USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=35 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 83 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Set 2.1: B 37 LYS NZ :NH3+ -176:sc= 1.83 (180deg=1.2) USER MOD Set 2.2: B 40 THR OG1 : rot 180:sc= 0.65 USER MOD Set 3.1: A 45 GLN : amide:sc= 0.728 K(o=1.8,f=-1.4) USER MOD Set 3.2: A 49 GLN : amide:sc= 1.11 K(o=1.8,f=-0.29) USER MOD Set 4.1: A 27 LYS NZ :NH3+ 170:sc= 1.12 (180deg=-0.118) USER MOD Set 4.2: A 31 SER OG : rot -80:sc= 0.957 USER MOD Single : A 24 GLN : amide:sc= 0.988 K(o=0.99,f=-4.1!) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00344 USER MOD Single : A 28 GLN : amide:sc= -0.503! X(o=-0.5!,f=-0.083) USER MOD Single : A 32 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-2.8!) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.0803 (180deg=-0.379) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 1.3 (180deg=1.22) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0372 K(o=-0.037,f=-2.1!) USER MOD Single : A 44 SER OG : rot -96:sc= 0.552 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.106 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= 2.38 (180deg=1.56) USER MOD Single : A 61 SER OG : rot -83:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ -118:sc= 0.129 (180deg=-0.169) USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.21) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.217 USER MOD Single : A 73 HIS : no HE2:sc= 0.852 K(o=0.85,f=-4!) USER MOD Single : A 80 HIS : no HD1:sc= -0.0195 X(o=-0.02,f=-0.022) USER MOD Single : A 83 ASN : amide:sc= -2.13! K(o=-2.1!,f=-0.017) USER MOD Single : A 91 TYR OH : rot -7:sc= 0.539 USER MOD Single : A 92 ASN : amide:sc= -3.34! C(o=-3.3!,f=-6.4!) USER MOD Single : B 24 GLN : amide:sc= -2.05 K(o=-2.1,f=-6.9!) USER MOD Single : B 26 SER OG : rot -72:sc= 0.89 USER MOD Single : B 27 LYS NZ :NH3+ 161:sc= -0.127 (180deg=-0.501) USER MOD Single : B 28 GLN : amide:sc= -1.78! C(o=-1.8!,f=-5.9!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-5.1!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= -0.648 K(o=-0.65,f=-4.8!) USER MOD Single : B 44 SER OG : rot 45:sc= 0.287 USER MOD Single : B 45 GLN : amide:sc= -1.24 K(o=-1.2,f=-6!) USER MOD Single : B 49 GLN : amide:sc= -0.682 K(o=-0.68,f=-0.012) 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= 0.00525 USER MOD Single : B 59 LYS NZ :NH3+ 178:sc= 2.48 (180deg=2.47) USER MOD Single : B 61 SER OG : rot 96:sc= 1.34 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 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 58:sc= -3.02! USER MOD Single : B 73 HIS : no HE2:sc= 0.152 K(o=0.15,f=-4.1!) USER MOD Single : B 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : B 91 TYR OH : rot 64:sc= 0.883 USER MOD Single : B 92 ASN : amide:sc= 1.47 K(o=1.5,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -5.137 -3.689 -9.198 1.00 0.00 N ATOM 2 CA ALA A 22 -5.680 -3.708 -7.826 1.00 0.00 C ATOM 3 C ALA A 22 -4.549 -3.556 -6.826 1.00 0.00 C ATOM 4 O ALA A 22 -3.681 -4.422 -6.723 1.00 0.00 O ATOM 5 CB ALA A 22 -6.455 -4.993 -7.571 1.00 0.00 C ATOM 0 HA ALA A 22 -6.370 -2.873 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.846 -4.986 -6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.282 -5.066 -8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.792 -5.849 -7.699 1.00 0.00 H new ATOM 13 N GLU A 23 -4.554 -2.452 -6.095 1.00 0.00 N ATOM 14 CA GLU A 23 -3.445 -2.146 -5.199 1.00 0.00 C ATOM 15 C GLU A 23 -3.946 -1.774 -3.814 1.00 0.00 C ATOM 16 O GLU A 23 -5.145 -1.605 -3.598 1.00 0.00 O ATOM 17 CB GLU A 23 -2.579 -1.005 -5.748 1.00 0.00 C ATOM 18 CG GLU A 23 -1.980 -1.268 -7.123 1.00 0.00 C ATOM 19 CD GLU A 23 -2.832 -0.720 -8.249 1.00 0.00 C ATOM 20 OE1 GLU A 23 -2.774 0.504 -8.490 1.00 0.00 O ATOM 21 OE2 GLU A 23 -3.552 -1.505 -8.904 1.00 0.00 O ATOM 0 H GLU A 23 -5.303 -1.759 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.836 -3.048 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.183 -0.099 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.769 -0.810 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.987 -0.820 -7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.853 -2.342 -7.259 1.00 0.00 H new ATOM 28 N GLN A 24 -3.018 -1.650 -2.875 1.00 0.00 N ATOM 29 CA GLN A 24 -3.356 -1.249 -1.522 1.00 0.00 C ATOM 30 C GLN A 24 -3.244 0.258 -1.379 1.00 0.00 C ATOM 31 O GLN A 24 -2.318 0.872 -1.909 1.00 0.00 O ATOM 32 CB GLN A 24 -2.449 -1.932 -0.498 1.00 0.00 C ATOM 33 CG GLN A 24 -2.767 -1.534 0.937 1.00 0.00 C ATOM 34 CD GLN A 24 -1.961 -2.294 1.968 1.00 0.00 C ATOM 35 OE1 GLN A 24 -2.429 -2.519 3.081 1.00 0.00 O ATOM 36 NE2 GLN A 24 -0.748 -2.682 1.609 1.00 0.00 N ATOM 0 H GLN A 24 -2.024 -1.822 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.384 -1.557 -1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.545 -3.013 -0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.411 -1.683 -0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.583 -0.467 1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.828 -1.698 1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.402 -2.472 0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.159 -3.191 2.268 1.00 0.00 H new ATOM 45 N VAL A 25 -4.192 0.839 -0.668 1.00 0.00 N ATOM 46 CA VAL A 25 -4.196 2.268 -0.419 1.00 0.00 C ATOM 47 C VAL A 25 -4.091 2.560 1.074 1.00 0.00 C ATOM 48 O VAL A 25 -4.673 1.855 1.906 1.00 0.00 O ATOM 49 CB VAL A 25 -5.466 2.937 -0.986 1.00 0.00 C ATOM 50 CG1 VAL A 25 -5.401 3.007 -2.503 1.00 0.00 C ATOM 51 CG2 VAL A 25 -6.715 2.187 -0.544 1.00 0.00 C ATOM 0 H VAL A 25 -4.976 0.338 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.327 2.685 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.518 3.952 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.305 3.482 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.531 3.590 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.321 1.999 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.598 2.676 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.669 1.159 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.774 2.188 0.544 1.00 0.00 H new ATOM 61 N SER A 26 -3.320 3.578 1.407 1.00 0.00 N ATOM 62 CA SER A 26 -3.210 4.041 2.779 1.00 0.00 C ATOM 63 C SER A 26 -4.387 4.959 3.097 1.00 0.00 C ATOM 64 O SER A 26 -5.047 5.457 2.187 1.00 0.00 O ATOM 65 CB SER A 26 -1.880 4.785 2.968 1.00 0.00 C ATOM 66 OG SER A 26 -1.729 5.260 4.298 1.00 0.00 O ATOM 0 H SER A 26 -2.756 4.105 0.740 1.00 0.00 H new ATOM 0 HA SER A 26 -3.231 3.190 3.460 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.052 4.119 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.830 5.624 2.274 1.00 0.00 H new ATOM 0 HG SER A 26 -0.872 5.727 4.383 1.00 0.00 H new ATOM 72 N LYS A 27 -4.660 5.183 4.380 1.00 0.00 N ATOM 73 CA LYS A 27 -5.722 6.107 4.771 1.00 0.00 C ATOM 74 C LYS A 27 -5.416 7.506 4.246 1.00 0.00 C ATOM 75 O LYS A 27 -6.318 8.284 3.945 1.00 0.00 O ATOM 76 CB LYS A 27 -5.893 6.137 6.294 1.00 0.00 C ATOM 77 CG LYS A 27 -6.884 7.188 6.769 1.00 0.00 C ATOM 78 CD LYS A 27 -7.107 7.124 8.269 1.00 0.00 C ATOM 79 CE LYS A 27 -7.924 8.310 8.760 1.00 0.00 C ATOM 80 NZ LYS A 27 -9.204 8.462 8.013 1.00 0.00 N ATOM 0 H LYS A 27 -4.168 4.744 5.158 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.657 5.758 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.224 5.156 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.925 6.325 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.519 8.179 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.835 7.048 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.620 6.197 8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.145 7.106 8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.138 8.187 9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.335 9.222 8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.801 9.170 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.004 8.773 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.702 7.549 7.989 1.00 0.00 H new ATOM 94 N GLN A 28 -4.129 7.799 4.109 1.00 0.00 N ATOM 95 CA GLN A 28 -3.679 9.078 3.575 1.00 0.00 C ATOM 96 C GLN A 28 -4.129 9.247 2.124 1.00 0.00 C ATOM 97 O GLN A 28 -4.276 10.366 1.635 1.00 0.00 O ATOM 98 CB GLN A 28 -2.158 9.170 3.685 1.00 0.00 C ATOM 99 CG GLN A 28 -1.666 9.158 5.125 1.00 0.00 C ATOM 100 CD GLN A 28 -0.179 8.894 5.246 1.00 0.00 C ATOM 101 OE1 GLN A 28 0.477 9.383 6.163 1.00 0.00 O ATOM 102 NE2 GLN A 28 0.361 8.107 4.330 1.00 0.00 N ATOM 0 H GLN A 28 -3.373 7.163 4.363 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.126 9.884 4.157 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.709 8.336 3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.818 10.084 3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.897 10.117 5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.210 8.395 5.682 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.218 7.721 3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.356 7.887 4.370 1.00 0.00 H new ATOM 111 N GLU A 29 -4.355 8.122 1.453 1.00 0.00 N ATOM 112 CA GLU A 29 -4.879 8.121 0.092 1.00 0.00 C ATOM 113 C GLU A 29 -6.407 8.063 0.128 1.00 0.00 C ATOM 114 O GLU A 29 -7.088 8.834 -0.550 1.00 0.00 O ATOM 115 CB GLU A 29 -4.326 6.920 -0.686 1.00 0.00 C ATOM 116 CG GLU A 29 -2.811 6.925 -0.828 1.00 0.00 C ATOM 117 CD GLU A 29 -2.264 5.608 -1.350 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.249 5.404 -2.583 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.850 4.770 -0.519 1.00 0.00 O ATOM 0 H GLU A 29 -4.182 7.192 1.834 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.567 9.037 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.631 6.002 -0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.775 6.905 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.517 7.728 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.361 7.142 0.141 1.00 0.00 H new ATOM 126 N ILE A 30 -6.929 7.156 0.953 1.00 0.00 N ATOM 127 CA ILE A 30 -8.371 6.951 1.090 1.00 0.00 C ATOM 128 C ILE A 30 -9.090 8.242 1.471 1.00 0.00 C ATOM 129 O ILE A 30 -10.058 8.639 0.821 1.00 0.00 O ATOM 130 CB ILE A 30 -8.687 5.872 2.154 1.00 0.00 C ATOM 131 CG1 ILE A 30 -8.044 4.538 1.767 1.00 0.00 C ATOM 132 CG2 ILE A 30 -10.193 5.708 2.321 1.00 0.00 C ATOM 133 CD1 ILE A 30 -8.207 3.455 2.813 1.00 0.00 C ATOM 0 H ILE A 30 -6.366 6.544 1.544 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.729 6.617 0.116 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.269 6.196 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.480 4.193 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.981 4.697 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.395 4.945 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.629 6.655 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.634 5.406 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.726 2.540 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.745 3.778 3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.268 3.266 2.979 1.00 0.00 H new ATOM 145 N SER A 31 -8.605 8.903 2.513 1.00 0.00 N ATOM 146 CA SER A 31 -9.243 10.108 3.024 1.00 0.00 C ATOM 147 C SER A 31 -8.923 11.325 2.154 1.00 0.00 C ATOM 148 O SER A 31 -9.452 12.412 2.379 1.00 0.00 O ATOM 149 CB SER A 31 -8.792 10.362 4.466 1.00 0.00 C ATOM 150 OG SER A 31 -9.064 9.239 5.291 1.00 0.00 O ATOM 0 H SER A 31 -7.767 8.623 3.023 1.00 0.00 H new ATOM 0 HA SER A 31 -10.322 9.955 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.724 10.580 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.303 11.240 4.861 1.00 0.00 H new ATOM 0 HG SER A 31 -10.008 9.246 5.553 1.00 0.00 H new ATOM 156 N HIS A 32 -8.058 11.145 1.163 1.00 0.00 N ATOM 157 CA HIS A 32 -7.671 12.253 0.298 1.00 0.00 C ATOM 158 C HIS A 32 -8.522 12.263 -0.965 1.00 0.00 C ATOM 159 O HIS A 32 -8.943 13.321 -1.428 1.00 0.00 O ATOM 160 CB HIS A 32 -6.190 12.155 -0.077 1.00 0.00 C ATOM 161 CG HIS A 32 -5.587 13.464 -0.501 1.00 0.00 C ATOM 162 ND1 HIS A 32 -4.792 14.218 0.330 1.00 0.00 N ATOM 163 CD2 HIS A 32 -5.660 14.150 -1.668 1.00 0.00 C ATOM 164 CE1 HIS A 32 -4.399 15.305 -0.303 1.00 0.00 C ATOM 165 NE2 HIS A 32 -4.913 15.295 -1.520 1.00 0.00 N ATOM 0 H HIS A 32 -7.616 10.253 0.940 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.834 13.182 0.845 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.633 11.768 0.776 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.076 11.433 -0.886 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.205 13.852 -2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.762 16.076 0.105 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.778 16.015 -2.230 1.00 0.00 H new ATOM 174 N PHE A 33 -8.768 11.082 -1.517 1.00 0.00 N ATOM 175 CA PHE A 33 -9.532 10.962 -2.753 1.00 0.00 C ATOM 176 C PHE A 33 -10.961 10.503 -2.476 1.00 0.00 C ATOM 177 O PHE A 33 -11.763 10.360 -3.399 1.00 0.00 O ATOM 178 CB PHE A 33 -8.842 9.990 -3.714 1.00 0.00 C ATOM 179 CG PHE A 33 -7.454 10.420 -4.105 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.260 11.356 -5.108 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.345 9.888 -3.467 1.00 0.00 C ATOM 182 CE1 PHE A 33 -5.986 11.752 -5.468 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.069 10.280 -3.822 1.00 0.00 C ATOM 184 CZ PHE A 33 -4.889 11.214 -4.824 1.00 0.00 C ATOM 0 H PHE A 33 -8.450 10.194 -1.129 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.576 11.947 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.792 9.005 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.449 9.887 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.114 11.781 -5.614 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.480 9.158 -2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.848 12.482 -6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.213 9.857 -3.317 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.892 11.523 -5.103 1.00 0.00 H new ATOM 194 N LYS A 34 -11.261 10.277 -1.195 1.00 0.00 N ATOM 195 CA LYS A 34 -12.598 9.876 -0.753 1.00 0.00 C ATOM 196 C LYS A 34 -12.983 8.514 -1.329 1.00 0.00 C ATOM 197 O LYS A 34 -14.009 8.375 -1.994 1.00 0.00 O ATOM 198 CB LYS A 34 -13.640 10.929 -1.152 1.00 0.00 C ATOM 199 CG LYS A 34 -13.336 12.328 -0.638 1.00 0.00 C ATOM 200 CD LYS A 34 -13.414 12.404 0.876 1.00 0.00 C ATOM 201 CE LYS A 34 -13.118 13.811 1.376 1.00 0.00 C ATOM 202 NZ LYS A 34 -14.022 14.820 0.763 1.00 0.00 N ATOM 0 H LYS A 34 -10.585 10.367 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.577 9.796 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.711 10.960 -2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.616 10.620 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.340 12.627 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.041 13.036 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.407 12.100 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.704 11.703 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.224 13.840 2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.083 14.066 1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.955 15.713 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.742 14.982 -0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.002 14.472 0.793 1.00 0.00 H new ATOM 216 N LEU A 35 -12.158 7.510 -1.060 1.00 0.00 N ATOM 217 CA LEU A 35 -12.397 6.167 -1.576 1.00 0.00 C ATOM 218 C LEU A 35 -13.553 5.497 -0.840 1.00 0.00 C ATOM 219 O LEU A 35 -13.735 5.689 0.366 1.00 0.00 O ATOM 220 CB LEU A 35 -11.132 5.314 -1.462 1.00 0.00 C ATOM 221 CG LEU A 35 -9.933 5.821 -2.268 1.00 0.00 C ATOM 222 CD1 LEU A 35 -8.739 4.904 -2.076 1.00 0.00 C ATOM 223 CD2 LEU A 35 -10.288 5.933 -3.743 1.00 0.00 C ATOM 0 H LEU A 35 -11.318 7.599 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.666 6.255 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.846 5.255 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.366 4.300 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.668 6.813 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.895 5.279 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.469 4.874 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.994 3.899 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.423 6.295 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.579 4.954 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.116 6.631 -3.866 1.00 0.00 H new ATOM 235 N VAL A 36 -14.328 4.711 -1.573 1.00 0.00 N ATOM 236 CA VAL A 36 -15.514 4.069 -1.025 1.00 0.00 C ATOM 237 C VAL A 36 -15.226 2.619 -0.646 1.00 0.00 C ATOM 238 O VAL A 36 -14.738 1.841 -1.461 1.00 0.00 O ATOM 239 CB VAL A 36 -16.681 4.121 -2.036 1.00 0.00 C ATOM 240 CG1 VAL A 36 -17.884 3.337 -1.534 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.071 5.563 -2.320 1.00 0.00 C ATOM 0 H VAL A 36 -14.155 4.501 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.799 4.615 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.342 3.657 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.687 3.394 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.602 2.295 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.226 3.760 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.894 5.583 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.382 6.045 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.216 6.096 -2.737 1.00 0.00 H new ATOM 251 N LYS A 37 -15.519 2.268 0.600 1.00 0.00 N ATOM 252 CA LYS A 37 -15.328 0.904 1.073 1.00 0.00 C ATOM 253 C LYS A 37 -16.478 0.012 0.618 1.00 0.00 C ATOM 254 O LYS A 37 -17.651 0.369 0.758 1.00 0.00 O ATOM 255 CB LYS A 37 -15.206 0.876 2.599 1.00 0.00 C ATOM 256 CG LYS A 37 -15.122 -0.529 3.178 1.00 0.00 C ATOM 257 CD LYS A 37 -14.954 -0.501 4.687 1.00 0.00 C ATOM 258 CE LYS A 37 -15.120 -1.885 5.290 1.00 0.00 C ATOM 259 NZ LYS A 37 -14.910 -1.874 6.760 1.00 0.00 N ATOM 0 H LYS A 37 -15.890 2.910 1.301 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.402 0.521 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.318 1.435 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.065 1.388 3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.025 -1.084 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.283 -1.060 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.968 -0.109 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.687 0.178 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.119 -2.261 5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.411 -2.571 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.081 -2.826 7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.932 -1.588 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.569 -1.200 7.200 1.00 0.00 H new ATOM 273 N VAL A 38 -16.132 -1.142 0.073 1.00 0.00 N ATOM 274 CA VAL A 38 -17.120 -2.094 -0.407 1.00 0.00 C ATOM 275 C VAL A 38 -17.395 -3.162 0.649 1.00 0.00 C ATOM 276 O VAL A 38 -18.546 -3.490 0.938 1.00 0.00 O ATOM 277 CB VAL A 38 -16.645 -2.778 -1.708 1.00 0.00 C ATOM 278 CG1 VAL A 38 -17.715 -3.712 -2.256 1.00 0.00 C ATOM 279 CG2 VAL A 38 -16.257 -1.736 -2.743 1.00 0.00 C ATOM 0 H VAL A 38 -15.165 -1.444 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.037 -1.541 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.765 -3.378 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.355 -4.180 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.938 -4.482 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.619 -3.143 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.925 -2.234 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.119 -1.107 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.449 -1.118 -2.352 1.00 0.00 H new ATOM 289 N GLY A 39 -16.328 -3.691 1.230 1.00 0.00 N ATOM 290 CA GLY A 39 -16.457 -4.746 2.214 1.00 0.00 C ATOM 291 C GLY A 39 -15.124 -5.103 2.827 1.00 0.00 C ATOM 292 O GLY A 39 -14.180 -4.315 2.760 1.00 0.00 O ATOM 0 H GLY A 39 -15.368 -3.406 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.145 -4.430 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.891 -5.630 1.746 1.00 0.00 H new ATOM 296 N THR A 40 -15.037 -6.289 3.405 1.00 0.00 N ATOM 297 CA THR A 40 -13.811 -6.745 4.040 1.00 0.00 C ATOM 298 C THR A 40 -13.529 -8.202 3.663 1.00 0.00 C ATOM 299 O THR A 40 -14.453 -9.002 3.512 1.00 0.00 O ATOM 300 CB THR A 40 -13.906 -6.603 5.577 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.285 -5.260 5.922 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.582 -6.941 6.247 1.00 0.00 C ATOM 0 H THR A 40 -15.806 -6.958 3.448 1.00 0.00 H new ATOM 0 HA THR A 40 -12.990 -6.122 3.685 1.00 0.00 H new ATOM 0 HB THR A 40 -14.661 -7.305 5.932 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.345 -5.177 6.897 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.682 -6.831 7.327 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.307 -7.969 6.011 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.808 -6.265 5.884 1.00 0.00 H new ATOM 310 N ILE A 41 -12.258 -8.530 3.477 1.00 0.00 N ATOM 311 CA ILE A 41 -11.852 -9.886 3.133 1.00 0.00 C ATOM 312 C ILE A 41 -10.783 -10.378 4.098 1.00 0.00 C ATOM 313 O ILE A 41 -10.123 -9.582 4.767 1.00 0.00 O ATOM 314 CB ILE A 41 -11.289 -9.976 1.696 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.149 -8.971 1.504 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.387 -9.753 0.668 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.481 -9.054 0.152 1.00 0.00 C ATOM 0 H ILE A 41 -11.485 -7.870 3.559 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.744 -10.508 3.200 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.890 -10.979 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.539 -7.963 1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.400 -9.134 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.966 -9.821 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.159 -10.513 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.824 -8.765 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.685 -8.312 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.059 -10.050 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.216 -8.861 -0.629 1.00 0.00 H new ATOM 329 N ASN A 42 -10.612 -11.686 4.174 1.00 0.00 N ATOM 330 CA ASN A 42 -9.551 -12.258 4.984 1.00 0.00 C ATOM 331 C ASN A 42 -9.023 -13.536 4.351 1.00 0.00 C ATOM 332 O ASN A 42 -9.788 -14.410 3.941 1.00 0.00 O ATOM 333 CB ASN A 42 -10.009 -12.517 6.430 1.00 0.00 C ATOM 334 CG ASN A 42 -11.075 -13.593 6.567 1.00 0.00 C ATOM 335 OD1 ASN A 42 -11.936 -13.768 5.702 1.00 0.00 O ATOM 336 ND2 ASN A 42 -11.019 -14.327 7.667 1.00 0.00 N ATOM 0 H ASN A 42 -11.191 -12.370 3.687 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.742 -11.528 5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.143 -12.802 7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.393 -11.587 6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.703 -15.067 7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.291 -14.152 8.360 1.00 0.00 H new ATOM 343 N VAL A 43 -7.710 -13.619 4.243 1.00 0.00 N ATOM 344 CA VAL A 43 -7.058 -14.796 3.702 1.00 0.00 C ATOM 345 C VAL A 43 -6.500 -15.642 4.835 1.00 0.00 C ATOM 346 O VAL A 43 -5.464 -15.311 5.415 1.00 0.00 O ATOM 347 CB VAL A 43 -5.914 -14.427 2.731 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.289 -15.677 2.129 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.412 -13.500 1.633 1.00 0.00 C ATOM 0 H VAL A 43 -7.069 -12.877 4.526 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.807 -15.358 3.144 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.148 -13.902 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.486 -15.391 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.885 -16.301 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.048 -16.235 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.588 -13.255 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.203 -13.995 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.802 -12.585 2.079 1.00 0.00 H new ATOM 359 N SER A 44 -7.214 -16.701 5.174 1.00 0.00 N ATOM 360 CA SER A 44 -6.762 -17.639 6.183 1.00 0.00 C ATOM 361 C SER A 44 -6.094 -18.827 5.506 1.00 0.00 C ATOM 362 O SER A 44 -6.738 -19.583 4.773 1.00 0.00 O ATOM 363 CB SER A 44 -7.942 -18.102 7.038 1.00 0.00 C ATOM 364 OG SER A 44 -8.647 -16.992 7.575 1.00 0.00 O ATOM 0 H SER A 44 -8.117 -16.933 4.760 1.00 0.00 H new ATOM 0 HA SER A 44 -6.039 -17.149 6.835 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.617 -18.709 6.435 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.582 -18.736 7.849 1.00 0.00 H new ATOM 0 HG SER A 44 -8.325 -16.808 8.482 1.00 0.00 H new ATOM 370 N GLN A 45 -4.802 -18.974 5.729 1.00 0.00 N ATOM 371 CA GLN A 45 -4.039 -20.024 5.076 1.00 0.00 C ATOM 372 C GLN A 45 -3.317 -20.894 6.086 1.00 0.00 C ATOM 373 O GLN A 45 -2.888 -20.421 7.135 1.00 0.00 O ATOM 374 CB GLN A 45 -3.038 -19.417 4.096 1.00 0.00 C ATOM 375 CG GLN A 45 -3.691 -18.864 2.843 1.00 0.00 C ATOM 376 CD GLN A 45 -4.420 -19.936 2.063 1.00 0.00 C ATOM 377 OE1 GLN A 45 -4.037 -21.105 2.094 1.00 0.00 O ATOM 378 NE2 GLN A 45 -5.469 -19.546 1.359 1.00 0.00 N ATOM 0 H GLN A 45 -4.258 -18.381 6.356 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.740 -20.655 4.529 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.489 -18.618 4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.309 -20.177 3.813 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.392 -18.075 3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.931 -18.408 2.209 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.750 -18.566 1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.997 -20.226 0.812 1.00 0.00 H new ATOM 387 N SER A 46 -3.167 -22.165 5.743 1.00 0.00 N ATOM 388 CA SER A 46 -2.479 -23.124 6.598 1.00 0.00 C ATOM 389 C SER A 46 -0.960 -23.000 6.443 1.00 0.00 C ATOM 390 O SER A 46 -0.211 -23.911 6.799 1.00 0.00 O ATOM 391 CB SER A 46 -2.938 -24.541 6.246 1.00 0.00 C ATOM 392 OG SER A 46 -4.351 -24.646 6.324 1.00 0.00 O ATOM 0 H SER A 46 -3.516 -22.560 4.870 1.00 0.00 H new ATOM 0 HA SER A 46 -2.728 -22.912 7.638 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.605 -24.797 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.477 -25.257 6.926 1.00 0.00 H new ATOM 0 HG SER A 46 -4.624 -25.559 6.094 1.00 0.00 H new ATOM 398 N GLY A 47 -0.517 -21.865 5.907 1.00 0.00 N ATOM 399 CA GLY A 47 0.902 -21.611 5.742 1.00 0.00 C ATOM 400 C GLY A 47 1.515 -22.395 4.599 1.00 0.00 C ATOM 401 O GLY A 47 2.733 -22.424 4.444 1.00 0.00 O ATOM 0 H GLY A 47 -1.123 -21.112 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.057 -20.546 5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.421 -21.863 6.667 1.00 0.00 H new ATOM 405 N GLY A 48 0.673 -23.019 3.787 1.00 0.00 N ATOM 406 CA GLY A 48 1.169 -23.848 2.707 1.00 0.00 C ATOM 407 C GLY A 48 0.815 -23.306 1.338 1.00 0.00 C ATOM 408 O GLY A 48 0.540 -24.075 0.419 1.00 0.00 O ATOM 0 H GLY A 48 -0.343 -22.966 3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.253 -23.933 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.761 -24.854 2.811 1.00 0.00 H new ATOM 412 N GLN A 49 0.808 -21.983 1.200 1.00 0.00 N ATOM 413 CA GLN A 49 0.541 -21.350 -0.092 1.00 0.00 C ATOM 414 C GLN A 49 1.347 -20.061 -0.251 1.00 0.00 C ATOM 415 O GLN A 49 2.187 -19.956 -1.144 1.00 0.00 O ATOM 416 CB GLN A 49 -0.958 -21.072 -0.289 1.00 0.00 C ATOM 417 CG GLN A 49 -1.771 -22.320 -0.606 1.00 0.00 C ATOM 418 CD GLN A 49 -3.081 -22.013 -1.307 1.00 0.00 C ATOM 419 OE1 GLN A 49 -3.135 -21.940 -2.536 1.00 0.00 O ATOM 420 NE2 GLN A 49 -4.144 -21.846 -0.542 1.00 0.00 N ATOM 0 H GLN A 49 0.983 -21.329 1.963 1.00 0.00 H new ATOM 0 HA GLN A 49 0.856 -22.052 -0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.355 -20.609 0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.083 -20.352 -1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.177 -22.984 -1.233 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.978 -22.857 0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.058 -21.914 0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.051 -21.649 -0.965 1.00 0.00 H new ATOM 429 N ILE A 50 1.097 -19.085 0.615 1.00 0.00 N ATOM 430 CA ILE A 50 1.819 -17.815 0.559 1.00 0.00 C ATOM 431 C ILE A 50 3.249 -17.994 1.063 1.00 0.00 C ATOM 432 O ILE A 50 3.467 -18.403 2.202 1.00 0.00 O ATOM 433 CB ILE A 50 1.114 -16.693 1.379 1.00 0.00 C ATOM 434 CG1 ILE A 50 -0.144 -16.179 0.665 1.00 0.00 C ATOM 435 CG2 ILE A 50 2.064 -15.530 1.639 1.00 0.00 C ATOM 436 CD1 ILE A 50 -1.265 -17.188 0.567 1.00 0.00 C ATOM 0 H ILE A 50 0.404 -19.146 1.361 1.00 0.00 H new ATOM 0 HA ILE A 50 1.830 -17.504 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 50 0.817 -17.132 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.510 -15.297 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.129 -15.859 -0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.548 -14.760 2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.928 -15.884 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.397 -15.112 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.113 -16.740 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.921 -18.061 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.571 -17.491 1.569 1.00 0.00 H new ATOM 448 N SER A 51 4.214 -17.726 0.195 1.00 0.00 N ATOM 449 CA SER A 51 5.619 -17.773 0.574 1.00 0.00 C ATOM 450 C SER A 51 6.319 -16.470 0.190 1.00 0.00 C ATOM 451 O SER A 51 7.544 -16.358 0.263 1.00 0.00 O ATOM 452 CB SER A 51 6.298 -18.964 -0.103 1.00 0.00 C ATOM 453 OG SER A 51 5.612 -20.168 0.197 1.00 0.00 O ATOM 0 H SER A 51 4.049 -17.473 -0.779 1.00 0.00 H new ATOM 0 HA SER A 51 5.690 -17.893 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.320 -18.811 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.333 -19.037 0.230 1.00 0.00 H new ATOM 0 HG SER A 51 6.060 -20.919 -0.246 1.00 0.00 H new ATOM 459 N SER A 52 5.527 -15.483 -0.207 1.00 0.00 N ATOM 460 CA SER A 52 6.056 -14.199 -0.630 1.00 0.00 C ATOM 461 C SER A 52 5.006 -13.110 -0.443 1.00 0.00 C ATOM 462 O SER A 52 3.807 -13.400 -0.411 1.00 0.00 O ATOM 463 CB SER A 52 6.475 -14.272 -2.103 1.00 0.00 C ATOM 464 OG SER A 52 5.372 -14.614 -2.928 1.00 0.00 O ATOM 0 H SER A 52 4.510 -15.551 -0.244 1.00 0.00 H new ATOM 0 HA SER A 52 6.926 -13.956 -0.020 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.885 -13.312 -2.417 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.267 -15.011 -2.224 1.00 0.00 H new ATOM 0 HG SER A 52 5.663 -14.653 -3.863 1.00 0.00 H new ATOM 470 N PRO A 53 5.435 -11.843 -0.298 1.00 0.00 N ATOM 471 CA PRO A 53 4.512 -10.707 -0.251 1.00 0.00 C ATOM 472 C PRO A 53 3.687 -10.621 -1.530 1.00 0.00 C ATOM 473 O PRO A 53 2.520 -10.229 -1.507 1.00 0.00 O ATOM 474 CB PRO A 53 5.432 -9.487 -0.122 1.00 0.00 C ATOM 475 CG PRO A 53 6.719 -10.027 0.399 1.00 0.00 C ATOM 476 CD PRO A 53 6.839 -11.419 -0.153 1.00 0.00 C ATOM 0 HA PRO A 53 3.796 -10.786 0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.572 -8.995 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.011 -8.746 0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.558 -9.408 0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.725 -10.038 1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.364 -11.430 -1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.390 -12.074 0.522 1.00 0.00 H new ATOM 484 N SER A 54 4.306 -11.015 -2.638 1.00 0.00 N ATOM 485 CA SER A 54 3.647 -11.042 -3.935 1.00 0.00 C ATOM 486 C SER A 54 2.402 -11.922 -3.886 1.00 0.00 C ATOM 487 O SER A 54 1.311 -11.491 -4.256 1.00 0.00 O ATOM 488 CB SER A 54 4.617 -11.583 -4.985 1.00 0.00 C ATOM 489 OG SER A 54 5.919 -11.056 -4.789 1.00 0.00 O ATOM 0 H SER A 54 5.278 -11.324 -2.660 1.00 0.00 H new ATOM 0 HA SER A 54 3.345 -10.028 -4.198 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.649 -12.671 -4.931 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.262 -11.324 -5.982 1.00 0.00 H new ATOM 0 HG SER A 54 6.524 -11.417 -5.471 1.00 0.00 H new ATOM 495 N ASP A 55 2.579 -13.149 -3.400 1.00 0.00 N ATOM 496 CA ASP A 55 1.498 -14.130 -3.345 1.00 0.00 C ATOM 497 C ASP A 55 0.363 -13.631 -2.460 1.00 0.00 C ATOM 498 O ASP A 55 -0.814 -13.752 -2.804 1.00 0.00 O ATOM 499 CB ASP A 55 2.025 -15.455 -2.793 1.00 0.00 C ATOM 500 CG ASP A 55 1.178 -16.642 -3.200 1.00 0.00 C ATOM 501 OD1 ASP A 55 0.032 -16.775 -2.716 1.00 0.00 O ATOM 502 OD2 ASP A 55 1.671 -17.466 -3.999 1.00 0.00 O ATOM 0 H ASP A 55 3.469 -13.489 -3.036 1.00 0.00 H new ATOM 0 HA ASP A 55 1.118 -14.278 -4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.046 -15.607 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.065 -15.399 -1.705 1.00 0.00 H new ATOM 507 N LEU A 56 0.732 -13.053 -1.324 1.00 0.00 N ATOM 508 CA LEU A 56 -0.241 -12.543 -0.371 1.00 0.00 C ATOM 509 C LEU A 56 -1.043 -11.394 -0.971 1.00 0.00 C ATOM 510 O LEU A 56 -2.274 -11.386 -0.918 1.00 0.00 O ATOM 511 CB LEU A 56 0.461 -12.072 0.904 1.00 0.00 C ATOM 512 CG LEU A 56 -0.463 -11.467 1.959 1.00 0.00 C ATOM 513 CD1 LEU A 56 -1.496 -12.489 2.410 1.00 0.00 C ATOM 514 CD2 LEU A 56 0.343 -10.955 3.141 1.00 0.00 C ATOM 0 H LEU A 56 1.704 -12.926 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.927 -13.354 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.988 -12.918 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.215 -11.332 0.635 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.991 -10.622 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.146 -12.042 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.093 -12.804 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.989 -13.354 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.331 -10.527 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.898 -11.780 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.041 -10.190 2.801 1.00 0.00 H new ATOM 526 N ARG A 57 -0.342 -10.433 -1.553 1.00 0.00 N ATOM 527 CA ARG A 57 -0.986 -9.258 -2.116 1.00 0.00 C ATOM 528 C ARG A 57 -1.765 -9.619 -3.378 1.00 0.00 C ATOM 529 O ARG A 57 -2.718 -8.931 -3.744 1.00 0.00 O ATOM 530 CB ARG A 57 0.052 -8.169 -2.385 1.00 0.00 C ATOM 531 CG ARG A 57 0.728 -7.681 -1.109 1.00 0.00 C ATOM 532 CD ARG A 57 1.793 -6.633 -1.385 1.00 0.00 C ATOM 533 NE ARG A 57 1.240 -5.442 -2.027 1.00 0.00 N ATOM 534 CZ ARG A 57 1.251 -4.228 -1.475 1.00 0.00 C ATOM 535 NH1 ARG A 57 1.677 -4.057 -0.230 1.00 0.00 N ATOM 536 NH2 ARG A 57 0.796 -3.185 -2.158 1.00 0.00 N ATOM 0 H ARG A 57 0.674 -10.444 -1.647 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.704 -8.868 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.808 -8.553 -3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.430 -7.327 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.024 -7.264 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.180 -8.528 -0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.273 -6.349 -0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.566 -7.062 -2.022 1.00 0.00 H new ATOM 0 HE ARG A 57 0.821 -5.545 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.000 -4.858 0.313 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.682 -3.125 0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.438 -3.312 -3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.804 -2.256 -1.736 1.00 0.00 H new ATOM 550 N GLU A 58 -1.358 -10.704 -4.029 1.00 0.00 N ATOM 551 CA GLU A 58 -2.123 -11.276 -5.133 1.00 0.00 C ATOM 552 C GLU A 58 -3.498 -11.709 -4.638 1.00 0.00 C ATOM 553 O GLU A 58 -4.524 -11.353 -5.213 1.00 0.00 O ATOM 554 CB GLU A 58 -1.389 -12.485 -5.719 1.00 0.00 C ATOM 555 CG GLU A 58 -2.192 -13.243 -6.764 1.00 0.00 C ATOM 556 CD GLU A 58 -1.624 -14.616 -7.048 1.00 0.00 C ATOM 557 OE1 GLU A 58 -1.988 -15.576 -6.333 1.00 0.00 O ATOM 558 OE2 GLU A 58 -0.813 -14.747 -7.989 1.00 0.00 O ATOM 0 H GLU A 58 -0.498 -11.207 -3.810 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.236 -10.518 -5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.454 -12.149 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.128 -13.167 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.223 -13.343 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.216 -12.665 -7.688 1.00 0.00 H new ATOM 565 N LYS A 59 -3.499 -12.476 -3.554 1.00 0.00 N ATOM 566 CA LYS A 59 -4.732 -12.958 -2.953 1.00 0.00 C ATOM 567 C LYS A 59 -5.630 -11.794 -2.560 1.00 0.00 C ATOM 568 O LYS A 59 -6.803 -11.750 -2.922 1.00 0.00 O ATOM 569 CB LYS A 59 -4.422 -13.813 -1.721 1.00 0.00 C ATOM 570 CG LYS A 59 -3.627 -15.069 -2.035 1.00 0.00 C ATOM 571 CD LYS A 59 -4.391 -15.977 -2.981 1.00 0.00 C ATOM 572 CE LYS A 59 -3.621 -17.246 -3.300 1.00 0.00 C ATOM 573 NZ LYS A 59 -2.340 -16.974 -4.014 1.00 0.00 N ATOM 0 H LYS A 59 -2.652 -12.778 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.254 -13.568 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.865 -13.211 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.359 -14.097 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.671 -14.796 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.406 -15.604 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.351 -16.238 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.604 -15.440 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.410 -17.781 -2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.242 -17.900 -3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.989 -17.853 -4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.501 -16.265 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.636 -16.614 -3.339 1.00 0.00 H new ATOM 587 N LEU A 60 -5.056 -10.843 -1.836 1.00 0.00 N ATOM 588 CA LEU A 60 -5.802 -9.693 -1.340 1.00 0.00 C ATOM 589 C LEU A 60 -6.442 -8.903 -2.480 1.00 0.00 C ATOM 590 O LEU A 60 -7.611 -8.533 -2.405 1.00 0.00 O ATOM 591 CB LEU A 60 -4.879 -8.785 -0.527 1.00 0.00 C ATOM 592 CG LEU A 60 -4.250 -9.438 0.704 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.240 -8.502 1.344 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.323 -9.830 1.711 1.00 0.00 C ATOM 0 H LEU A 60 -4.069 -10.845 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.604 -10.064 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.081 -8.427 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.445 -7.910 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.731 -10.342 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.802 -8.983 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.454 -8.269 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.738 -7.581 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.855 -10.293 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.870 -8.941 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.013 -10.537 1.251 1.00 0.00 H new ATOM 606 N SER A 61 -5.684 -8.667 -3.540 1.00 0.00 N ATOM 607 CA SER A 61 -6.174 -7.864 -4.651 1.00 0.00 C ATOM 608 C SER A 61 -7.244 -8.610 -5.449 1.00 0.00 C ATOM 609 O SER A 61 -8.259 -8.028 -5.837 1.00 0.00 O ATOM 610 CB SER A 61 -5.012 -7.453 -5.559 1.00 0.00 C ATOM 611 OG SER A 61 -4.246 -8.575 -5.954 1.00 0.00 O ATOM 0 H SER A 61 -4.733 -9.017 -3.655 1.00 0.00 H new ATOM 0 HA SER A 61 -6.635 -6.966 -4.241 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.400 -6.946 -6.442 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.374 -6.740 -5.036 1.00 0.00 H new ATOM 0 HG SER A 61 -3.598 -8.792 -5.252 1.00 0.00 H new ATOM 617 N GLU A 62 -7.027 -9.902 -5.671 1.00 0.00 N ATOM 618 CA GLU A 62 -7.953 -10.704 -6.460 1.00 0.00 C ATOM 619 C GLU A 62 -9.271 -10.919 -5.717 1.00 0.00 C ATOM 620 O GLU A 62 -10.345 -10.883 -6.321 1.00 0.00 O ATOM 621 CB GLU A 62 -7.321 -12.049 -6.824 1.00 0.00 C ATOM 622 CG GLU A 62 -8.163 -12.877 -7.781 1.00 0.00 C ATOM 623 CD GLU A 62 -7.453 -14.125 -8.254 1.00 0.00 C ATOM 624 OE1 GLU A 62 -6.707 -14.047 -9.254 1.00 0.00 O ATOM 625 OE2 GLU A 62 -7.636 -15.193 -7.630 1.00 0.00 O ATOM 0 H GLU A 62 -6.220 -10.415 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.169 -10.158 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.344 -11.872 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.154 -12.621 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.094 -13.158 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.430 -12.267 -8.644 1.00 0.00 H new ATOM 632 N LEU A 63 -9.198 -11.130 -4.406 1.00 0.00 N ATOM 633 CA LEU A 63 -10.405 -11.328 -3.611 1.00 0.00 C ATOM 634 C LEU A 63 -11.169 -10.014 -3.479 1.00 0.00 C ATOM 635 O LEU A 63 -12.396 -10.004 -3.388 1.00 0.00 O ATOM 636 CB LEU A 63 -10.068 -11.885 -2.223 1.00 0.00 C ATOM 637 CG LEU A 63 -9.265 -13.192 -2.209 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.102 -13.695 -0.784 1.00 0.00 C ATOM 639 CD2 LEU A 63 -9.925 -14.254 -3.076 1.00 0.00 C ATOM 0 H LEU A 63 -8.327 -11.168 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.033 -12.056 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.506 -11.129 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.999 -12.046 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.279 -12.987 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.530 -14.623 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.574 -12.947 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.084 -13.876 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.332 -15.168 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.928 -14.459 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.988 -13.897 -4.104 1.00 0.00 H new ATOM 651 N ALA A 64 -10.434 -8.906 -3.484 1.00 0.00 N ATOM 652 CA ALA A 64 -11.045 -7.584 -3.443 1.00 0.00 C ATOM 653 C ALA A 64 -11.763 -7.291 -4.753 1.00 0.00 C ATOM 654 O ALA A 64 -12.877 -6.764 -4.761 1.00 0.00 O ATOM 655 CB ALA A 64 -9.995 -6.518 -3.163 1.00 0.00 C ATOM 0 H ALA A 64 -9.415 -8.899 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.776 -7.567 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.470 -5.537 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.521 -6.718 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.241 -6.534 -3.950 1.00 0.00 H new ATOM 661 N ASP A 65 -11.118 -7.648 -5.859 1.00 0.00 N ATOM 662 CA ASP A 65 -11.706 -7.478 -7.185 1.00 0.00 C ATOM 663 C ASP A 65 -12.971 -8.324 -7.300 1.00 0.00 C ATOM 664 O ASP A 65 -13.970 -7.898 -7.882 1.00 0.00 O ATOM 665 CB ASP A 65 -10.695 -7.876 -8.267 1.00 0.00 C ATOM 666 CG ASP A 65 -11.106 -7.435 -9.663 1.00 0.00 C ATOM 667 OD1 ASP A 65 -11.994 -8.074 -10.261 1.00 0.00 O ATOM 668 OD2 ASP A 65 -10.520 -6.458 -10.183 1.00 0.00 O ATOM 0 H ASP A 65 -10.184 -8.059 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.969 -6.430 -7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.725 -7.441 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.570 -8.959 -8.257 1.00 0.00 H new ATOM 673 N ALA A 66 -12.925 -9.516 -6.710 1.00 0.00 N ATOM 674 CA ALA A 66 -14.069 -10.422 -6.697 1.00 0.00 C ATOM 675 C ALA A 66 -15.219 -9.854 -5.868 1.00 0.00 C ATOM 676 O ALA A 66 -16.390 -10.028 -6.213 1.00 0.00 O ATOM 677 CB ALA A 66 -13.656 -11.786 -6.162 1.00 0.00 C ATOM 0 H ALA A 66 -12.100 -9.878 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.419 -10.534 -7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.519 -12.452 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.877 -12.206 -6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.276 -11.678 -5.146 1.00 0.00 H new ATOM 683 N LYS A 67 -14.883 -9.189 -4.764 1.00 0.00 N ATOM 684 CA LYS A 67 -15.889 -8.531 -3.934 1.00 0.00 C ATOM 685 C LYS A 67 -16.530 -7.375 -4.687 1.00 0.00 C ATOM 686 O LYS A 67 -17.751 -7.209 -4.665 1.00 0.00 O ATOM 687 CB LYS A 67 -15.279 -8.019 -2.624 1.00 0.00 C ATOM 688 CG LYS A 67 -15.123 -9.084 -1.550 1.00 0.00 C ATOM 689 CD LYS A 67 -16.466 -9.695 -1.175 1.00 0.00 C ATOM 690 CE LYS A 67 -16.367 -10.557 0.075 1.00 0.00 C ATOM 691 NZ LYS A 67 -16.143 -9.747 1.304 1.00 0.00 N ATOM 0 H LYS A 67 -13.926 -9.092 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 67 -16.653 -9.270 -3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.301 -7.587 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -15.904 -7.216 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.452 -9.866 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.661 -8.646 -0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.194 -8.900 -1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.835 -10.299 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.283 -11.137 0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.550 -11.270 -0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.231 -10.008 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.133 -8.737 1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.908 -9.930 1.984 1.00 0.00 H new ATOM 705 N GLY A 68 -15.702 -6.584 -5.352 1.00 0.00 N ATOM 706 CA GLY A 68 -16.202 -5.463 -6.120 1.00 0.00 C ATOM 707 C GLY A 68 -15.403 -4.200 -5.883 1.00 0.00 C ATOM 708 O GLY A 68 -15.969 -3.117 -5.746 1.00 0.00 O ATOM 0 H GLY A 68 -14.689 -6.699 -5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.176 -5.712 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.245 -5.284 -5.860 1.00 0.00 H new ATOM 712 N GLY A 69 -14.085 -4.338 -5.829 1.00 0.00 N ATOM 713 CA GLY A 69 -13.227 -3.190 -5.623 1.00 0.00 C ATOM 714 C GLY A 69 -11.954 -3.287 -6.434 1.00 0.00 C ATOM 715 O GLY A 69 -11.650 -4.341 -6.988 1.00 0.00 O ATOM 0 H GLY A 69 -13.595 -5.227 -5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.764 -2.282 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.978 -3.107 -4.565 1.00 0.00 H new ATOM 719 N LYS A 70 -11.218 -2.188 -6.518 1.00 0.00 N ATOM 720 CA LYS A 70 -9.966 -2.167 -7.267 1.00 0.00 C ATOM 721 C LYS A 70 -8.802 -1.865 -6.328 1.00 0.00 C ATOM 722 O LYS A 70 -7.633 -1.847 -6.730 1.00 0.00 O ATOM 723 CB LYS A 70 -10.025 -1.121 -8.387 1.00 0.00 C ATOM 724 CG LYS A 70 -11.264 -1.228 -9.273 1.00 0.00 C ATOM 725 CD LYS A 70 -11.385 -2.595 -9.937 1.00 0.00 C ATOM 726 CE LYS A 70 -10.248 -2.854 -10.910 1.00 0.00 C ATOM 727 NZ LYS A 70 -10.392 -4.165 -11.596 1.00 0.00 N ATOM 0 H LYS A 70 -11.464 -1.301 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.815 -3.148 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.994 -0.126 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.136 -1.220 -9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.154 -1.038 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.226 -0.456 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.392 -3.371 -9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.336 -2.659 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.218 -2.057 -11.653 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.299 -2.827 -10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.478 -4.445 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.698 -4.884 -10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.101 -4.085 -12.353 1.00 0.00 H new ATOM 741 N TYR A 71 -9.133 -1.622 -5.072 1.00 0.00 N ATOM 742 CA TYR A 71 -8.138 -1.326 -4.062 1.00 0.00 C ATOM 743 C TYR A 71 -8.453 -2.083 -2.784 1.00 0.00 C ATOM 744 O TYR A 71 -9.600 -2.457 -2.539 1.00 0.00 O ATOM 745 CB TYR A 71 -8.085 0.178 -3.779 1.00 0.00 C ATOM 746 CG TYR A 71 -7.649 1.008 -4.966 1.00 0.00 C ATOM 747 CD1 TYR A 71 -6.323 1.011 -5.380 1.00 0.00 C ATOM 748 CD2 TYR A 71 -8.560 1.783 -5.674 1.00 0.00 C ATOM 749 CE1 TYR A 71 -5.918 1.763 -6.463 1.00 0.00 C ATOM 750 CE2 TYR A 71 -8.160 2.538 -6.761 1.00 0.00 C ATOM 751 CZ TYR A 71 -6.837 2.523 -7.151 1.00 0.00 C ATOM 752 OH TYR A 71 -6.428 3.275 -8.229 1.00 0.00 O ATOM 0 H TYR A 71 -10.093 -1.625 -4.727 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.164 -1.642 -4.435 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.071 0.512 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.400 0.358 -2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.598 0.415 -4.846 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -9.596 1.796 -5.370 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.883 1.756 -6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.879 3.136 -7.301 1.00 0.00 H new ATOM 0 HH TYR A 71 -7.197 3.752 -8.605 1.00 0.00 H new ATOM 762 N TYR A 72 -7.434 -2.319 -1.982 1.00 0.00 N ATOM 763 CA TYR A 72 -7.614 -2.980 -0.705 1.00 0.00 C ATOM 764 C TYR A 72 -6.790 -2.280 0.365 1.00 0.00 C ATOM 765 O TYR A 72 -5.924 -1.460 0.058 1.00 0.00 O ATOM 766 CB TYR A 72 -7.243 -4.470 -0.794 1.00 0.00 C ATOM 767 CG TYR A 72 -5.803 -4.742 -1.181 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.426 -4.829 -2.515 1.00 0.00 C ATOM 769 CD2 TYR A 72 -4.822 -4.912 -0.209 1.00 0.00 C ATOM 770 CE1 TYR A 72 -4.114 -5.079 -2.870 1.00 0.00 C ATOM 771 CE2 TYR A 72 -3.509 -5.159 -0.558 1.00 0.00 C ATOM 772 CZ TYR A 72 -3.161 -5.240 -1.889 1.00 0.00 C ATOM 773 OH TYR A 72 -1.851 -5.479 -2.238 1.00 0.00 O ATOM 0 H TYR A 72 -6.470 -2.062 -2.193 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.667 -2.919 -0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.440 -4.938 0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.897 -4.951 -1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.170 -4.699 -3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.092 -4.850 0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.837 -5.148 -3.912 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.759 -5.288 0.208 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.307 -5.567 -1.427 1.00 0.00 H new ATOM 783 N HIS A 73 -7.075 -2.588 1.615 1.00 0.00 N ATOM 784 CA HIS A 73 -6.354 -2.000 2.732 1.00 0.00 C ATOM 785 C HIS A 73 -6.241 -3.007 3.865 1.00 0.00 C ATOM 786 O HIS A 73 -7.245 -3.383 4.462 1.00 0.00 O ATOM 787 CB HIS A 73 -7.070 -0.732 3.216 1.00 0.00 C ATOM 788 CG HIS A 73 -6.434 -0.095 4.414 1.00 0.00 C ATOM 789 ND1 HIS A 73 -5.384 0.793 4.326 1.00 0.00 N ATOM 790 CD2 HIS A 73 -6.702 -0.229 5.735 1.00 0.00 C ATOM 791 CE1 HIS A 73 -5.033 1.176 5.540 1.00 0.00 C ATOM 792 NE2 HIS A 73 -5.818 0.571 6.411 1.00 0.00 N ATOM 0 H HIS A 73 -7.805 -3.246 1.886 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.351 -1.728 2.402 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.095 -0.008 2.402 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.104 -0.979 3.454 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -4.947 1.105 3.459 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.469 -0.850 6.174 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.238 1.867 5.779 1.00 0.00 H new ATOM 801 N ILE A 74 -5.027 -3.448 4.151 1.00 0.00 N ATOM 802 CA ILE A 74 -4.804 -4.405 5.222 1.00 0.00 C ATOM 803 C ILE A 74 -5.031 -3.744 6.577 1.00 0.00 C ATOM 804 O ILE A 74 -4.469 -2.684 6.863 1.00 0.00 O ATOM 805 CB ILE A 74 -3.380 -4.998 5.168 1.00 0.00 C ATOM 806 CG1 ILE A 74 -3.106 -5.604 3.788 1.00 0.00 C ATOM 807 CG2 ILE A 74 -3.204 -6.050 6.252 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.695 -6.129 3.624 1.00 0.00 C ATOM 0 H ILE A 74 -4.182 -3.159 3.658 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.517 -5.218 5.088 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.663 -4.196 5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.810 -6.417 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.294 -4.849 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.195 -6.459 6.201 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.363 -5.595 7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.928 -6.851 6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.575 -6.543 2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.985 -5.315 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.508 -6.908 4.363 1.00 0.00 H new ATOM 820 N ILE A 75 -5.879 -4.353 7.394 1.00 0.00 N ATOM 821 CA ILE A 75 -6.163 -3.830 8.723 1.00 0.00 C ATOM 822 C ILE A 75 -5.662 -4.778 9.801 1.00 0.00 C ATOM 823 O ILE A 75 -5.379 -4.363 10.927 1.00 0.00 O ATOM 824 CB ILE A 75 -7.672 -3.578 8.936 1.00 0.00 C ATOM 825 CG1 ILE A 75 -8.481 -4.847 8.648 1.00 0.00 C ATOM 826 CG2 ILE A 75 -8.145 -2.425 8.064 1.00 0.00 C ATOM 827 CD1 ILE A 75 -9.957 -4.714 8.955 1.00 0.00 C ATOM 0 H ILE A 75 -6.382 -5.209 7.160 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.638 -2.878 8.799 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.832 -3.307 9.980 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.361 -5.113 7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.070 -5.669 9.234 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.210 -2.260 8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.594 -1.521 8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.970 -2.666 7.016 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.462 -5.652 8.726 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.089 -4.479 10.011 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.384 -3.914 8.350 1.00 0.00 H new ATOM 839 N ALA A 76 -5.548 -6.055 9.458 1.00 0.00 N ATOM 840 CA ALA A 76 -5.110 -7.054 10.413 1.00 0.00 C ATOM 841 C ALA A 76 -4.387 -8.204 9.727 1.00 0.00 C ATOM 842 O ALA A 76 -4.969 -9.257 9.467 1.00 0.00 O ATOM 843 CB ALA A 76 -6.288 -7.571 11.229 1.00 0.00 C ATOM 0 H ALA A 76 -5.753 -6.418 8.527 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.402 -6.575 11.090 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.938 -8.320 11.940 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.747 -6.744 11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.024 -8.020 10.562 1.00 0.00 H new ATOM 849 N ALA A 77 -3.130 -7.977 9.387 1.00 0.00 N ATOM 850 CA ALA A 77 -2.267 -9.047 8.925 1.00 0.00 C ATOM 851 C ALA A 77 -1.544 -9.641 10.121 1.00 0.00 C ATOM 852 O ALA A 77 -0.498 -9.141 10.542 1.00 0.00 O ATOM 853 CB ALA A 77 -1.273 -8.545 7.889 1.00 0.00 C ATOM 0 H ALA A 77 -2.685 -7.060 9.423 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.873 -9.814 8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.640 -9.370 7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.813 -8.140 7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.652 -7.764 8.329 1.00 0.00 H new ATOM 859 N ARG A 78 -2.123 -10.682 10.692 1.00 0.00 N ATOM 860 CA ARG A 78 -1.596 -11.264 11.913 1.00 0.00 C ATOM 861 C ARG A 78 -1.334 -12.751 11.734 1.00 0.00 C ATOM 862 O ARG A 78 -2.093 -13.459 11.074 1.00 0.00 O ATOM 863 CB ARG A 78 -2.549 -10.998 13.090 1.00 0.00 C ATOM 864 CG ARG A 78 -3.983 -11.465 12.870 1.00 0.00 C ATOM 865 CD ARG A 78 -4.235 -12.836 13.481 1.00 0.00 C ATOM 866 NE ARG A 78 -5.621 -13.266 13.293 1.00 0.00 N ATOM 867 CZ ARG A 78 -6.416 -13.688 14.276 1.00 0.00 C ATOM 868 NH1 ARG A 78 -5.968 -13.755 15.522 1.00 0.00 N ATOM 869 NH2 ARG A 78 -7.663 -14.052 14.007 1.00 0.00 N ATOM 0 H ARG A 78 -2.958 -11.142 10.330 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.642 -10.788 12.141 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.153 -11.491 13.978 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.558 -9.928 13.297 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.671 -10.741 13.307 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.193 -11.500 11.801 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.563 -13.565 13.028 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.004 -12.808 14.546 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.004 -13.241 12.348 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.008 -13.482 15.734 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.583 -14.079 16.268 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.012 -14.009 13.049 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.273 -14.375 14.758 1.00 0.00 H new ATOM 883 N GLU A 79 -0.248 -13.211 12.320 1.00 0.00 N ATOM 884 CA GLU A 79 0.163 -14.593 12.188 1.00 0.00 C ATOM 885 C GLU A 79 -0.412 -15.405 13.341 1.00 0.00 C ATOM 886 O GLU A 79 -0.297 -15.016 14.505 1.00 0.00 O ATOM 887 CB GLU A 79 1.690 -14.667 12.161 1.00 0.00 C ATOM 888 CG GLU A 79 2.248 -15.942 11.553 1.00 0.00 C ATOM 889 CD GLU A 79 3.735 -15.835 11.283 1.00 0.00 C ATOM 890 OE1 GLU A 79 4.533 -16.131 12.197 1.00 0.00 O ATOM 891 OE2 GLU A 79 4.118 -15.425 10.165 1.00 0.00 O ATOM 0 H GLU A 79 0.371 -12.642 12.897 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.216 -15.012 11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.073 -13.814 11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.064 -14.572 13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.061 -16.778 12.227 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.725 -16.160 10.622 1.00 0.00 H new ATOM 898 N HIS A 80 -1.060 -16.510 13.013 1.00 0.00 N ATOM 899 CA HIS A 80 -1.726 -17.337 14.007 1.00 0.00 C ATOM 900 C HIS A 80 -1.075 -18.717 14.047 1.00 0.00 C ATOM 901 O HIS A 80 -1.655 -19.711 13.605 1.00 0.00 O ATOM 902 CB HIS A 80 -3.225 -17.434 13.680 1.00 0.00 C ATOM 903 CG HIS A 80 -4.041 -18.190 14.685 1.00 0.00 C ATOM 904 ND1 HIS A 80 -5.102 -18.997 14.334 1.00 0.00 N ATOM 905 CD2 HIS A 80 -3.960 -18.246 16.037 1.00 0.00 C ATOM 906 CE1 HIS A 80 -5.637 -19.516 15.422 1.00 0.00 C ATOM 907 NE2 HIS A 80 -4.963 -19.077 16.467 1.00 0.00 N ATOM 0 H HIS A 80 -1.140 -16.858 12.058 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.623 -16.885 14.994 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.629 -16.426 13.590 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.340 -17.911 12.707 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.241 -17.733 16.659 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.483 -20.186 15.452 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.157 -19.317 17.439 1.00 0.00 H new ATOM 916 N GLY A 81 0.148 -18.761 14.553 1.00 0.00 N ATOM 917 CA GLY A 81 0.902 -19.995 14.555 1.00 0.00 C ATOM 918 C GLY A 81 1.401 -20.328 13.168 1.00 0.00 C ATOM 919 O GLY A 81 2.023 -19.491 12.517 1.00 0.00 O ATOM 0 H GLY A 81 0.632 -17.962 14.963 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.747 -19.908 15.238 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.276 -20.807 14.925 1.00 0.00 H new ATOM 923 N PRO A 82 1.133 -21.545 12.683 1.00 0.00 N ATOM 924 CA PRO A 82 1.443 -21.942 11.312 1.00 0.00 C ATOM 925 C PRO A 82 0.379 -21.444 10.340 1.00 0.00 C ATOM 926 O PRO A 82 0.531 -21.538 9.123 1.00 0.00 O ATOM 927 CB PRO A 82 1.441 -23.478 11.363 1.00 0.00 C ATOM 928 CG PRO A 82 1.172 -23.846 12.790 1.00 0.00 C ATOM 929 CD PRO A 82 0.534 -22.649 13.430 1.00 0.00 C ATOM 0 HA PRO A 82 2.389 -21.526 10.965 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.676 -23.889 10.704 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.398 -23.880 11.031 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.514 -24.713 12.849 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.097 -24.112 13.302 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.552 -22.665 13.333 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.758 -22.589 14.495 1.00 0.00 H new ATOM 937 N ASN A 83 -0.707 -20.921 10.895 1.00 0.00 N ATOM 938 CA ASN A 83 -1.799 -20.388 10.093 1.00 0.00 C ATOM 939 C ASN A 83 -1.616 -18.893 9.912 1.00 0.00 C ATOM 940 O ASN A 83 -1.250 -18.186 10.850 1.00 0.00 O ATOM 941 CB ASN A 83 -3.159 -20.673 10.746 1.00 0.00 C ATOM 942 CG ASN A 83 -3.601 -22.125 10.625 1.00 0.00 C ATOM 943 OD1 ASN A 83 -4.795 -22.417 10.581 1.00 0.00 O ATOM 944 ND2 ASN A 83 -2.647 -23.042 10.571 1.00 0.00 N ATOM 0 H ASN A 83 -0.855 -20.855 11.902 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.782 -20.880 9.121 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.110 -20.404 11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.913 -20.033 10.289 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.892 -24.029 10.490 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.667 -22.761 10.610 1.00 0.00 H new ATOM 951 N PHE A 84 -1.864 -18.414 8.712 1.00 0.00 N ATOM 952 CA PHE A 84 -1.683 -17.009 8.414 1.00 0.00 C ATOM 953 C PHE A 84 -3.029 -16.345 8.174 1.00 0.00 C ATOM 954 O PHE A 84 -3.811 -16.798 7.339 1.00 0.00 O ATOM 955 CB PHE A 84 -0.775 -16.840 7.195 1.00 0.00 C ATOM 956 CG PHE A 84 -0.392 -15.417 6.928 1.00 0.00 C ATOM 957 CD1 PHE A 84 0.480 -14.750 7.774 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.902 -14.746 5.830 1.00 0.00 C ATOM 959 CE1 PHE A 84 0.835 -13.438 7.529 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.551 -13.436 5.582 1.00 0.00 C ATOM 961 CZ PHE A 84 0.320 -12.780 6.431 1.00 0.00 C ATOM 0 H PHE A 84 -2.192 -18.976 7.927 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.208 -16.527 9.268 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.130 -17.430 7.341 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.280 -17.243 6.317 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.886 -15.262 8.634 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.581 -15.253 5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.515 -12.928 8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.957 -12.922 4.723 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.597 -11.755 6.235 1.00 0.00 H new ATOM 971 N GLU A 85 -3.294 -15.278 8.918 1.00 0.00 N ATOM 972 CA GLU A 85 -4.546 -14.548 8.800 1.00 0.00 C ATOM 973 C GLU A 85 -4.294 -13.157 8.227 1.00 0.00 C ATOM 974 O GLU A 85 -3.742 -12.289 8.906 1.00 0.00 O ATOM 975 CB GLU A 85 -5.212 -14.412 10.170 1.00 0.00 C ATOM 976 CG GLU A 85 -5.559 -15.734 10.839 1.00 0.00 C ATOM 977 CD GLU A 85 -6.686 -16.469 10.145 1.00 0.00 C ATOM 978 OE1 GLU A 85 -7.756 -15.855 9.918 1.00 0.00 O ATOM 979 OE2 GLU A 85 -6.515 -17.661 9.837 1.00 0.00 O ATOM 0 H GLU A 85 -2.652 -14.898 9.614 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.203 -15.103 8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.549 -13.850 10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.124 -13.825 10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.674 -16.370 10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.838 -15.548 11.876 1.00 0.00 H new ATOM 986 N ALA A 86 -4.684 -12.946 6.984 1.00 0.00 N ATOM 987 CA ALA A 86 -4.541 -11.638 6.366 1.00 0.00 C ATOM 988 C ALA A 86 -5.902 -10.987 6.173 1.00 0.00 C ATOM 989 O ALA A 86 -6.647 -11.346 5.264 1.00 0.00 O ATOM 990 CB ALA A 86 -3.815 -11.756 5.036 1.00 0.00 C ATOM 0 H ALA A 86 -5.100 -13.658 6.384 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.949 -11.007 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.716 -10.768 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.825 -12.181 5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.383 -12.403 4.368 1.00 0.00 H new ATOM 996 N VAL A 87 -6.226 -10.034 7.034 1.00 0.00 N ATOM 997 CA VAL A 87 -7.502 -9.339 6.955 1.00 0.00 C ATOM 998 C VAL A 87 -7.324 -7.967 6.314 1.00 0.00 C ATOM 999 O VAL A 87 -6.567 -7.128 6.810 1.00 0.00 O ATOM 1000 CB VAL A 87 -8.146 -9.171 8.348 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -9.532 -8.556 8.233 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -8.209 -10.505 9.078 1.00 0.00 C ATOM 0 H VAL A 87 -5.623 -9.724 7.796 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.164 -9.948 6.340 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.521 -8.493 8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.966 -8.448 9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.457 -7.576 7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.168 -9.203 7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.666 -10.363 10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.805 -11.209 8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.201 -10.900 9.202 1.00 0.00 H new ATOM 1012 N ALA A 88 -8.027 -7.747 5.215 1.00 0.00 N ATOM 1013 CA ALA A 88 -7.939 -6.496 4.482 1.00 0.00 C ATOM 1014 C ALA A 88 -9.327 -6.036 4.059 1.00 0.00 C ATOM 1015 O ALA A 88 -10.244 -6.840 3.944 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.039 -6.658 3.266 1.00 0.00 C ATOM 0 H ALA A 88 -8.671 -8.426 4.808 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.505 -5.738 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.983 -5.713 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.040 -6.952 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.449 -7.426 2.610 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.479 -4.746 3.832 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.758 -4.198 3.412 1.00 0.00 C ATOM 1024 C GLU A 89 -10.750 -3.928 1.915 1.00 0.00 C ATOM 1025 O GLU A 89 -9.690 -3.762 1.315 1.00 0.00 O ATOM 1026 CB GLU A 89 -11.053 -2.906 4.167 1.00 0.00 C ATOM 1027 CG GLU A 89 -10.946 -3.041 5.674 1.00 0.00 C ATOM 1028 CD GLU A 89 -11.336 -1.770 6.394 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -10.665 -0.736 6.195 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -12.327 -1.802 7.156 1.00 0.00 O ATOM 0 H GLU A 89 -8.734 -4.056 3.931 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.537 -4.927 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.362 -2.133 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.057 -2.568 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.586 -3.857 6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.923 -3.308 5.941 1.00 0.00 H new ATOM 1037 N VAL A 90 -11.932 -3.887 1.324 1.00 0.00 N ATOM 1038 CA VAL A 90 -12.072 -3.639 -0.103 1.00 0.00 C ATOM 1039 C VAL A 90 -12.527 -2.206 -0.347 1.00 0.00 C ATOM 1040 O VAL A 90 -13.538 -1.770 0.202 1.00 0.00 O ATOM 1041 CB VAL A 90 -13.092 -4.606 -0.743 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.221 -4.352 -2.240 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.702 -6.051 -0.473 1.00 0.00 C ATOM 0 H VAL A 90 -12.816 -4.023 1.814 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.097 -3.802 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.065 -4.422 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.945 -5.046 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.557 -3.329 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.253 -4.499 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.433 -6.717 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.717 -6.247 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.677 -6.226 0.603 1.00 0.00 H new ATOM 1053 N TYR A 91 -11.778 -1.478 -1.159 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.124 -0.107 -1.502 1.00 0.00 C ATOM 1055 C TYR A 91 -12.245 0.044 -3.012 1.00 0.00 C ATOM 1056 O TYR A 91 -11.475 -0.549 -3.770 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.088 0.873 -0.939 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.212 1.080 0.556 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -10.698 0.153 1.456 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -11.855 2.199 1.068 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -10.828 0.335 2.819 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -11.984 2.390 2.431 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.471 1.453 3.302 1.00 0.00 C ATOM 1064 OH TYR A 91 -11.605 1.632 4.662 1.00 0.00 O ATOM 0 H TYR A 91 -10.921 -1.816 -1.596 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.088 0.129 -1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.088 0.504 -1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -11.195 1.834 -1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -10.189 -0.723 1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -12.262 2.934 0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -10.427 -0.397 3.504 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.484 3.269 2.811 1.00 0.00 H new ATOM 0 HH TYR A 91 -11.286 0.832 5.130 1.00 0.00 H new ATOM 1074 N ASN A 92 -13.226 0.814 -3.445 1.00 0.00 N ATOM 1075 CA ASN A 92 -13.487 0.977 -4.865 1.00 0.00 C ATOM 1076 C ASN A 92 -13.714 2.451 -5.208 1.00 0.00 C ATOM 1077 O ASN A 92 -13.576 3.325 -4.345 1.00 0.00 O ATOM 1078 CB ASN A 92 -14.701 0.126 -5.253 1.00 0.00 C ATOM 1079 CG ASN A 92 -14.807 -0.116 -6.745 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -13.813 -0.076 -7.465 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -16.012 -0.396 -7.206 1.00 0.00 N ATOM 0 H ASN A 92 -13.855 1.336 -2.835 1.00 0.00 H new ATOM 0 HA ASN A 92 -12.621 0.640 -5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.643 -0.833 -4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.609 0.620 -4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.146 -0.590 -8.198 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.809 -0.418 -6.570 1.00 0.00 H new ATOM 1088 N ASP A 93 -14.044 2.715 -6.471 1.00 0.00 N ATOM 1089 CA ASP A 93 -14.266 4.072 -6.967 1.00 0.00 C ATOM 1090 C ASP A 93 -15.422 4.748 -6.224 1.00 0.00 C ATOM 1091 O ASP A 93 -16.273 4.077 -5.637 1.00 0.00 O ATOM 1092 CB ASP A 93 -14.560 4.026 -8.474 1.00 0.00 C ATOM 1093 CG ASP A 93 -14.599 5.399 -9.118 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -15.681 6.022 -9.144 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -13.548 5.859 -9.610 1.00 0.00 O ATOM 0 H ASP A 93 -14.165 1.992 -7.181 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.365 4.659 -6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.799 3.422 -8.968 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.516 3.529 -8.636 1.00 0.00 H new ATOM 1100 N ALA A 94 -15.446 6.075 -6.263 1.00 0.00 N ATOM 1101 CA ALA A 94 -16.457 6.851 -5.555 1.00 0.00 C ATOM 1102 C ALA A 94 -17.820 6.730 -6.229 1.00 0.00 C ATOM 1103 O ALA A 94 -18.860 6.913 -5.592 1.00 0.00 O ATOM 1104 CB ALA A 94 -16.033 8.310 -5.471 1.00 0.00 C ATOM 0 H ALA A 94 -14.772 6.639 -6.781 1.00 0.00 H new ATOM 0 HA ALA A 94 -16.548 6.449 -4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -16.795 8.880 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.086 8.384 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.913 8.713 -6.477 1.00 0.00 H new ATOM 1290 N ALA B 22 7.175 -0.585 -7.715 1.00 0.00 N ATOM 1291 CA ALA B 22 7.242 -0.563 -6.236 1.00 0.00 C ATOM 1292 C ALA B 22 5.842 -0.484 -5.637 1.00 0.00 C ATOM 1293 O ALA B 22 4.985 0.251 -6.131 1.00 0.00 O ATOM 1294 CB ALA B 22 8.090 0.607 -5.761 1.00 0.00 C ATOM 0 HA ALA B 22 7.708 -1.489 -5.899 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.129 0.609 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA B 22 9.100 0.510 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA B 22 7.650 1.541 -6.110 1.00 0.00 H new ATOM 1302 N GLU B 23 5.615 -1.242 -4.569 1.00 0.00 N ATOM 1303 CA GLU B 23 4.289 -1.337 -3.974 1.00 0.00 C ATOM 1304 C GLU B 23 4.206 -0.582 -2.648 1.00 0.00 C ATOM 1305 O GLU B 23 5.192 -0.465 -1.919 1.00 0.00 O ATOM 1306 CB GLU B 23 3.892 -2.804 -3.752 1.00 0.00 C ATOM 1307 CG GLU B 23 3.662 -3.602 -5.033 1.00 0.00 C ATOM 1308 CD GLU B 23 4.949 -4.034 -5.713 1.00 0.00 C ATOM 1309 OE1 GLU B 23 5.513 -5.077 -5.321 1.00 0.00 O ATOM 1310 OE2 GLU B 23 5.401 -3.336 -6.645 1.00 0.00 O ATOM 0 H GLU B 23 6.330 -1.797 -4.100 1.00 0.00 H new ATOM 0 HA GLU B 23 3.594 -0.877 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU B 23 4.673 -3.294 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU B 23 2.982 -2.834 -3.153 1.00 0.00 H new ATOM 0 HG2 GLU B 23 3.068 -4.486 -4.800 1.00 0.00 H new ATOM 0 HG3 GLU B 23 3.077 -2.999 -5.728 1.00 0.00 H new ATOM 1317 N GLN B 24 3.013 -0.062 -2.358 1.00 0.00 N ATOM 1318 CA GLN B 24 2.722 0.584 -1.078 1.00 0.00 C ATOM 1319 C GLN B 24 2.549 -0.475 0.007 1.00 0.00 C ATOM 1320 O GLN B 24 1.663 -1.329 -0.096 1.00 0.00 O ATOM 1321 CB GLN B 24 1.432 1.410 -1.194 1.00 0.00 C ATOM 1322 CG GLN B 24 0.974 2.047 0.113 1.00 0.00 C ATOM 1323 CD GLN B 24 1.599 3.405 0.365 1.00 0.00 C ATOM 1324 OE1 GLN B 24 2.673 3.516 0.959 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.910 4.451 -0.057 1.00 0.00 N ATOM 0 H GLN B 24 2.223 -0.077 -3.003 1.00 0.00 H new ATOM 0 HA GLN B 24 3.551 1.241 -0.815 1.00 0.00 H new ATOM 0 HB2 GLN B 24 1.583 2.196 -1.934 1.00 0.00 H new ATOM 0 HB3 GLN B 24 0.636 0.767 -1.570 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -0.111 2.150 0.099 1.00 0.00 H new ATOM 0 HG3 GLN B 24 1.220 1.381 0.940 1.00 0.00 H new ATOM 0 HE21 GLN B 24 0.025 4.315 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN B 24 1.264 5.394 0.105 1.00 0.00 H new ATOM 1334 N VAL B 25 3.388 -0.431 1.031 1.00 0.00 N ATOM 1335 CA VAL B 25 3.317 -1.412 2.109 1.00 0.00 C ATOM 1336 C VAL B 25 2.809 -0.798 3.410 1.00 0.00 C ATOM 1337 O VAL B 25 3.073 0.372 3.717 1.00 0.00 O ATOM 1338 CB VAL B 25 4.680 -2.091 2.363 1.00 0.00 C ATOM 1339 CG1 VAL B 25 5.010 -3.056 1.238 1.00 0.00 C ATOM 1340 CG2 VAL B 25 5.784 -1.055 2.520 1.00 0.00 C ATOM 0 H VAL B 25 4.123 0.268 1.140 1.00 0.00 H new ATOM 0 HA VAL B 25 2.605 -2.168 1.778 1.00 0.00 H new ATOM 0 HB VAL B 25 4.611 -2.654 3.294 1.00 0.00 H new ATOM 0 HG11 VAL B 25 5.974 -3.526 1.433 1.00 0.00 H new ATOM 0 HG12 VAL B 25 4.238 -3.823 1.178 1.00 0.00 H new ATOM 0 HG13 VAL B 25 5.055 -2.513 0.294 1.00 0.00 H new ATOM 0 HG21 VAL B 25 6.734 -1.559 2.698 1.00 0.00 H new ATOM 0 HG22 VAL B 25 5.855 -0.458 1.611 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.555 -0.404 3.364 1.00 0.00 H new ATOM 1350 N SER B 26 2.068 -1.595 4.164 1.00 0.00 N ATOM 1351 CA SER B 26 1.532 -1.176 5.446 1.00 0.00 C ATOM 1352 C SER B 26 2.507 -1.516 6.572 1.00 0.00 C ATOM 1353 O SER B 26 3.465 -2.266 6.368 1.00 0.00 O ATOM 1354 CB SER B 26 0.185 -1.862 5.690 1.00 0.00 C ATOM 1355 OG SER B 26 0.323 -3.272 5.657 1.00 0.00 O ATOM 0 H SER B 26 1.822 -2.550 3.903 1.00 0.00 H new ATOM 0 HA SER B 26 1.388 -0.096 5.431 1.00 0.00 H new ATOM 0 HB2 SER B 26 -0.215 -1.554 6.656 1.00 0.00 H new ATOM 0 HB3 SER B 26 -0.532 -1.545 4.933 1.00 0.00 H new ATOM 0 HG SER B 26 0.477 -3.564 4.734 1.00 0.00 H new ATOM 1361 N LYS B 27 2.252 -0.970 7.760 1.00 0.00 N ATOM 1362 CA LYS B 27 3.103 -1.212 8.926 1.00 0.00 C ATOM 1363 C LYS B 27 3.246 -2.705 9.210 1.00 0.00 C ATOM 1364 O LYS B 27 4.324 -3.179 9.567 1.00 0.00 O ATOM 1365 CB LYS B 27 2.523 -0.516 10.161 1.00 0.00 C ATOM 1366 CG LYS B 27 2.564 1.002 10.098 1.00 0.00 C ATOM 1367 CD LYS B 27 3.984 1.533 10.205 1.00 0.00 C ATOM 1368 CE LYS B 27 4.011 3.053 10.268 1.00 0.00 C ATOM 1369 NZ LYS B 27 3.185 3.582 11.387 1.00 0.00 N ATOM 0 H LYS B 27 1.459 -0.354 7.942 1.00 0.00 H new ATOM 0 HA LYS B 27 4.089 -0.804 8.703 1.00 0.00 H new ATOM 0 HB2 LYS B 27 1.489 -0.835 10.292 1.00 0.00 H new ATOM 0 HB3 LYS B 27 3.073 -0.847 11.042 1.00 0.00 H new ATOM 0 HG2 LYS B 27 2.119 1.339 9.162 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.959 1.416 10.905 1.00 0.00 H new ATOM 0 HD2 LYS B 27 4.460 1.123 11.096 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.565 1.194 9.348 1.00 0.00 H new ATOM 0 HE2 LYS B 27 5.040 3.392 10.386 1.00 0.00 H new ATOM 0 HE3 LYS B 27 3.647 3.461 9.325 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 3.473 4.559 11.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 2.181 3.568 11.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 3.323 2.989 12.230 1.00 0.00 H new ATOM 1383 N GLN B 28 2.156 -3.438 9.027 1.00 0.00 N ATOM 1384 CA GLN B 28 2.128 -4.863 9.329 1.00 0.00 C ATOM 1385 C GLN B 28 2.990 -5.651 8.346 1.00 0.00 C ATOM 1386 O GLN B 28 3.576 -6.671 8.706 1.00 0.00 O ATOM 1387 CB GLN B 28 0.684 -5.367 9.318 1.00 0.00 C ATOM 1388 CG GLN B 28 -0.176 -4.725 10.397 1.00 0.00 C ATOM 1389 CD GLN B 28 -1.640 -5.109 10.303 1.00 0.00 C ATOM 1390 OE1 GLN B 28 -2.160 -5.365 9.221 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -2.311 -5.164 11.441 1.00 0.00 N ATOM 0 H GLN B 28 1.276 -3.067 8.669 1.00 0.00 H new ATOM 0 HA GLN B 28 2.546 -5.016 10.324 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.242 -5.167 8.342 1.00 0.00 H new ATOM 0 HB3 GLN B 28 0.681 -6.448 9.454 1.00 0.00 H new ATOM 0 HG2 GLN B 28 0.206 -5.013 11.376 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -0.086 -3.641 10.326 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -1.843 -4.944 12.320 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -3.297 -5.427 11.440 1.00 0.00 H new ATOM 1400 N GLU B 29 3.088 -5.162 7.116 1.00 0.00 N ATOM 1401 CA GLU B 29 3.931 -5.796 6.109 1.00 0.00 C ATOM 1402 C GLU B 29 5.399 -5.503 6.396 1.00 0.00 C ATOM 1403 O GLU B 29 6.237 -6.408 6.409 1.00 0.00 O ATOM 1404 CB GLU B 29 3.563 -5.297 4.711 1.00 0.00 C ATOM 1405 CG GLU B 29 2.159 -5.679 4.277 1.00 0.00 C ATOM 1406 CD GLU B 29 1.746 -4.996 2.991 1.00 0.00 C ATOM 1407 OE1 GLU B 29 2.001 -5.553 1.902 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.166 -3.889 3.069 1.00 0.00 O ATOM 0 H GLU B 29 2.595 -4.330 6.792 1.00 0.00 H new ATOM 0 HA GLU B 29 3.768 -6.873 6.149 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.659 -4.212 4.685 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.278 -5.697 3.992 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.104 -6.760 4.145 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.454 -5.418 5.066 1.00 0.00 H new ATOM 1415 N ILE B 30 5.690 -4.230 6.649 1.00 0.00 N ATOM 1416 CA ILE B 30 7.051 -3.781 6.930 1.00 0.00 C ATOM 1417 C ILE B 30 7.637 -4.518 8.131 1.00 0.00 C ATOM 1418 O ILE B 30 8.769 -4.999 8.089 1.00 0.00 O ATOM 1419 CB ILE B 30 7.092 -2.262 7.211 1.00 0.00 C ATOM 1420 CG1 ILE B 30 6.461 -1.486 6.054 1.00 0.00 C ATOM 1421 CG2 ILE B 30 8.526 -1.798 7.438 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.264 -0.014 6.346 1.00 0.00 C ATOM 0 H ILE B 30 4.994 -3.484 6.665 1.00 0.00 H new ATOM 0 HA ILE B 30 7.646 -4.001 6.044 1.00 0.00 H new ATOM 0 HB ILE B 30 6.517 -2.066 8.116 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.091 -1.591 5.171 1.00 0.00 H new ATOM 0 HG13 ILE B 30 5.496 -1.932 5.812 1.00 0.00 H new ATOM 0 HG21 ILE B 30 8.535 -0.726 7.634 1.00 0.00 H new ATOM 0 HG22 ILE B 30 8.949 -2.327 8.292 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.122 -2.009 6.550 1.00 0.00 H new ATOM 0 HD11 ILE B 30 5.812 0.471 5.481 1.00 0.00 H new ATOM 0 HD12 ILE B 30 5.609 0.101 7.210 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.229 0.447 6.558 1.00 0.00 H new ATOM 1434 N SER B 31 6.850 -4.616 9.193 1.00 0.00 N ATOM 1435 CA SER B 31 7.309 -5.214 10.437 1.00 0.00 C ATOM 1436 C SER B 31 7.440 -6.734 10.315 1.00 0.00 C ATOM 1437 O SER B 31 8.387 -7.322 10.835 1.00 0.00 O ATOM 1438 CB SER B 31 6.344 -4.855 11.573 1.00 0.00 C ATOM 1439 OG SER B 31 6.797 -5.358 12.819 1.00 0.00 O ATOM 0 H SER B 31 5.885 -4.287 9.217 1.00 0.00 H new ATOM 0 HA SER B 31 8.298 -4.814 10.660 1.00 0.00 H new ATOM 0 HB2 SER B 31 6.239 -3.772 11.633 1.00 0.00 H new ATOM 0 HB3 SER B 31 5.356 -5.260 11.354 1.00 0.00 H new ATOM 0 HG SER B 31 6.161 -5.111 13.522 1.00 0.00 H new ATOM 1445 N HIS B 32 6.503 -7.362 9.613 1.00 0.00 N ATOM 1446 CA HIS B 32 6.448 -8.820 9.557 1.00 0.00 C ATOM 1447 C HIS B 32 7.592 -9.385 8.719 1.00 0.00 C ATOM 1448 O HIS B 32 8.192 -10.399 9.079 1.00 0.00 O ATOM 1449 CB HIS B 32 5.105 -9.284 8.987 1.00 0.00 C ATOM 1450 CG HIS B 32 4.702 -10.660 9.424 1.00 0.00 C ATOM 1451 ND1 HIS B 32 3.714 -10.884 10.359 1.00 0.00 N ATOM 1452 CD2 HIS B 32 5.141 -11.886 9.045 1.00 0.00 C ATOM 1453 CE1 HIS B 32 3.562 -12.180 10.536 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.413 -12.811 9.752 1.00 0.00 N ATOM 0 H HIS B 32 5.775 -6.889 9.078 1.00 0.00 H new ATOM 0 HA HIS B 32 6.552 -9.195 10.575 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.331 -8.577 9.286 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.156 -9.259 7.898 1.00 0.00 H new ATOM 0 HD2 HIS B 32 5.917 -12.095 8.323 1.00 0.00 H new ATOM 0 HE1 HIS B 32 2.859 -12.647 11.210 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.514 -13.824 9.682 1.00 0.00 H new ATOM 1463 N PHE B 33 7.888 -8.731 7.603 1.00 0.00 N ATOM 1464 CA PHE B 33 8.939 -9.201 6.706 1.00 0.00 C ATOM 1465 C PHE B 33 10.268 -8.524 7.018 1.00 0.00 C ATOM 1466 O PHE B 33 11.313 -8.941 6.518 1.00 0.00 O ATOM 1467 CB PHE B 33 8.549 -8.952 5.247 1.00 0.00 C ATOM 1468 CG PHE B 33 7.349 -9.743 4.801 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.485 -11.062 4.395 1.00 0.00 C ATOM 1470 CD2 PHE B 33 6.088 -9.169 4.788 1.00 0.00 C ATOM 1471 CE1 PHE B 33 6.386 -11.793 3.986 1.00 0.00 C ATOM 1472 CE2 PHE B 33 4.985 -9.895 4.379 1.00 0.00 C ATOM 1473 CZ PHE B 33 5.135 -11.208 3.977 1.00 0.00 C ATOM 0 H PHE B 33 7.419 -7.878 7.297 1.00 0.00 H new ATOM 0 HA PHE B 33 9.058 -10.273 6.861 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.345 -7.890 5.110 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.395 -9.199 4.606 1.00 0.00 H new ATOM 0 HD1 PHE B 33 8.461 -11.523 4.399 1.00 0.00 H new ATOM 0 HD2 PHE B 33 5.965 -8.143 5.101 1.00 0.00 H new ATOM 0 HE1 PHE B 33 6.505 -12.820 3.674 1.00 0.00 H new ATOM 0 HE2 PHE B 33 4.007 -9.436 4.374 1.00 0.00 H new ATOM 0 HZ PHE B 33 4.275 -11.777 3.656 1.00 0.00 H new ATOM 1483 N LYS B 34 10.212 -7.488 7.854 1.00 0.00 N ATOM 1484 CA LYS B 34 11.392 -6.714 8.238 1.00 0.00 C ATOM 1485 C LYS B 34 12.043 -6.059 7.024 1.00 0.00 C ATOM 1486 O LYS B 34 13.100 -6.489 6.557 1.00 0.00 O ATOM 1487 CB LYS B 34 12.409 -7.578 8.990 1.00 0.00 C ATOM 1488 CG LYS B 34 11.969 -7.956 10.395 1.00 0.00 C ATOM 1489 CD LYS B 34 11.777 -6.722 11.262 1.00 0.00 C ATOM 1490 CE LYS B 34 11.469 -7.092 12.703 1.00 0.00 C ATOM 1491 NZ LYS B 34 11.346 -5.890 13.570 1.00 0.00 N ATOM 0 H LYS B 34 9.347 -7.161 8.284 1.00 0.00 H new ATOM 0 HA LYS B 34 11.055 -5.926 8.912 1.00 0.00 H new ATOM 0 HB2 LYS B 34 12.592 -8.488 8.419 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.356 -7.042 9.047 1.00 0.00 H new ATOM 0 HG2 LYS B 34 11.037 -8.519 10.348 1.00 0.00 H new ATOM 0 HG3 LYS B 34 12.714 -8.610 10.849 1.00 0.00 H new ATOM 0 HD2 LYS B 34 12.678 -6.109 11.228 1.00 0.00 H new ATOM 0 HD3 LYS B 34 10.964 -6.117 10.860 1.00 0.00 H new ATOM 0 HE2 LYS B 34 10.542 -7.663 12.741 1.00 0.00 H new ATOM 0 HE3 LYS B 34 12.258 -7.738 13.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 11.136 -6.185 14.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 12.239 -5.358 13.554 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 10.577 -5.285 13.218 1.00 0.00 H new ATOM 1505 N LEU B 35 11.395 -5.021 6.516 1.00 0.00 N ATOM 1506 CA LEU B 35 11.898 -4.302 5.358 1.00 0.00 C ATOM 1507 C LEU B 35 12.971 -3.302 5.768 1.00 0.00 C ATOM 1508 O LEU B 35 12.864 -2.643 6.803 1.00 0.00 O ATOM 1509 CB LEU B 35 10.754 -3.594 4.631 1.00 0.00 C ATOM 1510 CG LEU B 35 9.718 -4.529 4.002 1.00 0.00 C ATOM 1511 CD1 LEU B 35 8.596 -3.729 3.360 1.00 0.00 C ATOM 1512 CD2 LEU B 35 10.378 -5.441 2.977 1.00 0.00 C ATOM 0 H LEU B 35 10.518 -4.658 6.890 1.00 0.00 H new ATOM 0 HA LEU B 35 12.348 -5.023 4.676 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.247 -2.934 5.336 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.175 -2.962 3.849 1.00 0.00 H new ATOM 0 HG LEU B 35 9.290 -5.148 4.790 1.00 0.00 H new ATOM 0 HD11 LEU B 35 7.869 -4.411 2.918 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.106 -3.117 4.117 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.007 -3.084 2.583 1.00 0.00 H new ATOM 0 HD21 LEU B 35 9.628 -6.099 2.539 1.00 0.00 H new ATOM 0 HD22 LEU B 35 10.833 -4.837 2.192 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.147 -6.041 3.465 1.00 0.00 H new ATOM 1524 N VAL B 36 14.004 -3.203 4.949 1.00 0.00 N ATOM 1525 CA VAL B 36 15.142 -2.346 5.237 1.00 0.00 C ATOM 1526 C VAL B 36 14.971 -0.983 4.572 1.00 0.00 C ATOM 1527 O VAL B 36 14.592 -0.896 3.403 1.00 0.00 O ATOM 1528 CB VAL B 36 16.452 -3.010 4.755 1.00 0.00 C ATOM 1529 CG1 VAL B 36 17.657 -2.121 5.012 1.00 0.00 C ATOM 1530 CG2 VAL B 36 16.636 -4.360 5.431 1.00 0.00 C ATOM 0 H VAL B 36 14.078 -3.712 4.068 1.00 0.00 H new ATOM 0 HA VAL B 36 15.196 -2.202 6.316 1.00 0.00 H new ATOM 0 HB VAL B 36 16.374 -3.158 3.678 1.00 0.00 H new ATOM 0 HG11 VAL B 36 18.560 -2.621 4.660 1.00 0.00 H new ATOM 0 HG12 VAL B 36 17.534 -1.178 4.480 1.00 0.00 H new ATOM 0 HG13 VAL B 36 17.744 -1.926 6.081 1.00 0.00 H new ATOM 0 HG21 VAL B 36 17.562 -4.818 5.083 1.00 0.00 H new ATOM 0 HG22 VAL B 36 16.682 -4.223 6.511 1.00 0.00 H new ATOM 0 HG23 VAL B 36 15.796 -5.008 5.183 1.00 0.00 H new ATOM 1540 N LYS B 37 15.250 0.073 5.326 1.00 0.00 N ATOM 1541 CA LYS B 37 15.083 1.437 4.842 1.00 0.00 C ATOM 1542 C LYS B 37 16.220 1.823 3.901 1.00 0.00 C ATOM 1543 O LYS B 37 17.383 1.886 4.302 1.00 0.00 O ATOM 1544 CB LYS B 37 15.019 2.407 6.028 1.00 0.00 C ATOM 1545 CG LYS B 37 14.911 3.873 5.634 1.00 0.00 C ATOM 1546 CD LYS B 37 14.875 4.772 6.861 1.00 0.00 C ATOM 1547 CE LYS B 37 14.941 6.245 6.486 1.00 0.00 C ATOM 1548 NZ LYS B 37 13.771 6.674 5.674 1.00 0.00 N ATOM 0 H LYS B 37 15.596 0.009 6.283 1.00 0.00 H new ATOM 0 HA LYS B 37 14.149 1.495 4.284 1.00 0.00 H new ATOM 0 HB2 LYS B 37 14.163 2.146 6.650 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.910 2.272 6.641 1.00 0.00 H new ATOM 0 HG2 LYS B 37 15.758 4.146 5.005 1.00 0.00 H new ATOM 0 HG3 LYS B 37 14.010 4.027 5.041 1.00 0.00 H new ATOM 0 HD2 LYS B 37 13.962 4.581 7.424 1.00 0.00 H new ATOM 0 HD3 LYS B 37 15.711 4.526 7.516 1.00 0.00 H new ATOM 0 HE2 LYS B 37 14.991 6.847 7.393 1.00 0.00 H new ATOM 0 HE3 LYS B 37 15.857 6.435 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 13.893 7.666 5.386 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 13.697 6.074 4.828 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 12.903 6.583 6.240 1.00 0.00 H new ATOM 1562 N VAL B 38 15.877 2.069 2.645 1.00 0.00 N ATOM 1563 CA VAL B 38 16.856 2.477 1.647 1.00 0.00 C ATOM 1564 C VAL B 38 17.004 3.994 1.644 1.00 0.00 C ATOM 1565 O VAL B 38 18.093 4.531 1.438 1.00 0.00 O ATOM 1566 CB VAL B 38 16.453 1.998 0.234 1.00 0.00 C ATOM 1567 CG1 VAL B 38 17.513 2.368 -0.795 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.205 0.499 0.230 1.00 0.00 C ATOM 0 H VAL B 38 14.923 1.993 2.291 1.00 0.00 H new ATOM 0 HA VAL B 38 17.808 2.016 1.910 1.00 0.00 H new ATOM 0 HB VAL B 38 15.528 2.504 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL B 38 17.202 2.018 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL B 38 17.637 3.451 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL B 38 18.460 1.900 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL B 38 15.922 0.180 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.114 -0.021 0.534 1.00 0.00 H new ATOM 0 HG23 VAL B 38 15.401 0.261 0.926 1.00 0.00 H new ATOM 1578 N GLY B 39 15.899 4.683 1.884 1.00 0.00 N ATOM 1579 CA GLY B 39 15.925 6.127 1.916 1.00 0.00 C ATOM 1580 C GLY B 39 14.539 6.722 1.986 1.00 0.00 C ATOM 1581 O GLY B 39 13.589 6.051 2.398 1.00 0.00 O ATOM 0 H GLY B 39 14.984 4.266 2.057 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.505 6.459 2.777 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.434 6.499 1.027 1.00 0.00 H new ATOM 1585 N THR B 40 14.425 7.979 1.591 1.00 0.00 N ATOM 1586 CA THR B 40 13.152 8.680 1.595 1.00 0.00 C ATOM 1587 C THR B 40 13.000 9.476 0.301 1.00 0.00 C ATOM 1588 O THR B 40 13.970 10.045 -0.198 1.00 0.00 O ATOM 1589 CB THR B 40 13.054 9.631 2.809 1.00 0.00 C ATOM 1590 OG1 THR B 40 13.424 8.928 4.005 1.00 0.00 O ATOM 1591 CG2 THR B 40 11.646 10.184 2.966 1.00 0.00 C ATOM 0 H THR B 40 15.209 8.541 1.260 1.00 0.00 H new ATOM 0 HA THR B 40 12.351 7.945 1.668 1.00 0.00 H new ATOM 0 HB THR B 40 13.735 10.465 2.640 1.00 0.00 H new ATOM 0 HG1 THR B 40 13.362 9.534 4.773 1.00 0.00 H new ATOM 0 HG21 THR B 40 11.610 10.849 3.829 1.00 0.00 H new ATOM 0 HG22 THR B 40 11.371 10.738 2.069 1.00 0.00 H new ATOM 0 HG23 THR B 40 10.946 9.361 3.113 1.00 0.00 H new ATOM 1599 N ILE B 41 11.796 9.491 -0.248 1.00 0.00 N ATOM 1600 CA ILE B 41 11.532 10.199 -1.489 1.00 0.00 C ATOM 1601 C ILE B 41 10.457 11.257 -1.290 1.00 0.00 C ATOM 1602 O ILE B 41 9.440 11.016 -0.633 1.00 0.00 O ATOM 1603 CB ILE B 41 11.106 9.240 -2.620 1.00 0.00 C ATOM 1604 CG1 ILE B 41 9.946 8.347 -2.162 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.292 8.402 -3.071 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.414 7.434 -3.242 1.00 0.00 C ATOM 0 H ILE B 41 10.984 9.019 0.149 1.00 0.00 H new ATOM 0 HA ILE B 41 12.465 10.681 -1.782 1.00 0.00 H new ATOM 0 HB ILE B 41 10.760 9.831 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.277 7.741 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.134 8.979 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE B 41 11.979 7.729 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.082 9.057 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.666 7.818 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.596 6.835 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.050 8.032 -4.077 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.211 6.776 -3.587 1.00 0.00 H new ATOM 1618 N ASN B 42 10.692 12.428 -1.856 1.00 0.00 N ATOM 1619 CA ASN B 42 9.772 13.545 -1.725 1.00 0.00 C ATOM 1620 C ASN B 42 9.259 13.983 -3.086 1.00 0.00 C ATOM 1621 O ASN B 42 10.039 14.377 -3.955 1.00 0.00 O ATOM 1622 CB ASN B 42 10.451 14.734 -1.034 1.00 0.00 C ATOM 1623 CG ASN B 42 10.619 14.556 0.465 1.00 0.00 C ATOM 1624 OD1 ASN B 42 10.740 13.442 0.970 1.00 0.00 O ATOM 1625 ND2 ASN B 42 10.635 15.664 1.189 1.00 0.00 N ATOM 0 H ASN B 42 11.520 12.631 -2.416 1.00 0.00 H new ATOM 0 HA ASN B 42 8.933 13.210 -1.116 1.00 0.00 H new ATOM 0 HB2 ASN B 42 11.431 14.893 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN B 42 9.865 15.634 -1.220 1.00 0.00 H new ATOM 0 HD21 ASN B 42 10.751 15.610 2.201 1.00 0.00 H new ATOM 0 HD22 ASN B 42 10.532 16.571 0.735 1.00 0.00 H new ATOM 1632 N VAL B 43 7.955 13.893 -3.278 1.00 0.00 N ATOM 1633 CA VAL B 43 7.315 14.435 -4.465 1.00 0.00 C ATOM 1634 C VAL B 43 6.661 15.765 -4.124 1.00 0.00 C ATOM 1635 O VAL B 43 5.597 15.801 -3.503 1.00 0.00 O ATOM 1636 CB VAL B 43 6.255 13.476 -5.059 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.522 14.132 -6.221 1.00 0.00 C ATOM 1638 CG2 VAL B 43 6.891 12.172 -5.516 1.00 0.00 C ATOM 0 H VAL B 43 7.314 13.446 -2.622 1.00 0.00 H new ATOM 0 HA VAL B 43 8.090 14.570 -5.220 1.00 0.00 H new ATOM 0 HB VAL B 43 5.535 13.252 -4.272 1.00 0.00 H new ATOM 0 HG11 VAL B 43 4.782 13.439 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.022 15.035 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL B 43 6.237 14.392 -7.002 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.123 11.518 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL B 43 7.639 12.381 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.367 11.682 -4.667 1.00 0.00 H new ATOM 1648 N SER B 44 7.316 16.852 -4.488 1.00 0.00 N ATOM 1649 CA SER B 44 6.793 18.179 -4.221 1.00 0.00 C ATOM 1650 C SER B 44 6.301 18.821 -5.511 1.00 0.00 C ATOM 1651 O SER B 44 7.085 19.369 -6.286 1.00 0.00 O ATOM 1652 CB SER B 44 7.865 19.044 -3.555 1.00 0.00 C ATOM 1653 OG SER B 44 9.082 19.011 -4.288 1.00 0.00 O ATOM 0 H SER B 44 8.214 16.842 -4.971 1.00 0.00 H new ATOM 0 HA SER B 44 5.947 18.096 -3.538 1.00 0.00 H new ATOM 0 HB2 SER B 44 7.511 20.072 -3.479 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.040 18.692 -2.538 1.00 0.00 H new ATOM 0 HG SER B 44 8.891 19.116 -5.244 1.00 0.00 H new ATOM 1659 N GLN B 45 5.002 18.741 -5.744 1.00 0.00 N ATOM 1660 CA GLN B 45 4.424 19.231 -6.985 1.00 0.00 C ATOM 1661 C GLN B 45 3.566 20.461 -6.736 1.00 0.00 C ATOM 1662 O GLN B 45 2.923 20.582 -5.693 1.00 0.00 O ATOM 1663 CB GLN B 45 3.594 18.134 -7.658 1.00 0.00 C ATOM 1664 CG GLN B 45 4.429 16.988 -8.217 1.00 0.00 C ATOM 1665 CD GLN B 45 5.258 17.391 -9.426 1.00 0.00 C ATOM 1666 OE1 GLN B 45 5.672 18.541 -9.560 1.00 0.00 O ATOM 1667 NE2 GLN B 45 5.498 16.444 -10.321 1.00 0.00 N ATOM 0 H GLN B 45 4.328 18.342 -5.091 1.00 0.00 H new ATOM 0 HA GLN B 45 5.240 19.512 -7.650 1.00 0.00 H new ATOM 0 HB2 GLN B 45 2.883 17.734 -6.935 1.00 0.00 H new ATOM 0 HB3 GLN B 45 3.012 18.576 -8.467 1.00 0.00 H new ATOM 0 HG2 GLN B 45 5.092 16.615 -7.437 1.00 0.00 H new ATOM 0 HG3 GLN B 45 3.769 16.166 -8.494 1.00 0.00 H new ATOM 0 HE21 GLN B 45 5.138 15.501 -10.175 1.00 0.00 H new ATOM 0 HE22 GLN B 45 6.043 16.658 -11.156 1.00 0.00 H new ATOM 1676 N SER B 46 3.571 21.375 -7.692 1.00 0.00 N ATOM 1677 CA SER B 46 2.786 22.592 -7.585 1.00 0.00 C ATOM 1678 C SER B 46 1.563 22.523 -8.492 1.00 0.00 C ATOM 1679 O SER B 46 1.674 22.615 -9.716 1.00 0.00 O ATOM 1680 CB SER B 46 3.643 23.808 -7.941 1.00 0.00 C ATOM 1681 OG SER B 46 4.770 23.904 -7.086 1.00 0.00 O ATOM 0 H SER B 46 4.112 21.296 -8.553 1.00 0.00 H new ATOM 0 HA SER B 46 2.445 22.693 -6.555 1.00 0.00 H new ATOM 0 HB2 SER B 46 3.973 23.734 -8.977 1.00 0.00 H new ATOM 0 HB3 SER B 46 3.044 24.715 -7.862 1.00 0.00 H new ATOM 0 HG SER B 46 5.303 24.688 -7.334 1.00 0.00 H new ATOM 1687 N GLY B 47 0.403 22.338 -7.883 1.00 0.00 N ATOM 1688 CA GLY B 47 -0.836 22.301 -8.629 1.00 0.00 C ATOM 1689 C GLY B 47 -1.223 20.902 -9.060 1.00 0.00 C ATOM 1690 O GLY B 47 -0.828 19.917 -8.431 1.00 0.00 O ATOM 0 H GLY B 47 0.297 22.212 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -1.635 22.721 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -0.742 22.935 -9.511 1.00 0.00 H new ATOM 1694 N GLY B 48 -1.975 20.816 -10.148 1.00 0.00 N ATOM 1695 CA GLY B 48 -2.493 19.543 -10.599 1.00 0.00 C ATOM 1696 C GLY B 48 -1.513 18.794 -11.473 1.00 0.00 C ATOM 1697 O GLY B 48 -1.766 18.574 -12.658 1.00 0.00 O ATOM 0 H GLY B 48 -2.236 21.612 -10.729 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.745 18.930 -9.734 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -3.417 19.707 -11.153 1.00 0.00 H new ATOM 1701 N GLN B 49 -0.383 18.413 -10.897 1.00 0.00 N ATOM 1702 CA GLN B 49 0.586 17.588 -11.602 1.00 0.00 C ATOM 1703 C GLN B 49 0.186 16.122 -11.481 1.00 0.00 C ATOM 1704 O GLN B 49 0.454 15.313 -12.369 1.00 0.00 O ATOM 1705 CB GLN B 49 1.994 17.801 -11.041 1.00 0.00 C ATOM 1706 CG GLN B 49 2.453 19.253 -11.047 1.00 0.00 C ATOM 1707 CD GLN B 49 2.552 19.859 -12.439 1.00 0.00 C ATOM 1708 OE1 GLN B 49 2.354 21.061 -12.615 1.00 0.00 O ATOM 1709 NE2 GLN B 49 2.867 19.046 -13.435 1.00 0.00 N ATOM 0 H GLN B 49 -0.115 18.661 -9.945 1.00 0.00 H new ATOM 0 HA GLN B 49 0.596 17.877 -12.653 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.027 17.425 -10.018 1.00 0.00 H new ATOM 0 HB3 GLN B 49 2.699 17.206 -11.622 1.00 0.00 H new ATOM 0 HG2 GLN B 49 1.759 19.846 -10.451 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.427 19.319 -10.562 1.00 0.00 H new ATOM 0 HE21 GLN B 49 3.024 18.055 -13.254 1.00 0.00 H new ATOM 0 HE22 GLN B 49 2.952 19.411 -14.384 1.00 0.00 H new ATOM 1718 N ILE B 50 -0.466 15.795 -10.372 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.989 14.455 -10.145 1.00 0.00 C ATOM 1720 C ILE B 50 -2.508 14.468 -10.276 1.00 0.00 C ATOM 1721 O ILE B 50 -3.188 15.263 -9.622 1.00 0.00 O ATOM 1722 CB ILE B 50 -0.584 13.895 -8.752 1.00 0.00 C ATOM 1723 CG1 ILE B 50 0.864 13.385 -8.758 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -1.525 12.778 -8.314 1.00 0.00 C ATOM 1725 CD1 ILE B 50 1.908 14.471 -8.882 1.00 0.00 C ATOM 0 H ILE B 50 -0.646 16.448 -9.609 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.554 13.799 -10.899 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.660 14.716 -8.039 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.044 12.828 -7.838 1.00 0.00 H new ATOM 0 HG13 ILE B 50 0.986 12.684 -9.584 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.218 12.406 -7.337 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.543 13.163 -8.252 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.488 11.966 -9.040 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.902 14.023 -8.878 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.759 15.014 -9.815 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.818 15.160 -8.042 1.00 0.00 H new ATOM 1737 N SER B 51 -3.033 13.610 -11.135 1.00 0.00 N ATOM 1738 CA SER B 51 -4.469 13.546 -11.355 1.00 0.00 C ATOM 1739 C SER B 51 -5.097 12.428 -10.530 1.00 0.00 C ATOM 1740 O SER B 51 -6.071 12.644 -9.807 1.00 0.00 O ATOM 1741 CB SER B 51 -4.773 13.340 -12.842 1.00 0.00 C ATOM 1742 OG SER B 51 -6.172 13.342 -13.084 1.00 0.00 O ATOM 0 H SER B 51 -2.489 12.950 -11.690 1.00 0.00 H new ATOM 0 HA SER B 51 -4.903 14.493 -11.035 1.00 0.00 H new ATOM 0 HB2 SER B 51 -4.299 14.129 -13.426 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.345 12.395 -13.176 1.00 0.00 H new ATOM 0 HG SER B 51 -6.339 13.210 -14.041 1.00 0.00 H new ATOM 1748 N SER B 52 -4.530 11.239 -10.627 1.00 0.00 N ATOM 1749 CA SER B 52 -5.103 10.071 -9.978 1.00 0.00 C ATOM 1750 C SER B 52 -4.113 9.469 -8.984 1.00 0.00 C ATOM 1751 O SER B 52 -2.914 9.737 -9.063 1.00 0.00 O ATOM 1752 CB SER B 52 -5.484 9.037 -11.040 1.00 0.00 C ATOM 1753 OG SER B 52 -6.266 9.626 -12.067 1.00 0.00 O ATOM 0 H SER B 52 -3.673 11.056 -11.149 1.00 0.00 H new ATOM 0 HA SER B 52 -5.995 10.371 -9.428 1.00 0.00 H new ATOM 0 HB2 SER B 52 -4.581 8.602 -11.470 1.00 0.00 H new ATOM 0 HB3 SER B 52 -6.041 8.223 -10.576 1.00 0.00 H new ATOM 0 HG SER B 52 -6.495 8.946 -12.734 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.601 8.651 -8.031 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.737 7.954 -7.072 1.00 0.00 C ATOM 1761 C PRO B 53 -2.656 7.138 -7.772 1.00 0.00 C ATOM 1762 O PRO B 53 -1.513 7.093 -7.329 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.700 7.030 -6.321 1.00 0.00 C ATOM 1764 CG PRO B 53 -6.036 7.671 -6.464 1.00 0.00 C ATOM 1765 CD PRO B 53 -6.028 8.358 -7.801 1.00 0.00 C ATOM 0 HA PRO B 53 -3.205 8.648 -6.421 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -4.696 6.026 -6.746 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -4.418 6.934 -5.272 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -6.832 6.928 -6.412 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -6.214 8.385 -5.660 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -6.437 7.718 -8.583 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.627 9.268 -7.788 1.00 0.00 H new ATOM 1773 N SER B 54 -3.030 6.518 -8.887 1.00 0.00 N ATOM 1774 CA SER B 54 -2.110 5.710 -9.677 1.00 0.00 C ATOM 1775 C SER B 54 -0.979 6.565 -10.253 1.00 0.00 C ATOM 1776 O SER B 54 0.142 6.090 -10.431 1.00 0.00 O ATOM 1777 CB SER B 54 -2.882 5.035 -10.807 1.00 0.00 C ATOM 1778 OG SER B 54 -4.096 4.481 -10.325 1.00 0.00 O ATOM 0 H SER B 54 -3.976 6.562 -9.266 1.00 0.00 H new ATOM 0 HA SER B 54 -1.662 4.955 -9.030 1.00 0.00 H new ATOM 0 HB2 SER B 54 -3.094 5.760 -11.593 1.00 0.00 H new ATOM 0 HB3 SER B 54 -2.271 4.251 -11.254 1.00 0.00 H new ATOM 0 HG SER B 54 -4.577 4.054 -11.064 1.00 0.00 H new ATOM 1784 N ASP B 55 -1.281 7.830 -10.519 1.00 0.00 N ATOM 1785 CA ASP B 55 -0.310 8.755 -11.098 1.00 0.00 C ATOM 1786 C ASP B 55 0.747 9.125 -10.060 1.00 0.00 C ATOM 1787 O ASP B 55 1.954 9.080 -10.327 1.00 0.00 O ATOM 1788 CB ASP B 55 -1.034 10.005 -11.609 1.00 0.00 C ATOM 1789 CG ASP B 55 -0.112 11.001 -12.280 1.00 0.00 C ATOM 1790 OD1 ASP B 55 0.760 10.578 -13.069 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -0.289 12.213 -12.054 1.00 0.00 O ATOM 0 H ASP B 55 -2.197 8.242 -10.342 1.00 0.00 H new ATOM 0 HA ASP B 55 0.193 8.275 -11.937 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -1.808 9.704 -12.315 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -1.537 10.492 -10.773 1.00 0.00 H new ATOM 1796 N LEU B 56 0.286 9.465 -8.863 1.00 0.00 N ATOM 1797 CA LEU B 56 1.184 9.712 -7.742 1.00 0.00 C ATOM 1798 C LEU B 56 1.960 8.442 -7.418 1.00 0.00 C ATOM 1799 O LEU B 56 3.163 8.478 -7.157 1.00 0.00 O ATOM 1800 CB LEU B 56 0.392 10.167 -6.514 1.00 0.00 C ATOM 1801 CG LEU B 56 1.229 10.449 -5.264 1.00 0.00 C ATOM 1802 CD1 LEU B 56 2.167 11.624 -5.503 1.00 0.00 C ATOM 1803 CD2 LEU B 56 0.327 10.715 -4.069 1.00 0.00 C ATOM 0 H LEU B 56 -0.704 9.576 -8.643 1.00 0.00 H new ATOM 0 HA LEU B 56 1.883 10.502 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.161 11.070 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.345 9.401 -6.273 1.00 0.00 H new ATOM 0 HG LEU B 56 1.834 9.569 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU B 56 2.754 11.810 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.836 11.393 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU B 56 1.583 12.512 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.938 10.914 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.304 11.579 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -0.301 9.843 -3.886 1.00 0.00 H new ATOM 1815 N ARG B 57 1.250 7.320 -7.460 1.00 0.00 N ATOM 1816 CA ARG B 57 1.829 6.011 -7.196 1.00 0.00 C ATOM 1817 C ARG B 57 2.956 5.711 -8.180 1.00 0.00 C ATOM 1818 O ARG B 57 3.941 5.063 -7.827 1.00 0.00 O ATOM 1819 CB ARG B 57 0.735 4.948 -7.288 1.00 0.00 C ATOM 1820 CG ARG B 57 1.176 3.553 -6.890 1.00 0.00 C ATOM 1821 CD ARG B 57 -0.026 2.678 -6.588 1.00 0.00 C ATOM 1822 NE ARG B 57 -0.874 3.274 -5.553 1.00 0.00 N ATOM 1823 CZ ARG B 57 -2.204 3.212 -5.551 1.00 0.00 C ATOM 1824 NH1 ARG B 57 -2.842 2.539 -6.505 1.00 0.00 N ATOM 1825 NH2 ARG B 57 -2.898 3.820 -4.596 1.00 0.00 N ATOM 0 H ARG B 57 0.254 7.294 -7.679 1.00 0.00 H new ATOM 0 HA ARG B 57 2.254 6.003 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG B 57 -0.098 5.247 -6.652 1.00 0.00 H new ATOM 0 HB3 ARG B 57 0.360 4.918 -8.311 1.00 0.00 H new ATOM 0 HG2 ARG B 57 1.763 3.108 -7.693 1.00 0.00 H new ATOM 0 HG3 ARG B 57 1.823 3.606 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -0.608 2.531 -7.497 1.00 0.00 H new ATOM 0 HD3 ARG B 57 0.311 1.694 -6.262 1.00 0.00 H new ATOM 0 HE ARG B 57 -0.417 3.767 -4.786 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -2.312 2.070 -7.239 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -3.861 2.492 -6.502 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -2.412 4.336 -3.862 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -3.917 3.771 -4.596 1.00 0.00 H new ATOM 1839 N GLU B 58 2.802 6.194 -9.408 1.00 0.00 N ATOM 1840 CA GLU B 58 3.842 6.062 -10.416 1.00 0.00 C ATOM 1841 C GLU B 58 5.112 6.753 -9.949 1.00 0.00 C ATOM 1842 O GLU B 58 6.179 6.150 -9.928 1.00 0.00 O ATOM 1843 CB GLU B 58 3.400 6.672 -11.745 1.00 0.00 C ATOM 1844 CG GLU B 58 4.466 6.589 -12.825 1.00 0.00 C ATOM 1845 CD GLU B 58 4.187 7.505 -13.991 1.00 0.00 C ATOM 1846 OE1 GLU B 58 3.386 7.131 -14.871 1.00 0.00 O ATOM 1847 OE2 GLU B 58 4.771 8.607 -14.039 1.00 0.00 O ATOM 0 H GLU B 58 1.965 6.681 -9.728 1.00 0.00 H new ATOM 0 HA GLU B 58 4.032 4.999 -10.563 1.00 0.00 H new ATOM 0 HB2 GLU B 58 2.501 6.162 -12.091 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.133 7.717 -11.587 1.00 0.00 H new ATOM 0 HG2 GLU B 58 5.435 6.842 -12.394 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.535 5.562 -13.184 1.00 0.00 H new ATOM 1854 N LYS B 59 4.986 8.021 -9.566 1.00 0.00 N ATOM 1855 CA LYS B 59 6.137 8.793 -9.106 1.00 0.00 C ATOM 1856 C LYS B 59 6.756 8.184 -7.858 1.00 0.00 C ATOM 1857 O LYS B 59 7.977 8.147 -7.720 1.00 0.00 O ATOM 1858 CB LYS B 59 5.760 10.251 -8.843 1.00 0.00 C ATOM 1859 CG LYS B 59 6.107 11.172 -9.996 1.00 0.00 C ATOM 1860 CD LYS B 59 5.241 10.904 -11.215 1.00 0.00 C ATOM 1861 CE LYS B 59 5.889 11.454 -12.470 1.00 0.00 C ATOM 1862 NZ LYS B 59 6.642 10.406 -13.214 1.00 0.00 N ATOM 0 H LYS B 59 4.104 8.533 -9.565 1.00 0.00 H new ATOM 0 HA LYS B 59 6.877 8.764 -9.906 1.00 0.00 H new ATOM 0 HB2 LYS B 59 4.690 10.313 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.271 10.596 -7.944 1.00 0.00 H new ATOM 0 HG2 LYS B 59 5.982 12.209 -9.683 1.00 0.00 H new ATOM 0 HG3 LYS B 59 7.156 11.043 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS B 59 5.081 9.831 -11.324 1.00 0.00 H new ATOM 0 HD3 LYS B 59 4.261 11.360 -11.077 1.00 0.00 H new ATOM 0 HE2 LYS B 59 5.122 11.878 -13.118 1.00 0.00 H new ATOM 0 HE3 LYS B 59 6.566 12.266 -12.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 7.041 10.816 -14.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 7.412 10.042 -12.617 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 5.999 9.627 -13.462 1.00 0.00 H new ATOM 1876 N LEU B 60 5.914 7.705 -6.957 1.00 0.00 N ATOM 1877 CA LEU B 60 6.386 7.056 -5.745 1.00 0.00 C ATOM 1878 C LEU B 60 7.202 5.814 -6.092 1.00 0.00 C ATOM 1879 O LEU B 60 8.276 5.587 -5.541 1.00 0.00 O ATOM 1880 CB LEU B 60 5.203 6.687 -4.853 1.00 0.00 C ATOM 1881 CG LEU B 60 4.350 7.869 -4.394 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.094 7.381 -3.697 1.00 0.00 C ATOM 1883 CD2 LEU B 60 5.150 8.784 -3.478 1.00 0.00 C ATOM 0 H LEU B 60 4.899 7.754 -7.042 1.00 0.00 H new ATOM 0 HA LEU B 60 7.029 7.749 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU B 60 4.566 5.985 -5.391 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.579 6.166 -3.973 1.00 0.00 H new ATOM 0 HG LEU B 60 4.054 8.440 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU B 60 2.499 8.237 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU B 60 2.510 6.770 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU B 60 3.369 6.785 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.525 9.619 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.478 8.225 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.020 9.164 -4.013 1.00 0.00 H new ATOM 1895 N SER B 61 6.691 5.026 -7.026 1.00 0.00 N ATOM 1896 CA SER B 61 7.393 3.844 -7.496 1.00 0.00 C ATOM 1897 C SER B 61 8.670 4.247 -8.236 1.00 0.00 C ATOM 1898 O SER B 61 9.735 3.668 -8.025 1.00 0.00 O ATOM 1899 CB SER B 61 6.475 3.028 -8.414 1.00 0.00 C ATOM 1900 OG SER B 61 7.108 1.841 -8.862 1.00 0.00 O ATOM 0 H SER B 61 5.789 5.186 -7.474 1.00 0.00 H new ATOM 0 HA SER B 61 7.672 3.229 -6.640 1.00 0.00 H new ATOM 0 HB2 SER B 61 5.559 2.774 -7.881 1.00 0.00 H new ATOM 0 HB3 SER B 61 6.186 3.634 -9.273 1.00 0.00 H new ATOM 0 HG SER B 61 6.844 1.093 -8.287 1.00 0.00 H new ATOM 1906 N GLU B 62 8.547 5.262 -9.078 1.00 0.00 N ATOM 1907 CA GLU B 62 9.643 5.742 -9.908 1.00 0.00 C ATOM 1908 C GLU B 62 10.813 6.252 -9.069 1.00 0.00 C ATOM 1909 O GLU B 62 11.969 5.898 -9.320 1.00 0.00 O ATOM 1910 CB GLU B 62 9.121 6.845 -10.828 1.00 0.00 C ATOM 1911 CG GLU B 62 10.183 7.516 -11.676 1.00 0.00 C ATOM 1912 CD GLU B 62 9.580 8.447 -12.702 1.00 0.00 C ATOM 1913 OE1 GLU B 62 8.977 9.468 -12.308 1.00 0.00 O ATOM 1914 OE2 GLU B 62 9.680 8.146 -13.907 1.00 0.00 O ATOM 0 H GLU B 62 7.678 5.780 -9.206 1.00 0.00 H new ATOM 0 HA GLU B 62 10.020 4.909 -10.502 1.00 0.00 H new ATOM 0 HB2 GLU B 62 8.363 6.422 -11.487 1.00 0.00 H new ATOM 0 HB3 GLU B 62 8.628 7.603 -10.220 1.00 0.00 H new ATOM 0 HG2 GLU B 62 10.861 8.076 -11.032 1.00 0.00 H new ATOM 0 HG3 GLU B 62 10.778 6.755 -12.181 1.00 0.00 H new ATOM 1921 N LEU B 63 10.520 7.076 -8.071 1.00 0.00 N ATOM 1922 CA LEU B 63 11.566 7.641 -7.230 1.00 0.00 C ATOM 1923 C LEU B 63 12.158 6.577 -6.312 1.00 0.00 C ATOM 1924 O LEU B 63 13.351 6.611 -6.001 1.00 0.00 O ATOM 1925 CB LEU B 63 11.034 8.818 -6.410 1.00 0.00 C ATOM 1926 CG LEU B 63 10.474 9.988 -7.226 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.139 11.154 -6.313 1.00 0.00 C ATOM 1928 CD2 LEU B 63 11.455 10.422 -8.306 1.00 0.00 C ATOM 0 H LEU B 63 9.573 7.366 -7.826 1.00 0.00 H new ATOM 0 HA LEU B 63 12.356 8.010 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.250 8.452 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU B 63 11.839 9.191 -5.777 1.00 0.00 H new ATOM 0 HG LEU B 63 9.560 9.653 -7.717 1.00 0.00 H new ATOM 0 HD11 LEU B 63 9.742 11.978 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.394 10.841 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.040 11.481 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU B 63 11.032 11.254 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.390 10.736 -7.843 1.00 0.00 H new ATOM 0 HD23 LEU B 63 11.647 9.587 -8.980 1.00 0.00 H new ATOM 1940 N ALA B 64 11.326 5.629 -5.888 1.00 0.00 N ATOM 1941 CA ALA B 64 11.796 4.505 -5.085 1.00 0.00 C ATOM 1942 C ALA B 64 12.708 3.614 -5.916 1.00 0.00 C ATOM 1943 O ALA B 64 13.701 3.078 -5.423 1.00 0.00 O ATOM 1944 CB ALA B 64 10.621 3.705 -4.542 1.00 0.00 C ATOM 0 H ALA B 64 10.326 5.617 -6.087 1.00 0.00 H new ATOM 0 HA ALA B 64 12.362 4.895 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA B 64 10.993 2.871 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.000 4.348 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.027 3.321 -5.372 1.00 0.00 H new ATOM 1950 N ASP B 65 12.359 3.478 -7.188 1.00 0.00 N ATOM 1951 CA ASP B 65 13.162 2.726 -8.142 1.00 0.00 C ATOM 1952 C ASP B 65 14.523 3.386 -8.339 1.00 0.00 C ATOM 1953 O ASP B 65 15.545 2.709 -8.465 1.00 0.00 O ATOM 1954 CB ASP B 65 12.418 2.626 -9.475 1.00 0.00 C ATOM 1955 CG ASP B 65 13.234 1.964 -10.561 1.00 0.00 C ATOM 1956 OD1 ASP B 65 13.483 0.743 -10.465 1.00 0.00 O ATOM 1957 OD2 ASP B 65 13.623 2.660 -11.523 1.00 0.00 O ATOM 0 H ASP B 65 11.513 3.885 -7.587 1.00 0.00 H new ATOM 0 HA ASP B 65 13.327 1.722 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP B 65 11.496 2.064 -9.328 1.00 0.00 H new ATOM 0 HB3 ASP B 65 12.133 3.626 -9.801 1.00 0.00 H new ATOM 1962 N ALA B 66 14.529 4.716 -8.346 1.00 0.00 N ATOM 1963 CA ALA B 66 15.765 5.482 -8.466 1.00 0.00 C ATOM 1964 C ALA B 66 16.625 5.331 -7.212 1.00 0.00 C ATOM 1965 O ALA B 66 17.852 5.436 -7.268 1.00 0.00 O ATOM 1966 CB ALA B 66 15.456 6.948 -8.726 1.00 0.00 C ATOM 0 H ALA B 66 13.688 5.287 -8.270 1.00 0.00 H new ATOM 0 HA ALA B 66 16.329 5.089 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.388 7.506 -8.813 1.00 0.00 H new ATOM 0 HB2 ALA B 66 14.889 7.042 -9.652 1.00 0.00 H new ATOM 0 HB3 ALA B 66 14.869 7.348 -7.899 1.00 0.00 H new ATOM 1972 N LYS B 67 15.973 5.097 -6.078 1.00 0.00 N ATOM 1973 CA LYS B 67 16.678 4.838 -4.827 1.00 0.00 C ATOM 1974 C LYS B 67 17.262 3.432 -4.826 1.00 0.00 C ATOM 1975 O LYS B 67 18.372 3.208 -4.347 1.00 0.00 O ATOM 1976 CB LYS B 67 15.735 5.000 -3.633 1.00 0.00 C ATOM 1977 CG LYS B 67 15.489 6.442 -3.231 1.00 0.00 C ATOM 1978 CD LYS B 67 16.743 7.072 -2.650 1.00 0.00 C ATOM 1979 CE LYS B 67 16.487 8.488 -2.164 1.00 0.00 C ATOM 1980 NZ LYS B 67 17.699 9.084 -1.545 1.00 0.00 N ATOM 0 H LYS B 67 14.956 5.081 -5.999 1.00 0.00 H new ATOM 0 HA LYS B 67 17.488 5.562 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS B 67 14.780 4.532 -3.872 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.149 4.462 -2.781 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.161 7.013 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS B 67 14.684 6.486 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.106 6.463 -1.822 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.528 7.083 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS B 67 16.164 9.107 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS B 67 15.673 8.482 -1.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 17.486 10.050 -1.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 17.993 8.507 -0.731 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 18.468 9.112 -2.245 1.00 0.00 H new ATOM 1994 N GLY B 68 16.507 2.497 -5.376 1.00 0.00 N ATOM 1995 CA GLY B 68 16.922 1.113 -5.376 1.00 0.00 C ATOM 1996 C GLY B 68 16.095 0.285 -4.419 1.00 0.00 C ATOM 1997 O GLY B 68 16.602 -0.638 -3.785 1.00 0.00 O ATOM 0 H GLY B 68 15.608 2.674 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY B 68 16.832 0.705 -6.383 1.00 0.00 H new ATOM 0 HA3 GLY B 68 17.974 1.048 -5.099 1.00 0.00 H new ATOM 2001 N GLY B 69 14.820 0.632 -4.300 1.00 0.00 N ATOM 2002 CA GLY B 69 13.922 -0.110 -3.443 1.00 0.00 C ATOM 2003 C GLY B 69 12.785 -0.730 -4.226 1.00 0.00 C ATOM 2004 O GLY B 69 12.524 -0.339 -5.365 1.00 0.00 O ATOM 0 H GLY B 69 14.392 1.420 -4.786 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.477 -0.893 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.518 0.553 -2.678 1.00 0.00 H new ATOM 2008 N LYS B 70 12.107 -1.693 -3.620 1.00 0.00 N ATOM 2009 CA LYS B 70 11.016 -2.394 -4.287 1.00 0.00 C ATOM 2010 C LYS B 70 9.678 -2.067 -3.634 1.00 0.00 C ATOM 2011 O LYS B 70 8.614 -2.318 -4.203 1.00 0.00 O ATOM 2012 CB LYS B 70 11.250 -3.903 -4.250 1.00 0.00 C ATOM 2013 CG LYS B 70 12.511 -4.348 -4.973 1.00 0.00 C ATOM 2014 CD LYS B 70 12.642 -5.861 -4.965 1.00 0.00 C ATOM 2015 CE LYS B 70 11.447 -6.521 -5.634 1.00 0.00 C ATOM 2016 NZ LYS B 70 11.504 -8.002 -5.549 1.00 0.00 N ATOM 0 H LYS B 70 12.292 -2.008 -2.668 1.00 0.00 H new ATOM 0 HA LYS B 70 10.989 -2.060 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS B 70 11.305 -4.227 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS B 70 10.391 -4.405 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS B 70 12.491 -3.987 -6.001 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.384 -3.902 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.557 -6.152 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.729 -6.216 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS B 70 10.529 -6.167 -5.165 1.00 0.00 H new ATOM 0 HE3 LYS B 70 11.407 -6.220 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 10.670 -8.409 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 12.367 -8.344 -6.019 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 11.516 -8.292 -4.550 1.00 0.00 H new ATOM 2030 N TYR B 71 9.736 -1.515 -2.437 1.00 0.00 N ATOM 2031 CA TYR B 71 8.534 -1.154 -1.708 1.00 0.00 C ATOM 2032 C TYR B 71 8.677 0.253 -1.162 1.00 0.00 C ATOM 2033 O TYR B 71 9.793 0.749 -1.005 1.00 0.00 O ATOM 2034 CB TYR B 71 8.281 -2.135 -0.560 1.00 0.00 C ATOM 2035 CG TYR B 71 8.074 -3.569 -1.002 1.00 0.00 C ATOM 2036 CD1 TYR B 71 6.846 -3.996 -1.490 1.00 0.00 C ATOM 2037 CD2 TYR B 71 9.108 -4.495 -0.930 1.00 0.00 C ATOM 2038 CE1 TYR B 71 6.651 -5.304 -1.889 1.00 0.00 C ATOM 2039 CE2 TYR B 71 8.920 -5.805 -1.325 1.00 0.00 C ATOM 2040 CZ TYR B 71 7.692 -6.205 -1.806 1.00 0.00 C ATOM 2041 OH TYR B 71 7.500 -7.511 -2.196 1.00 0.00 O ATOM 0 H TYR B 71 10.606 -1.306 -1.947 1.00 0.00 H new ATOM 0 HA TYR B 71 7.685 -1.197 -2.390 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.126 -2.097 0.128 1.00 0.00 H new ATOM 0 HB3 TYR B 71 7.402 -1.808 -0.004 1.00 0.00 H new ATOM 0 HD1 TYR B 71 6.029 -3.293 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR B 71 10.074 -4.185 -0.559 1.00 0.00 H new ATOM 0 HE1 TYR B 71 5.689 -5.619 -2.264 1.00 0.00 H new ATOM 0 HE2 TYR B 71 9.732 -6.513 -1.257 1.00 0.00 H new ATOM 0 HH TYR B 71 8.332 -8.014 -2.075 1.00 0.00 H new ATOM 2051 N TYR B 72 7.561 0.900 -0.884 1.00 0.00 N ATOM 2052 CA TYR B 72 7.591 2.229 -0.306 1.00 0.00 C ATOM 2053 C TYR B 72 6.430 2.409 0.658 1.00 0.00 C ATOM 2054 O TYR B 72 5.476 1.627 0.655 1.00 0.00 O ATOM 2055 CB TYR B 72 7.555 3.311 -1.396 1.00 0.00 C ATOM 2056 CG TYR B 72 6.255 3.378 -2.165 1.00 0.00 C ATOM 2057 CD1 TYR B 72 5.189 4.137 -1.695 1.00 0.00 C ATOM 2058 CD2 TYR B 72 6.092 2.685 -3.356 1.00 0.00 C ATOM 2059 CE1 TYR B 72 4.001 4.201 -2.390 1.00 0.00 C ATOM 2060 CE2 TYR B 72 4.905 2.746 -4.056 1.00 0.00 C ATOM 2061 CZ TYR B 72 3.864 3.504 -3.568 1.00 0.00 C ATOM 2062 OH TYR B 72 2.680 3.563 -4.260 1.00 0.00 O ATOM 0 H TYR B 72 6.626 0.528 -1.049 1.00 0.00 H new ATOM 0 HA TYR B 72 8.527 2.338 0.243 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.741 4.281 -0.935 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.369 3.130 -2.098 1.00 0.00 H new ATOM 0 HD1 TYR B 72 5.294 4.685 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR B 72 6.906 2.089 -3.741 1.00 0.00 H new ATOM 0 HE1 TYR B 72 3.182 4.795 -2.012 1.00 0.00 H new ATOM 0 HE2 TYR B 72 4.793 2.202 -4.982 1.00 0.00 H new ATOM 0 HH TYR B 72 2.476 4.496 -4.480 1.00 0.00 H new ATOM 2072 N HIS B 73 6.520 3.436 1.479 1.00 0.00 N ATOM 2073 CA HIS B 73 5.481 3.744 2.441 1.00 0.00 C ATOM 2074 C HIS B 73 5.362 5.250 2.618 1.00 0.00 C ATOM 2075 O HIS B 73 6.289 5.896 3.104 1.00 0.00 O ATOM 2076 CB HIS B 73 5.796 3.071 3.782 1.00 0.00 C ATOM 2077 CG HIS B 73 4.828 3.391 4.878 1.00 0.00 C ATOM 2078 ND1 HIS B 73 3.671 2.678 5.096 1.00 0.00 N ATOM 2079 CD2 HIS B 73 4.858 4.353 5.829 1.00 0.00 C ATOM 2080 CE1 HIS B 73 3.030 3.190 6.130 1.00 0.00 C ATOM 2081 NE2 HIS B 73 3.730 4.207 6.593 1.00 0.00 N ATOM 0 H HIS B 73 7.312 4.078 1.498 1.00 0.00 H new ATOM 0 HA HIS B 73 4.529 3.362 2.072 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.817 1.991 3.636 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.796 3.369 4.098 1.00 0.00 H new ATOM 0 HD1 HIS B 73 3.358 1.879 4.545 1.00 0.00 H new ATOM 0 HD2 HIS B 73 5.629 5.098 5.961 1.00 0.00 H new ATOM 0 HE1 HIS B 73 2.091 2.836 6.529 1.00 0.00 H new ATOM 2090 N ILE B 74 4.233 5.806 2.208 1.00 0.00 N ATOM 2091 CA ILE B 74 3.981 7.231 2.387 1.00 0.00 C ATOM 2092 C ILE B 74 3.831 7.549 3.868 1.00 0.00 C ATOM 2093 O ILE B 74 2.921 7.043 4.526 1.00 0.00 O ATOM 2094 CB ILE B 74 2.709 7.693 1.646 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.781 7.331 0.162 1.00 0.00 C ATOM 2096 CG2 ILE B 74 2.518 9.196 1.813 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.534 7.711 -0.610 1.00 0.00 C ATOM 0 H ILE B 74 3.477 5.296 1.750 1.00 0.00 H new ATOM 0 HA ILE B 74 4.834 7.764 1.966 1.00 0.00 H new ATOM 0 HB ILE B 74 1.854 7.177 2.082 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.642 7.829 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.947 6.258 0.065 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.617 9.509 1.285 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.420 9.435 2.872 1.00 0.00 H new ATOM 0 HG23 ILE B 74 3.380 9.720 1.401 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.652 7.426 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.673 7.193 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE B 74 1.378 8.788 -0.543 1.00 0.00 H new ATOM 2109 N ILE B 75 4.722 8.376 4.391 1.00 0.00 N ATOM 2110 CA ILE B 75 4.691 8.727 5.803 1.00 0.00 C ATOM 2111 C ILE B 75 4.074 10.104 6.010 1.00 0.00 C ATOM 2112 O ILE B 75 3.548 10.404 7.084 1.00 0.00 O ATOM 2113 CB ILE B 75 6.099 8.696 6.432 1.00 0.00 C ATOM 2114 CG1 ILE B 75 7.042 9.662 5.703 1.00 0.00 C ATOM 2115 CG2 ILE B 75 6.650 7.279 6.401 1.00 0.00 C ATOM 2116 CD1 ILE B 75 8.410 9.780 6.342 1.00 0.00 C ATOM 0 H ILE B 75 5.474 8.816 3.861 1.00 0.00 H new ATOM 0 HA ILE B 75 4.075 7.978 6.300 1.00 0.00 H new ATOM 0 HB ILE B 75 6.025 9.020 7.470 1.00 0.00 H new ATOM 0 HG12 ILE B 75 7.161 9.330 4.672 1.00 0.00 H new ATOM 0 HG13 ILE B 75 6.581 10.649 5.669 1.00 0.00 H new ATOM 0 HG21 ILE B 75 7.645 7.266 6.847 1.00 0.00 H new ATOM 0 HG22 ILE B 75 5.990 6.620 6.965 1.00 0.00 H new ATOM 0 HG23 ILE B 75 6.711 6.935 5.369 1.00 0.00 H new ATOM 0 HD11 ILE B 75 9.019 10.480 5.771 1.00 0.00 H new ATOM 0 HD12 ILE B 75 8.304 10.142 7.365 1.00 0.00 H new ATOM 0 HD13 ILE B 75 8.893 8.803 6.351 1.00 0.00 H new ATOM 2128 N ALA B 76 4.131 10.934 4.980 1.00 0.00 N ATOM 2129 CA ALA B 76 3.578 12.276 5.056 1.00 0.00 C ATOM 2130 C ALA B 76 3.001 12.703 3.714 1.00 0.00 C ATOM 2131 O ALA B 76 3.734 13.067 2.798 1.00 0.00 O ATOM 2132 CB ALA B 76 4.639 13.264 5.520 1.00 0.00 C ATOM 0 H ALA B 76 4.555 10.701 4.082 1.00 0.00 H new ATOM 0 HA ALA B 76 2.768 12.269 5.786 1.00 0.00 H new ATOM 0 HB1 ALA B 76 4.208 14.264 5.571 1.00 0.00 H new ATOM 0 HB2 ALA B 76 5.000 12.974 6.507 1.00 0.00 H new ATOM 0 HB3 ALA B 76 5.470 13.263 4.815 1.00 0.00 H new ATOM 2138 N ALA B 77 1.688 12.624 3.595 1.00 0.00 N ATOM 2139 CA ALA B 77 1.005 13.079 2.398 1.00 0.00 C ATOM 2140 C ALA B 77 0.175 14.307 2.723 1.00 0.00 C ATOM 2141 O ALA B 77 -0.957 14.197 3.199 1.00 0.00 O ATOM 2142 CB ALA B 77 0.131 11.976 1.818 1.00 0.00 C ATOM 0 H ALA B 77 1.072 12.248 4.315 1.00 0.00 H new ATOM 0 HA ALA B 77 1.749 13.341 1.646 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.370 12.342 0.922 1.00 0.00 H new ATOM 0 HB2 ALA B 77 0.751 11.117 1.562 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -0.615 11.678 2.555 1.00 0.00 H new ATOM 2148 N ARG B 78 0.743 15.478 2.495 1.00 0.00 N ATOM 2149 CA ARG B 78 0.078 16.714 2.863 1.00 0.00 C ATOM 2150 C ARG B 78 -0.181 17.586 1.646 1.00 0.00 C ATOM 2151 O ARG B 78 0.682 17.758 0.785 1.00 0.00 O ATOM 2152 CB ARG B 78 0.888 17.486 3.911 1.00 0.00 C ATOM 2153 CG ARG B 78 2.309 17.824 3.485 1.00 0.00 C ATOM 2154 CD ARG B 78 2.971 18.786 4.462 1.00 0.00 C ATOM 2155 NE ARG B 78 3.100 18.220 5.807 1.00 0.00 N ATOM 2156 CZ ARG B 78 2.402 18.637 6.866 1.00 0.00 C ATOM 2157 NH1 ARG B 78 1.502 19.605 6.737 1.00 0.00 N ATOM 2158 NH2 ARG B 78 2.602 18.082 8.052 1.00 0.00 N ATOM 0 H ARG B 78 1.657 15.598 2.060 1.00 0.00 H new ATOM 0 HA ARG B 78 -0.884 16.448 3.300 1.00 0.00 H new ATOM 0 HB2 ARG B 78 0.363 18.411 4.148 1.00 0.00 H new ATOM 0 HB3 ARG B 78 0.927 16.898 4.828 1.00 0.00 H new ATOM 0 HG2 ARG B 78 2.897 16.909 3.419 1.00 0.00 H new ATOM 0 HG3 ARG B 78 2.296 18.267 2.489 1.00 0.00 H new ATOM 0 HD2 ARG B 78 3.959 19.055 4.088 1.00 0.00 H new ATOM 0 HD3 ARG B 78 2.388 19.706 4.513 1.00 0.00 H new ATOM 0 HE ARG B 78 3.765 17.459 5.943 1.00 0.00 H new ATOM 0 HH11 ARG B 78 1.341 20.034 5.826 1.00 0.00 H new ATOM 0 HH12 ARG B 78 0.972 19.920 7.549 1.00 0.00 H new ATOM 0 HH21 ARG B 78 3.289 17.336 8.156 1.00 0.00 H new ATOM 0 HH22 ARG B 78 2.069 18.401 8.861 1.00 0.00 H new ATOM 2172 N GLU B 79 -1.383 18.125 1.583 1.00 0.00 N ATOM 2173 CA GLU B 79 -1.775 19.016 0.510 1.00 0.00 C ATOM 2174 C GLU B 79 -1.822 20.440 1.044 1.00 0.00 C ATOM 2175 O GLU B 79 -2.849 20.887 1.556 1.00 0.00 O ATOM 2176 CB GLU B 79 -3.141 18.602 -0.038 1.00 0.00 C ATOM 2177 CG GLU B 79 -3.556 19.329 -1.306 1.00 0.00 C ATOM 2178 CD GLU B 79 -4.988 19.030 -1.688 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -5.271 17.898 -2.140 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -5.849 19.915 -1.507 1.00 0.00 O ATOM 0 H GLU B 79 -2.114 17.957 2.274 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.051 18.960 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -3.130 17.530 -0.236 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -3.895 18.777 0.730 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -3.435 20.403 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -2.895 19.039 -2.123 1.00 0.00 H new ATOM 2187 N HIS B 80 -0.701 21.137 0.960 1.00 0.00 N ATOM 2188 CA HIS B 80 -0.591 22.459 1.553 1.00 0.00 C ATOM 2189 C HIS B 80 -0.825 23.535 0.506 1.00 0.00 C ATOM 2190 O HIS B 80 0.113 24.024 -0.126 1.00 0.00 O ATOM 2191 CB HIS B 80 0.779 22.641 2.215 1.00 0.00 C ATOM 2192 CG HIS B 80 0.913 23.916 2.993 1.00 0.00 C ATOM 2193 ND1 HIS B 80 1.952 24.800 2.816 1.00 0.00 N ATOM 2194 CD2 HIS B 80 0.139 24.441 3.973 1.00 0.00 C ATOM 2195 CE1 HIS B 80 1.814 25.811 3.650 1.00 0.00 C ATOM 2196 NE2 HIS B 80 0.721 25.619 4.363 1.00 0.00 N ATOM 0 H HIS B 80 0.143 20.811 0.489 1.00 0.00 H new ATOM 0 HA HIS B 80 -1.358 22.555 2.321 1.00 0.00 H new ATOM 0 HB2 HIS B 80 0.964 21.799 2.882 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.550 22.614 1.445 1.00 0.00 H new ATOM 0 HD2 HIS B 80 -0.768 24.011 4.373 1.00 0.00 H new ATOM 0 HE1 HIS B 80 2.483 26.655 3.735 1.00 0.00 H new ATOM 0 HE2 HIS B 80 0.367 26.245 5.086 1.00 0.00 H new ATOM 2205 N GLY B 81 -2.087 23.872 0.303 1.00 0.00 N ATOM 2206 CA GLY B 81 -2.430 24.885 -0.667 1.00 0.00 C ATOM 2207 C GLY B 81 -2.285 24.372 -2.082 1.00 0.00 C ATOM 2208 O GLY B 81 -2.904 23.369 -2.447 1.00 0.00 O ATOM 0 H GLY B 81 -2.881 23.461 0.794 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -3.456 25.215 -0.502 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -1.789 25.755 -0.527 1.00 0.00 H new ATOM 2212 N PRO B 82 -1.472 25.044 -2.906 1.00 0.00 N ATOM 2213 CA PRO B 82 -1.164 24.587 -4.255 1.00 0.00 C ATOM 2214 C PRO B 82 -0.021 23.576 -4.268 1.00 0.00 C ATOM 2215 O PRO B 82 0.178 22.858 -5.248 1.00 0.00 O ATOM 2216 CB PRO B 82 -0.752 25.876 -4.962 1.00 0.00 C ATOM 2217 CG PRO B 82 -0.147 26.725 -3.892 1.00 0.00 C ATOM 2218 CD PRO B 82 -0.804 26.325 -2.592 1.00 0.00 C ATOM 0 HA PRO B 82 -2.002 24.073 -4.726 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -0.037 25.677 -5.760 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -1.611 26.368 -5.418 1.00 0.00 H new ATOM 0 HG2 PRO B 82 0.931 26.574 -3.842 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -0.311 27.783 -4.099 1.00 0.00 H new ATOM 0 HD2 PRO B 82 -0.071 26.207 -1.794 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -1.520 27.077 -2.259 1.00 0.00 H new ATOM 2226 N ASN B 83 0.718 23.511 -3.169 1.00 0.00 N ATOM 2227 CA ASN B 83 1.873 22.633 -3.075 1.00 0.00 C ATOM 2228 C ASN B 83 1.484 21.290 -2.479 1.00 0.00 C ATOM 2229 O ASN B 83 1.115 21.198 -1.306 1.00 0.00 O ATOM 2230 CB ASN B 83 2.978 23.274 -2.232 1.00 0.00 C ATOM 2231 CG ASN B 83 3.550 24.526 -2.869 1.00 0.00 C ATOM 2232 OD1 ASN B 83 3.065 25.633 -2.640 1.00 0.00 O ATOM 2233 ND2 ASN B 83 4.594 24.360 -3.670 1.00 0.00 N ATOM 0 H ASN B 83 0.536 24.059 -2.328 1.00 0.00 H new ATOM 0 HA ASN B 83 2.251 22.473 -4.085 1.00 0.00 H new ATOM 0 HB2 ASN B 83 2.581 23.521 -1.248 1.00 0.00 H new ATOM 0 HB3 ASN B 83 3.779 22.551 -2.080 1.00 0.00 H new ATOM 0 HD21 ASN B 83 5.024 25.167 -4.121 1.00 0.00 H new ATOM 0 HD22 ASN B 83 4.967 23.425 -3.834 1.00 0.00 H new ATOM 2240 N PHE B 84 1.555 20.255 -3.295 1.00 0.00 N ATOM 2241 CA PHE B 84 1.272 18.908 -2.837 1.00 0.00 C ATOM 2242 C PHE B 84 2.575 18.207 -2.480 1.00 0.00 C ATOM 2243 O PHE B 84 3.431 17.994 -3.342 1.00 0.00 O ATOM 2244 CB PHE B 84 0.514 18.120 -3.910 1.00 0.00 C ATOM 2245 CG PHE B 84 0.118 16.741 -3.465 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -0.916 16.562 -2.560 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.783 15.624 -3.946 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.280 15.296 -2.143 1.00 0.00 C ATOM 2249 CE2 PHE B 84 0.422 14.356 -3.533 1.00 0.00 C ATOM 2250 CZ PHE B 84 -0.609 14.191 -2.630 1.00 0.00 C ATOM 0 H PHE B 84 1.807 20.322 -4.281 1.00 0.00 H new ATOM 0 HA PHE B 84 0.641 18.961 -1.950 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.381 18.674 -4.194 1.00 0.00 H new ATOM 0 HB3 PHE B 84 1.136 18.042 -4.801 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -1.444 17.422 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.592 15.746 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.088 15.170 -1.437 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.947 13.494 -3.917 1.00 0.00 H new ATOM 0 HZ PHE B 84 -0.890 13.200 -2.305 1.00 0.00 H new ATOM 2260 N GLU B 85 2.718 17.864 -1.210 1.00 0.00 N ATOM 2261 CA GLU B 85 3.942 17.260 -0.711 1.00 0.00 C ATOM 2262 C GLU B 85 3.709 15.795 -0.362 1.00 0.00 C ATOM 2263 O GLU B 85 3.036 15.480 0.624 1.00 0.00 O ATOM 2264 CB GLU B 85 4.426 18.015 0.529 1.00 0.00 C ATOM 2265 CG GLU B 85 4.588 19.513 0.319 1.00 0.00 C ATOM 2266 CD GLU B 85 5.765 19.861 -0.566 1.00 0.00 C ATOM 2267 OE1 GLU B 85 6.911 19.836 -0.067 1.00 0.00 O ATOM 2268 OE2 GLU B 85 5.552 20.181 -1.752 1.00 0.00 O ATOM 0 H GLU B 85 1.996 17.995 -0.502 1.00 0.00 H new ATOM 0 HA GLU B 85 4.702 17.319 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU B 85 3.720 17.847 1.342 1.00 0.00 H new ATOM 0 HB3 GLU B 85 5.382 17.598 0.845 1.00 0.00 H new ATOM 0 HG2 GLU B 85 3.676 19.913 -0.124 1.00 0.00 H new ATOM 0 HG3 GLU B 85 4.712 19.999 1.287 1.00 0.00 H new ATOM 2275 N ALA B 86 4.249 14.904 -1.178 1.00 0.00 N ATOM 2276 CA ALA B 86 4.139 13.478 -0.928 1.00 0.00 C ATOM 2277 C ALA B 86 5.478 12.910 -0.476 1.00 0.00 C ATOM 2278 O ALA B 86 6.393 12.727 -1.280 1.00 0.00 O ATOM 2279 CB ALA B 86 3.644 12.754 -2.171 1.00 0.00 C ATOM 0 H ALA B 86 4.769 15.145 -2.021 1.00 0.00 H new ATOM 0 HA ALA B 86 3.413 13.324 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.568 11.686 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.664 13.140 -2.451 1.00 0.00 H new ATOM 0 HB3 ALA B 86 4.345 12.916 -2.990 1.00 0.00 H new ATOM 2285 N VAL B 87 5.592 12.660 0.820 1.00 0.00 N ATOM 2286 CA VAL B 87 6.813 12.114 1.394 1.00 0.00 C ATOM 2287 C VAL B 87 6.635 10.632 1.709 1.00 0.00 C ATOM 2288 O VAL B 87 5.791 10.254 2.530 1.00 0.00 O ATOM 2289 CB VAL B 87 7.211 12.865 2.684 1.00 0.00 C ATOM 2290 CG1 VAL B 87 8.524 12.335 3.239 1.00 0.00 C ATOM 2291 CG2 VAL B 87 7.305 14.363 2.424 1.00 0.00 C ATOM 0 H VAL B 87 4.849 12.828 1.498 1.00 0.00 H new ATOM 0 HA VAL B 87 7.607 12.239 0.658 1.00 0.00 H new ATOM 0 HB VAL B 87 6.435 12.692 3.429 1.00 0.00 H new ATOM 0 HG11 VAL B 87 8.782 12.880 4.147 1.00 0.00 H new ATOM 0 HG12 VAL B 87 8.420 11.275 3.470 1.00 0.00 H new ATOM 0 HG13 VAL B 87 9.313 12.470 2.499 1.00 0.00 H new ATOM 0 HG21 VAL B 87 7.586 14.875 3.344 1.00 0.00 H new ATOM 0 HG22 VAL B 87 8.057 14.553 1.658 1.00 0.00 H new ATOM 0 HG23 VAL B 87 6.339 14.734 2.083 1.00 0.00 H new ATOM 2301 N ALA B 88 7.423 9.797 1.050 1.00 0.00 N ATOM 2302 CA ALA B 88 7.351 8.358 1.249 1.00 0.00 C ATOM 2303 C ALA B 88 8.737 7.787 1.505 1.00 0.00 C ATOM 2304 O ALA B 88 9.734 8.344 1.057 1.00 0.00 O ATOM 2305 CB ALA B 88 6.722 7.690 0.035 1.00 0.00 C ATOM 0 H ALA B 88 8.123 10.093 0.370 1.00 0.00 H new ATOM 0 HA ALA B 88 6.728 8.159 2.121 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.674 6.613 0.196 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.715 8.080 -0.114 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.326 7.898 -0.848 1.00 0.00 H new ATOM 2311 N GLU B 89 8.803 6.687 2.230 1.00 0.00 N ATOM 2312 CA GLU B 89 10.076 6.041 2.502 1.00 0.00 C ATOM 2313 C GLU B 89 10.265 4.838 1.598 1.00 0.00 C ATOM 2314 O GLU B 89 9.308 4.122 1.303 1.00 0.00 O ATOM 2315 CB GLU B 89 10.175 5.615 3.962 1.00 0.00 C ATOM 2316 CG GLU B 89 10.029 6.763 4.942 1.00 0.00 C ATOM 2317 CD GLU B 89 10.390 6.366 6.354 1.00 0.00 C ATOM 2318 OE1 GLU B 89 9.663 5.555 6.956 1.00 0.00 O ATOM 2319 OE2 GLU B 89 11.419 6.853 6.864 1.00 0.00 O ATOM 0 H GLU B 89 7.994 6.222 2.641 1.00 0.00 H new ATOM 0 HA GLU B 89 10.866 6.764 2.301 1.00 0.00 H new ATOM 0 HB2 GLU B 89 9.404 4.873 4.168 1.00 0.00 H new ATOM 0 HB3 GLU B 89 11.137 5.129 4.125 1.00 0.00 H new ATOM 0 HG2 GLU B 89 10.666 7.590 4.626 1.00 0.00 H new ATOM 0 HG3 GLU B 89 9.001 7.126 4.921 1.00 0.00 H new ATOM 2326 N VAL B 90 11.494 4.623 1.167 1.00 0.00 N ATOM 2327 CA VAL B 90 11.813 3.530 0.264 1.00 0.00 C ATOM 2328 C VAL B 90 12.358 2.342 1.042 1.00 0.00 C ATOM 2329 O VAL B 90 13.289 2.488 1.838 1.00 0.00 O ATOM 2330 CB VAL B 90 12.853 3.967 -0.788 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.120 2.853 -1.785 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.394 5.228 -1.500 1.00 0.00 C ATOM 0 H VAL B 90 12.296 5.196 1.430 1.00 0.00 H new ATOM 0 HA VAL B 90 10.894 3.242 -0.246 1.00 0.00 H new ATOM 0 HB VAL B 90 13.787 4.185 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL B 90 13.857 3.187 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.502 1.978 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.193 2.593 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.140 5.521 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.444 5.038 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL B 90 12.268 6.031 -0.773 1.00 0.00 H new ATOM 2342 N TYR B 91 11.779 1.172 0.814 1.00 0.00 N ATOM 2343 CA TYR B 91 12.203 -0.035 1.504 1.00 0.00 C ATOM 2344 C TYR B 91 12.635 -1.110 0.516 1.00 0.00 C ATOM 2345 O TYR B 91 12.178 -1.151 -0.631 1.00 0.00 O ATOM 2346 CB TYR B 91 11.080 -0.592 2.381 1.00 0.00 C ATOM 2347 CG TYR B 91 10.578 0.356 3.447 1.00 0.00 C ATOM 2348 CD1 TYR B 91 11.438 0.904 4.392 1.00 0.00 C ATOM 2349 CD2 TYR B 91 9.234 0.689 3.512 1.00 0.00 C ATOM 2350 CE1 TYR B 91 10.967 1.761 5.371 1.00 0.00 C ATOM 2351 CE2 TYR B 91 8.758 1.539 4.487 1.00 0.00 C ATOM 2352 CZ TYR B 91 9.624 2.073 5.414 1.00 0.00 C ATOM 2353 OH TYR B 91 9.137 2.916 6.389 1.00 0.00 O ATOM 0 H TYR B 91 11.013 1.034 0.155 1.00 0.00 H new ATOM 0 HA TYR B 91 13.050 0.239 2.133 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.243 -0.872 1.741 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.433 -1.504 2.863 1.00 0.00 H new ATOM 0 HD1 TYR B 91 12.489 0.657 4.362 1.00 0.00 H new ATOM 0 HD2 TYR B 91 8.549 0.276 2.787 1.00 0.00 H new ATOM 0 HE1 TYR B 91 11.646 2.183 6.097 1.00 0.00 H new ATOM 0 HE2 TYR B 91 7.707 1.786 4.524 1.00 0.00 H new ATOM 0 HH TYR B 91 9.526 3.808 6.274 1.00 0.00 H new ATOM 2363 N ASN B 92 13.519 -1.975 0.975 1.00 0.00 N ATOM 2364 CA ASN B 92 13.954 -3.133 0.211 1.00 0.00 C ATOM 2365 C ASN B 92 14.227 -4.267 1.191 1.00 0.00 C ATOM 2366 O ASN B 92 14.019 -4.105 2.393 1.00 0.00 O ATOM 2367 CB ASN B 92 15.220 -2.801 -0.593 1.00 0.00 C ATOM 2368 CG ASN B 92 15.415 -3.691 -1.813 1.00 0.00 C ATOM 2369 OD1 ASN B 92 14.927 -4.818 -1.871 1.00 0.00 O ATOM 2370 ND2 ASN B 92 16.142 -3.189 -2.798 1.00 0.00 N ATOM 0 H ASN B 92 13.959 -1.896 1.892 1.00 0.00 H new ATOM 0 HA ASN B 92 13.180 -3.428 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN B 92 15.174 -1.761 -0.916 1.00 0.00 H new ATOM 0 HB3 ASN B 92 16.089 -2.895 0.058 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.312 -3.741 -3.639 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.532 -2.250 -2.717 1.00 0.00 H new ATOM 2377 N ASP B 93 14.686 -5.400 0.697 1.00 0.00 N ATOM 2378 CA ASP B 93 15.054 -6.512 1.561 1.00 0.00 C ATOM 2379 C ASP B 93 16.457 -6.276 2.116 1.00 0.00 C ATOM 2380 O ASP B 93 17.137 -5.329 1.709 1.00 0.00 O ATOM 2381 CB ASP B 93 14.987 -7.833 0.780 1.00 0.00 C ATOM 2382 CG ASP B 93 15.230 -9.053 1.651 1.00 0.00 C ATOM 2383 OD1 ASP B 93 14.269 -9.538 2.286 1.00 0.00 O ATOM 2384 OD2 ASP B 93 16.386 -9.526 1.708 1.00 0.00 O ATOM 0 H ASP B 93 14.814 -5.578 -0.299 1.00 0.00 H new ATOM 0 HA ASP B 93 14.353 -6.578 2.393 1.00 0.00 H new ATOM 0 HB2 ASP B 93 14.008 -7.920 0.308 1.00 0.00 H new ATOM 0 HB3 ASP B 93 15.726 -7.813 -0.021 1.00 0.00 H new ATOM 2389 N ALA B 94 16.885 -7.114 3.049 1.00 0.00 N ATOM 2390 CA ALA B 94 18.220 -7.007 3.626 1.00 0.00 C ATOM 2391 C ALA B 94 19.285 -7.296 2.575 1.00 0.00 C ATOM 2392 O ALA B 94 20.411 -6.804 2.660 1.00 0.00 O ATOM 2393 CB ALA B 94 18.364 -7.956 4.807 1.00 0.00 C ATOM 0 H ALA B 94 16.325 -7.879 3.425 1.00 0.00 H new ATOM 0 HA ALA B 94 18.360 -5.986 3.982 1.00 0.00 H new ATOM 0 HB1 ALA B 94 19.366 -7.865 5.227 1.00 0.00 H new ATOM 0 HB2 ALA B 94 17.627 -7.703 5.569 1.00 0.00 H new ATOM 0 HB3 ALA B 94 18.203 -8.981 4.472 1.00 0.00 H new