VAL B 43 5.965 13.090 -4.125 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.547 13.635 -5.481 1.00 0.00 C ATOM 1638 CG2 VAL B 43 6.596 11.716 -4.277 1.00 0.00 C ATOM 0 H VAL B 43 6.667 13.071 -1.591 1.00 0.00 H new ATOM 0 HA VAL B 43 7.804 14.208 -4.047 1.00 0.00 H new ATOM 0 HB VAL B 43 5.072 12.993 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL B 43 4.868 12.931 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.044 14.593 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL B 43 6.430 13.772 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL B 43 5.898 11.049 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL B 43 7.510 11.798 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL B 43 6.833 11.314 -3.292 1.00 0.00 H new ATOM 1648 N SER B 44 6.922 16.480 -3.491 1.00 0.00 N ATOM 1649 CA SER B 44 6.355 17.811 -3.349 1.00 0.00 C ATOM 1650 C SER B 44 6.009 18.371 -4.726 1.00 0.00 C ATOM 1651 O SER B 44 6.897 18.708 -5.510 1.00 0.00 O ATOM 1652 CB SER B 44 7.349 18.732 -2.639 1.00 0.00 C ATOM 1653 OG SER B 44 7.960 18.074 -1.541 1.00 0.00 O ATOM 0 H SER B 44 7.879 16.466 -3.843 1.00 0.00 H new ATOM 0 HA SER B 44 5.446 17.751 -2.750 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.114 19.058 -3.343 1.00 0.00 H new ATOM 0 HB3 SER B 44 6.835 19.627 -2.290 1.00 0.00 H new ATOM 0 HG SER B 44 7.270 17.653 -0.987 1.00 0.00 H new ATOM 1659 N GLN B 45 4.723 18.443 -5.030 1.00 0.00 N ATOM 1660 CA GLN B 45 4.275 18.905 -6.338 1.00 0.00 C ATOM 1661 C GLN B 45 3.303 20.067 -6.183 1.00 0.00 C ATOM 1662 O GLN B 45 2.501 20.086 -5.252 1.00 0.00 O ATOM 1663 CB GLN B 45 3.604 17.760 -7.099 1.00 0.00 C ATOM 1664 CG GLN B 45 4.464 16.511 -7.219 1.00 0.00 C ATOM 1665 CD GLN B 45 5.628 16.676 -8.175 1.00 0.00 C ATOM 1666 OE1 GLN B 45 5.537 17.397 -9.164 1.00 0.00 O ATOM 1667 NE2 GLN B 45 6.732 16.009 -7.883 1.00 0.00 N ATOM 0 H GLN B 45 3.970 18.188 -4.391 1.00 0.00 H new ATOM 0 HA GLN B 45 5.142 19.246 -6.903 1.00 0.00 H new ATOM 0 HB2 GLN B 45 2.672 17.500 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN B 45 3.342 18.106 -8.099 1.00 0.00 H new ATOM 0 HG2 GLN B 45 4.847 16.245 -6.234 1.00 0.00 H new ATOM 0 HG3 GLN B 45 3.842 15.681 -7.554 1.00 0.00 H new ATOM 0 HE21 GLN B 45 6.767 15.420 -7.051 1.00 0.00 H new ATOM 0 HE22 GLN B 45 7.548 16.084 -8.490 1.00 0.00 H new ATOM 1676 N SER B 46 3.372 21.027 -7.092 1.00 0.00 N ATOM 1677 CA SER B 46 2.526 22.209 -7.016 1.00 0.00 C ATOM 1678 C SER B 46 1.295 22.079 -7.914 1.00 0.00 C ATOM 1679 O SER B 46 1.400 22.073 -9.141 1.00 0.00 O ATOM 1680 CB SER B 46 3.338 23.450 -7.392 1.00 0.00 C ATOM 1681 OG SER B 46 4.164 23.192 -8.517 1.00 0.00 O ATOM 0 H SER B 46 4.005 21.011 -7.892 1.00 0.00 H new ATOM 0 HA SER B 46 2.170 22.309 -5.990 1.00 0.00 H new ATOM 0 HB2 SER B 46 2.664 24.278 -7.613 1.00 0.00 H new ATOM 0 HB3 SER B 46 3.954 23.757 -6.546 1.00 0.00 H new ATOM 0 HG SER B 46 3.681 22.626 -9.155 1.00 0.00 H new ATOM 1687 N GLY B 47 0.131 21.974 -7.292 1.00 0.00 N ATOM 1688 CA GLY B 47 -1.107 21.877 -8.036 1.00 0.00 C ATOM 1689 C GLY B 47 -1.364 20.478 -8.554 1.00 0.00 C ATOM 1690 O GLY B 47 -0.947 19.493 -7.940 1.00 0.00 O ATOM 0 H GLY B 47 0.022 21.954 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -1.936 22.182 -7.397 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -1.078 22.572 -8.875 1.00 0.00 H new ATOM 1694 N GLY B 48 -2.030 20.391 -9.697 1.00 0.00 N ATOM 1695 CA GLY B 48 -2.384 19.106 -10.266 1.00 0.00 C ATOM 1696 C GLY B 48 -1.233 18.449 -10.999 1.00 0.00 C ATOM 1697 O GLY B 48 -1.362 18.069 -12.164 1.00 0.00 O ATOM 0 H GLY B 48 -2.334 21.196 -10.245 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.727 18.444 -9.471 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -3.219 19.237 -10.954 1.00 0.00 H new ATOM 1701 N GLN B 49 -0.100 18.321 -10.321 1.00 0.00 N ATOM 1702 CA GLN B 49 1.046 17.621 -10.876 1.00 0.00 C ATOM 1703 C GLN B 49 0.997 16.152 -10.466 1.00 0.00 C ATOM 1704 O GLN B 49 1.879 15.363 -10.796 1.00 0.00 O ATOM 1705 CB GLN B 49 2.350 18.309 -10.457 1.00 0.00 C ATOM 1706 CG GLN B 49 2.557 19.637 -11.179 1.00 0.00 C ATOM 1707 CD GLN B 49 3.726 20.456 -10.657 1.00 0.00 C ATOM 1708 OE1 GLN B 49 3.709 21.687 -10.724 1.00 0.00 O ATOM 1709 NE2 GLN B 49 4.745 19.797 -10.139 1.00 0.00 N ATOM 0 H GLN B 49 0.048 18.695 -9.384 1.00 0.00 H new ATOM 0 HA GLN B 49 1.011 17.659 -11.965 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.339 18.480 -9.381 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.191 17.648 -10.666 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.711 19.440 -12.240 1.00 0.00 H new ATOM 0 HG3 GLN B 49 1.646 20.230 -11.094 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.726 18.778 -10.099 1.00 0.00 H new ATOM 0 HE22 GLN B 49 5.552 20.307 -9.778 1.00 0.00 H new ATOM 1718 N ILE B 50 -0.049 15.817 -9.715 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.486 14.437 -9.552 1.00 0.00 C ATOM 1720 C ILE B 50 -1.870 14.330 -10.176 1.00 0.00 C ATOM 1721 O ILE B 50 -2.881 14.619 -9.530 1.00 0.00 O ATOM 1722 CB ILE B 50 -0.557 13.962 -8.073 1.00 0.00 C ATOM 1723 CG1 ILE B 50 0.819 13.987 -7.408 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -1.142 12.561 -7.985 1.00 0.00 C ATOM 1725 CD1 ILE B 50 1.230 15.352 -6.922 1.00 0.00 C ATOM 0 H ILE B 50 -0.615 16.494 -9.204 1.00 0.00 H new ATOM 0 HA ILE B 50 0.250 13.794 -10.035 1.00 0.00 H new ATOM 0 HB ILE B 50 -1.208 14.657 -7.542 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.818 13.296 -6.565 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.563 13.624 -8.118 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.182 12.248 -6.942 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.148 12.560 -8.403 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.515 11.869 -8.547 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.216 15.293 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.264 16.043 -7.764 1.00 0.00 H new ATOM 0 HD13 ILE B 50 0.508 15.709 -6.188 1.00 0.00 H new ATOM 1737 N SER B 51 -1.910 13.971 -11.446 1.00 0.00 N ATOM 1738 CA SER B 51 -3.150 14.025 -12.204 1.00 0.00 C ATOM 1739 C SER B 51 -4.110 12.919 -11.768 1.00 0.00 C ATOM 1740 O SER B 51 -5.326 13.119 -11.733 1.00 0.00 O ATOM 1741 CB SER B 51 -2.857 13.931 -13.706 1.00 0.00 C ATOM 1742 OG SER B 51 -3.890 14.535 -14.471 1.00 0.00 O ATOM 0 H SER B 51 -1.103 13.640 -11.974 1.00 0.00 H new ATOM 0 HA SER B 51 -3.633 14.981 -12.003 1.00 0.00 H new ATOM 0 HB2 SER B 51 -1.907 14.418 -13.925 1.00 0.00 H new ATOM 0 HB3 SER B 51 -2.752 12.885 -13.994 1.00 0.00 H new ATOM 0 HG SER B 51 -3.676 14.462 -15.425 1.00 0.00 H new ATOM 1748 N SER B 52 -3.562 11.769 -11.403 1.00 0.00 N ATOM 1749 CA SER B 52 -4.375 10.627 -11.007 1.00 0.00 C ATOM 1750 C SER B 52 -3.718 9.911 -9.828 1.00 0.00 C ATOM 1751 O SER B 52 -2.540 10.133 -9.557 1.00 0.00 O ATOM 1752 CB SER B 52 -4.518 9.661 -12.189 1.00 0.00 C ATOM 1753 OG SER B 52 -4.798 10.356 -13.394 1.00 0.00 O ATOM 0 H SER B 52 -2.556 11.601 -11.373 1.00 0.00 H new ATOM 0 HA SER B 52 -5.364 10.975 -10.707 1.00 0.00 H new ATOM 0 HB2 SER B 52 -3.599 9.086 -12.304 1.00 0.00 H new ATOM 0 HB3 SER B 52 -5.317 8.948 -11.984 1.00 0.00 H new ATOM 0 HG SER B 52 -4.882 9.714 -14.130 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.460 9.052 -9.104 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.872 8.206 -8.058 1.00 0.00 C ATOM 1761 C PRO B 53 -2.745 7.346 -8.622 1.00 0.00 C ATOM 1762 O PRO B 53 -1.755 7.062 -7.948 1.00 0.00 O ATOM 1763 CB PRO B 53 -5.043 7.331 -7.598 1.00 0.00 C ATOM 1764 CG PRO B 53 -6.265 8.098 -7.972 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.916 8.854 -9.223 1.00 0.00 C ATOM 0 HA PRO B 53 -3.430 8.785 -7.247 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -5.023 6.356 -8.086 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -5.003 7.151 -6.524 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -7.108 7.429 -8.144 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -6.557 8.780 -7.173 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -6.173 8.290 -10.119 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.448 9.804 -9.281 1.00 0.00 H new ATOM 1773 N SER B 54 -2.904 6.953 -9.880 1.00 0.00 N ATOM 1774 CA SER B 54 -1.884 6.213 -10.604 1.00 0.00 C ATOM 1775 C SER B 54 -0.598 7.035 -10.705 1.00 0.00 C ATOM 1776 O SER B 54 0.501 6.503 -10.570 1.00 0.00 O ATOM 1777 CB SER B 54 -2.407 5.881 -11.998 1.00 0.00 C ATOM 1778 OG SER B 54 -3.802 5.627 -11.956 1.00 0.00 O ATOM 0 H SER B 54 -3.746 7.140 -10.425 1.00 0.00 H new ATOM 0 HA SER B 54 -1.657 5.291 -10.068 1.00 0.00 H new ATOM 0 HB2 SER B 54 -2.202 6.709 -12.677 1.00 0.00 H new ATOM 0 HB3 SER B 54 -1.884 5.009 -12.391 1.00 0.00 H new ATOM 0 HG SER B 54 -4.124 5.417 -12.858 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.758 8.343 -10.912 1.00 0.00 N ATOM 1785 CA ASP B 55 0.376 9.263 -11.036 1.00 0.00 C ATOM 1786 C ASP B 55 1.132 9.327 -9.714 1.00 0.00 C ATOM 1787 O ASP B 55 2.360 9.403 -9.682 1.00 0.00 O ATOM 1788 CB ASP B 55 -0.124 10.661 -11.431 1.00 0.00 C ATOM 1789 CG ASP B 55 0.983 11.615 -11.849 1.00 0.00 C ATOM 1790 OD1 ASP B 55 2.161 11.203 -11.903 1.00 0.00 O ATOM 1791 OD2 ASP B 55 0.667 12.787 -12.142 1.00 0.00 O ATOM 0 H ASP B 55 -1.669 8.793 -10.998 1.00 0.00 H new ATOM 0 HA ASP B 55 1.050 8.901 -11.812 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.835 10.564 -12.251 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -0.665 11.094 -10.590 1.00 0.00 H new ATOM 1796 N LEU B 56 0.385 9.275 -8.618 1.00 0.00 N ATOM 1797 CA LEU B 56 0.981 9.247 -7.292 1.00 0.00 C ATOM 1798 C LEU B 56 1.810 7.977 -7.119 1.00 0.00 C ATOM 1799 O LEU B 56 2.938 8.024 -6.625 1.00 0.00 O ATOM 1800 CB LEU B 56 -0.103 9.332 -6.214 1.00 0.00 C ATOM 1801 CG LEU B 56 0.414 9.442 -4.778 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.261 10.693 -4.606 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.747 9.447 -3.795 1.00 0.00 C ATOM 0 H LEU B 56 -0.635 9.251 -8.623 1.00 0.00 H new ATOM 0 HA LEU B 56 1.637 10.111 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.734 10.196 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.737 8.448 -6.288 1.00 0.00 H new ATOM 0 HG LEU B 56 1.040 8.574 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.618 10.752 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.113 10.652 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.660 11.574 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.362 9.526 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.397 10.297 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.315 8.522 -3.898 1.00 0.00 H new ATOM 1815 N ARG B 57 1.253 6.846 -7.552 1.00 0.00 N ATOM 1816 CA ARG B 57 1.974 5.581 -7.515 1.00 0.00 C ATOM 1817 C ARG B 57 3.228 5.667 -8.382 1.00 0.00 C ATOM 1818 O ARG B 57 4.296 5.195 -7.987 1.00 0.00 O ATOM 1819 CB ARG B 57 1.092 4.418 -7.987 1.00 0.00 C ATOM 1820 CG ARG B 57 1.775 3.062 -7.850 1.00 0.00 C ATOM 1821 CD ARG B 57 0.926 1.915 -8.383 1.00 0.00 C ATOM 1822 NE ARG B 57 -0.381 1.820 -7.729 1.00 0.00 N ATOM 1823 CZ ARG B 57 -0.578 1.363 -6.485 1.00 0.00 C ATOM 1824 NH1 ARG B 57 0.449 0.996 -5.727 1.00 0.00 N ATOM 1825 NH2 ARG B 57 -1.813 1.256 -6.011 1.00 0.00 N ATOM 0 H ARG B 57 0.308 6.783 -7.931 1.00 0.00 H new ATOM 0 HA ARG B 57 2.260 5.390 -6.481 1.00 0.00 H new ATOM 0 HB2 ARG B 57 0.167 4.413 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG B 57 0.817 4.577 -9.030 1.00 0.00 H new ATOM 0 HG2 ARG B 57 2.725 3.083 -8.384 1.00 0.00 H new ATOM 0 HG3 ARG B 57 2.004 2.881 -6.800 1.00 0.00 H new ATOM 0 HD2 ARG B 57 0.781 2.045 -9.455 1.00 0.00 H new ATOM 0 HD3 ARG B 57 1.464 0.977 -8.245 1.00 0.00 H new ATOM 0 HE ARG B 57 -1.199 2.123 -8.258 1.00 0.00 H new ATOM 0 HH11 ARG B 57 1.400 1.061 -6.090 1.00 0.00 H new ATOM 0 HH12 ARG B 57 0.287 0.650 -4.781 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -2.607 1.521 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -1.968 0.909 -5.065 1.00 0.00 H new ATOM 1839 N GLU B 58 3.086 6.280 -9.558 1.00 0.00 N ATOM 1840 CA GLU B 58 4.210 6.498 -10.464 1.00 0.00 C ATOM 1841 C GLU B 58 5.341 7.227 -9.753 1.00 0.00 C ATOM 1842 O GLU B 58 6.471 6.746 -9.708 1.00 0.00 O ATOM 1843 CB GLU B 58 3.774 7.319 -11.682 1.00 0.00 C ATOM 1844 CG GLU B 58 2.828 6.595 -12.625 1.00 0.00 C ATOM 1845 CD GLU B 58 2.398 7.467 -13.790 1.00 0.00 C ATOM 1846 OE1 GLU B 58 3.280 7.912 -14.562 1.00 0.00 O ATOM 1847 OE2 GLU B 58 1.185 7.720 -13.938 1.00 0.00 O ATOM 0 H GLU B 58 2.196 6.636 -9.905 1.00 0.00 H new ATOM 0 HA GLU B 58 4.561 5.521 -10.795 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.291 8.233 -11.334 1.00 0.00 H new ATOM 0 HB3 GLU B 58 4.662 7.619 -12.238 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.315 5.697 -13.006 1.00 0.00 H new ATOM 0 HG3 GLU B 58 1.946 6.270 -12.073 1.00 0.00 H new ATOM 1854 N LYS B 59 5.017 8.386 -9.187 1.00 0.00 N ATOM 1855 CA LYS B 59 5.997 9.216 -8.494 1.00 0.00 C ATOM 1856 C LYS B 59 6.735 8.434 -7.415 1.00 0.00 C ATOM 1857 O LYS B 59 7.965 8.407 -7.388 1.00 0.00 O ATOM 1858 CB LYS B 59 5.309 10.431 -7.869 1.00 0.00 C ATOM 1859 CG LYS B 59 4.793 11.426 -8.892 1.00 0.00 C ATOM 1860 CD LYS B 59 5.935 12.021 -9.694 1.00 0.00 C ATOM 1861 CE LYS B 59 5.436 13.013 -10.727 1.00 0.00 C ATOM 1862 NZ LYS B 59 4.565 12.371 -11.751 1.00 0.00 N ATOM 0 H LYS B 59 4.074 8.774 -9.195 1.00 0.00 H new ATOM 0 HA LYS B 59 6.728 9.547 -9.231 1.00 0.00 H new ATOM 0 HB2 LYS B 59 4.477 10.091 -7.253 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.012 10.935 -7.205 1.00 0.00 H new ATOM 0 HG2 LYS B 59 4.091 10.932 -9.563 1.00 0.00 H new ATOM 0 HG3 LYS B 59 4.245 12.222 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS B 59 6.633 12.517 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS B 59 6.485 11.223 -10.192 1.00 0.00 H new ATOM 0 HE2 LYS B 59 4.881 13.807 -10.227 1.00 0.00 H new ATOM 0 HE3 LYS B 59 6.288 13.481 -11.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 4.414 13.030 -12.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 5.023 11.507 -12.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 3.649 12.127 -11.324 1.00 0.00 H new ATOM 1876 N LEU B 60 5.978 7.791 -6.541 1.00 0.00 N ATOM 1877 CA LEU B 60 6.550 7.066 -5.417 1.00 0.00 C ATOM 1878 C LEU B 60 7.423 5.905 -5.888 1.00 0.00 C ATOM 1879 O LEU B 60 8.523 5.700 -5.376 1.00 0.00 O ATOM 1880 CB LEU B 60 5.428 6.562 -4.516 1.00 0.00 C ATOM 1881 CG LEU B 60 4.544 7.661 -3.926 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.287 7.066 -3.320 1.00 0.00 C ATOM 1883 CD2 LEU B 60 5.310 8.459 -2.882 1.00 0.00 C ATOM 0 H LEU B 60 4.960 7.756 -6.589 1.00 0.00 H new ATOM 0 HA LEU B 60 7.190 7.746 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU B 60 4.801 5.877 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.866 5.988 -3.699 1.00 0.00 H new ATOM 0 HG LEU B 60 4.253 8.336 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU B 60 2.670 7.863 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU B 60 2.726 6.538 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU B 60 3.560 6.369 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.665 9.237 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.631 7.795 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.184 8.918 -3.344 1.00 0.00 H new ATOM 1895 N SER B 61 6.940 5.162 -6.876 1.00 0.00 N ATOM 1896 CA SER B 61 7.682 4.028 -7.408 1.00 0.00 C ATOM 1897 C SER B 61 8.955 4.495 -8.108 1.00 0.00 C ATOM 1898 O SER B 61 10.013 3.877 -7.973 1.00 0.00 O ATOM 1899 CB SER B 61 6.809 3.239 -8.384 1.00 0.00 C ATOM 1900 OG SER B 61 5.594 2.844 -7.773 1.00 0.00 O ATOM 0 H SER B 61 6.038 5.325 -7.324 1.00 0.00 H new ATOM 0 HA SER B 61 7.962 3.381 -6.576 1.00 0.00 H new ATOM 0 HB2 SER B 61 6.597 3.849 -9.262 1.00 0.00 H new ATOM 0 HB3 SER B 61 7.349 2.358 -8.730 1.00 0.00 H new ATOM 0 HG SER B 61 4.926 3.552 -7.886 1.00 0.00 H new ATOM 1906 N GLU B 62 8.848 5.602 -8.834 1.00 0.00 N ATOM 1907 CA GLU B 62 9.970 6.143 -9.585 1.00 0.00 C ATOM 1908 C GLU B 62 11.101 6.550 -8.645 1.00 0.00 C ATOM 1909 O GLU B 62 12.272 6.251 -8.893 1.00 0.00 O ATOM 1910 CB GLU B 62 9.514 7.352 -10.407 1.00 0.00 C ATOM 1911 CG GLU B 62 10.493 7.760 -11.494 1.00 0.00 C ATOM 1912 CD GLU B 62 10.629 6.703 -12.572 1.00 0.00 C ATOM 1913 OE1 GLU B 62 11.348 5.709 -12.350 1.00 0.00 O ATOM 1914 OE2 GLU B 62 10.011 6.859 -13.646 1.00 0.00 O ATOM 0 H GLU B 62 7.988 6.144 -8.917 1.00 0.00 H new ATOM 0 HA GLU B 62 10.341 5.370 -10.258 1.00 0.00 H new ATOM 0 HB2 GLU B 62 8.551 7.126 -10.865 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.357 8.197 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU B 62 10.162 8.695 -11.945 1.00 0.00 H new ATOM 0 HG3 GLU B 62 11.470 7.949 -11.048 1.00 0.00 H new ATOM 1921 N LEU B 63 10.743 7.220 -7.556 1.00 0.00 N ATOM 1922 CA LEU B 63 11.731 7.688 -6.595 1.00 0.00 C ATOM 1923 C LEU B 63 12.296 6.515 -5.796 1.00 0.00 C ATOM 1924 O LEU B 63 13.466 6.521 -5.411 1.00 0.00 O ATOM 1925 CB LEU B 63 11.126 8.728 -5.645 1.00 0.00 C ATOM 1926 CG LEU B 63 10.345 9.869 -6.309 1.00 0.00 C ATOM 1927 CD1 LEU B 63 9.944 10.904 -5.272 1.00 0.00 C ATOM 1928 CD2 LEU B 63 11.148 10.519 -7.427 1.00 0.00 C ATOM 0 H LEU B 63 9.778 7.450 -7.318 1.00 0.00 H new ATOM 0 HA LEU B 63 12.541 8.161 -7.150 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.461 8.214 -4.951 1.00 0.00 H new ATOM 0 HB3 LEU B 63 11.931 9.162 -5.052 1.00 0.00 H new ATOM 0 HG LEU B 63 9.445 9.444 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU B 63 9.390 11.709 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.316 10.436 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU B 63 10.838 11.312 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU B 63 10.564 11.323 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.074 10.926 -7.021 1.00 0.00 H new ATOM 0 HD23 LEU B 63 11.382 9.774 -8.187 1.00 0.00 H new ATOM 1940 N ALA B 64 11.462 5.507 -5.556 1.00 0.00 N ATOM 1941 CA ALA B 64 11.891 4.311 -4.839 1.00 0.00 C ATOM 1942 C ALA B 64 12.924 3.538 -5.651 1.00 0.00 C ATOM 1943 O ALA B 64 13.953 3.108 -5.120 1.00 0.00 O ATOM 1944 CB ALA B 64 10.696 3.424 -4.514 1.00 0.00 C ATOM 0 H ALA B 64 10.485 5.495 -5.848 1.00 0.00 H new ATOM 0 HA ALA B 64 12.354 4.622 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.036 2.537 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA B 64 9.992 3.976 -3.891 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.204 3.124 -5.439 1.00 0.00 H new ATOM 1950 N ASP B 65 12.656 3.381 -6.943 1.00 0.00 N ATOM 1951 CA ASP B 65 13.584 2.706 -7.847 1.00 0.00 C ATOM 1952 C ASP B 65 14.874 3.503 -8.001 1.00 0.00 C ATOM 1953 O ASP B 65 15.934 2.938 -8.276 1.00 0.00 O ATOM 1954 CB ASP B 65 12.944 2.478 -9.221 1.00 0.00 C ATOM 1955 CG ASP B 65 12.348 1.089 -9.369 1.00 0.00 C ATOM 1956 OD1 ASP B 65 11.171 0.890 -9.005 1.00 0.00 O ATOM 1957 OD2 ASP B 65 13.058 0.183 -9.856 1.00 0.00 O ATOM 0 H ASP B 65 11.801 3.713 -7.390 1.00 0.00 H new ATOM 0 HA ASP B 65 13.823 1.737 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.164 3.222 -9.381 1.00 0.00 H new ATOM 0 HB3 ASP B 65 13.695 2.631 -9.996 1.00 0.00 H new ATOM 1962 N ALA B 66 14.781 4.815 -7.817 1.00 0.00 N ATOM 1963 CA ALA B 66 15.947 5.688 -7.895 1.00 0.00 C ATOM 1964 C ALA B 66 16.819 5.549 -6.647 1.00 0.00 C ATOM 1965 O ALA B 66 18.025 5.795 -6.687 1.00 0.00 O ATOM 1966 CB ALA B 66 15.516 7.134 -8.086 1.00 0.00 C ATOM 0 H ALA B 66 13.907 5.299 -7.612 1.00 0.00 H new ATOM 0 HA ALA B 66 16.541 5.385 -8.757 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.398 7.772 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA B 66 14.943 7.224 -9.009 1.00 0.00 H new ATOM 0 HB3 ALA B 66 14.897 7.444 -7.244 1.00 0.00 H new ATOM 1972 N LYS B 67 16.200 5.165 -5.537 1.00 0.00 N ATOM 1973 CA LYS B 67 16.929 4.929 -4.295 1.00 0.00 C ATOM 1974 C LYS B 67 17.482 3.511 -4.251 1.00 0.00 C ATOM 1975 O LYS B 67 18.582 3.275 -3.746 1.00 0.00 O ATOM 1976 CB LYS B 67 16.022 5.167 -3.085 1.00 0.00 C ATOM 1977 CG LYS B 67 15.773 6.635 -2.784 1.00 0.00 C ATOM 1978 CD LYS B 67 17.057 7.332 -2.356 1.00 0.00 C ATOM 1979 CE LYS B 67 16.817 8.794 -2.014 1.00 0.00 C ATOM 1980 NZ LYS B 67 18.068 9.471 -1.580 1.00 0.00 N ATOM 0 H LYS B 67 15.194 5.010 -5.471 1.00 0.00 H new ATOM 0 HA LYS B 67 17.762 5.631 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.065 4.674 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.470 4.697 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.366 7.127 -3.668 1.00 0.00 H new ATOM 0 HG3 LYS B 67 15.026 6.726 -1.996 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.478 6.820 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.793 7.262 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS B 67 16.408 9.308 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS B 67 16.072 8.865 -1.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 17.864 10.466 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 18.445 8.996 -0.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 18.771 9.426 -2.345 1.00 0.00 H new ATOM 1994 N GLY B 68 16.715 2.576 -4.785 1.00 0.00 N ATOM 1995 CA GLY B 68 17.118 1.186 -4.767 1.00 0.00 C ATOM 1996 C GLY B 68 16.244 0.357 -3.848 1.00 0.00 C ATOM 1997 O GLY B 68 16.704 -0.611 -3.246 1.00 0.00 O ATOM 0 H GLY B 68 15.816 2.755 -5.233 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.069 0.781 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.156 1.113 -4.444 1.00 0.00 H new ATOM 2001 N GLY B 69 14.985 0.753 -3.728 1.00 0.00 N ATOM 2002 CA GLY B 69 14.048 0.013 -2.912 1.00 0.00 C ATOM 2003 C GLY B 69 12.948 -0.601 -3.745 1.00 0.00 C ATOM 2004 O GLY B 69 12.366 0.067 -4.597 1.00 0.00 O ATOM 0 H GLY B 69 14.596 1.578 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.577 -0.772 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.612 0.677 -2.165 1.00 0.00 H new ATOM 2008 N LYS B 70 12.659 -1.872 -3.505 1.00 0.00 N ATOM 2009 CA LYS B 70 11.650 -2.579 -4.282 1.00 0.00 C ATOM 2010 C LYS B 70 10.250 -2.237 -3.780 1.00 0.00 C ATOM 2011 O LYS B 70 9.261 -2.414 -4.493 1.00 0.00 O ATOM 2012 CB LYS B 70 11.860 -4.095 -4.199 1.00 0.00 C ATOM 2013 CG LYS B 70 13.271 -4.559 -4.535 1.00 0.00 C ATOM 2014 CD LYS B 70 13.337 -6.076 -4.636 1.00 0.00 C ATOM 2015 CE LYS B 70 14.767 -6.581 -4.782 1.00 0.00 C ATOM 2016 NZ LYS B 70 15.484 -6.623 -3.481 1.00 0.00 N ATOM 0 H LYS B 70 13.107 -2.434 -2.781 1.00 0.00 H new ATOM 0 HA LYS B 70 11.749 -2.262 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS B 70 11.612 -4.428 -3.191 1.00 0.00 H new ATOM 0 HB3 LYS B 70 11.160 -4.583 -4.877 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.589 -4.114 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.964 -4.212 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS B 70 12.886 -6.518 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.747 -6.408 -5.491 1.00 0.00 H new ATOM 0 HE2 LYS B 70 14.755 -7.579 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS B 70 15.309 -5.936 -5.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 16.484 -6.858 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 15.417 -5.694 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 15.053 -7.346 -2.870 1.00 0.00 H new ATOM 2030 N TYR B 71 10.171 -1.747 -2.551 1.00 0.00 N ATOM 2031 CA TYR B 71 8.888 -1.495 -1.914 1.00 0.00 C ATOM 2032 C TYR B 71 8.874 -0.104 -1.288 1.00 0.00 C ATOM 2033 O TYR B 71 9.908 0.391 -0.844 1.00 0.00 O ATOM 2034 CB TYR B 71 8.628 -2.548 -0.828 1.00 0.00 C ATOM 2035 CG TYR B 71 9.002 -3.960 -1.235 1.00 0.00 C ATOM 2036 CD1 TYR B 71 8.136 -4.748 -1.985 1.00 0.00 C ATOM 2037 CD2 TYR B 71 10.228 -4.503 -0.868 1.00 0.00 C ATOM 2038 CE1 TYR B 71 8.485 -6.033 -2.359 1.00 0.00 C ATOM 2039 CE2 TYR B 71 10.583 -5.786 -1.237 1.00 0.00 C ATOM 2040 CZ TYR B 71 9.708 -6.548 -1.981 1.00 0.00 C ATOM 2041 OH TYR B 71 10.063 -7.826 -2.353 1.00 0.00 O ATOM 0 H TYR B 71 10.981 -1.516 -1.976 1.00 0.00 H new ATOM 0 HA TYR B 71 8.105 -1.553 -2.670 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.189 -2.278 0.067 1.00 0.00 H new ATOM 0 HB3 TYR B 71 7.572 -2.526 -0.561 1.00 0.00 H new ATOM 0 HD1 TYR B 71 7.176 -4.351 -2.280 1.00 0.00 H new ATOM 0 HD2 TYR B 71 10.916 -3.910 -0.283 1.00 0.00 H new ATOM 0 HE1 TYR B 71 7.803 -6.631 -2.945 1.00 0.00 H new ATOM 0 HE2 TYR B 71 11.541 -6.190 -0.944 1.00 0.00 H new ATOM 0 HH TYR B 71 10.956 -8.032 -2.006 1.00 0.00 H new ATOM 2051 N TYR B 72 7.712 0.526 -1.254 1.00 0.00 N ATOM 2052 CA TYR B 72 7.580 1.819 -0.597 1.00 0.00 C ATOM 2053 C TYR B 72 6.300 1.863 0.230 1.00 0.00 C ATOM 2054 O TYR B 72 5.356 1.119 -0.034 1.00 0.00 O ATOM 2055 CB TYR B 72 7.605 2.968 -1.618 1.00 0.00 C ATOM 2056 CG TYR B 72 6.404 3.022 -2.535 1.00 0.00 C ATOM 2057 CD1 TYR B 72 5.236 3.665 -2.142 1.00 0.00 C ATOM 2058 CD2 TYR B 72 6.437 2.435 -3.793 1.00 0.00 C ATOM 2059 CE1 TYR B 72 4.139 3.720 -2.973 1.00 0.00 C ATOM 2060 CE2 TYR B 72 5.340 2.488 -4.632 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.194 3.131 -4.215 1.00 0.00 C ATOM 2062 OH TYR B 72 3.097 3.184 -5.041 1.00 0.00 O ATOM 0 H TYR B 72 6.852 0.168 -1.669 1.00 0.00 H new ATOM 0 HA TYR B 72 8.433 1.949 0.070 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.677 3.913 -1.080 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.506 2.877 -2.225 1.00 0.00 H new ATOM 0 HD1 TYR B 72 5.188 4.130 -1.168 1.00 0.00 H new ATOM 0 HD2 TYR B 72 7.333 1.929 -4.121 1.00 0.00 H new ATOM 0 HE1 TYR B 72 3.239 4.223 -2.651 1.00 0.00 H new ATOM 0 HE2 TYR B 72 5.380 2.028 -5.609 1.00 0.00 H new ATOM 0 HH TYR B 72 2.470 3.860 -4.709 1.00 0.00 H new ATOM 2072 N HIS B 73 6.275 2.730 1.229 1.00 0.00 N ATOM 2073 CA HIS B 73 5.108 2.869 2.093 1.00 0.00 C ATOM 2074 C HIS B 73 4.866 4.333 2.439 1.00 0.00 C ATOM 2075 O HIS B 73 5.719 4.978 3.036 1.00 0.00 O ATOM 2076 CB HIS B 73 5.299 2.050 3.377 1.00 0.00 C ATOM 2077 CG HIS B 73 4.266 2.325 4.431 1.00 0.00 C ATOM 2078 ND1 HIS B 73 4.573 2.893 5.645 1.00 0.00 N ATOM 2079 CD2 HIS B 73 2.926 2.126 4.440 1.00 0.00 C ATOM 2080 CE1 HIS B 73 3.471 3.034 6.355 1.00 0.00 C ATOM 2081 NE2 HIS B 73 2.452 2.579 5.648 1.00 0.00 N ATOM 0 H HIS B 73 7.050 3.350 1.464 1.00 0.00 H new ATOM 0 HA HIS B 73 4.237 2.491 1.557 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.276 0.989 3.127 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.287 2.259 3.787 1.00 0.00 H new ATOM 0 HD1 HIS B 73 5.508 3.163 5.949 1.00 0.00 H new ATOM 0 HD2 HIS B 73 2.339 1.692 3.645 1.00 0.00 H new ATOM 0 HE1 HIS B 73 3.411 3.452 7.349 1.00 0.00 H new ATOM 2090 N ILE B 74 3.701 4.850 2.069 1.00 0.00 N ATOM 2091 CA ILE B 74 3.346 6.227 2.393 1.00 0.00 C ATOM 2092 C ILE B 74 3.046 6.363 3.883 1.00 0.00 C ATOM 2093 O ILE B 74 2.214 5.631 4.424 1.00 0.00 O ATOM 2094 CB ILE B 74 2.112 6.703 1.601 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.290 6.433 0.107 1.00 0.00 C ATOM 2096 CG2 ILE B 74 1.870 8.189 1.845 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.081 6.820 -0.718 1.00 0.00 C ATOM 0 H ILE B 74 2.989 4.340 1.547 1.00 0.00 H new ATOM 0 HA ILE B 74 4.200 6.846 2.120 1.00 0.00 H new ATOM 0 HB ILE B 74 1.244 6.143 1.949 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.159 6.983 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.499 5.374 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.996 8.513 1.280 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.699 8.360 2.908 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.742 8.758 1.522 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.273 6.603 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.214 6.251 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE B 74 0.884 7.885 -0.598 1.00 0.00 H new ATOM 2109 N ILE B 75 3.726 7.292 4.539 1.00 0.00 N ATOM 2110 CA ILE B 75 3.498 7.541 5.956 1.00 0.00 C ATOM 2111 C ILE B 75 2.725 8.835 6.166 1.00 0.00 C ATOM 2112 O ILE B 75 1.889 8.931 7.064 1.00 0.00 O ATOM 2113 CB ILE B 75 4.817 7.595 6.759 1.00 0.00 C ATOM 2114 CG1 ILE B 75 5.823 8.542 6.094 1.00 0.00 C ATOM 2115 CG2 ILE B 75 5.400 6.200 6.904 1.00 0.00 C ATOM 2116 CD1 ILE B 75 7.121 8.693 6.862 1.00 0.00 C ATOM 0 H ILE B 75 4.439 7.885 4.114 1.00 0.00 H new ATOM 0 HA ILE B 75 2.908 6.702 6.326 1.00 0.00 H new ATOM 0 HB ILE B 75 4.601 7.984 7.754 1.00 0.00 H new ATOM 0 HG12 ILE B 75 6.045 8.175 5.092 1.00 0.00 H new ATOM 0 HG13 ILE B 75 5.363 9.524 5.980 1.00 0.00 H new ATOM 0 HG21 ILE B 75 6.329 6.251 7.472 1.00 0.00 H new ATOM 0 HG22 ILE B 75 4.689 5.561 7.428 1.00 0.00 H new ATOM 0 HG23 ILE B 75 5.601 5.785 5.916 1.00 0.00 H new ATOM 0 HD11 ILE B 75 7.781 9.378 6.330 1.00 0.00 H new ATOM 0 HD12 ILE B 75 6.912 9.090 7.856 1.00 0.00 H new ATOM 0 HD13 ILE B 75 7.605 7.721 6.954 1.00 0.00 H new ATOM 2128 N ALA B 76 2.990 9.822 5.319 1.00 0.00 N ATOM 2129 CA ALA B 76 2.342 11.115 5.443 1.00 0.00 C ATOM 2130 C ALA B 76 2.016 11.696 4.075 1.00 0.00 C ATOM 2131 O ALA B 76 2.888 12.221 3.387 1.00 0.00 O ATOM 2132 CB ALA B 76 3.222 12.074 6.231 1.00 0.00 C ATOM 0 H ALA B 76 3.647 9.749 4.542 1.00 0.00 H new ATOM 0 HA ALA B 76 1.405 10.975 5.982 1.00 0.00 H new ATOM 0 HB1 ALA B 76 2.723 13.039 6.316 1.00 0.00 H new ATOM 0 HB2 ALA B 76 3.400 11.669 7.227 1.00 0.00 H new ATOM 0 HB3 ALA B 76 4.174 12.202 5.715 1.00 0.00 H new ATOM 2138 N ALA B 77 0.763 11.573 3.678 1.00 0.00 N ATOM 2139 CA ALA B 77 0.292 12.176 2.442 1.00 0.00 C ATOM 2140 C ALA B 77 -0.614 13.347 2.775 1.00 0.00 C ATOM 2141 O ALA B 77 -1.739 13.160 3.238 1.00 0.00 O ATOM 2142 CB ALA B 77 -0.437 11.154 1.582 1.00 0.00 C ATOM 0 H ALA B 77 0.050 11.059 4.195 1.00 0.00 H new ATOM 0 HA ALA B 77 1.147 12.534 1.868 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.780 11.630 0.663 1.00 0.00 H new ATOM 0 HB2 ALA B 77 0.240 10.336 1.336 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -1.295 10.763 2.130 1.00 0.00 H new ATOM 2148 N ARG B 78 -0.113 14.552 2.571 1.00 0.00 N ATOM 2149 CA ARG B 78 -0.832 15.744 2.981 1.00 0.00 C ATOM 2150 C ARG B 78 -0.889 16.777 1.868 1.00 0.00 C ATOM 2151 O ARG B 78 -0.009 16.846 1.012 1.00 0.00 O ATOM 2152 CB ARG B 78 -0.193 16.339 4.235 1.00 0.00 C ATOM 2153 CG ARG B 78 1.319 16.474 4.153 1.00 0.00 C ATOM 2154 CD ARG B 78 1.921 16.743 5.520 1.00 0.00 C ATOM 2155 NE ARG B 78 1.542 15.714 6.489 1.00 0.00 N ATOM 2156 CZ ARG B 78 2.200 15.470 7.624 1.00 0.00 C ATOM 2157 NH1 ARG B 78 3.323 16.122 7.908 1.00 0.00 N ATOM 2158 NH2 ARG B 78 1.742 14.559 8.472 1.00 0.00 N ATOM 0 H ARG B 78 0.787 14.731 2.125 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.858 15.454 3.208 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -0.626 17.322 4.420 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -0.446 15.714 5.091 1.00 0.00 H new ATOM 0 HG2 ARG B 78 1.746 15.561 3.738 1.00 0.00 H new ATOM 0 HG3 ARG B 78 1.578 17.285 3.473 1.00 0.00 H new ATOM 0 HD2 ARG B 78 3.007 16.784 5.438 1.00 0.00 H new ATOM 0 HD3 ARG B 78 1.592 17.719 5.877 1.00 0.00 H new ATOM 0 HE ARG B 78 0.720 15.146 6.283 1.00 0.00 H new ATOM 0 HH11 ARG B 78 3.689 16.816 7.256 1.00 0.00 H new ATOM 0 HH12 ARG B 78 3.819 15.929 8.778 1.00 0.00 H new ATOM 0 HH21 ARG B 78 0.887 14.045 8.256 1.00 0.00 H new ATOM 0 HH22 ARG B 78 2.244 14.372 9.340 1.00 0.00 H new ATOM 2172 N GLU B 79 -1.937 17.573 1.899 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.188 18.577 0.885 1.00 0.00 C ATOM 2174 C GLU B 79 -2.087 19.966 1.508 1.00 0.00 C ATOM 2175 O GLU B 79 -3.005 20.419 2.192 1.00 0.00 O ATOM 2176 CB GLU B 79 -3.578 18.343 0.295 1.00 0.00 C ATOM 2177 CG GLU B 79 -3.942 19.249 -0.864 1.00 0.00 C ATOM 2178 CD GLU B 79 -5.355 18.995 -1.338 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -5.546 18.127 -2.212 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -6.286 19.636 -0.809 1.00 0.00 O ATOM 0 H GLU B 79 -2.644 17.542 2.634 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.448 18.506 0.088 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -3.645 17.307 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.318 18.473 1.085 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -3.840 20.291 -0.560 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -3.246 19.088 -1.687 1.00 0.00 H new ATOM 2187 N HIS B 80 -0.962 20.629 1.294 1.00 0.00 N ATOM 2188 CA HIS B 80 -0.707 21.909 1.935 1.00 0.00 C ATOM 2189 C HIS B 80 -0.844 23.049 0.934 1.00 0.00 C ATOM 2190 O HIS B 80 0.153 23.568 0.430 1.00 0.00 O ATOM 2191 CB HIS B 80 0.691 21.913 2.572 1.00 0.00 C ATOM 2192 CG HIS B 80 0.993 23.116 3.425 1.00 0.00 C ATOM 2193 ND1 HIS B 80 2.080 23.180 4.265 1.00 0.00 N ATOM 2194 CD2 HIS B 80 0.357 24.308 3.555 1.00 0.00 C ATOM 2195 CE1 HIS B 80 2.102 24.350 4.871 1.00 0.00 C ATOM 2196 NE2 HIS B 80 1.069 25.056 4.458 1.00 0.00 N ATOM 0 H HIS B 80 -0.213 20.303 0.683 1.00 0.00 H new ATOM 0 HA HIS B 80 -1.448 22.058 2.720 1.00 0.00 H new ATOM 0 HB2 HIS B 80 0.799 21.016 3.182 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.436 21.851 1.779 1.00 0.00 H new ATOM 0 HD2 HIS B 80 -0.544 24.612 3.042 1.00 0.00 H new ATOM 0 HE1 HIS B 80 2.843 24.676 5.586 1.00 0.00 H new ATOM 0 HE2 HIS B 80 0.837 26.002 4.760 1.00 0.00 H new ATOM 2205 N GLY B 81 -2.081 23.404 0.617 1.00 0.00 N ATOM 2206 CA GLY B 81 -2.327 24.549 -0.233 1.00 0.00 C ATOM 2207 C GLY B 81 -1.991 24.271 -1.682 1.00 0.00 C ATOM 2208 O GLY B 81 -2.633 23.441 -2.324 1.00 0.00 O ATOM 0 H GLY B 81 -2.920 22.918 0.934 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -3.375 24.839 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -1.735 25.394 0.119 1.00 0.00 H new ATOM 2212 N PRO B 82 -0.980 24.963 -2.227 1.00 0.00 N ATOM 2213 CA PRO B 82 -0.525 24.744 -3.596 1.00 0.00 C ATOM 2214 C PRO B 82 0.386 23.527 -3.723 1.00 0.00 C ATOM 2215 O PRO B 82 0.503 22.940 -4.793 1.00 0.00 O ATOM 2216 CB PRO B 82 0.243 26.025 -3.914 1.00 0.00 C ATOM 2217 CG PRO B 82 0.775 26.486 -2.599 1.00 0.00 C ATOM 2218 CD PRO B 82 -0.218 26.038 -1.556 1.00 0.00 C ATOM 0 HA PRO B 82 -1.353 24.543 -4.276 1.00 0.00 H new ATOM 0 HB2 PRO B 82 1.049 25.837 -4.623 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -0.408 26.776 -4.363 1.00 0.00 H new ATOM 0 HG2 PRO B 82 1.759 26.058 -2.407 1.00 0.00 H new ATOM 0 HG3 PRO B 82 0.890 27.570 -2.585 1.00 0.00 H new ATOM 0 HD2 PRO B 82 0.282 25.673 -0.659 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -0.869 26.856 -1.247 1.00 0.00 H new ATOM 2226 N ASN B 83 1.016 23.140 -2.623 1.00 0.00 N ATOM 2227 CA ASN B 83 1.987 22.053 -2.654 1.00 0.00 C ATOM 2228 C ASN B 83 1.429 20.797 -2.006 1.00 0.00 C ATOM 2229 O ASN B 83 1.023 20.804 -0.842 1.00 0.00 O ATOM 2230 CB ASN B 83 3.287 22.458 -1.955 1.00 0.00 C ATOM 2231 CG ASN B 83 4.119 23.429 -2.772 1.00 0.00 C ATOM 2232 OD1 ASN B 83 4.099 23.409 -4.004 1.00 0.00 O ATOM 2233 ND2 ASN B 83 4.869 24.280 -2.087 1.00 0.00 N ATOM 0 H ASN B 83 0.875 23.558 -1.704 1.00 0.00 H new ATOM 0 HA ASN B 83 2.200 21.840 -3.702 1.00 0.00 H new ATOM 0 HB2 ASN B 83 3.050 22.911 -0.992 1.00 0.00 H new ATOM 0 HB3 ASN B 83 3.877 21.565 -1.750 1.00 0.00 H new ATOM 0 HD21 ASN B 83 5.458 24.951 -2.580 1.00 0.00 H new ATOM 0 HD22 ASN B 83 4.857 24.264 -1.067 1.00 0.00 H new ATOM 2240 N PHE B 84 1.406 19.723 -2.774 1.00 0.00 N ATOM 2241 CA PHE B 84 1.019 18.423 -2.259 1.00 0.00 C ATOM 2242 C PHE B 84 2.265 17.695 -1.775 1.00 0.00 C ATOM 2243 O PHE B 84 3.252 17.598 -2.502 1.00 0.00 O ATOM 2244 CB PHE B 84 0.304 17.611 -3.343 1.00 0.00 C ATOM 2245 CG PHE B 84 -0.219 16.285 -2.861 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.391 16.213 -2.124 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.461 15.111 -3.147 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.875 14.997 -1.682 1.00 0.00 C ATOM 2249 CE2 PHE B 84 -0.019 13.892 -2.708 1.00 0.00 C ATOM 2250 CZ PHE B 84 -1.188 13.834 -1.974 1.00 0.00 C ATOM 0 H PHE B 84 1.653 19.727 -3.764 1.00 0.00 H new ATOM 0 HA PHE B 84 0.327 18.549 -1.426 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.526 18.198 -3.735 1.00 0.00 H new ATOM 0 HB3 PHE B 84 0.993 17.441 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -1.932 17.119 -1.893 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.376 15.150 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.789 14.955 -1.109 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.520 12.985 -2.939 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.564 12.882 -1.629 1.00 0.00 H new ATOM 2260 N GLU B 85 2.215 17.202 -0.547 1.00 0.00 N ATOM 2261 CA GLU B 85 3.364 16.565 0.075 1.00 0.00 C ATOM 2262 C GLU B 85 3.091 15.091 0.337 1.00 0.00 C ATOM 2263 O GLU B 85 2.306 14.741 1.220 1.00 0.00 O ATOM 2264 CB GLU B 85 3.698 17.269 1.391 1.00 0.00 C ATOM 2265 CG GLU B 85 4.274 18.660 1.217 1.00 0.00 C ATOM 2266 CD GLU B 85 5.784 18.649 1.147 1.00 0.00 C ATOM 2267 OE1 GLU B 85 6.350 17.806 0.422 1.00 0.00 O ATOM 2268 OE2 GLU B 85 6.420 19.479 1.826 1.00 0.00 O ATOM 0 H GLU B 85 1.383 17.232 0.042 1.00 0.00 H new ATOM 0 HA GLU B 85 4.211 16.644 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU B 85 2.794 17.334 1.996 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.410 16.659 1.947 1.00 0.00 H new ATOM 0 HG2 GLU B 85 3.873 19.106 0.307 1.00 0.00 H new ATOM 0 HG3 GLU B 85 3.955 19.290 2.048 1.00 0.00 H new ATOM 2275 N ALA B 86 3.729 14.231 -0.438 1.00 0.00 N ATOM 2276 CA ALA B 86 3.610 12.800 -0.230 1.00 0.00 C ATOM 2277 C ALA B 86 4.915 12.234 0.314 1.00 0.00 C ATOM 2278 O ALA B 86 5.886 12.069 -0.421 1.00 0.00 O ATOM 2279 CB ALA B 86 3.224 12.103 -1.526 1.00 0.00 C ATOM 0 H ALA B 86 4.333 14.499 -1.215 1.00 0.00 H new ATOM 0 HA ALA B 86 2.823 12.620 0.503 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.139 11.030 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.267 12.490 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA B 86 3.989 12.288 -2.280 1.00 0.00 H new ATOM 2285 N VAL B 87 4.935 11.957 1.608 1.00 0.00 N ATOM 2286 CA VAL B 87 6.120 11.419 2.259 1.00 0.00 C ATOM 2287 C VAL B 87 5.988 9.910 2.428 1.00 0.00 C ATOM 2288 O VAL B 87 5.024 9.421 3.029 1.00 0.00 O ATOM 2289 CB VAL B 87 6.357 12.075 3.638 1.00 0.00 C ATOM 2290 CG1 VAL B 87 7.645 11.565 4.270 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.386 13.591 3.514 1.00 0.00 C ATOM 0 H VAL B 87 4.140 12.097 2.231 1.00 0.00 H new ATOM 0 HA VAL B 87 6.976 11.643 1.623 1.00 0.00 H new ATOM 0 HB VAL B 87 5.528 11.799 4.289 1.00 0.00 H new ATOM 0 HG11 VAL B 87 7.788 12.042 5.239 1.00 0.00 H new ATOM 0 HG12 VAL B 87 7.582 10.485 4.403 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.488 11.802 3.621 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.554 14.033 4.496 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.191 13.886 2.841 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.434 13.942 3.116 1.00 0.00 H new ATOM 2301 N ALA B 88 6.951 9.175 1.896 1.00 0.00 N ATOM 2302 CA ALA B 88 6.908 7.725 1.932 1.00 0.00 C ATOM 2303 C ALA B 88 8.249 7.140 2.357 1.00 0.00 C ATOM 2304 O ALA B 88 9.277 7.817 2.325 1.00 0.00 O ATOM 2305 CB ALA B 88 6.500 7.181 0.571 1.00 0.00 C ATOM 0 H ALA B 88 7.774 9.562 1.433 1.00 0.00 H new ATOM 0 HA ALA B 88 6.166 7.427 2.673 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.471 6.092 0.608 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.513 7.562 0.308 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.224 7.499 -0.180 1.00 0.00 H new ATOM 2311 N GLU B 89 8.226 5.870 2.729 1.00 0.00 N ATOM 2312 CA GLU B 89 9.427 5.159 3.128 1.00 0.00 C ATOM 2313 C GLU B 89 9.890 4.271 1.980 1.00 0.00 C ATOM 2314 O GLU B 89 9.067 3.714 1.255 1.00 0.00 O ATOM 2315 CB GLU B 89 9.148 4.252 4.330 1.00 0.00 C ATOM 2316 CG GLU B 89 8.547 4.932 5.550 1.00 0.00 C ATOM 2317 CD GLU B 89 8.110 3.923 6.608 1.00 0.00 C ATOM 2318 OE1 GLU B 89 6.991 3.369 6.492 1.00 0.00 O ATOM 2319 OE2 GLU B 89 8.887 3.658 7.550 1.00 0.00 O ATOM 0 H GLU B 89 7.377 5.306 2.762 1.00 0.00 H new ATOM 0 HA GLU B 89 10.186 5.896 3.390 1.00 0.00 H new ATOM 0 HB2 GLU B 89 8.473 3.457 4.012 1.00 0.00 H new ATOM 0 HB3 GLU B 89 10.083 3.777 4.627 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.278 5.616 5.981 1.00 0.00 H new ATOM 0 HG3 GLU B 89 7.690 5.532 5.245 1.00 0.00 H new ATOM 2326 N VAL B 90 11.196 4.148 1.814 1.00 0.00 N ATOM 2327 CA VAL B 90 11.757 3.231 0.832 1.00 0.00 C ATOM 2328 C VAL B 90 12.287 1.991 1.535 1.00 0.00 C ATOM 2329 O VAL B 90 13.256 2.066 2.290 1.00 0.00 O ATOM 2330 CB VAL B 90 12.898 3.882 0.022 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.507 2.887 -0.957 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.397 5.116 -0.711 1.00 0.00 C ATOM 0 H VAL B 90 11.890 4.672 2.347 1.00 0.00 H new ATOM 0 HA VAL B 90 10.960 2.963 0.138 1.00 0.00 H new ATOM 0 HB VAL B 90 13.677 4.189 0.720 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.309 3.370 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.909 2.036 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.739 2.542 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.216 5.561 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.596 4.833 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL B 90 12.019 5.840 0.011 1.00 0.00 H new ATOM 2342 N TYR B 91 11.651 0.858 1.294 1.00 0.00 N ATOM 2343 CA TYR B 91 12.064 -0.387 1.914 1.00 0.00 C ATOM 2344 C TYR B 91 12.512 -1.394 0.870 1.00 0.00 C ATOM 2345 O TYR B 91 11.953 -1.477 -0.225 1.00 0.00 O ATOM 2346 CB TYR B 91 10.943 -0.980 2.771 1.00 0.00 C ATOM 2347 CG TYR B 91 10.824 -0.347 4.140 1.00 0.00 C ATOM 2348 CD1 TYR B 91 10.181 0.867 4.313 1.00 0.00 C ATOM 2349 CD2 TYR B 91 11.352 -0.971 5.266 1.00 0.00 C ATOM 2350 CE1 TYR B 91 10.067 1.441 5.562 1.00 0.00 C ATOM 2351 CE2 TYR B 91 11.241 -0.400 6.520 1.00 0.00 C ATOM 2352 CZ TYR B 91 10.598 0.810 6.660 1.00 0.00 C ATOM 2353 OH TYR B 91 10.478 1.394 7.902 1.00 0.00 O ATOM 0 H TYR B 91 10.846 0.775 0.673 1.00 0.00 H new ATOM 0 HA TYR B 91 12.909 -0.161 2.564 1.00 0.00 H new ATOM 0 HB2 TYR B 91 9.996 -0.866 2.244 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.115 -2.050 2.889 1.00 0.00 H new ATOM 0 HD1 TYR B 91 9.762 1.373 3.456 1.00 0.00 H new ATOM 0 HD2 TYR B 91 11.858 -1.919 5.158 1.00 0.00 H new ATOM 0 HE1 TYR B 91 9.560 2.388 5.677 1.00 0.00 H new ATOM 0 HE2 TYR B 91 11.655 -0.899 7.384 1.00 0.00 H new ATOM 0 HH TYR B 91 9.925 2.200 7.832 1.00 0.00 H new ATOM 2363 N ASN B 92 13.532 -2.146 1.215 1.00 0.00 N ATOM 2364 CA ASN B 92 14.069 -3.160 0.335 1.00 0.00 C ATOM 2365 C ASN B 92 14.597 -4.312 1.171 1.00 0.00 C ATOM 2366 O ASN B 92 15.105 -4.098 2.270 1.00 0.00 O ATOM 2367 CB ASN B 92 15.179 -2.553 -0.531 1.00 0.00 C ATOM 2368 CG ASN B 92 15.763 -3.530 -1.528 1.00 0.00 C ATOM 2369 OD1 ASN B 92 15.105 -4.479 -1.946 1.00 0.00 O ATOM 2370 ND2 ASN B 92 16.992 -3.280 -1.947 1.00 0.00 N ATOM 0 H ASN B 92 14.012 -2.073 2.112 1.00 0.00 H new ATOM 0 HA ASN B 92 13.289 -3.537 -0.327 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.781 -1.691 -1.067 1.00 0.00 H new ATOM 0 HB3 ASN B 92 15.975 -2.186 0.116 1.00 0.00 H new ATOM 0 HD21 ASN B 92 17.427 -3.886 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN B 92 17.505 -2.481 -1.575 1.00 0.00 H new ATOM 2377 N ASP B 93 14.447 -5.530 0.677 1.00 0.00 N ATOM 2378 CA ASP B 93 14.921 -6.701 1.400 1.00 0.00 C ATOM 2379 C ASP B 93 16.444 -6.720 1.433 1.00 0.00 C ATOM 2380 O ASP B 93 17.102 -5.907 0.779 1.00 0.00 O ATOM 2381 CB ASP B 93 14.392 -7.990 0.765 1.00 0.00 C ATOM 2382 CG ASP B 93 14.850 -8.163 -0.666 1.00 0.00 C ATOM 2383 OD1 ASP B 93 15.947 -8.720 -0.884 1.00 0.00 O ATOM 2384 OD2 ASP B 93 14.118 -7.730 -1.581 1.00 0.00 O ATOM 0 H ASP B 93 14.003 -5.734 -0.218 1.00 0.00 H new ATOM 0 HA ASP B 93 14.544 -6.644 2.421 1.00 0.00 H new ATOM 0 HB2 ASP B 93 14.724 -8.844 1.355 1.00 0.00 H new ATOM 0 HB3 ASP B 93 13.302 -7.986 0.796 1.00 0.00 H new ATOM 2389 N ALA B 94 17.003 -7.649 2.189 1.00 0.00 N ATOM 2390 CA ALA B 94 18.443 -7.721 2.357 1.00 0.00 C ATOM 2391 C ALA B 94 19.108 -8.384 1.156 1.00 0.00 C ATOM 2392 O ALA B 94 19.558 -9.527 1.233 1.00 0.00 O ATOM 2393 CB ALA B 94 18.797 -8.458 3.642 1.00 0.00 C ATOM 0 H ALA B 94 16.481 -8.364 2.696 1.00 0.00 H new ATOM 0 HA ALA B 94 18.822 -6.702 2.427 1.00 0.00 H new ATOM 0 HB1 ALA B 94 19.881 -8.501 3.750 1.00 0.00 H new ATOM 0 HB2 ALA B 94 18.368 -7.930 4.494 1.00 0.00 H new ATOM 0 HB3 ALA B 94 18.395 -9.471 3.603 1.00 0.00 H new