USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 988 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 141 HIS :FLIP no HD1:sc=-0.000881 F(o=-4.7,f=-4) USER MOD Set 1.2: A 145 GLN :FLIP amide:sc= -3.96! C(o=-5.4!,f=-4!) USER MOD Set 2.1: A 116 MET CE :methyl -160:sc= -0.0219 (180deg=-0.291) USER MOD Set 2.2: B 548 LYS NZ :NH3+ -148:sc= -0.0197 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.166 K(o=0.17,f=-3.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.093 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.2) USER MOD Single : A 77 SER OG : rot -14:sc= 0.938 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -113:sc= 0.204 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -92:sc= 1.13 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= -0.409 (180deg=-0.731) USER MOD Single : A 90 GLN : amide:sc= -0.373 K(o=-0.37,f=-2.6!) USER MOD Single : A 91 THR OG1 : rot 166:sc= -0.901 USER MOD Single : A 92 LYS NZ :NH3+ -113:sc= -0.774 (180deg=-3.71!) USER MOD Single : A 94 GLN : amide:sc= -0.0725 K(o=-0.073,f=-0.82) USER MOD Single : A 97 THR OG1 : rot -85:sc= -1.52 USER MOD Single : A 100 GLN : amide:sc= 0.0911 X(o=0.091,f=-0.095) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 GLN : amide:sc= -1.04 K(o=-1,f=-3.4!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 37:sc= 0.211 USER MOD Single : A 109 LYS NZ :NH3+ 162:sc=-0.00559 (180deg=-0.154) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 168:sc= -0.0504 (180deg=-0.267) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= 0.0162 X(o=0.016,f=-0.41) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN :FLIP amide:sc= -0.964 F(o=-1.6,f=-0.96) USER MOD Single : A 136 THR OG1 : rot -57:sc= 0.0314 USER MOD Single : B 518 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : B 519 MET CE :methyl 171:sc= 0 (180deg=-0.103) USER MOD Single : B 523 THR OG1 : rot 51:sc= 0.0165 USER MOD Single : B 527 SER OG : rot 180:sc= 0 USER MOD Single : B 529 SER OG : rot 180:sc= 0 USER MOD Single : B 531 ASN : amide:sc= -0.467 X(o=-0.47,f=0.0067) USER MOD Single : B 532 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc= -0.851 X(o=-0.85,f=-1.1) USER MOD Single : B 537 SER OG : rot 180:sc= 0 USER MOD Single : B 541 SER OG : rot 180:sc= 0 USER MOD Single : B 545 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 553 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 GLN : amide:sc= 0.136 X(o=0.14,f=0) USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 -7.824 12.803 -3.992 1.00 74.20 N ATOM 2 CA MET A 69 -6.784 12.386 -4.925 1.00 31.11 C ATOM 3 C MET A 69 -6.420 10.920 -4.715 1.00 50.54 C ATOM 4 O MET A 69 -6.214 10.477 -3.585 1.00 3.54 O ATOM 5 CB MET A 69 -5.540 13.261 -4.760 1.00 33.12 C ATOM 6 CG MET A 69 -4.424 12.922 -5.735 1.00 34.21 C ATOM 7 SD MET A 69 -3.175 14.218 -5.840 1.00 30.11 S ATOM 8 CE MET A 69 -3.626 14.997 -7.389 1.00 32.55 C ATOM 0 HA MET A 69 -7.171 12.504 -5.937 1.00 31.11 H new ATOM 0 HB2 MET A 69 -5.821 14.306 -4.891 1.00 33.12 H new ATOM 0 HB3 MET A 69 -5.165 13.157 -3.742 1.00 33.12 H new ATOM 0 HG2 MET A 69 -3.950 11.990 -5.428 1.00 34.21 H new ATOM 0 HG3 MET A 69 -4.850 12.752 -6.724 1.00 34.21 H new ATOM 0 HE1 MET A 69 -2.943 15.822 -7.594 1.00 32.55 H new ATOM 0 HE2 MET A 69 -3.565 14.266 -8.195 1.00 32.55 H new ATOM 0 HE3 MET A 69 -4.645 15.378 -7.321 1.00 32.55 H new ATOM 18 N ASP A 70 -6.342 10.172 -5.810 1.00 23.23 N ATOM 19 CA ASP A 70 -6.001 8.755 -5.746 1.00 34.14 C ATOM 20 C ASP A 70 -4.489 8.559 -5.727 1.00 65.45 C ATOM 21 O ASP A 70 -3.732 9.465 -6.075 1.00 24.10 O ATOM 22 CB ASP A 70 -6.610 8.009 -6.934 1.00 21.10 C ATOM 23 CG ASP A 70 -8.091 8.286 -7.095 1.00 71.45 C ATOM 24 OD1 ASP A 70 -8.448 9.438 -7.420 1.00 15.14 O ATOM 25 OD2 ASP A 70 -8.894 7.350 -6.898 1.00 53.42 O1- ATOM 0 H ASP A 70 -6.510 10.523 -6.753 1.00 23.23 H new ATOM 0 HA ASP A 70 -6.412 8.349 -4.822 1.00 34.14 H new ATOM 0 HB2 ASP A 70 -6.088 8.298 -7.846 1.00 21.10 H new ATOM 0 HB3 ASP A 70 -6.456 6.938 -6.804 1.00 21.10 H new ATOM 30 N ASN A 71 -4.056 7.372 -5.316 1.00 22.14 N ATOM 31 CA ASN A 71 -2.633 7.059 -5.250 1.00 34.12 C ATOM 32 C ASN A 71 -2.278 5.936 -6.220 1.00 4.12 C ATOM 33 O ASN A 71 -3.139 5.424 -6.935 1.00 65.53 O ATOM 34 CB ASN A 71 -2.244 6.658 -3.825 1.00 71.13 C ATOM 35 CG ASN A 71 -3.024 5.456 -3.328 1.00 0.32 C ATOM 36 OD1 ASN A 71 -4.255 5.442 -3.367 1.00 3.23 O ATOM 37 ND2 ASN A 71 -2.310 4.440 -2.858 1.00 4.42 N ATOM 0 H ASN A 71 -4.669 6.611 -5.024 1.00 22.14 H new ATOM 0 HA ASN A 71 -2.076 7.952 -5.535 1.00 34.12 H new ATOM 0 HB2 ASN A 71 -1.178 6.434 -3.792 1.00 71.13 H new ATOM 0 HB3 ASN A 71 -2.414 7.500 -3.154 1.00 71.13 H new ATOM 0 HD21 ASN A 71 -2.780 3.604 -2.510 1.00 4.42 H new ATOM 0 HD22 ASN A 71 -1.292 4.495 -2.845 1.00 4.42 H new ATOM 44 N SER A 72 -1.004 5.558 -6.239 1.00 3.04 N ATOM 45 CA SER A 72 -0.533 4.499 -7.123 1.00 45.25 C ATOM 46 C SER A 72 0.383 3.534 -6.376 1.00 31.43 C ATOM 47 O SER A 72 0.019 2.385 -6.125 1.00 24.42 O ATOM 48 CB SER A 72 0.207 5.097 -8.321 1.00 33.44 C ATOM 49 OG SER A 72 0.973 4.111 -8.992 1.00 30.22 O ATOM 0 H SER A 72 -0.279 5.970 -5.652 1.00 3.04 H new ATOM 0 HA SER A 72 -1.401 3.945 -7.480 1.00 45.25 H new ATOM 0 HB2 SER A 72 -0.511 5.537 -9.013 1.00 33.44 H new ATOM 0 HB3 SER A 72 0.860 5.902 -7.984 1.00 33.44 H new ATOM 0 HG SER A 72 1.435 4.518 -9.754 1.00 30.22 H new ATOM 55 N ALA A 73 1.572 4.009 -6.024 1.00 32.23 N ATOM 56 CA ALA A 73 2.539 3.191 -5.304 1.00 1.24 C ATOM 57 C ALA A 73 2.986 2.001 -6.145 1.00 73.54 C ATOM 58 O ALA A 73 2.875 0.850 -5.721 1.00 43.12 O ATOM 59 CB ALA A 73 1.949 2.714 -3.985 1.00 50.03 C ATOM 0 H ALA A 73 1.889 4.957 -6.226 1.00 32.23 H new ATOM 0 HA ALA A 73 3.415 3.806 -5.097 1.00 1.24 H new ATOM 0 HB1 ALA A 73 2.682 2.104 -3.458 1.00 50.03 H new ATOM 0 HB2 ALA A 73 1.685 3.576 -3.372 1.00 50.03 H new ATOM 0 HB3 ALA A 73 1.056 2.120 -4.179 1.00 50.03 H new ATOM 65 N SER A 74 3.492 2.285 -7.341 1.00 65.05 N ATOM 66 CA SER A 74 3.952 1.238 -8.246 1.00 24.22 C ATOM 67 C SER A 74 5.349 0.760 -7.859 1.00 51.35 C ATOM 68 O SER A 74 5.900 1.177 -6.838 1.00 13.12 O ATOM 69 CB SER A 74 3.956 1.746 -9.688 1.00 11.40 C ATOM 70 OG SER A 74 4.093 0.674 -10.606 1.00 64.15 O ATOM 0 H SER A 74 3.594 3.232 -7.706 1.00 65.05 H new ATOM 0 HA SER A 74 3.264 0.396 -8.167 1.00 24.22 H new ATOM 0 HB2 SER A 74 3.031 2.285 -9.889 1.00 11.40 H new ATOM 0 HB3 SER A 74 4.774 2.453 -9.825 1.00 11.40 H new ATOM 0 HG SER A 74 4.091 1.025 -11.521 1.00 64.15 H new ATOM 76 N LYS A 75 5.917 -0.115 -8.681 1.00 51.20 N ATOM 77 CA LYS A 75 7.250 -0.649 -8.428 1.00 61.13 C ATOM 78 C LYS A 75 8.054 -0.741 -9.722 1.00 14.21 C ATOM 79 O LYS A 75 7.490 -0.730 -10.815 1.00 53.03 O ATOM 80 CB LYS A 75 7.153 -2.030 -7.777 1.00 4.54 C ATOM 81 CG LYS A 75 8.359 -2.387 -6.925 1.00 70.10 C ATOM 82 CD LYS A 75 8.504 -1.445 -5.741 1.00 22.54 C ATOM 83 CE LYS A 75 9.233 -2.112 -4.585 1.00 42.01 C ATOM 84 NZ LYS A 75 8.312 -2.921 -3.741 1.00 3.24 N1+ ATOM 0 H LYS A 75 5.475 -0.470 -9.529 1.00 51.20 H new ATOM 0 HA LYS A 75 7.764 0.031 -7.749 1.00 61.13 H new ATOM 0 HB2 LYS A 75 6.257 -2.068 -7.158 1.00 4.54 H new ATOM 0 HB3 LYS A 75 7.034 -2.782 -8.557 1.00 4.54 H new ATOM 0 HG2 LYS A 75 8.262 -3.412 -6.566 1.00 70.10 H new ATOM 0 HG3 LYS A 75 9.261 -2.347 -7.535 1.00 70.10 H new ATOM 0 HD2 LYS A 75 9.048 -0.552 -6.049 1.00 22.54 H new ATOM 0 HD3 LYS A 75 7.518 -1.119 -5.411 1.00 22.54 H new ATOM 0 HE2 LYS A 75 10.024 -2.752 -4.976 1.00 42.01 H new ATOM 0 HE3 LYS A 75 9.713 -1.350 -3.971 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 8.847 -3.359 -2.964 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 7.572 -2.306 -3.347 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 7.873 -3.664 -4.321 1.00 3.24 H new ATOM 98 N ASN A 76 9.372 -0.832 -9.587 1.00 3.42 N ATOM 99 CA ASN A 76 10.254 -0.927 -10.746 1.00 15.21 C ATOM 100 C ASN A 76 11.290 -2.029 -10.552 1.00 1.14 C ATOM 101 O ASN A 76 11.300 -2.714 -9.529 1.00 24.43 O ATOM 102 CB ASN A 76 10.955 0.411 -10.990 1.00 52.35 C ATOM 103 CG ASN A 76 11.856 0.811 -9.837 1.00 1.44 C ATOM 104 OD1 ASN A 76 12.859 0.151 -9.561 1.00 51.55 O ATOM 105 ND2 ASN A 76 11.501 1.895 -9.158 1.00 51.31 N ATOM 0 H ASN A 76 9.854 -0.842 -8.688 1.00 3.42 H new ATOM 0 HA ASN A 76 9.645 -1.175 -11.616 1.00 15.21 H new ATOM 0 HB2 ASN A 76 11.546 0.347 -11.904 1.00 52.35 H new ATOM 0 HB3 ASN A 76 10.206 1.187 -11.148 1.00 52.35 H new ATOM 0 HD21 ASN A 76 12.068 2.212 -8.372 1.00 51.31 H new ATOM 0 HD22 ASN A 76 10.662 2.410 -9.423 1.00 51.31 H new ATOM 112 N SER A 77 12.162 -2.195 -11.542 1.00 4.44 N ATOM 113 CA SER A 77 13.202 -3.216 -11.482 1.00 12.05 C ATOM 114 C SER A 77 14.324 -2.906 -12.468 1.00 25.02 C ATOM 115 O SER A 77 14.296 -1.887 -13.158 1.00 34.10 O ATOM 116 CB SER A 77 12.610 -4.594 -11.783 1.00 2.00 C ATOM 117 OG SER A 77 11.624 -4.945 -10.828 1.00 22.15 O ATOM 0 H SER A 77 12.169 -1.636 -12.395 1.00 4.44 H new ATOM 0 HA SER A 77 13.617 -3.219 -10.474 1.00 12.05 H new ATOM 0 HB2 SER A 77 12.171 -4.595 -12.781 1.00 2.00 H new ATOM 0 HB3 SER A 77 13.403 -5.342 -11.783 1.00 2.00 H new ATOM 0 HG SER A 77 11.686 -4.343 -10.057 1.00 22.15 H new ATOM 123 N ALA A 78 15.313 -3.792 -12.527 1.00 22.23 N ATOM 124 CA ALA A 78 16.445 -3.616 -13.428 1.00 11.51 C ATOM 125 C ALA A 78 16.639 -4.844 -14.312 1.00 34.52 C ATOM 126 O ALA A 78 16.778 -5.962 -13.815 1.00 71.44 O ATOM 127 CB ALA A 78 17.710 -3.328 -12.635 1.00 23.42 C ATOM 0 H ALA A 78 15.353 -4.640 -11.961 1.00 22.23 H new ATOM 0 HA ALA A 78 16.234 -2.765 -14.076 1.00 11.51 H new ATOM 0 HB1 ALA A 78 18.548 -3.199 -13.320 1.00 23.42 H new ATOM 0 HB2 ALA A 78 17.574 -2.417 -12.052 1.00 23.42 H new ATOM 0 HB3 ALA A 78 17.916 -4.161 -11.963 1.00 23.42 H new ATOM 133 N ILE A 79 16.646 -4.628 -15.623 1.00 74.14 N ATOM 134 CA ILE A 79 16.825 -5.717 -16.575 1.00 71.01 C ATOM 135 C ILE A 79 17.892 -5.375 -17.609 1.00 71.13 C ATOM 136 O ILE A 79 18.697 -6.226 -17.990 1.00 10.44 O ATOM 137 CB ILE A 79 15.509 -6.049 -17.303 1.00 31.22 C ATOM 138 CG1 ILE A 79 14.413 -6.394 -16.292 1.00 14.41 C ATOM 139 CG2 ILE A 79 15.718 -7.197 -18.279 1.00 3.00 C ATOM 140 CD1 ILE A 79 13.049 -6.580 -16.919 1.00 1.13 C ATOM 0 H ILE A 79 16.530 -3.709 -16.050 1.00 74.14 H new ATOM 0 HA ILE A 79 17.144 -6.587 -16.002 1.00 71.01 H new ATOM 0 HB ILE A 79 15.193 -5.172 -17.867 1.00 31.22 H new ATOM 0 HG12 ILE A 79 14.690 -7.308 -15.766 1.00 14.41 H new ATOM 0 HG13 ILE A 79 14.356 -5.602 -15.546 1.00 14.41 H new ATOM 0 HG21 ILE A 79 14.779 -7.420 -18.785 1.00 3.00 H new ATOM 0 HG22 ILE A 79 16.470 -6.916 -19.016 1.00 3.00 H new ATOM 0 HG23 ILE A 79 16.055 -8.080 -17.736 1.00 3.00 H new ATOM 0 HD11 ILE A 79 12.322 -6.822 -16.144 1.00 1.13 H new ATOM 0 HD12 ILE A 79 12.751 -5.660 -17.421 1.00 1.13 H new ATOM 0 HD13 ILE A 79 13.090 -7.392 -17.645 1.00 1.13 H new ATOM 152 N SER A 80 17.895 -4.124 -18.057 1.00 54.20 N ATOM 153 CA SER A 80 18.864 -3.670 -19.048 1.00 1.35 C ATOM 154 C SER A 80 20.286 -4.007 -18.613 1.00 11.25 C ATOM 155 O SER A 80 20.543 -4.259 -17.435 1.00 61.02 O ATOM 156 CB SER A 80 18.730 -2.161 -19.268 1.00 45.00 C ATOM 157 OG SER A 80 19.390 -1.436 -18.246 1.00 4.14 O ATOM 0 H SER A 80 17.238 -3.407 -17.750 1.00 54.20 H new ATOM 0 HA SER A 80 18.658 -4.187 -19.985 1.00 1.35 H new ATOM 0 HB2 SER A 80 19.150 -1.893 -20.237 1.00 45.00 H new ATOM 0 HB3 SER A 80 17.676 -1.886 -19.290 1.00 45.00 H new ATOM 0 HG SER A 80 19.291 -0.475 -18.410 1.00 4.14 H new ATOM 163 N SER A 81 21.207 -4.009 -19.570 1.00 72.10 N ATOM 164 CA SER A 81 22.603 -4.319 -19.288 1.00 3.34 C ATOM 165 C SER A 81 23.529 -3.288 -19.926 1.00 74.11 C ATOM 166 O SER A 81 23.076 -2.267 -20.443 1.00 52.22 O ATOM 167 CB SER A 81 22.951 -5.719 -19.800 1.00 32.25 C ATOM 168 OG SER A 81 24.187 -6.164 -19.268 1.00 4.53 O ATOM 0 H SER A 81 21.011 -3.799 -20.549 1.00 72.10 H new ATOM 0 HA SER A 81 22.744 -4.289 -18.208 1.00 3.34 H new ATOM 0 HB2 SER A 81 22.161 -6.417 -19.525 1.00 32.25 H new ATOM 0 HB3 SER A 81 23.003 -5.709 -20.889 1.00 32.25 H new ATOM 0 HG SER A 81 24.847 -6.235 -19.989 1.00 4.53 H new ATOM 174 N SER A 82 24.829 -3.562 -19.885 1.00 64.12 N ATOM 175 CA SER A 82 25.820 -2.657 -20.455 1.00 73.52 C ATOM 176 C SER A 82 25.923 -2.845 -21.965 1.00 10.43 C ATOM 177 O SER A 82 26.940 -3.318 -22.474 1.00 22.43 O ATOM 178 CB SER A 82 27.186 -2.888 -19.806 1.00 44.04 C ATOM 179 OG SER A 82 28.112 -1.889 -20.197 1.00 54.11 O ATOM 0 H SER A 82 25.221 -4.404 -19.463 1.00 64.12 H new ATOM 0 HA SER A 82 25.499 -1.635 -20.255 1.00 73.52 H new ATOM 0 HB2 SER A 82 27.081 -2.887 -18.721 1.00 44.04 H new ATOM 0 HB3 SER A 82 27.565 -3.870 -20.089 1.00 44.04 H new ATOM 0 HG SER A 82 28.977 -2.058 -19.768 1.00 54.11 H new ATOM 185 N ILE A 83 24.864 -2.473 -22.676 1.00 3.54 N ATOM 186 CA ILE A 83 24.835 -2.601 -24.127 1.00 1.04 C ATOM 187 C ILE A 83 25.350 -1.333 -24.800 1.00 52.44 C ATOM 188 O ILE A 83 25.917 -1.384 -25.892 1.00 74.14 O ATOM 189 CB ILE A 83 23.413 -2.897 -24.639 1.00 20.12 C ATOM 190 CG1 ILE A 83 22.790 -4.046 -23.842 1.00 73.13 C ATOM 191 CG2 ILE A 83 23.442 -3.230 -26.122 1.00 13.24 C ATOM 192 CD1 ILE A 83 23.549 -5.348 -23.966 1.00 71.04 C ATOM 0 H ILE A 83 24.015 -2.080 -22.270 1.00 3.54 H new ATOM 0 HA ILE A 83 25.486 -3.437 -24.383 1.00 1.04 H new ATOM 0 HB ILE A 83 22.800 -2.007 -24.499 1.00 20.12 H new ATOM 0 HG12 ILE A 83 22.740 -3.763 -22.791 1.00 73.13 H new ATOM 0 HG13 ILE A 83 21.765 -4.199 -24.180 1.00 73.13 H new ATOM 0 HG21 ILE A 83 22.429 -3.437 -26.468 1.00 13.24 H new ATOM 0 HG22 ILE A 83 23.850 -2.385 -26.677 1.00 13.24 H new ATOM 0 HG23 ILE A 83 24.068 -4.107 -26.286 1.00 13.24 H new ATOM 0 HD11 ILE A 83 23.051 -6.117 -23.376 1.00 71.04 H new ATOM 0 HD12 ILE A 83 23.577 -5.655 -25.012 1.00 71.04 H new ATOM 0 HD13 ILE A 83 24.567 -5.212 -23.600 1.00 71.04 H new ATOM 204 N PHE A 84 25.151 -0.197 -24.141 1.00 22.43 N ATOM 205 CA PHE A 84 25.597 1.085 -24.676 1.00 52.22 C ATOM 206 C PHE A 84 27.062 1.018 -25.096 1.00 1.23 C ATOM 207 O PHE A 84 27.476 1.679 -26.049 1.00 0.11 O ATOM 208 CB PHE A 84 25.402 2.190 -23.635 1.00 51.20 C ATOM 209 CG PHE A 84 23.962 2.536 -23.390 1.00 42.14 C ATOM 210 CD1 PHE A 84 23.379 2.301 -22.155 1.00 24.13 C ATOM 211 CD2 PHE A 84 23.190 3.097 -24.395 1.00 23.11 C ATOM 212 CE1 PHE A 84 22.053 2.619 -21.927 1.00 43.41 C ATOM 213 CE2 PHE A 84 21.865 3.417 -24.173 1.00 3.54 C ATOM 214 CZ PHE A 84 21.295 3.177 -22.937 1.00 63.45 C ATOM 0 H PHE A 84 24.684 -0.137 -23.236 1.00 22.43 H new ATOM 0 HA PHE A 84 24.996 1.314 -25.556 1.00 52.22 H new ATOM 0 HB2 PHE A 84 25.857 1.877 -22.695 1.00 51.20 H new ATOM 0 HB3 PHE A 84 25.931 3.085 -23.963 1.00 51.20 H new ATOM 0 HD1 PHE A 84 23.967 1.864 -21.361 1.00 24.13 H new ATOM 0 HD2 PHE A 84 23.630 3.286 -25.363 1.00 23.11 H new ATOM 0 HE1 PHE A 84 21.611 2.431 -20.960 1.00 43.41 H new ATOM 0 HE2 PHE A 84 21.275 3.854 -24.965 1.00 3.54 H new ATOM 0 HZ PHE A 84 20.259 3.425 -22.762 1.00 63.45 H new ATOM 224 N CYS A 85 27.842 0.218 -24.378 1.00 41.44 N ATOM 225 CA CYS A 85 29.262 0.066 -24.675 1.00 10.24 C ATOM 226 C CYS A 85 29.475 -0.289 -26.143 1.00 23.33 C ATOM 227 O CYS A 85 30.514 0.027 -26.723 1.00 44.32 O ATOM 228 CB CYS A 85 29.878 -1.012 -23.782 1.00 12.32 C ATOM 229 SG CYS A 85 29.398 -2.698 -24.221 1.00 24.32 S ATOM 0 H CYS A 85 27.515 -0.336 -23.586 1.00 41.44 H new ATOM 0 HA CYS A 85 29.754 1.018 -24.475 1.00 10.24 H new ATOM 0 HB2 CYS A 85 30.964 -0.931 -23.830 1.00 12.32 H new ATOM 0 HB3 CYS A 85 29.589 -0.821 -22.748 1.00 12.32 H new ATOM 0 HG CYS A 85 28.346 -3.041 -23.539 1.00 24.32 H new ATOM 235 N GLU A 86 28.486 -0.950 -26.736 1.00 41.31 N ATOM 236 CA GLU A 86 28.567 -1.350 -28.137 1.00 23.33 C ATOM 237 C GLU A 86 28.115 -0.217 -29.054 1.00 54.43 C ATOM 238 O GLU A 86 28.588 -0.090 -30.183 1.00 14.41 O ATOM 239 CB GLU A 86 27.713 -2.595 -28.384 1.00 70.34 C ATOM 240 CG GLU A 86 28.242 -3.484 -29.496 1.00 12.31 C ATOM 241 CD GLU A 86 27.551 -4.834 -29.542 1.00 71.01 C ATOM 242 OE1 GLU A 86 27.568 -5.471 -30.616 1.00 12.02 O ATOM 243 OE2 GLU A 86 26.993 -5.250 -28.507 1.00 72.23 O1- ATOM 0 H GLU A 86 27.620 -1.220 -26.269 1.00 41.31 H new ATOM 0 HA GLU A 86 29.608 -1.582 -28.363 1.00 23.33 H new ATOM 0 HB2 GLU A 86 27.656 -3.175 -27.463 1.00 70.34 H new ATOM 0 HB3 GLU A 86 26.697 -2.286 -28.630 1.00 70.34 H new ATOM 0 HG2 GLU A 86 28.110 -2.980 -30.453 1.00 12.31 H new ATOM 0 HG3 GLU A 86 29.313 -3.633 -29.359 1.00 12.31 H new ATOM 250 N LYS A 87 27.194 0.604 -28.559 1.00 3.45 N ATOM 251 CA LYS A 87 26.676 1.727 -29.333 1.00 44.40 C ATOM 252 C LYS A 87 27.815 2.579 -29.883 1.00 54.55 C ATOM 253 O LYS A 87 27.665 3.244 -30.909 1.00 13.23 O ATOM 254 CB LYS A 87 25.755 2.587 -28.465 1.00 41.11 C ATOM 255 CG LYS A 87 24.489 1.871 -28.026 1.00 30.21 C ATOM 256 CD LYS A 87 23.496 1.744 -29.168 1.00 62.43 C ATOM 257 CE LYS A 87 22.125 1.313 -28.670 1.00 44.42 C ATOM 258 NZ LYS A 87 21.065 1.545 -29.690 1.00 70.52 N1+ ATOM 0 H LYS A 87 26.791 0.513 -27.626 1.00 3.45 H new ATOM 0 HA LYS A 87 26.107 1.327 -30.172 1.00 44.40 H new ATOM 0 HB2 LYS A 87 26.303 2.913 -27.581 1.00 41.11 H new ATOM 0 HB3 LYS A 87 25.481 3.485 -29.019 1.00 41.11 H new ATOM 0 HG2 LYS A 87 24.742 0.879 -27.651 1.00 30.21 H new ATOM 0 HG3 LYS A 87 24.029 2.416 -27.202 1.00 30.21 H new ATOM 0 HD2 LYS A 87 23.412 2.699 -29.686 1.00 62.43 H new ATOM 0 HD3 LYS A 87 23.865 1.019 -29.893 1.00 62.43 H new ATOM 0 HE2 LYS A 87 22.150 0.256 -28.407 1.00 44.42 H new ATOM 0 HE3 LYS A 87 21.880 1.862 -27.761 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 20.146 1.238 -29.312 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.023 2.558 -29.923 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 21.285 1.001 -30.549 1.00 70.52 H new ATOM 272 N TYR A 88 28.952 2.554 -29.197 1.00 73.21 N ATOM 273 CA TYR A 88 30.116 3.325 -29.618 1.00 74.10 C ATOM 274 C TYR A 88 30.400 3.116 -31.102 1.00 50.10 C ATOM 275 O TYR A 88 30.897 4.013 -31.784 1.00 0.51 O ATOM 276 CB TYR A 88 31.341 2.931 -28.792 1.00 0.31 C ATOM 277 CG TYR A 88 32.100 1.753 -29.359 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.535 0.484 -29.382 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.382 1.909 -29.871 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.226 -0.596 -29.898 1.00 5.54 C ATOM 281 CE2 TYR A 88 34.079 0.835 -30.391 1.00 45.43 C ATOM 282 CZ TYR A 88 33.496 -0.415 -30.402 1.00 51.51 C ATOM 283 OH TYR A 88 34.188 -1.487 -30.918 1.00 33.11 O ATOM 0 H TYR A 88 29.093 2.008 -28.347 1.00 73.21 H new ATOM 0 HA TYR A 88 29.900 4.381 -29.453 1.00 74.10 H new ATOM 0 HB2 TYR A 88 32.013 3.786 -28.723 1.00 0.31 H new ATOM 0 HB3 TYR A 88 31.023 2.693 -27.777 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.539 0.339 -28.990 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.842 2.886 -29.862 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.773 -1.576 -29.906 1.00 5.54 H new ATOM 0 HE2 TYR A 88 35.074 0.974 -30.786 1.00 45.43 H new ATOM 0 HH TYR A 88 35.067 -1.188 -31.232 1.00 33.11 H new ATOM 293 N LYS A 89 30.082 1.925 -31.597 1.00 34.53 N ATOM 294 CA LYS A 89 30.301 1.596 -33.000 1.00 32.43 C ATOM 295 C LYS A 89 29.382 2.415 -33.901 1.00 22.43 C ATOM 296 O LYS A 89 29.848 3.190 -34.735 1.00 3.10 O ATOM 297 CB LYS A 89 30.065 0.102 -33.237 1.00 53.34 C ATOM 298 CG LYS A 89 30.531 -0.379 -34.600 1.00 63.43 C ATOM 299 CD LYS A 89 29.412 -0.313 -35.627 1.00 14.45 C ATOM 300 CE LYS A 89 28.648 -1.625 -35.703 1.00 72.22 C ATOM 301 NZ LYS A 89 27.806 -1.847 -34.495 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.671 1.171 -31.047 1.00 34.53 H new ATOM 0 HA LYS A 89 31.334 1.839 -33.247 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.583 -0.466 -32.464 1.00 53.34 H new ATOM 0 HB3 LYS A 89 29.001 -0.111 -33.130 1.00 53.34 H new ATOM 0 HG2 LYS A 89 31.370 0.231 -34.935 1.00 63.43 H new ATOM 0 HG3 LYS A 89 30.894 -1.404 -34.521 1.00 63.43 H new ATOM 0 HD2 LYS A 89 28.726 0.494 -35.368 1.00 14.45 H new ATOM 0 HD3 LYS A 89 29.829 -0.076 -36.606 1.00 14.45 H new ATOM 0 HE2 LYS A 89 28.016 -1.627 -36.591 1.00 72.22 H new ATOM 0 HE3 LYS A 89 29.352 -2.450 -35.811 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 27.130 -2.615 -34.680 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 28.413 -2.106 -33.691 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 27.286 -0.975 -34.269 1.00 43.33 H new ATOM 315 N GLN A 90 28.076 2.238 -33.725 1.00 2.13 N ATOM 316 CA GLN A 90 27.094 2.963 -34.522 1.00 14.13 C ATOM 317 C GLN A 90 27.325 4.468 -34.434 1.00 2.13 C ATOM 318 O GLN A 90 27.258 5.178 -35.438 1.00 41.43 O ATOM 319 CB GLN A 90 25.677 2.624 -34.055 1.00 44.13 C ATOM 320 CG GLN A 90 24.635 2.717 -35.157 1.00 72.41 C ATOM 321 CD GLN A 90 24.696 1.545 -36.118 1.00 65.22 C ATOM 322 OE1 GLN A 90 25.679 1.371 -36.841 1.00 14.22 O ATOM 323 NE2 GLN A 90 23.646 0.734 -36.132 1.00 61.02 N ATOM 0 H GLN A 90 27.674 1.600 -33.038 1.00 2.13 H new ATOM 0 HA GLN A 90 27.210 2.657 -35.562 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.670 1.614 -33.645 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.399 3.299 -33.246 1.00 44.13 H new ATOM 0 HG2 GLN A 90 23.642 2.764 -34.710 1.00 72.41 H new ATOM 0 HG3 GLN A 90 24.779 3.644 -35.711 1.00 72.41 H new ATOM 0 HE21 GLN A 90 22.853 0.915 -35.516 1.00 61.02 H new ATOM 0 HE22 GLN A 90 23.632 -0.071 -36.758 1.00 61.02 H new ATOM 332 N THR A 91 27.598 4.951 -33.226 1.00 22.11 N ATOM 333 CA THR A 91 27.837 6.371 -33.006 1.00 23.40 C ATOM 334 C THR A 91 29.034 6.859 -33.815 1.00 53.31 C ATOM 335 O THR A 91 28.926 7.804 -34.595 1.00 13.14 O ATOM 336 CB THR A 91 28.079 6.677 -31.516 1.00 43.34 C ATOM 337 OG1 THR A 91 29.220 5.950 -31.046 1.00 21.23 O ATOM 338 CG2 THR A 91 26.861 6.310 -30.683 1.00 21.32 C ATOM 0 H THR A 91 27.659 4.378 -32.384 1.00 22.11 H new ATOM 0 HA THR A 91 26.941 6.897 -33.335 1.00 23.40 H new ATOM 0 HB THR A 91 28.261 7.747 -31.413 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.504 6.311 -30.180 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.056 6.535 -29.634 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.000 6.886 -31.024 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.652 5.246 -30.793 1.00 21.32 H new ATOM 346 N LYS A 92 30.175 6.207 -33.624 1.00 31.12 N ATOM 347 CA LYS A 92 31.394 6.571 -34.336 1.00 63.03 C ATOM 348 C LYS A 92 31.147 6.632 -35.841 1.00 75.23 C ATOM 349 O LYS A 92 31.554 7.583 -36.507 1.00 51.33 O ATOM 350 CB LYS A 92 32.508 5.567 -34.031 1.00 4.45 C ATOM 351 CG LYS A 92 33.885 6.034 -34.468 1.00 1.42 C ATOM 352 CD LYS A 92 34.936 5.743 -33.410 1.00 63.25 C ATOM 353 CE LYS A 92 34.781 6.656 -32.204 1.00 65.32 C ATOM 354 NZ LYS A 92 35.978 7.519 -32.005 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.281 5.422 -32.981 1.00 31.12 H new ATOM 0 HA LYS A 92 31.702 7.559 -33.995 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.524 5.370 -32.959 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.280 4.623 -34.526 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.159 5.539 -35.400 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.859 7.105 -34.671 1.00 1.42 H new ATOM 0 HD2 LYS A 92 34.856 4.703 -33.093 1.00 63.25 H new ATOM 0 HD3 LYS A 92 35.930 5.870 -33.839 1.00 63.25 H new ATOM 0 HE2 LYS A 92 33.899 7.283 -32.334 1.00 65.32 H new ATOM 0 HE3 LYS A 92 34.615 6.053 -31.311 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 36.461 7.246 -31.125 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 36.629 7.401 -32.808 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 35.682 8.514 -31.943 1.00 44.20 H new ATOM 368 N GLU A 93 30.479 5.611 -36.368 1.00 42.21 N ATOM 369 CA GLU A 93 30.178 5.551 -37.793 1.00 71.42 C ATOM 370 C GLU A 93 29.326 6.742 -38.221 1.00 60.11 C ATOM 371 O GLU A 93 29.591 7.371 -39.244 1.00 73.42 O ATOM 372 CB GLU A 93 29.454 4.245 -38.128 1.00 74.41 C ATOM 373 CG GLU A 93 29.714 3.751 -39.543 1.00 73.24 C ATOM 374 CD GLU A 93 28.535 2.991 -40.120 1.00 1.03 C ATOM 375 OE1 GLU A 93 28.285 3.123 -41.337 1.00 63.11 O ATOM 376 OE2 GLU A 93 27.864 2.266 -39.357 1.00 60.10 O1- ATOM 0 H GLU A 93 30.136 4.815 -35.830 1.00 42.21 H new ATOM 0 HA GLU A 93 31.121 5.587 -38.339 1.00 71.42 H new ATOM 0 HB2 GLU A 93 29.764 3.476 -37.421 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.382 4.389 -37.993 1.00 74.41 H new ATOM 0 HG2 GLU A 93 29.943 4.602 -40.185 1.00 73.24 H new ATOM 0 HG3 GLU A 93 30.593 3.106 -39.543 1.00 73.24 H new ATOM 383 N GLN A 94 28.301 7.044 -37.429 1.00 40.54 N ATOM 384 CA GLN A 94 27.410 8.159 -37.726 1.00 30.21 C ATOM 385 C GLN A 94 28.171 9.480 -37.722 1.00 52.42 C ATOM 386 O GLN A 94 27.858 10.390 -38.491 1.00 15.43 O ATOM 387 CB GLN A 94 26.269 8.211 -36.709 1.00 23.31 C ATOM 388 CG GLN A 94 25.188 7.170 -36.954 1.00 1.33 C ATOM 389 CD GLN A 94 23.868 7.534 -36.301 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.233 8.522 -36.668 1.00 50.12 O ATOM 391 NE2 GLN A 94 23.450 6.733 -35.327 1.00 14.24 N ATOM 0 H GLN A 94 28.068 6.532 -36.578 1.00 40.54 H new ATOM 0 HA GLN A 94 26.994 8.004 -38.721 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.678 8.069 -35.709 1.00 23.31 H new ATOM 0 HB3 GLN A 94 25.818 9.203 -36.731 1.00 23.31 H new ATOM 0 HG2 GLN A 94 25.038 7.053 -38.027 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.524 6.206 -36.572 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.010 5.925 -35.056 1.00 14.24 H new ATOM 0 HE22 GLN A 94 22.569 6.926 -34.850 1.00 14.24 H new ATOM 400 N ALA A 95 29.170 9.579 -36.852 1.00 25.00 N ATOM 401 CA ALA A 95 29.977 10.789 -36.749 1.00 45.15 C ATOM 402 C ALA A 95 30.833 10.986 -37.995 1.00 70.10 C ATOM 403 O ALA A 95 30.704 11.988 -38.700 1.00 11.14 O ATOM 404 CB ALA A 95 30.853 10.736 -35.508 1.00 72.43 C ATOM 0 H ALA A 95 29.440 8.836 -36.208 1.00 25.00 H new ATOM 0 HA ALA A 95 29.301 11.640 -36.666 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.450 11.646 -35.445 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.224 10.652 -34.622 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.515 9.872 -35.566 1.00 72.43 H new ATOM 410 N LEU A 96 31.709 10.023 -38.263 1.00 21.34 N ATOM 411 CA LEU A 96 32.589 10.090 -39.425 1.00 71.41 C ATOM 412 C LEU A 96 31.784 10.276 -40.707 1.00 65.14 C ATOM 413 O LEU A 96 32.196 11.002 -41.612 1.00 60.24 O ATOM 414 CB LEU A 96 33.437 8.820 -39.521 1.00 41.41 C ATOM 415 CG LEU A 96 32.677 7.497 -39.414 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.226 7.027 -40.789 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.543 6.439 -38.744 1.00 62.41 C ATOM 0 H LEU A 96 31.829 9.187 -37.691 1.00 21.34 H new ATOM 0 HA LEU A 96 33.247 10.950 -39.303 1.00 71.41 H new ATOM 0 HB2 LEU A 96 33.970 8.834 -40.472 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.189 8.849 -38.733 1.00 41.41 H new ATOM 0 HG LEU A 96 31.791 7.657 -38.799 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.687 6.084 -40.693 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.570 7.776 -41.233 1.00 0.51 H new ATOM 0 HD13 LEU A 96 33.097 6.883 -41.428 1.00 0.51 H new ATOM 0 HD21 LEU A 96 32.987 5.504 -38.676 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.447 6.282 -39.333 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.816 6.773 -37.743 1.00 62.41 H new ATOM 429 N THR A 97 30.631 9.616 -40.778 1.00 53.12 N ATOM 430 CA THR A 97 29.767 9.710 -41.948 1.00 4.23 C ATOM 431 C THR A 97 29.254 11.133 -42.141 1.00 42.31 C ATOM 432 O THR A 97 29.322 11.684 -43.239 1.00 43.35 O ATOM 433 CB THR A 97 28.565 8.753 -41.837 1.00 75.23 C ATOM 434 OG1 THR A 97 27.966 8.869 -40.542 1.00 52.14 O ATOM 435 CG2 THR A 97 28.996 7.314 -42.076 1.00 3.45 C ATOM 0 H THR A 97 30.275 9.011 -40.038 1.00 53.12 H new ATOM 0 HA THR A 97 30.370 9.425 -42.810 1.00 4.23 H new ATOM 0 HB THR A 97 27.836 9.028 -42.600 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.439 8.288 -39.910 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.131 6.656 -41.993 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.426 7.224 -43.074 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.741 7.029 -41.333 1.00 3.45 H new ATOM 443 N PHE A 98 28.742 11.722 -41.066 1.00 64.32 N ATOM 444 CA PHE A 98 28.216 13.082 -41.116 1.00 20.12 C ATOM 445 C PHE A 98 29.347 14.096 -41.265 1.00 70.44 C ATOM 446 O PHE A 98 29.145 15.196 -41.782 1.00 24.53 O ATOM 447 CB PHE A 98 27.406 13.385 -39.855 1.00 4.32 C ATOM 448 CG PHE A 98 27.966 14.517 -39.041 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.636 15.830 -39.337 1.00 53.24 C ATOM 450 CD2 PHE A 98 28.822 14.268 -37.980 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.148 16.874 -38.589 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.338 15.308 -37.229 1.00 2.32 C ATOM 453 CZ PHE A 98 29.002 16.612 -37.535 1.00 14.52 C ATOM 0 H PHE A 98 28.680 11.279 -40.149 1.00 64.32 H new ATOM 0 HA PHE A 98 27.563 13.161 -41.985 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.381 13.625 -40.140 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.364 12.489 -39.236 1.00 4.32 H new ATOM 0 HD1 PHE A 98 26.971 16.040 -40.162 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.089 13.250 -37.737 1.00 24.22 H new ATOM 0 HE1 PHE A 98 27.881 17.893 -38.828 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.003 15.101 -36.404 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.406 17.426 -36.951 1.00 14.52 H new ATOM 463 N PHE A 99 30.536 13.720 -40.808 1.00 61.53 N ATOM 464 CA PHE A 99 31.699 14.595 -40.888 1.00 61.41 C ATOM 465 C PHE A 99 32.314 14.556 -42.283 1.00 60.30 C ATOM 466 O PHE A 99 32.789 15.571 -42.792 1.00 64.11 O ATOM 467 CB PHE A 99 32.743 14.189 -39.845 1.00 43.00 C ATOM 468 CG PHE A 99 33.975 15.048 -39.865 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.236 14.474 -39.905 1.00 21.55 C ATOM 470 CD2 PHE A 99 33.872 16.430 -39.842 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.371 15.262 -39.924 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.005 17.222 -39.860 1.00 44.24 C ATOM 473 CZ PHE A 99 36.256 16.637 -39.900 1.00 54.34 C ATOM 0 H PHE A 99 30.720 12.814 -40.378 1.00 61.53 H new ATOM 0 HA PHE A 99 31.370 15.614 -40.684 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.292 14.237 -38.854 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.030 13.151 -40.015 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.333 13.398 -39.922 1.00 21.55 H new ATOM 0 HD2 PHE A 99 32.897 16.893 -39.810 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.348 14.802 -39.958 1.00 40.42 H new ATOM 0 HE2 PHE A 99 34.912 18.298 -39.843 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.142 17.254 -39.912 1.00 54.34 H new ATOM 483 N GLN A 100 32.305 13.376 -42.894 1.00 31.14 N ATOM 484 CA GLN A 100 32.863 13.203 -44.231 1.00 2.22 C ATOM 485 C GLN A 100 31.851 13.604 -45.299 1.00 64.05 C ATOM 486 O GLN A 100 32.216 14.162 -46.334 1.00 14.00 O ATOM 487 CB GLN A 100 33.298 11.752 -44.441 1.00 53.03 C ATOM 488 CG GLN A 100 32.135 10.781 -44.569 1.00 64.35 C ATOM 489 CD GLN A 100 32.573 9.332 -44.492 1.00 33.11 C ATOM 490 OE1 GLN A 100 32.330 8.549 -45.410 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.224 8.968 -43.393 1.00 14.41 N ATOM 0 H GLN A 100 31.918 12.525 -42.485 1.00 31.14 H new ATOM 0 HA GLN A 100 33.734 13.852 -44.321 1.00 2.22 H new ATOM 0 HB2 GLN A 100 33.912 11.692 -45.340 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.926 11.445 -43.605 1.00 53.03 H new ATOM 0 HG2 GLN A 100 31.412 10.980 -43.778 1.00 64.35 H new ATOM 0 HG3 GLN A 100 31.626 10.953 -45.517 1.00 64.35 H new ATOM 0 HE21 GLN A 100 33.404 9.651 -42.657 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.544 8.006 -43.285 1.00 14.41 H new ATOM 500 N GLU A 101 30.579 13.315 -45.041 1.00 35.51 N ATOM 501 CA GLU A 101 29.516 13.644 -45.983 1.00 4.42 C ATOM 502 C GLU A 101 29.224 15.142 -45.971 1.00 73.11 C ATOM 503 O GLU A 101 28.979 15.747 -47.016 1.00 13.41 O ATOM 504 CB GLU A 101 28.245 12.863 -45.645 1.00 74.32 C ATOM 505 CG GLU A 101 27.205 12.886 -46.752 1.00 62.12 C ATOM 506 CD GLU A 101 27.463 11.839 -47.817 1.00 61.35 C ATOM 507 OE1 GLU A 101 28.559 11.862 -48.416 1.00 22.34 O ATOM 508 OE2 GLU A 101 26.572 10.998 -48.053 1.00 61.22 O1- ATOM 0 H GLU A 101 30.260 12.854 -44.189 1.00 35.51 H new ATOM 0 HA GLU A 101 29.851 13.364 -46.982 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.511 11.828 -45.429 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.806 13.275 -44.737 1.00 74.32 H new ATOM 0 HG2 GLU A 101 26.217 12.724 -46.321 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.193 13.873 -47.214 1.00 62.12 H new ATOM 515 N HIS A 102 29.252 15.735 -44.782 1.00 15.43 N ATOM 516 CA HIS A 102 28.989 17.162 -44.633 1.00 21.40 C ATOM 517 C HIS A 102 30.051 17.822 -43.758 1.00 72.54 C ATOM 518 O HIS A 102 29.779 18.277 -42.646 1.00 40.35 O ATOM 519 CB HIS A 102 27.602 17.388 -44.030 1.00 2.24 C ATOM 520 CG HIS A 102 26.482 16.988 -44.939 1.00 13.40 C ATOM 521 ND1 HIS A 102 25.438 16.180 -44.538 1.00 73.30 N ATOM 522 CD2 HIS A 102 26.244 17.289 -46.237 1.00 34.24 C ATOM 523 CE1 HIS A 102 24.609 16.001 -45.549 1.00 44.23 C ATOM 524 NE2 HIS A 102 25.074 16.664 -46.593 1.00 62.12 N ATOM 0 H HIS A 102 29.454 15.250 -43.908 1.00 15.43 H new ATOM 0 HA HIS A 102 29.024 17.617 -45.623 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.523 16.825 -43.100 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.493 18.442 -43.775 1.00 2.24 H new ATOM 0 HD2 HIS A 102 26.860 17.906 -46.874 1.00 34.24 H new ATOM 0 HE1 HIS A 102 23.704 15.412 -45.527 1.00 44.23 H new ATOM 0 HE2 HIS A 102 24.636 16.705 -47.513 1.00 62.12 H new ATOM 533 N PRO A 103 31.291 17.874 -44.267 1.00 40.25 N ATOM 534 CA PRO A 103 32.418 18.474 -43.549 1.00 34.11 C ATOM 535 C PRO A 103 32.294 19.989 -43.439 1.00 22.13 C ATOM 536 O PRO A 103 32.528 20.712 -44.408 1.00 74.22 O ATOM 537 CB PRO A 103 33.627 18.097 -44.407 1.00 54.42 C ATOM 538 CG PRO A 103 33.074 17.899 -45.776 1.00 30.51 C ATOM 539 CD PRO A 103 31.687 17.349 -45.585 1.00 20.03 C ATOM 0 HA PRO A 103 32.481 18.119 -42.520 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.382 18.884 -44.395 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.106 17.190 -44.039 1.00 54.42 H new ATOM 0 HG2 PRO A 103 33.049 18.839 -46.327 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.692 17.209 -46.351 1.00 30.51 H new ATOM 0 HD2 PRO A 103 31.010 17.684 -46.371 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.681 16.259 -45.602 1.00 20.03 H new ATOM 547 N GLN A 104 31.926 20.464 -42.254 1.00 53.52 N ATOM 548 CA GLN A 104 31.771 21.896 -42.019 1.00 32.12 C ATOM 549 C GLN A 104 33.110 22.538 -41.672 1.00 3.31 C ATOM 550 O GLN A 104 33.385 23.674 -42.061 1.00 4.35 O ATOM 551 CB GLN A 104 30.766 22.143 -40.893 1.00 52.22 C ATOM 552 CG GLN A 104 29.475 21.356 -41.045 1.00 72.42 C ATOM 553 CD GLN A 104 28.251 22.248 -41.114 1.00 53.42 C ATOM 554 OE1 GLN A 104 27.254 22.006 -40.433 1.00 50.22 O ATOM 555 NE2 GLN A 104 28.322 23.288 -41.936 1.00 43.34 N ATOM 0 H GLN A 104 31.730 19.879 -41.442 1.00 53.52 H new ATOM 0 HA GLN A 104 31.397 22.351 -42.936 1.00 32.12 H new ATOM 0 HB2 GLN A 104 31.229 21.884 -39.941 1.00 52.22 H new ATOM 0 HB3 GLN A 104 30.531 23.207 -40.854 1.00 52.22 H new ATOM 0 HG2 GLN A 104 29.529 20.749 -41.949 1.00 72.42 H new ATOM 0 HG3 GLN A 104 29.372 20.669 -40.205 1.00 72.42 H new ATOM 0 HE21 GLN A 104 29.169 23.450 -42.481 1.00 43.34 H new ATOM 0 HE22 GLN A 104 27.530 23.925 -42.022 1.00 43.34 H new ATOM 564 N TYR A 105 33.939 21.805 -40.938 1.00 14.32 N ATOM 565 CA TYR A 105 35.250 22.304 -40.536 1.00 65.43 C ATOM 566 C TYR A 105 36.114 22.610 -41.756 1.00 72.42 C ATOM 567 O TYR A 105 36.936 23.525 -41.734 1.00 15.51 O ATOM 568 CB TYR A 105 35.954 21.286 -39.639 1.00 13.44 C ATOM 569 CG TYR A 105 37.246 21.796 -39.041 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.467 21.244 -39.404 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.243 22.830 -38.113 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.651 21.707 -38.859 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.421 23.300 -37.565 1.00 62.22 C ATOM 574 CZ TYR A 105 39.621 22.735 -37.941 1.00 63.32 C ATOM 575 OH TYR A 105 40.797 23.200 -37.396 1.00 2.35 O ATOM 0 H TYR A 105 33.727 20.863 -40.609 1.00 14.32 H new ATOM 0 HA TYR A 105 35.103 23.228 -39.977 1.00 65.43 H new ATOM 0 HB2 TYR A 105 35.280 20.997 -38.833 1.00 13.44 H new ATOM 0 HB3 TYR A 105 36.162 20.386 -40.218 1.00 13.44 H new ATOM 0 HD1 TYR A 105 38.493 20.439 -40.124 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.304 23.274 -37.815 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.593 21.266 -39.151 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.402 24.106 -36.846 1.00 62.22 H new ATOM 0 HH TYR A 105 40.602 23.926 -36.768 1.00 2.35 H new ATOM 585 N MET A 106 35.920 21.835 -42.818 1.00 2.13 N ATOM 586 CA MET A 106 36.681 22.023 -44.049 1.00 12.33 C ATOM 587 C MET A 106 36.159 23.222 -44.833 1.00 34.43 C ATOM 588 O MET A 106 36.883 23.814 -45.634 1.00 14.31 O ATOM 589 CB MET A 106 36.609 20.763 -44.914 1.00 2.20 C ATOM 590 CG MET A 106 37.904 20.457 -45.651 1.00 33.23 C ATOM 591 SD MET A 106 39.095 19.575 -44.623 1.00 45.54 S ATOM 592 CE MET A 106 40.476 20.715 -44.653 1.00 62.30 C ATOM 0 H MET A 106 35.244 21.072 -42.852 1.00 2.13 H new ATOM 0 HA MET A 106 37.720 22.212 -43.780 1.00 12.33 H new ATOM 0 HB2 MET A 106 36.350 19.913 -44.283 1.00 2.20 H new ATOM 0 HB3 MET A 106 35.805 20.877 -45.641 1.00 2.20 H new ATOM 0 HG2 MET A 106 37.682 19.861 -46.536 1.00 33.23 H new ATOM 0 HG3 MET A 106 38.349 21.389 -45.998 1.00 33.23 H new ATOM 0 HE1 MET A 106 41.295 20.310 -44.060 1.00 62.30 H new ATOM 0 HE2 MET A 106 40.808 20.857 -45.681 1.00 62.30 H new ATOM 0 HE3 MET A 106 40.166 21.673 -44.236 1.00 62.30 H new ATOM 602 N ARG A 107 34.900 23.576 -44.596 1.00 64.32 N ATOM 603 CA ARG A 107 34.283 24.705 -45.281 1.00 35.05 C ATOM 604 C ARG A 107 34.562 26.010 -44.541 1.00 22.20 C ATOM 605 O ARG A 107 34.969 27.003 -45.144 1.00 15.10 O ATOM 606 CB ARG A 107 32.773 24.489 -45.405 1.00 40.51 C ATOM 607 CG ARG A 107 32.395 23.350 -46.338 1.00 44.25 C ATOM 608 CD ARG A 107 30.898 23.085 -46.316 1.00 14.22 C ATOM 609 NE ARG A 107 30.186 23.884 -47.309 1.00 62.33 N ATOM 610 CZ ARG A 107 28.970 23.588 -47.756 1.00 43.41 C ATOM 611 NH1 ARG A 107 28.335 22.518 -47.299 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 28.388 24.364 -48.661 1.00 71.14 N ATOM 0 H ARG A 107 34.288 23.097 -43.935 1.00 64.32 H new ATOM 0 HA ARG A 107 34.717 24.774 -46.278 1.00 35.05 H new ATOM 0 HB2 ARG A 107 32.361 24.289 -44.416 1.00 40.51 H new ATOM 0 HB3 ARG A 107 32.311 25.409 -45.763 1.00 40.51 H new ATOM 0 HG2 ARG A 107 32.708 23.591 -47.354 1.00 44.25 H new ATOM 0 HG3 ARG A 107 32.930 22.446 -46.046 1.00 44.25 H new ATOM 0 HD2 ARG A 107 30.714 22.027 -46.503 1.00 14.22 H new ATOM 0 HD3 ARG A 107 30.505 23.306 -45.324 1.00 14.22 H new ATOM 0 HE ARG A 107 30.647 24.715 -47.680 1.00 62.33 H new ATOM 0 HH11 ARG A 107 28.780 21.920 -46.603 1.00 11.24 H new ATOM 0 HH12 ARG A 107 27.402 22.293 -47.644 1.00 11.24 H new ATOM 0 HH21 ARG A 107 28.874 25.188 -49.014 1.00 71.14 H new ATOM 0 HH22 ARG A 107 27.455 24.136 -49.004 1.00 71.14 H new ATOM 626 N SER A 108 34.338 26.000 -43.231 1.00 32.45 N ATOM 627 CA SER A 108 34.561 27.183 -42.408 1.00 62.54 C ATOM 628 C SER A 108 34.803 26.796 -40.953 1.00 72.04 C ATOM 629 O SER A 108 34.014 26.065 -40.352 1.00 3.11 O ATOM 630 CB SER A 108 33.363 28.129 -42.503 1.00 72.53 C ATOM 631 OG SER A 108 33.575 29.124 -43.491 1.00 0.01 O ATOM 0 H SER A 108 34.002 25.186 -42.717 1.00 32.45 H new ATOM 0 HA SER A 108 35.449 27.693 -42.782 1.00 62.54 H new ATOM 0 HB2 SER A 108 32.465 27.560 -42.742 1.00 72.53 H new ATOM 0 HB3 SER A 108 33.192 28.603 -41.536 1.00 72.53 H new ATOM 0 HG SER A 108 34.057 28.734 -44.250 1.00 0.01 H new ATOM 637 N LYS A 109 35.901 27.290 -40.389 1.00 71.21 N ATOM 638 CA LYS A 109 36.248 26.998 -39.004 1.00 31.02 C ATOM 639 C LYS A 109 35.168 27.503 -38.053 1.00 3.25 C ATOM 640 O LYS A 109 34.878 26.872 -37.038 1.00 50.22 O ATOM 641 CB LYS A 109 37.593 27.636 -38.649 1.00 21.34 C ATOM 642 CG LYS A 109 37.617 29.144 -38.826 1.00 52.33 C ATOM 643 CD LYS A 109 37.301 29.862 -37.524 1.00 1.02 C ATOM 644 CE LYS A 109 38.550 30.065 -36.682 1.00 51.12 C ATOM 645 NZ LYS A 109 39.447 31.104 -37.261 1.00 73.22 N1+ ATOM 0 H LYS A 109 36.566 27.895 -40.871 1.00 71.21 H new ATOM 0 HA LYS A 109 36.325 25.916 -38.896 1.00 31.02 H new ATOM 0 HB2 LYS A 109 37.837 27.396 -37.614 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.371 27.193 -39.271 1.00 21.34 H new ATOM 0 HG2 LYS A 109 38.599 29.454 -39.185 1.00 52.33 H new ATOM 0 HG3 LYS A 109 36.893 29.434 -39.588 1.00 52.33 H new ATOM 0 HD2 LYS A 109 36.847 30.829 -37.741 1.00 1.02 H new ATOM 0 HD3 LYS A 109 36.569 29.286 -36.958 1.00 1.02 H new ATOM 0 HE2 LYS A 109 38.263 30.355 -35.671 1.00 51.12 H new ATOM 0 HE3 LYS A 109 39.091 29.122 -36.602 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 40.113 31.432 -36.533 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 39.978 30.699 -38.059 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 38.877 31.907 -37.596 1.00 73.22 H new ATOM 659 N GLU A 110 34.576 28.644 -38.391 1.00 44.12 N ATOM 660 CA GLU A 110 33.526 29.233 -37.567 1.00 65.03 C ATOM 661 C GLU A 110 32.304 28.322 -37.509 1.00 4.22 C ATOM 662 O GLU A 110 31.704 28.136 -36.451 1.00 42.42 O ATOM 663 CB GLU A 110 33.128 30.606 -38.113 1.00 51.22 C ATOM 664 CG GLU A 110 32.677 30.577 -39.563 1.00 52.11 C ATOM 665 CD GLU A 110 32.558 31.962 -40.167 1.00 73.11 C ATOM 666 OE1 GLU A 110 33.576 32.475 -40.680 1.00 50.24 O ATOM 667 OE2 GLU A 110 31.449 32.536 -40.125 1.00 64.00 O1- ATOM 0 H GLU A 110 34.805 29.179 -39.229 1.00 44.12 H new ATOM 0 HA GLU A 110 33.917 29.352 -36.556 1.00 65.03 H new ATOM 0 HB2 GLU A 110 32.324 31.012 -37.499 1.00 51.22 H new ATOM 0 HB3 GLU A 110 33.976 31.285 -38.018 1.00 51.22 H new ATOM 0 HG2 GLU A 110 33.385 29.990 -40.148 1.00 52.11 H new ATOM 0 HG3 GLU A 110 31.713 30.072 -39.629 1.00 52.11 H new ATOM 674 N ASP A 111 31.941 27.757 -38.656 1.00 31.12 N ATOM 675 CA ASP A 111 30.790 26.865 -38.737 1.00 2.31 C ATOM 676 C ASP A 111 30.958 25.674 -37.799 1.00 54.23 C ATOM 677 O ASP A 111 30.136 25.451 -36.911 1.00 72.33 O ATOM 678 CB ASP A 111 30.598 26.374 -40.174 1.00 61.15 C ATOM 679 CG ASP A 111 29.141 26.134 -40.513 1.00 72.04 C ATOM 680 OD1 ASP A 111 28.718 26.521 -41.623 1.00 62.34 O ATOM 681 OD2 ASP A 111 28.422 25.557 -39.670 1.00 75.41 O1- ATOM 0 H ASP A 111 32.427 27.901 -39.541 1.00 31.12 H new ATOM 0 HA ASP A 111 29.906 27.425 -38.431 1.00 2.31 H new ATOM 0 HB2 ASP A 111 31.013 27.109 -40.864 1.00 61.15 H new ATOM 0 HB3 ASP A 111 31.158 25.450 -40.317 1.00 61.15 H new ATOM 686 N GLU A 112 32.028 24.912 -38.004 1.00 32.13 N ATOM 687 CA GLU A 112 32.302 23.743 -37.176 1.00 62.34 C ATOM 688 C GLU A 112 32.323 24.116 -35.696 1.00 34.15 C ATOM 689 O GLU A 112 31.706 23.447 -34.868 1.00 35.11 O ATOM 690 CB GLU A 112 33.638 23.111 -37.573 1.00 32.10 C ATOM 691 CG GLU A 112 34.004 21.891 -36.744 1.00 0.21 C ATOM 692 CD GLU A 112 33.207 20.662 -37.133 1.00 23.14 C ATOM 693 OE1 GLU A 112 33.630 19.543 -36.773 1.00 62.45 O ATOM 694 OE2 GLU A 112 32.161 20.817 -37.797 1.00 14.24 O1- ATOM 0 H GLU A 112 32.718 25.083 -38.735 1.00 32.13 H new ATOM 0 HA GLU A 112 31.503 23.020 -37.339 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.598 22.827 -38.624 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.427 23.857 -37.475 1.00 32.10 H new ATOM 0 HG2 GLU A 112 35.067 21.682 -36.861 1.00 0.21 H new ATOM 0 HG3 GLU A 112 33.837 22.109 -35.689 1.00 0.21 H new ATOM 701 N GLU A 113 33.038 25.189 -35.373 1.00 34.35 N ATOM 702 CA GLU A 113 33.142 25.651 -33.994 1.00 1.04 C ATOM 703 C GLU A 113 31.758 25.822 -33.373 1.00 62.52 C ATOM 704 O GLU A 113 31.433 25.184 -32.372 1.00 62.44 O ATOM 705 CB GLU A 113 33.908 26.973 -33.930 1.00 30.23 C ATOM 706 CG GLU A 113 34.224 27.426 -32.515 1.00 33.05 C ATOM 707 CD GLU A 113 34.783 26.309 -31.655 1.00 2.32 C ATOM 708 OE1 GLU A 113 35.820 25.729 -32.041 1.00 5.24 O ATOM 709 OE2 GLU A 113 34.186 26.016 -30.600 1.00 53.21 O1- ATOM 0 H GLU A 113 33.554 25.754 -36.047 1.00 34.35 H new ATOM 0 HA GLU A 113 33.687 24.897 -33.426 1.00 1.04 H new ATOM 0 HB2 GLU A 113 34.840 26.870 -34.486 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.323 27.746 -34.428 1.00 30.23 H new ATOM 0 HG2 GLU A 113 34.942 28.245 -32.552 1.00 33.05 H new ATOM 0 HG3 GLU A 113 33.318 27.817 -32.052 1.00 33.05 H new ATOM 716 N GLN A 114 30.948 26.687 -33.975 1.00 21.15 N ATOM 717 CA GLN A 114 29.601 26.943 -33.480 1.00 15.15 C ATOM 718 C GLN A 114 28.820 25.642 -33.329 1.00 12.24 C ATOM 719 O GLN A 114 28.099 25.448 -32.348 1.00 54.31 O ATOM 720 CB GLN A 114 28.859 27.889 -34.426 1.00 72.44 C ATOM 721 CG GLN A 114 29.413 29.305 -34.428 1.00 22.33 C ATOM 722 CD GLN A 114 28.385 30.333 -34.858 1.00 62.33 C ATOM 723 OE1 GLN A 114 27.688 30.916 -34.027 1.00 32.25 O ATOM 724 NE2 GLN A 114 28.285 30.562 -36.162 1.00 40.41 N ATOM 0 H GLN A 114 31.201 27.222 -34.806 1.00 21.15 H new ATOM 0 HA GLN A 114 29.685 27.412 -32.499 1.00 15.15 H new ATOM 0 HB2 GLN A 114 28.906 27.488 -35.438 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.807 27.920 -34.144 1.00 72.44 H new ATOM 0 HG2 GLN A 114 29.772 29.552 -33.429 1.00 22.33 H new ATOM 0 HG3 GLN A 114 30.272 29.354 -35.097 1.00 22.33 H new ATOM 0 HE21 GLN A 114 28.883 30.056 -36.816 1.00 40.41 H new ATOM 0 HE22 GLN A 114 27.611 31.244 -36.510 1.00 40.41 H new ATOM 733 N LEU A 115 28.967 24.752 -34.304 1.00 24.11 N ATOM 734 CA LEU A 115 28.276 23.468 -34.279 1.00 72.35 C ATOM 735 C LEU A 115 28.750 22.617 -33.105 1.00 40.11 C ATOM 736 O LEU A 115 27.959 21.919 -32.472 1.00 41.13 O ATOM 737 CB LEU A 115 28.504 22.719 -35.593 1.00 4.21 C ATOM 738 CG LEU A 115 27.300 21.957 -36.149 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.551 21.541 -37.590 1.00 43.40 C ATOM 740 CD2 LEU A 115 26.992 20.742 -35.287 1.00 4.03 C ATOM 0 H LEU A 115 29.559 24.896 -35.122 1.00 24.11 H new ATOM 0 HA LEU A 115 27.210 23.659 -34.157 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.833 23.437 -36.345 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.321 22.012 -35.448 1.00 4.21 H new ATOM 0 HG LEU A 115 26.435 22.620 -36.129 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.684 21.000 -37.969 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.721 22.428 -38.200 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.429 20.896 -37.635 1.00 43.40 H new ATOM 0 HD21 LEU A 115 26.132 20.213 -35.698 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.855 20.077 -35.274 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.767 21.065 -34.270 1.00 4.03 H new ATOM 752 N MET A 116 30.046 22.681 -32.820 1.00 70.42 N ATOM 753 CA MET A 116 30.625 21.918 -31.720 1.00 64.52 C ATOM 754 C MET A 116 30.075 22.396 -30.379 1.00 75.03 C ATOM 755 O MET A 116 29.480 21.621 -29.629 1.00 41.14 O ATOM 756 CB MET A 116 32.150 22.042 -31.732 1.00 43.44 C ATOM 757 CG MET A 116 32.853 20.973 -30.912 1.00 45.44 C ATOM 758 SD MET A 116 34.407 21.550 -30.204 1.00 64.42 S ATOM 759 CE MET A 116 35.197 22.253 -31.649 1.00 64.32 C ATOM 0 H MET A 116 30.715 23.253 -33.335 1.00 70.42 H new ATOM 0 HA MET A 116 30.352 20.871 -31.853 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.503 21.989 -32.762 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.430 23.024 -31.350 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.193 20.644 -30.110 1.00 45.44 H new ATOM 0 HG3 MET A 116 33.046 20.105 -31.543 1.00 45.44 H new ATOM 0 HE1 MET A 116 36.271 22.327 -31.477 1.00 64.32 H new ATOM 0 HE2 MET A 116 35.011 21.614 -32.512 1.00 64.32 H new ATOM 0 HE3 MET A 116 34.791 23.247 -31.838 1.00 64.32 H new ATOM 769 N THR A 117 30.279 23.676 -30.083 1.00 23.24 N ATOM 770 CA THR A 117 29.805 24.255 -28.832 1.00 45.12 C ATOM 771 C THR A 117 28.318 23.982 -28.628 1.00 55.01 C ATOM 772 O THR A 117 27.894 23.586 -27.544 1.00 75.24 O ATOM 773 CB THR A 117 30.047 25.776 -28.791 1.00 45.34 C ATOM 774 OG1 THR A 117 29.431 26.337 -27.626 1.00 40.01 O ATOM 775 CG2 THR A 117 29.491 26.446 -30.038 1.00 22.51 C ATOM 0 H THR A 117 30.769 24.331 -30.692 1.00 23.24 H new ATOM 0 HA THR A 117 30.371 23.782 -28.030 1.00 45.12 H new ATOM 0 HB THR A 117 31.122 25.951 -28.754 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.590 27.304 -27.605 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.674 27.519 -29.986 1.00 22.51 H new ATOM 0 HG22 THR A 117 29.982 26.036 -30.921 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.418 26.263 -30.102 1.00 22.51 H new ATOM 783 N GLU A 118 27.532 24.198 -29.679 1.00 13.24 N ATOM 784 CA GLU A 118 26.093 23.976 -29.613 1.00 64.41 C ATOM 785 C GLU A 118 25.778 22.489 -29.466 1.00 71.35 C ATOM 786 O GLU A 118 24.871 22.106 -28.728 1.00 2.31 O ATOM 787 CB GLU A 118 25.411 24.530 -30.866 1.00 42.20 C ATOM 788 CG GLU A 118 23.999 25.035 -30.618 1.00 62.40 C ATOM 789 CD GLU A 118 23.975 26.425 -30.011 1.00 32.23 C ATOM 790 OE1 GLU A 118 24.973 26.806 -29.365 1.00 73.11 O ATOM 791 OE2 GLU A 118 22.959 27.129 -30.183 1.00 51.30 O1- ATOM 0 H GLU A 118 27.868 24.526 -30.585 1.00 13.24 H new ATOM 0 HA GLU A 118 25.710 24.500 -28.737 1.00 64.41 H new ATOM 0 HB2 GLU A 118 26.014 25.345 -31.267 1.00 42.20 H new ATOM 0 HB3 GLU A 118 25.381 23.751 -31.627 1.00 42.20 H new ATOM 0 HG2 GLU A 118 23.450 25.044 -31.559 1.00 62.40 H new ATOM 0 HG3 GLU A 118 23.481 24.343 -29.954 1.00 62.40 H new ATOM 798 N PHE A 119 26.534 21.657 -30.174 1.00 72.35 N ATOM 799 CA PHE A 119 26.337 20.214 -30.125 1.00 31.24 C ATOM 800 C PHE A 119 26.558 19.683 -28.711 1.00 51.21 C ATOM 801 O PHE A 119 25.966 18.680 -28.312 1.00 74.52 O ATOM 802 CB PHE A 119 27.285 19.513 -31.099 1.00 12.54 C ATOM 803 CG PHE A 119 27.506 18.062 -30.783 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.635 17.653 -30.091 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.584 17.105 -31.176 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.841 16.319 -29.797 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.784 15.769 -30.886 1.00 3.12 C ATOM 808 CZ PHE A 119 27.914 15.375 -30.196 1.00 63.33 C ATOM 0 H PHE A 119 27.290 21.958 -30.789 1.00 72.35 H new ATOM 0 HA PHE A 119 25.308 20.004 -30.417 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.884 19.599 -32.109 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.246 20.028 -31.092 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.363 18.387 -29.778 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.698 17.407 -31.715 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.725 16.014 -29.256 1.00 34.02 H new ATOM 0 HE2 PHE A 119 26.058 15.033 -31.198 1.00 3.12 H new ATOM 0 HZ PHE A 119 28.073 14.331 -29.969 1.00 63.33 H new ATOM 818 N LYS A 120 27.415 20.362 -27.958 1.00 14.44 N ATOM 819 CA LYS A 120 27.716 19.963 -26.589 1.00 23.11 C ATOM 820 C LYS A 120 26.674 20.511 -25.620 1.00 34.44 C ATOM 821 O LYS A 120 26.323 19.862 -24.635 1.00 62.52 O ATOM 822 CB LYS A 120 29.109 20.452 -26.187 1.00 32.24 C ATOM 823 CG LYS A 120 30.185 19.386 -26.302 1.00 15.35 C ATOM 824 CD LYS A 120 31.564 20.002 -26.476 1.00 0.00 C ATOM 825 CE LYS A 120 31.933 20.885 -25.293 1.00 12.11 C ATOM 826 NZ LYS A 120 31.871 20.142 -24.005 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.915 21.193 -28.273 1.00 14.44 H new ATOM 0 HA LYS A 120 27.693 18.874 -26.542 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.382 21.301 -26.814 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.075 20.813 -25.159 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.175 18.760 -25.410 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.966 18.737 -27.150 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.306 19.211 -26.586 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.588 20.591 -27.393 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.938 21.281 -25.435 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.257 21.739 -25.252 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 32.319 20.708 -23.256 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 30.878 19.962 -23.756 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 32.373 19.237 -24.102 1.00 75.10 H new ATOM 840 N LYS A 121 26.180 21.711 -25.906 1.00 31.11 N ATOM 841 CA LYS A 121 25.176 22.347 -25.062 1.00 75.21 C ATOM 842 C LYS A 121 23.806 21.711 -25.274 1.00 2.10 C ATOM 843 O LYS A 121 23.008 21.607 -24.341 1.00 52.44 O ATOM 844 CB LYS A 121 25.104 23.847 -25.360 1.00 1.02 C ATOM 845 CG LYS A 121 23.997 24.222 -26.330 1.00 1.41 C ATOM 846 CD LYS A 121 24.074 25.688 -26.724 1.00 43.52 C ATOM 847 CE LYS A 121 23.831 26.599 -25.531 1.00 20.23 C ATOM 848 NZ LYS A 121 23.085 27.830 -25.916 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.459 22.263 -26.717 1.00 31.11 H new ATOM 0 HA LYS A 121 25.468 22.203 -24.022 1.00 75.21 H new ATOM 0 HB2 LYS A 121 24.955 24.388 -24.425 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.060 24.174 -25.769 1.00 1.02 H new ATOM 0 HG2 LYS A 121 24.068 23.600 -27.222 1.00 1.41 H new ATOM 0 HG3 LYS A 121 23.028 24.017 -25.875 1.00 1.41 H new ATOM 0 HD2 LYS A 121 25.054 25.900 -27.151 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.336 25.897 -27.499 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.270 26.058 -24.769 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.786 26.877 -25.086 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 22.939 28.425 -25.075 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 23.632 28.360 -26.625 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 22.163 27.566 -26.317 1.00 31.14 H new ATOM 862 N VAL A 122 23.540 21.284 -26.504 1.00 23.10 N ATOM 863 CA VAL A 122 22.268 20.654 -26.837 1.00 13.41 C ATOM 864 C VAL A 122 22.193 19.237 -26.280 1.00 52.23 C ATOM 865 O VAL A 122 21.119 18.638 -26.217 1.00 71.34 O ATOM 866 CB VAL A 122 22.045 20.609 -28.360 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.065 22.013 -28.944 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.094 19.731 -29.025 1.00 1.45 C ATOM 0 H VAL A 122 24.189 21.363 -27.287 1.00 23.10 H new ATOM 0 HA VAL A 122 21.486 21.261 -26.381 1.00 13.41 H new ATOM 0 HB VAL A 122 21.064 20.175 -28.554 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.906 21.961 -30.021 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.273 22.608 -28.488 1.00 0.12 H new ATOM 0 HG13 VAL A 122 23.030 22.477 -28.742 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.922 19.710 -30.101 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.087 20.134 -28.824 1.00 1.45 H new ATOM 0 HG23 VAL A 122 23.026 18.719 -28.627 1.00 1.45 H new ATOM 878 N LEU A 123 23.343 18.704 -25.879 1.00 4.14 N ATOM 879 CA LEU A 123 23.409 17.355 -25.327 1.00 53.40 C ATOM 880 C LEU A 123 23.097 17.362 -23.834 1.00 25.13 C ATOM 881 O LEU A 123 22.455 16.445 -23.319 1.00 61.25 O ATOM 882 CB LEU A 123 24.794 16.752 -25.568 1.00 74.02 C ATOM 883 CG LEU A 123 24.978 15.997 -26.885 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.068 16.569 -27.960 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.432 16.048 -27.330 1.00 1.21 C ATOM 0 H LEU A 123 24.241 19.185 -25.926 1.00 4.14 H new ATOM 0 HA LEU A 123 22.661 16.744 -25.833 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.530 17.555 -25.527 1.00 74.02 H new ATOM 0 HB3 LEU A 123 25.019 16.071 -24.747 1.00 74.02 H new ATOM 0 HG LEU A 123 24.705 14.954 -26.725 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.213 16.019 -28.890 1.00 42.44 H new ATOM 0 HD12 LEU A 123 23.029 16.479 -27.643 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.309 17.620 -28.119 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.544 15.506 -28.269 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.733 17.086 -27.472 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.062 15.589 -26.568 1.00 1.21 H new ATOM 897 N LEU A 124 23.553 18.401 -23.144 1.00 54.13 N ATOM 898 CA LEU A 124 23.320 18.529 -21.710 1.00 75.34 C ATOM 899 C LEU A 124 22.052 19.329 -21.432 1.00 14.20 C ATOM 900 O LEU A 124 21.381 19.116 -20.423 1.00 71.21 O ATOM 901 CB LEU A 124 24.519 19.202 -21.037 1.00 22.35 C ATOM 902 CG LEU A 124 25.734 18.310 -20.781 1.00 2.11 C ATOM 903 CD1 LEU A 124 26.857 19.108 -20.138 1.00 33.13 C ATOM 904 CD2 LEU A 124 25.350 17.125 -19.905 1.00 45.33 C ATOM 0 H LEU A 124 24.086 19.167 -23.554 1.00 54.13 H new ATOM 0 HA LEU A 124 23.193 17.528 -21.297 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.834 20.041 -21.657 1.00 22.35 H new ATOM 0 HB3 LEU A 124 24.190 19.616 -20.084 1.00 22.35 H new ATOM 0 HG LEU A 124 26.089 17.929 -21.739 1.00 2.11 H new ATOM 0 HD11 LEU A 124 27.713 18.456 -19.964 1.00 33.13 H new ATOM 0 HD12 LEU A 124 27.150 19.922 -20.801 1.00 33.13 H new ATOM 0 HD13 LEU A 124 26.514 19.519 -19.188 1.00 33.13 H new ATOM 0 HD21 LEU A 124 26.227 16.501 -19.733 1.00 45.33 H new ATOM 0 HD22 LEU A 124 24.969 17.487 -18.950 1.00 45.33 H new ATOM 0 HD23 LEU A 124 24.579 16.538 -20.404 1.00 45.33 H new ATOM 916 N GLU A 125 21.729 20.249 -22.337 1.00 14.41 N ATOM 917 CA GLU A 125 20.539 21.079 -22.189 1.00 41.11 C ATOM 918 C GLU A 125 19.325 20.230 -21.822 1.00 63.43 C ATOM 919 O GLU A 125 18.701 20.414 -20.777 1.00 14.15 O ATOM 920 CB GLU A 125 20.265 21.849 -23.482 1.00 64.13 C ATOM 921 CG GLU A 125 18.791 22.144 -23.714 1.00 62.33 C ATOM 922 CD GLU A 125 18.145 22.848 -22.537 1.00 4.53 C ATOM 923 OE1 GLU A 125 18.790 23.745 -21.956 1.00 43.43 O ATOM 924 OE2 GLU A 125 16.995 22.501 -22.197 1.00 3.44 O1- ATOM 0 H GLU A 125 22.274 20.438 -23.178 1.00 14.41 H new ATOM 0 HA GLU A 125 20.720 21.789 -21.382 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.816 22.789 -23.459 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.649 21.275 -24.325 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.684 22.762 -24.606 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.264 21.210 -23.908 1.00 62.33 H new ATOM 931 N PRO A 126 18.981 19.278 -22.702 1.00 30.12 N ATOM 932 CA PRO A 126 17.840 18.382 -22.493 1.00 22.40 C ATOM 933 C PRO A 126 18.085 17.387 -21.363 1.00 25.33 C ATOM 934 O PRO A 126 19.227 17.116 -20.998 1.00 41.31 O ATOM 935 CB PRO A 126 17.714 17.650 -23.832 1.00 61.24 C ATOM 936 CG PRO A 126 19.082 17.701 -24.421 1.00 12.33 C ATOM 937 CD PRO A 126 19.681 19.004 -23.968 1.00 0.12 C ATOM 0 HA PRO A 126 16.941 18.926 -22.203 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.381 16.622 -23.691 1.00 61.24 H new ATOM 0 HB3 PRO A 126 16.985 18.135 -24.481 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.684 16.857 -24.084 1.00 12.33 H new ATOM 0 HG3 PRO A 126 19.040 17.648 -25.509 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.758 18.922 -23.822 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.517 19.797 -24.698 1.00 0.12 H new ATOM 945 N GLY A 127 17.001 16.846 -20.814 1.00 43.42 N ATOM 946 CA GLY A 127 17.119 15.886 -19.732 1.00 51.41 C ATOM 947 C GLY A 127 17.211 14.458 -20.230 1.00 23.25 C ATOM 948 O GLY A 127 17.662 13.569 -19.508 1.00 21.10 O ATOM 0 H GLY A 127 16.044 17.055 -21.099 1.00 43.42 H new ATOM 0 HA2 GLY A 127 18.004 16.118 -19.140 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.258 15.982 -19.070 1.00 51.41 H new ATOM 952 N SER A 128 16.781 14.237 -21.468 1.00 64.24 N ATOM 953 CA SER A 128 16.812 12.905 -22.060 1.00 14.15 C ATOM 954 C SER A 128 18.182 12.608 -22.661 1.00 43.42 C ATOM 955 O SER A 128 18.290 12.176 -23.809 1.00 75.43 O ATOM 956 CB SER A 128 15.732 12.777 -23.136 1.00 12.14 C ATOM 957 OG SER A 128 14.454 13.110 -22.621 1.00 41.51 O ATOM 0 H SER A 128 16.407 14.962 -22.080 1.00 64.24 H new ATOM 0 HA SER A 128 16.617 12.179 -21.270 1.00 14.15 H new ATOM 0 HB2 SER A 128 15.971 13.431 -23.975 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.718 11.757 -23.521 1.00 12.14 H new ATOM 0 HG SER A 128 13.783 13.022 -23.329 1.00 41.51 H new ATOM 963 N LYS A 129 19.228 12.844 -21.877 1.00 13.44 N ATOM 964 CA LYS A 129 20.593 12.603 -22.329 1.00 70.44 C ATOM 965 C LYS A 129 20.774 11.153 -22.766 1.00 11.20 C ATOM 966 O LYS A 129 21.727 10.820 -23.469 1.00 23.24 O ATOM 967 CB LYS A 129 21.588 12.937 -21.215 1.00 55.21 C ATOM 968 CG LYS A 129 21.301 12.220 -19.908 1.00 13.43 C ATOM 969 CD LYS A 129 22.056 12.848 -18.749 1.00 2.32 C ATOM 970 CE LYS A 129 21.193 13.851 -17.999 1.00 34.02 C ATOM 971 NZ LYS A 129 21.583 13.958 -16.566 1.00 60.14 N1+ ATOM 0 H LYS A 129 19.157 13.202 -20.925 1.00 13.44 H new ATOM 0 HA LYS A 129 20.784 13.250 -23.186 1.00 70.44 H new ATOM 0 HB2 LYS A 129 22.593 12.679 -21.548 1.00 55.21 H new ATOM 0 HB3 LYS A 129 21.577 14.013 -21.040 1.00 55.21 H new ATOM 0 HG2 LYS A 129 20.231 12.248 -19.704 1.00 13.43 H new ATOM 0 HG3 LYS A 129 21.580 11.170 -19.999 1.00 13.43 H new ATOM 0 HD2 LYS A 129 22.387 12.068 -18.064 1.00 2.32 H new ATOM 0 HD3 LYS A 129 22.951 13.345 -19.123 1.00 2.32 H new ATOM 0 HE2 LYS A 129 21.279 14.829 -18.472 1.00 34.02 H new ATOM 0 HE3 LYS A 129 20.147 13.554 -18.069 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 20.971 14.651 -16.091 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 21.477 13.031 -16.107 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 22.574 14.267 -16.498 1.00 60.14 H new ATOM 985 N ASN A 130 19.850 10.294 -22.348 1.00 50.25 N ATOM 986 CA ASN A 130 19.906 8.879 -22.698 1.00 20.54 C ATOM 987 C ASN A 130 19.224 8.623 -24.038 1.00 24.34 C ATOM 988 O ASN A 130 18.783 7.508 -24.319 1.00 52.01 O ATOM 989 CB ASN A 130 19.245 8.036 -21.607 1.00 13.43 C ATOM 990 CG ASN A 130 19.514 8.575 -20.215 1.00 62.11 C ATOM 991 OD1 ASN A 130 18.804 9.457 -19.730 1.00 43.45 O ATOM 992 ND2 ASN A 130 20.546 8.049 -19.565 1.00 30.42 N ATOM 0 H ASN A 130 19.053 10.553 -21.766 1.00 50.25 H new ATOM 0 HA ASN A 130 20.954 8.593 -22.784 1.00 20.54 H new ATOM 0 HB2 ASN A 130 18.169 8.003 -21.779 1.00 13.43 H new ATOM 0 HB3 ASN A 130 19.610 7.011 -21.673 1.00 13.43 H new ATOM 0 HD21 ASN A 130 20.777 8.374 -18.626 1.00 30.42 H new ATOM 0 HD22 ASN A 130 21.108 7.320 -20.005 1.00 30.42 H new ATOM 999 N LEU A 131 19.142 9.662 -24.861 1.00 22.31 N ATOM 1000 CA LEU A 131 18.513 9.550 -26.174 1.00 15.12 C ATOM 1001 C LEU A 131 19.505 9.028 -27.209 1.00 65.34 C ATOM 1002 O LEU A 131 20.714 9.020 -26.977 1.00 42.41 O ATOM 1003 CB LEU A 131 17.964 10.907 -26.616 1.00 11.43 C ATOM 1004 CG LEU A 131 18.969 12.060 -26.648 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.718 12.077 -27.971 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.264 13.388 -26.414 1.00 50.13 C ATOM 0 H LEU A 131 19.502 10.591 -24.644 1.00 22.31 H new ATOM 0 HA LEU A 131 17.689 8.840 -26.096 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.537 10.796 -27.613 1.00 11.43 H new ATOM 0 HB3 LEU A 131 17.148 11.181 -25.948 1.00 11.43 H new ATOM 0 HG LEU A 131 19.692 11.910 -25.846 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.429 12.904 -27.976 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.254 11.137 -28.098 1.00 2.43 H new ATOM 0 HD13 LEU A 131 19.009 12.203 -28.789 1.00 2.43 H new ATOM 0 HD21 LEU A 131 18.994 14.197 -26.440 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.519 13.547 -27.193 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.774 13.373 -25.441 1.00 50.13 H new ATOM 1018 N SER A 132 18.985 8.596 -28.353 1.00 12.44 N ATOM 1019 CA SER A 132 19.824 8.071 -29.425 1.00 34.35 C ATOM 1020 C SER A 132 20.730 9.162 -29.989 1.00 0.35 C ATOM 1021 O SER A 132 20.312 10.310 -30.146 1.00 24.34 O ATOM 1022 CB SER A 132 18.957 7.484 -30.540 1.00 71.11 C ATOM 1023 OG SER A 132 17.945 6.646 -30.010 1.00 74.41 O ATOM 0 H SER A 132 17.987 8.599 -28.562 1.00 12.44 H new ATOM 0 HA SER A 132 20.450 7.282 -29.009 1.00 34.35 H new ATOM 0 HB2 SER A 132 18.502 8.291 -31.114 1.00 71.11 H new ATOM 0 HB3 SER A 132 19.581 6.915 -31.229 1.00 71.11 H new ATOM 0 HG SER A 132 17.403 6.284 -30.742 1.00 74.41 H new ATOM 1029 N ILE A 133 21.970 8.794 -30.291 1.00 2.43 N ATOM 1030 CA ILE A 133 22.934 9.741 -30.839 1.00 72.04 C ATOM 1031 C ILE A 133 22.391 10.413 -32.096 1.00 24.01 C ATOM 1032 O ILE A 133 22.702 11.571 -32.376 1.00 53.43 O ATOM 1033 CB ILE A 133 24.270 9.051 -31.176 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.253 10.060 -31.773 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.041 7.894 -32.137 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.612 10.044 -31.109 1.00 63.31 C ATOM 0 H ILE A 133 22.331 7.848 -30.166 1.00 2.43 H new ATOM 0 HA ILE A 133 23.107 10.496 -30.072 1.00 72.04 H new ATOM 0 HB ILE A 133 24.699 8.654 -30.256 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.374 9.852 -32.836 1.00 14.41 H new ATOM 0 HG13 ILE A 133 24.829 11.061 -31.691 1.00 14.41 H new ATOM 0 HG21 ILE A 133 24.994 7.417 -32.365 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.372 7.167 -31.678 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.593 8.269 -33.057 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.257 10.784 -31.583 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.503 10.282 -30.051 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.057 9.054 -31.214 1.00 63.31 H new ATOM 1048 N TYR A 134 21.577 9.680 -32.848 1.00 51.34 N ATOM 1049 CA TYR A 134 20.991 10.206 -34.075 1.00 14.53 C ATOM 1050 C TYR A 134 20.297 11.541 -33.819 1.00 72.13 C ATOM 1051 O TYR A 134 20.329 12.438 -34.660 1.00 64.14 O ATOM 1052 CB TYR A 134 19.994 9.203 -34.658 1.00 10.23 C ATOM 1053 CG TYR A 134 19.448 9.608 -36.009 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.080 9.214 -37.182 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.301 10.385 -36.113 1.00 14.43 C ATOM 1056 CE1 TYR A 134 19.585 9.583 -38.418 1.00 43.31 C ATOM 1057 CE2 TYR A 134 17.798 10.756 -37.344 1.00 22.22 C ATOM 1058 CZ TYR A 134 18.444 10.353 -38.494 1.00 2.11 C ATOM 1059 OH TYR A 134 17.948 10.722 -39.724 1.00 3.43 O ATOM 0 H TYR A 134 21.308 8.721 -32.629 1.00 51.34 H new ATOM 0 HA TYR A 134 21.796 10.368 -34.792 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.480 8.231 -34.748 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.164 9.081 -33.962 1.00 10.23 H new ATOM 0 HD1 TYR A 134 20.973 8.609 -37.127 1.00 75.12 H new ATOM 0 HD2 TYR A 134 17.794 10.705 -35.215 1.00 14.43 H new ATOM 0 HE1 TYR A 134 20.089 9.270 -39.320 1.00 43.31 H new ATOM 0 HE2 TYR A 134 16.904 11.358 -37.406 1.00 22.22 H new ATOM 0 HH TYR A 134 17.139 11.262 -39.602 1.00 3.43 H new ATOM 1069 N GLN A 135 19.672 11.661 -32.652 1.00 15.24 N ATOM 1070 CA GLN A 135 18.971 12.885 -32.286 1.00 3.44 C ATOM 1071 C GLN A 135 19.956 13.975 -31.875 1.00 63.55 C ATOM 1072 O GLN A 135 19.770 15.149 -32.196 1.00 15.31 O ATOM 1073 CB GLN A 135 17.988 12.613 -31.146 1.00 23.05 C ATOM 1074 CG GLN A 135 17.289 11.268 -31.254 1.00 5.20 C ATOM 1075 CD GLN A 135 16.810 10.970 -32.662 1.00 34.34 C ATOM 1076 OE1 GLN A 135 16.961 9.722 -33.087 1.00 23.14 O flip ATOM 1077 NE2 GLN A 135 16.310 11.854 -33.359 1.00 23.23 N flip ATOM 0 H GLN A 135 19.637 10.926 -31.945 1.00 15.24 H new ATOM 0 HA GLN A 135 18.418 13.232 -33.159 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.523 12.660 -30.197 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.237 13.403 -31.128 1.00 23.05 H new ATOM 0 HG2 GLN A 135 17.972 10.481 -30.932 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.438 11.249 -30.573 1.00 5.20 H new ATOM 0 HE21 GLN A 135 16.214 12.800 -32.991 1.00 23.23 H new ATOM 0 HE22 GLN A 135 15.992 11.640 -34.304 1.00 23.23 H new ATOM 1086 N THR A 136 21.005 13.578 -31.161 1.00 4.35 N ATOM 1087 CA THR A 136 22.019 14.521 -30.704 1.00 41.33 C ATOM 1088 C THR A 136 22.591 15.320 -31.869 1.00 13.53 C ATOM 1089 O THR A 136 22.652 16.549 -31.821 1.00 52.25 O ATOM 1090 CB THR A 136 23.169 13.800 -29.976 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.972 13.082 -30.920 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.629 12.839 -28.929 1.00 12.34 C ATOM 0 H THR A 136 21.175 12.610 -30.887 1.00 4.35 H new ATOM 0 HA THR A 136 21.528 15.201 -30.008 1.00 41.33 H new ATOM 0 HB THR A 136 23.780 14.551 -29.476 1.00 42.43 H new ATOM 0 HG1 THR A 136 23.408 12.455 -31.419 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.460 12.342 -28.428 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.042 13.392 -28.196 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.997 12.093 -29.411 1.00 12.34 H new ATOM 1100 N LEU A 137 23.010 14.615 -32.915 1.00 40.20 N ATOM 1101 CA LEU A 137 23.577 15.260 -34.094 1.00 24.30 C ATOM 1102 C LEU A 137 22.488 15.933 -34.923 1.00 25.13 C ATOM 1103 O LEU A 137 22.618 17.095 -35.311 1.00 73.04 O ATOM 1104 CB LEU A 137 24.325 14.235 -34.949 1.00 71.51 C ATOM 1105 CG LEU A 137 25.458 13.480 -34.253 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.033 12.416 -35.175 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.545 14.444 -33.804 1.00 41.53 C ATOM 0 H LEU A 137 22.968 13.597 -32.970 1.00 40.20 H new ATOM 0 HA LEU A 137 24.277 16.025 -33.759 1.00 24.30 H new ATOM 0 HB2 LEU A 137 23.604 13.507 -35.321 1.00 71.51 H new ATOM 0 HB3 LEU A 137 24.737 14.748 -35.818 1.00 71.51 H new ATOM 0 HG LEU A 137 25.052 12.987 -33.370 1.00 14.44 H new ATOM 0 HD11 LEU A 137 26.838 11.888 -34.664 1.00 42.21 H new ATOM 0 HD12 LEU A 137 25.250 11.708 -35.446 1.00 42.21 H new ATOM 0 HD13 LEU A 137 26.424 12.888 -36.076 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.343 13.889 -33.311 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.949 14.966 -34.671 1.00 41.53 H new ATOM 0 HD23 LEU A 137 26.123 15.169 -33.108 1.00 41.53 H new ATOM 1119 N LEU A 138 21.415 15.198 -35.190 1.00 10.14 N ATOM 1120 CA LEU A 138 20.301 15.725 -35.971 1.00 31.24 C ATOM 1121 C LEU A 138 19.822 17.058 -35.406 1.00 11.02 C ATOM 1122 O LEU A 138 19.624 18.023 -36.145 1.00 71.33 O ATOM 1123 CB LEU A 138 19.146 14.722 -35.991 1.00 41.12 C ATOM 1124 CG LEU A 138 17.805 15.253 -36.495 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.155 14.253 -37.439 1.00 14.12 C ATOM 1126 CD2 LEU A 138 16.880 15.564 -35.327 1.00 22.45 C ATOM 0 H LEU A 138 21.292 14.235 -34.877 1.00 10.14 H new ATOM 0 HA LEU A 138 20.650 15.888 -36.991 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.436 13.876 -36.614 1.00 41.12 H new ATOM 0 HB3 LEU A 138 19.006 14.340 -34.980 1.00 41.12 H new ATOM 0 HG LEU A 138 17.987 16.177 -37.045 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.201 14.649 -37.788 1.00 14.12 H new ATOM 0 HD12 LEU A 138 17.810 14.080 -38.293 1.00 14.12 H new ATOM 0 HD13 LEU A 138 16.988 13.313 -36.914 1.00 14.12 H new ATOM 0 HD21 LEU A 138 15.930 15.941 -35.706 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.706 14.656 -34.749 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.341 16.318 -34.689 1.00 22.45 H new ATOM 1138 N ALA A 139 19.637 17.106 -34.090 1.00 11.23 N ATOM 1139 CA ALA A 139 19.186 18.322 -33.425 1.00 25.20 C ATOM 1140 C ALA A 139 20.265 19.398 -33.459 1.00 1.41 C ATOM 1141 O ALA A 139 20.028 20.513 -33.924 1.00 21.21 O ATOM 1142 CB ALA A 139 18.783 18.018 -31.990 1.00 44.04 C ATOM 0 H ALA A 139 19.793 16.316 -33.464 1.00 11.23 H new ATOM 0 HA ALA A 139 18.317 18.701 -33.962 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.448 18.934 -31.504 1.00 44.04 H new ATOM 0 HB2 ALA A 139 17.973 17.288 -31.986 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.639 17.613 -31.450 1.00 44.04 H new ATOM 1148 N ALA A 140 21.449 19.058 -32.961 1.00 70.34 N ATOM 1149 CA ALA A 140 22.565 19.997 -32.935 1.00 73.32 C ATOM 1150 C ALA A 140 22.788 20.622 -34.308 1.00 31.53 C ATOM 1151 O ALA A 140 23.135 21.798 -34.417 1.00 61.43 O ATOM 1152 CB ALA A 140 23.829 19.299 -32.458 1.00 20.30 C ATOM 0 H ALA A 140 21.661 18.140 -32.570 1.00 70.34 H new ATOM 0 HA ALA A 140 22.320 20.797 -32.237 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.654 20.011 -32.443 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.671 18.906 -31.454 1.00 20.30 H new ATOM 0 HB3 ALA A 140 24.069 18.479 -33.135 1.00 20.30 H new ATOM 1158 N HIS A 141 22.587 19.828 -35.355 1.00 1.44 N ATOM 1159 CA HIS A 141 22.768 20.303 -36.722 1.00 35.23 C ATOM 1160 C HIS A 141 21.652 21.268 -37.113 1.00 23.11 C ATOM 1161 O HIS A 141 21.909 22.422 -37.452 1.00 71.12 O ATOM 1162 CB HIS A 141 22.802 19.124 -37.694 1.00 54.14 C ATOM 1163 CG HIS A 141 23.004 19.530 -39.122 1.00 62.40 C ATOM 1164 ND1 HIS A 141 22.137 19.586 -40.159 1.00 11.41 N flip ATOM 1165 CD2 HIS A 141 24.222 19.942 -39.621 1.00 55.51 C flip ATOM 1166 CE1 HIS A 141 22.837 20.026 -41.254 1.00 43.34 C flip ATOM 1167 NE2 HIS A 141 24.094 20.234 -40.902 1.00 1.53 N flip ATOM 0 H HIS A 141 22.299 18.852 -35.283 1.00 1.44 H new ATOM 0 HA HIS A 141 23.719 20.834 -36.774 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.603 18.445 -37.401 1.00 54.14 H new ATOM 0 HB3 HIS A 141 21.868 18.569 -37.611 1.00 54.14 H new ATOM 0 HD2 HIS A 141 25.137 20.014 -39.053 1.00 55.51 H new ATOM 0 HE1 HIS A 141 22.428 20.178 -42.242 1.00 43.34 H new ATOM 0 HE2 HIS A 141 24.839 20.564 -41.516 1.00 1.53 H new ATOM 1176 N GLU A 142 20.414 20.785 -37.061 1.00 21.22 N ATOM 1177 CA GLU A 142 19.261 21.606 -37.413 1.00 60.01 C ATOM 1178 C GLU A 142 19.244 22.897 -36.600 1.00 12.12 C ATOM 1179 O GLU A 142 18.837 23.949 -37.094 1.00 65.25 O ATOM 1180 CB GLU A 142 17.964 20.827 -37.182 1.00 0.33 C ATOM 1181 CG GLU A 142 17.824 19.601 -38.068 1.00 13.53 C ATOM 1182 CD GLU A 142 17.009 19.876 -39.318 1.00 12.43 C ATOM 1183 OE1 GLU A 142 15.764 19.823 -39.238 1.00 13.54 O ATOM 1184 OE2 GLU A 142 17.618 20.142 -40.376 1.00 0.23 O1- ATOM 0 H GLU A 142 20.184 19.832 -36.779 1.00 21.22 H new ATOM 0 HA GLU A 142 19.339 21.864 -38.469 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.917 20.517 -36.138 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.116 21.490 -37.356 1.00 0.33 H new ATOM 0 HG2 GLU A 142 18.815 19.249 -38.355 1.00 13.53 H new ATOM 0 HG3 GLU A 142 17.353 18.799 -37.500 1.00 13.53 H new ATOM 1191 N ARG A 143 19.688 22.808 -35.351 1.00 11.21 N ATOM 1192 CA ARG A 143 19.723 23.968 -34.468 1.00 60.32 C ATOM 1193 C ARG A 143 20.770 24.976 -34.934 1.00 61.53 C ATOM 1194 O ARG A 143 20.596 26.185 -34.778 1.00 4.22 O ATOM 1195 CB ARG A 143 20.021 23.534 -33.032 1.00 31.13 C ATOM 1196 CG ARG A 143 18.791 23.071 -32.267 1.00 61.33 C ATOM 1197 CD ARG A 143 18.871 23.456 -30.799 1.00 34.34 C ATOM 1198 NE ARG A 143 18.572 24.870 -30.587 1.00 43.43 N ATOM 1199 CZ ARG A 143 17.359 25.394 -30.724 1.00 42.24 C ATOM 1200 NH1 ARG A 143 16.337 24.624 -31.071 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 17.166 26.689 -30.514 1.00 72.21 N ATOM 0 H ARG A 143 20.029 21.945 -34.927 1.00 11.21 H new ATOM 0 HA ARG A 143 18.744 24.446 -34.500 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.752 22.726 -33.050 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.479 24.366 -32.498 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.898 23.510 -32.711 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.692 21.989 -32.356 1.00 61.33 H new ATOM 0 HD2 ARG A 143 18.171 22.848 -30.226 1.00 34.34 H new ATOM 0 HD3 ARG A 143 19.869 23.236 -30.420 1.00 34.34 H new ATOM 0 HE ARG A 143 19.337 25.489 -30.319 1.00 43.43 H new ATOM 0 HH11 ARG A 143 16.481 23.627 -31.233 1.00 31.10 H new ATOM 0 HH12 ARG A 143 15.406 25.028 -31.176 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.950 27.285 -30.247 1.00 72.21 H new ATOM 0 HH22 ARG A 143 16.234 27.089 -30.620 1.00 72.21 H new ATOM 1215 N LEU A 144 21.856 24.469 -35.507 1.00 51.52 N ATOM 1216 CA LEU A 144 22.933 25.324 -35.994 1.00 34.24 C ATOM 1217 C LEU A 144 22.438 26.237 -37.112 1.00 61.12 C ATOM 1218 O LEU A 144 22.884 27.377 -37.238 1.00 51.43 O ATOM 1219 CB LEU A 144 24.100 24.471 -36.496 1.00 61.43 C ATOM 1220 CG LEU A 144 25.306 25.238 -37.039 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.187 25.726 -35.899 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.105 24.366 -37.997 1.00 54.33 C ATOM 0 H LEU A 144 22.014 23.471 -35.646 1.00 51.52 H new ATOM 0 HA LEU A 144 23.275 25.945 -35.166 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.437 23.835 -35.678 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.731 23.811 -37.281 1.00 61.43 H new ATOM 0 HG LEU A 144 24.942 26.107 -37.587 1.00 62.04 H new ATOM 0 HD11 LEU A 144 27.040 26.270 -36.305 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.611 26.387 -35.251 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.542 24.872 -35.322 1.00 42.11 H new ATOM 0 HD21 LEU A 144 26.960 24.928 -38.374 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.457 23.478 -37.473 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.471 24.067 -38.832 1.00 54.33 H new ATOM 1234 N GLN A 145 21.514 25.727 -37.920 1.00 51.00 N ATOM 1235 CA GLN A 145 20.958 26.497 -39.027 1.00 12.25 C ATOM 1236 C GLN A 145 19.542 26.964 -38.707 1.00 12.51 C ATOM 1237 O GLN A 145 18.694 27.055 -39.593 1.00 14.40 O ATOM 1238 CB GLN A 145 20.956 25.661 -40.307 1.00 54.30 C ATOM 1239 CG GLN A 145 22.292 24.998 -40.604 1.00 44.02 C ATOM 1240 CD GLN A 145 22.377 23.588 -40.055 1.00 45.43 C ATOM 1241 OE1 GLN A 145 23.576 23.180 -39.654 1.00 3.44 O flip ATOM 1242 NE2 GLN A 145 21.377 22.872 -39.992 1.00 40.43 N flip ATOM 0 H GLN A 145 21.135 24.785 -37.829 1.00 51.00 H new ATOM 0 HA GLN A 145 21.585 27.376 -39.177 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.188 24.892 -40.227 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.682 26.299 -41.147 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.450 24.974 -41.682 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.095 25.599 -40.177 1.00 44.02 H new ATOM 0 HE21 GLN A 145 20.475 23.226 -40.311 1.00 40.43 H new ATOM 0 HE22 GLN A 145 21.450 21.925 -39.620 1.00 40.43 H new ATOM 1251 N ALA A 146 19.294 27.258 -37.436 1.00 25.41 N ATOM 1252 CA ALA A 146 17.981 27.717 -36.999 1.00 61.13 C ATOM 1253 C ALA A 146 18.028 29.175 -36.556 1.00 43.10 C ATOM 1254 O ALA A 146 19.075 29.676 -36.142 1.00 53.12 O ATOM 1255 CB ALA A 146 17.461 26.837 -35.871 1.00 73.03 C ATOM 0 H ALA A 146 19.985 27.187 -36.690 1.00 25.41 H new ATOM 0 HA ALA A 146 17.299 27.644 -37.846 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.480 27.192 -35.555 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.379 25.808 -36.221 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.151 26.880 -35.028 1.00 73.03 H new ATOM 1261 N LEU A 147 16.889 29.854 -36.648 1.00 64.13 N ATOM 1262 CA LEU A 147 16.801 31.256 -36.257 1.00 53.53 C ATOM 1263 C LEU A 147 16.231 31.393 -34.848 1.00 25.45 C ATOM 1264 O LEU A 147 15.791 32.482 -34.480 1.00 52.04 O ATOM 1265 CB LEU A 147 15.930 32.029 -37.249 1.00 12.24 C ATOM 1266 CG LEU A 147 16.442 32.086 -38.689 1.00 10.30 C ATOM 1267 CD1 LEU A 147 15.850 30.951 -39.510 1.00 75.04 C ATOM 1268 CD2 LEU A 147 16.113 33.430 -39.319 1.00 34.23 C ATOM 0 H LEU A 147 16.014 29.456 -36.990 1.00 64.13 H new ATOM 0 HA LEU A 147 17.808 31.674 -36.265 1.00 53.53 H new ATOM 0 HB2 LEU A 147 14.936 31.581 -37.255 1.00 12.24 H new ATOM 0 HB3 LEU A 147 15.817 33.050 -36.884 1.00 12.24 H new ATOM 0 HG LEU A 147 17.526 31.970 -38.674 1.00 10.30 H new ATOM 0 HD11 LEU A 147 16.225 31.007 -40.532 1.00 75.04 H new ATOM 0 HD12 LEU A 147 16.137 29.996 -39.070 1.00 75.04 H new ATOM 0 HD13 LEU A 147 14.763 31.036 -39.517 1.00 75.04 H new ATOM 0 HD21 LEU A 147 16.485 33.452 -40.343 1.00 34.23 H new ATOM 0 HD22 LEU A 147 15.033 33.576 -39.322 1.00 34.23 H new ATOM 0 HD23 LEU A 147 16.585 34.227 -38.744 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 70.141 28.474 24.669 1.00 21.13 N ATOM 1282 CA HIS B 518 70.873 28.479 23.407 1.00 35.22 C ATOM 1283 C HIS B 518 69.978 28.940 22.262 1.00 35.13 C ATOM 1284 O HIS B 518 68.828 29.323 22.475 1.00 13.03 O ATOM 1285 CB HIS B 518 71.425 27.084 23.109 1.00 50.40 C ATOM 1286 CG HIS B 518 70.398 25.999 23.216 1.00 11.31 C ATOM 1287 ND1 HIS B 518 70.144 25.316 24.388 1.00 51.44 N ATOM 1288 CD2 HIS B 518 69.559 25.479 22.291 1.00 52.22 C ATOM 1289 CE1 HIS B 518 69.194 24.424 24.178 1.00 51.12 C ATOM 1290 NE2 HIS B 518 68.822 24.502 22.913 1.00 12.11 N ATOM 0 HA HIS B 518 71.704 29.179 23.499 1.00 35.22 H new ATOM 0 HB2 HIS B 518 71.847 27.076 22.104 1.00 50.40 H new ATOM 0 HB3 HIS B 518 72.241 26.870 23.799 1.00 50.40 H new ATOM 0 HD2 HIS B 518 69.483 25.777 21.256 1.00 52.22 H new ATOM 0 HE1 HIS B 518 68.790 23.746 24.915 1.00 51.12 H new ATOM 0 HE2 HIS B 518 68.104 23.929 22.470 1.00 12.11 H new ATOM 1299 N MET B 519 70.514 28.903 21.046 1.00 20.22 N ATOM 1300 CA MET B 519 69.764 29.318 19.867 1.00 45.23 C ATOM 1301 C MET B 519 69.900 28.292 18.746 1.00 50.30 C ATOM 1302 O MET B 519 70.500 27.232 18.933 1.00 40.52 O ATOM 1303 CB MET B 519 70.247 30.686 19.383 1.00 3.13 C ATOM 1304 CG MET B 519 70.165 31.771 20.445 1.00 31.34 C ATOM 1305 SD MET B 519 70.856 33.341 19.890 1.00 5.43 S ATOM 1306 CE MET B 519 69.600 33.871 18.729 1.00 34.34 C ATOM 0 H MET B 519 71.465 28.590 20.852 1.00 20.22 H new ATOM 0 HA MET B 519 68.712 29.390 20.144 1.00 45.23 H new ATOM 0 HB2 MET B 519 71.279 30.598 19.044 1.00 3.13 H new ATOM 0 HB3 MET B 519 69.653 30.988 18.521 1.00 3.13 H new ATOM 0 HG2 MET B 519 69.123 31.918 20.729 1.00 31.34 H new ATOM 0 HG3 MET B 519 70.696 31.441 21.338 1.00 31.34 H new ATOM 0 HE1 MET B 519 69.800 34.897 18.420 1.00 34.34 H new ATOM 0 HE2 MET B 519 69.614 33.219 17.855 1.00 34.34 H new ATOM 0 HE3 MET B 519 68.620 33.820 19.204 1.00 34.34 H new ATOM 1316 N ASP B 520 69.341 28.612 17.585 1.00 74.23 N ATOM 1317 CA ASP B 520 69.401 27.718 16.435 1.00 31.44 C ATOM 1318 C ASP B 520 70.846 27.373 16.090 1.00 44.32 C ATOM 1319 O ASP B 520 71.786 28.070 16.475 1.00 1.42 O ATOM 1320 CB ASP B 520 68.714 28.358 15.227 1.00 25.13 C ATOM 1321 CG ASP B 520 67.232 28.048 15.173 1.00 32.35 C ATOM 1322 OD1 ASP B 520 66.869 26.965 14.668 1.00 72.23 O ATOM 1323 OD2 ASP B 520 66.433 28.888 15.637 1.00 3.02 O1- ATOM 0 H ASP B 520 68.841 29.484 17.415 1.00 74.23 H new ATOM 0 HA ASP B 520 68.878 26.797 16.694 1.00 31.44 H new ATOM 0 HB2 ASP B 520 68.855 29.438 15.262 1.00 25.13 H new ATOM 0 HB3 ASP B 520 69.190 28.004 14.312 1.00 25.13 H new ATOM 1328 N PRO B 521 71.032 26.272 15.347 1.00 54.32 N ATOM 1329 CA PRO B 521 72.360 25.810 14.934 1.00 73.43 C ATOM 1330 C PRO B 521 73.000 26.732 13.903 1.00 14.40 C ATOM 1331 O PRO B 521 74.161 27.123 14.039 1.00 3.11 O ATOM 1332 CB PRO B 521 72.083 24.434 14.322 1.00 34.25 C ATOM 1333 CG PRO B 521 70.665 24.500 13.870 1.00 74.43 C ATOM 1334 CD PRO B 521 69.958 25.394 14.852 1.00 2.40 C ATOM 0 HA PRO B 521 73.061 25.787 15.768 1.00 73.43 H new ATOM 0 HB2 PRO B 521 72.755 24.229 13.489 1.00 34.25 H new ATOM 0 HB3 PRO B 521 72.229 23.639 15.053 1.00 34.25 H new ATOM 0 HG2 PRO B 521 70.596 24.900 12.858 1.00 74.43 H new ATOM 0 HG3 PRO B 521 70.215 23.508 13.852 1.00 74.43 H new ATOM 0 HD2 PRO B 521 69.161 25.964 14.375 1.00 2.40 H new ATOM 0 HD3 PRO B 521 69.502 24.822 15.660 1.00 2.40 H new ATOM 1342 N LEU B 522 72.238 27.078 12.871 1.00 1.11 N ATOM 1343 CA LEU B 522 72.731 27.957 11.815 1.00 75.22 C ATOM 1344 C LEU B 522 71.614 28.320 10.843 1.00 30.33 C ATOM 1345 O LEU B 522 70.438 28.065 11.107 1.00 4.43 O ATOM 1346 CB LEU B 522 73.880 27.285 11.061 1.00 22.31 C ATOM 1347 CG LEU B 522 73.507 26.066 10.217 1.00 23.42 C ATOM 1348 CD1 LEU B 522 73.727 26.353 8.740 1.00 31.54 C ATOM 1349 CD2 LEU B 522 74.311 24.849 10.651 1.00 64.43 C ATOM 0 H LEU B 522 71.276 26.763 12.743 1.00 1.11 H new ATOM 0 HA LEU B 522 73.095 28.873 12.279 1.00 75.22 H new ATOM 0 HB2 LEU B 522 74.342 28.026 10.409 1.00 22.31 H new ATOM 0 HB3 LEU B 522 74.636 26.983 11.786 1.00 22.31 H new ATOM 0 HG LEU B 522 72.450 25.851 10.372 1.00 23.42 H new ATOM 0 HD11 LEU B 522 73.456 25.474 8.154 1.00 31.54 H new ATOM 0 HD12 LEU B 522 73.107 27.196 8.437 1.00 31.54 H new ATOM 0 HD13 LEU B 522 74.776 26.594 8.569 1.00 31.54 H new ATOM 0 HD21 LEU B 522 74.032 23.991 10.039 1.00 64.43 H new ATOM 0 HD22 LEU B 522 75.375 25.052 10.527 1.00 64.43 H new ATOM 0 HD23 LEU B 522 74.103 24.630 11.698 1.00 64.43 H new ATOM 1361 N THR B 523 71.988 28.916 9.716 1.00 53.05 N ATOM 1362 CA THR B 523 71.018 29.314 8.703 1.00 40.25 C ATOM 1363 C THR B 523 71.049 28.366 7.509 1.00 12.10 C ATOM 1364 O THR B 523 71.882 28.488 6.611 1.00 20.21 O ATOM 1365 CB THR B 523 71.277 30.751 8.210 1.00 32.04 C ATOM 1366 OG1 THR B 523 72.685 30.979 8.086 1.00 63.35 O ATOM 1367 CG2 THR B 523 70.676 31.767 9.169 1.00 73.11 C ATOM 0 H THR B 523 72.956 29.134 9.481 1.00 53.05 H new ATOM 0 HA THR B 523 70.035 29.271 9.173 1.00 40.25 H new ATOM 0 HB THR B 523 70.803 30.870 7.236 1.00 32.04 H new ATOM 0 HG1 THR B 523 73.088 30.259 7.558 1.00 63.35 H new ATOM 0 HG21 THR B 523 70.871 32.774 8.801 1.00 73.11 H new ATOM 0 HG22 THR B 523 69.600 31.608 9.240 1.00 73.11 H new ATOM 0 HG23 THR B 523 71.126 31.647 10.155 1.00 73.11 H new ATOM 1375 N PRO B 524 70.121 27.398 7.496 1.00 61.23 N ATOM 1376 CA PRO B 524 70.020 26.412 6.417 1.00 21.31 C ATOM 1377 C PRO B 524 69.536 27.029 5.110 1.00 11.10 C ATOM 1378 O PRO B 524 68.699 27.932 5.111 1.00 65.14 O ATOM 1379 CB PRO B 524 68.993 25.409 6.948 1.00 71.15 C ATOM 1380 CG PRO B 524 68.168 26.187 7.914 1.00 14.31 C ATOM 1381 CD PRO B 524 69.097 27.194 8.535 1.00 21.34 C ATOM 0 HA PRO B 524 70.987 25.968 6.180 1.00 21.31 H new ATOM 0 HB2 PRO B 524 68.382 25.004 6.142 1.00 71.15 H new ATOM 0 HB3 PRO B 524 69.480 24.564 7.434 1.00 71.15 H new ATOM 0 HG2 PRO B 524 67.338 26.681 7.409 1.00 14.31 H new ATOM 0 HG3 PRO B 524 67.736 25.534 8.673 1.00 14.31 H new ATOM 0 HD2 PRO B 524 68.580 28.122 8.777 1.00 21.34 H new ATOM 0 HD3 PRO B 524 69.533 26.821 9.462 1.00 21.34 H new ATOM 1389 N ASP B 525 70.067 26.537 3.996 1.00 31.30 N ATOM 1390 CA ASP B 525 69.687 27.040 2.681 1.00 51.41 C ATOM 1391 C ASP B 525 70.351 26.226 1.575 1.00 61.44 C ATOM 1392 O ASP B 525 71.333 25.522 1.812 1.00 70.22 O ATOM 1393 CB ASP B 525 70.070 28.515 2.545 1.00 53.22 C ATOM 1394 CG ASP B 525 69.219 29.242 1.522 1.00 74.23 C ATOM 1395 OD1 ASP B 525 69.786 29.748 0.531 1.00 15.03 O ATOM 1396 OD2 ASP B 525 67.987 29.302 1.712 1.00 4.21 O1- ATOM 0 H ASP B 525 70.762 25.790 3.977 1.00 31.30 H new ATOM 0 HA ASP B 525 68.606 26.942 2.581 1.00 51.41 H new ATOM 0 HB2 ASP B 525 69.967 29.005 3.513 1.00 53.22 H new ATOM 0 HB3 ASP B 525 71.119 28.590 2.260 1.00 53.22 H new ATOM 1401 N ALA B 526 69.808 26.325 0.367 1.00 64.40 N ATOM 1402 CA ALA B 526 70.347 25.598 -0.776 1.00 74.21 C ATOM 1403 C ALA B 526 69.584 25.936 -2.052 1.00 60.43 C ATOM 1404 O ALA B 526 68.645 26.731 -2.033 1.00 3.51 O ATOM 1405 CB ALA B 526 70.306 24.100 -0.516 1.00 22.02 C ATOM 0 H ALA B 526 68.994 26.902 0.154 1.00 64.40 H new ATOM 0 HA ALA B 526 71.384 25.904 -0.912 1.00 74.21 H new ATOM 0 HB1 ALA B 526 70.711 23.570 -1.378 1.00 22.02 H new ATOM 0 HB2 ALA B 526 70.902 23.867 0.366 1.00 22.02 H new ATOM 0 HB3 ALA B 526 69.275 23.788 -0.350 1.00 22.02 H new ATOM 1411 N SER B 527 69.995 25.328 -3.160 1.00 22.23 N ATOM 1412 CA SER B 527 69.353 25.569 -4.448 1.00 10.42 C ATOM 1413 C SER B 527 67.951 24.969 -4.475 1.00 55.23 C ATOM 1414 O SER B 527 67.692 23.939 -3.855 1.00 74.31 O ATOM 1415 CB SER B 527 70.195 24.978 -5.580 1.00 54.03 C ATOM 1416 OG SER B 527 71.578 25.178 -5.345 1.00 33.11 O ATOM 0 H SER B 527 70.769 24.665 -3.192 1.00 22.23 H new ATOM 0 HA SER B 527 69.272 26.647 -4.590 1.00 10.42 H new ATOM 0 HB2 SER B 527 69.989 23.912 -5.672 1.00 54.03 H new ATOM 0 HB3 SER B 527 69.913 25.440 -6.526 1.00 54.03 H new ATOM 0 HG SER B 527 72.095 24.790 -6.082 1.00 33.11 H new ATOM 1422 N GLU B 528 67.047 25.625 -5.198 1.00 34.44 N ATOM 1423 CA GLU B 528 65.670 25.157 -5.307 1.00 70.03 C ATOM 1424 C GLU B 528 65.188 25.215 -6.753 1.00 45.40 C ATOM 1425 O GLU B 528 65.044 24.186 -7.412 1.00 23.21 O ATOM 1426 CB GLU B 528 64.752 25.998 -4.417 1.00 24.51 C ATOM 1427 CG GLU B 528 63.276 25.690 -4.603 1.00 63.11 C ATOM 1428 CD GLU B 528 62.964 24.215 -4.442 1.00 25.14 C ATOM 1429 OE1 GLU B 528 63.564 23.576 -3.552 1.00 15.45 O ATOM 1430 OE2 GLU B 528 62.121 23.698 -5.205 1.00 52.05 O1- ATOM 0 H GLU B 528 67.244 26.481 -5.716 1.00 34.44 H new ATOM 0 HA GLU B 528 65.638 24.120 -4.974 1.00 70.03 H new ATOM 0 HB2 GLU B 528 65.020 25.833 -3.374 1.00 24.51 H new ATOM 0 HB3 GLU B 528 64.924 27.054 -4.627 1.00 24.51 H new ATOM 0 HG2 GLU B 528 62.695 26.262 -3.879 1.00 63.11 H new ATOM 0 HG3 GLU B 528 62.962 26.018 -5.594 1.00 63.11 H new ATOM 1437 N SER B 529 64.942 26.427 -7.241 1.00 24.10 N ATOM 1438 CA SER B 529 64.471 26.619 -8.608 1.00 74.23 C ATOM 1439 C SER B 529 65.538 27.304 -9.458 1.00 3.40 C ATOM 1440 O SER B 529 65.454 28.501 -9.733 1.00 61.24 O ATOM 1441 CB SER B 529 63.186 27.449 -8.616 1.00 63.34 C ATOM 1442 OG SER B 529 62.706 27.634 -9.936 1.00 34.34 O ATOM 0 H SER B 529 65.061 27.290 -6.711 1.00 24.10 H new ATOM 0 HA SER B 529 64.263 25.638 -9.036 1.00 74.23 H new ATOM 0 HB2 SER B 529 62.425 26.952 -8.015 1.00 63.34 H new ATOM 0 HB3 SER B 529 63.373 28.419 -8.155 1.00 63.34 H new ATOM 0 HG SER B 529 61.883 28.166 -9.913 1.00 34.34 H new ATOM 1448 N VAL B 530 66.540 26.536 -9.871 1.00 34.03 N ATOM 1449 CA VAL B 530 67.623 27.066 -10.690 1.00 72.15 C ATOM 1450 C VAL B 530 67.631 26.424 -12.073 1.00 13.35 C ATOM 1451 O VAL B 530 67.937 27.077 -13.069 1.00 62.34 O ATOM 1452 CB VAL B 530 68.993 26.841 -10.024 1.00 51.23 C ATOM 1453 CG1 VAL B 530 70.110 27.371 -10.909 1.00 75.24 C ATOM 1454 CG2 VAL B 530 69.032 27.495 -8.652 1.00 2.14 C ATOM 0 H VAL B 530 66.625 25.543 -9.652 1.00 34.03 H new ATOM 0 HA VAL B 530 67.448 28.137 -10.791 1.00 72.15 H new ATOM 0 HB VAL B 530 69.143 25.769 -9.894 1.00 51.23 H new ATOM 0 HG11 VAL B 530 71.071 27.203 -10.422 1.00 75.24 H new ATOM 0 HG12 VAL B 530 70.093 26.851 -11.867 1.00 75.24 H new ATOM 0 HG13 VAL B 530 69.968 28.439 -11.073 1.00 75.24 H new ATOM 0 HG21 VAL B 530 70.007 27.326 -8.196 1.00 2.14 H new ATOM 0 HG22 VAL B 530 68.860 28.566 -8.755 1.00 2.14 H new ATOM 0 HG23 VAL B 530 68.256 27.062 -8.020 1.00 2.14 H new ATOM 1464 N ASN B 531 67.292 25.140 -12.125 1.00 50.32 N ATOM 1465 CA ASN B 531 67.260 24.409 -13.387 1.00 54.32 C ATOM 1466 C ASN B 531 65.972 24.700 -14.152 1.00 34.52 C ATOM 1467 O ASN B 531 64.992 25.174 -13.579 1.00 34.23 O ATOM 1468 CB ASN B 531 67.386 22.905 -13.133 1.00 1.55 C ATOM 1469 CG ASN B 531 66.157 22.327 -12.459 1.00 54.25 C ATOM 1470 OD1 ASN B 531 65.270 21.786 -13.120 1.00 63.14 O ATOM 1471 ND2 ASN B 531 66.097 22.440 -11.137 1.00 21.12 N ATOM 0 H ASN B 531 67.036 24.584 -11.309 1.00 50.32 H new ATOM 0 HA ASN B 531 68.104 24.741 -13.992 1.00 54.32 H new ATOM 0 HB2 ASN B 531 67.552 22.392 -14.080 1.00 1.55 H new ATOM 0 HB3 ASN B 531 68.261 22.717 -12.511 1.00 1.55 H new ATOM 0 HD21 ASN B 531 65.293 22.071 -10.630 1.00 21.12 H new ATOM 0 HD22 ASN B 531 66.855 22.896 -10.629 1.00 21.12 H new ATOM 1478 N ASN B 532 65.983 24.411 -15.449 1.00 22.22 N ATOM 1479 CA ASN B 532 64.816 24.641 -16.293 1.00 1.42 C ATOM 1480 C ASN B 532 65.072 24.160 -17.719 1.00 44.13 C ATOM 1481 O ASN B 532 66.204 24.195 -18.202 1.00 32.50 O ATOM 1482 CB ASN B 532 64.453 26.128 -16.302 1.00 52.44 C ATOM 1483 CG ASN B 532 62.957 26.356 -16.402 1.00 72.53 C ATOM 1484 OD1 ASN B 532 62.210 26.072 -15.466 1.00 72.51 O ATOM 1485 ND2 ASN B 532 62.512 26.874 -17.542 1.00 42.51 N ATOM 0 H ASN B 532 66.787 24.017 -15.938 1.00 22.22 H new ATOM 0 HA ASN B 532 63.983 24.072 -15.881 1.00 1.42 H new ATOM 0 HB2 ASN B 532 64.830 26.597 -15.393 1.00 52.44 H new ATOM 0 HB3 ASN B 532 64.949 26.616 -17.141 1.00 52.44 H new ATOM 0 HD21 ASN B 532 61.515 27.051 -17.667 1.00 42.51 H new ATOM 0 HD22 ASN B 532 63.167 27.094 -18.292 1.00 42.51 H new ATOM 1492 N ILE B 533 64.013 23.713 -18.384 1.00 4.31 N ATOM 1493 CA ILE B 533 64.123 23.227 -19.755 1.00 60.32 C ATOM 1494 C ILE B 533 62.819 23.433 -20.517 1.00 54.13 C ATOM 1495 O ILE B 533 61.734 23.388 -19.937 1.00 12.31 O ATOM 1496 CB ILE B 533 64.496 21.733 -19.794 1.00 51.21 C ATOM 1497 CG1 ILE B 533 63.518 20.918 -18.945 1.00 70.53 C ATOM 1498 CG2 ILE B 533 65.924 21.531 -19.307 1.00 41.24 C ATOM 1499 CD1 ILE B 533 62.247 20.547 -19.676 1.00 11.24 C ATOM 0 H ILE B 533 63.070 23.677 -17.997 1.00 4.31 H new ATOM 0 HA ILE B 533 64.915 23.804 -20.232 1.00 60.32 H new ATOM 0 HB ILE B 533 64.431 21.384 -20.825 1.00 51.21 H new ATOM 0 HG12 ILE B 533 64.013 20.007 -18.609 1.00 70.53 H new ATOM 0 HG13 ILE B 533 63.261 21.489 -18.053 1.00 70.53 H new ATOM 0 HG21 ILE B 533 66.173 20.470 -19.340 1.00 41.24 H new ATOM 0 HG22 ILE B 533 66.609 22.085 -19.949 1.00 41.24 H new ATOM 0 HG23 ILE B 533 66.014 21.893 -18.283 1.00 41.24 H new ATOM 0 HD11 ILE B 533 61.601 19.971 -19.014 1.00 11.24 H new ATOM 0 HD12 ILE B 533 61.729 21.454 -19.989 1.00 11.24 H new ATOM 0 HD13 ILE B 533 62.493 19.949 -20.553 1.00 11.24 H new ATOM 1511 N LEU B 534 62.932 23.660 -21.821 1.00 4.44 N ATOM 1512 CA LEU B 534 61.762 23.872 -22.666 1.00 61.11 C ATOM 1513 C LEU B 534 61.137 22.543 -23.075 1.00 32.54 C ATOM 1514 O LEU B 534 61.817 21.518 -23.137 1.00 62.31 O ATOM 1515 CB LEU B 534 62.146 24.673 -23.912 1.00 2.04 C ATOM 1516 CG LEU B 534 62.777 23.876 -25.054 1.00 60.34 C ATOM 1517 CD1 LEU B 534 61.708 23.381 -26.014 1.00 34.13 C ATOM 1518 CD2 LEU B 534 63.806 24.723 -25.788 1.00 61.30 C ATOM 0 H LEU B 534 63.823 23.702 -22.316 1.00 4.44 H new ATOM 0 HA LEU B 534 61.027 24.436 -22.091 1.00 61.11 H new ATOM 0 HB2 LEU B 534 61.252 25.167 -24.291 1.00 2.04 H new ATOM 0 HB3 LEU B 534 62.842 25.457 -23.615 1.00 2.04 H new ATOM 0 HG LEU B 534 63.284 23.009 -24.631 1.00 60.34 H new ATOM 0 HD11 LEU B 534 62.176 22.816 -26.820 1.00 34.13 H new ATOM 0 HD12 LEU B 534 61.008 22.739 -25.479 1.00 34.13 H new ATOM 0 HD13 LEU B 534 61.172 24.233 -26.432 1.00 34.13 H new ATOM 0 HD21 LEU B 534 64.246 24.141 -26.598 1.00 61.30 H new ATOM 0 HD22 LEU B 534 63.322 25.609 -26.199 1.00 61.30 H new ATOM 0 HD23 LEU B 534 64.589 25.027 -25.093 1.00 61.30 H new ATOM 1530 N LYS B 535 59.839 22.565 -23.356 1.00 14.02 N ATOM 1531 CA LYS B 535 59.122 21.363 -23.764 1.00 64.31 C ATOM 1532 C LYS B 535 58.035 21.696 -24.781 1.00 72.41 C ATOM 1533 O LYS B 535 57.078 22.404 -24.469 1.00 14.31 O ATOM 1534 CB LYS B 535 58.502 20.677 -22.545 1.00 54.24 C ATOM 1535 CG LYS B 535 59.489 19.839 -21.751 1.00 50.42 C ATOM 1536 CD LYS B 535 58.778 18.882 -20.809 1.00 13.13 C ATOM 1537 CE LYS B 535 58.315 19.586 -19.543 1.00 52.33 C ATOM 1538 NZ LYS B 535 57.609 18.657 -18.619 1.00 62.51 N1+ ATOM 0 H LYS B 535 59.261 23.404 -23.309 1.00 14.02 H new ATOM 0 HA LYS B 535 59.836 20.685 -24.231 1.00 64.31 H new ATOM 0 HB2 LYS B 535 58.074 21.436 -21.890 1.00 54.24 H new ATOM 0 HB3 LYS B 535 57.681 20.041 -22.875 1.00 54.24 H new ATOM 0 HG2 LYS B 535 60.121 19.274 -22.436 1.00 50.42 H new ATOM 0 HG3 LYS B 535 60.145 20.494 -21.178 1.00 50.42 H new ATOM 0 HD2 LYS B 535 57.920 18.442 -21.316 1.00 13.13 H new ATOM 0 HD3 LYS B 535 59.448 18.063 -20.547 1.00 13.13 H new ATOM 0 HE2 LYS B 535 59.175 20.021 -19.034 1.00 52.33 H new ATOM 0 HE3 LYS B 535 57.651 20.409 -19.807 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 57.309 19.175 -17.768 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 56.774 18.261 -19.096 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 58.250 17.885 -18.346 1.00 62.51 H new ATOM 1552 N GLN B 536 58.190 21.180 -25.996 1.00 24.12 N ATOM 1553 CA GLN B 536 57.220 21.423 -27.058 1.00 22.34 C ATOM 1554 C GLN B 536 57.177 20.251 -28.034 1.00 62.32 C ATOM 1555 O GLN B 536 58.118 20.032 -28.796 1.00 50.41 O ATOM 1556 CB GLN B 536 57.562 22.713 -27.804 1.00 51.31 C ATOM 1557 CG GLN B 536 57.435 23.964 -26.949 1.00 35.41 C ATOM 1558 CD GLN B 536 56.006 24.230 -26.515 1.00 30.51 C ATOM 1559 OE1 GLN B 536 55.736 24.460 -25.337 1.00 45.21 O ATOM 1560 NE2 GLN B 536 55.083 24.203 -27.470 1.00 61.41 N ATOM 0 H GLN B 536 58.977 20.592 -26.270 1.00 24.12 H new ATOM 0 HA GLN B 536 56.236 21.527 -26.601 1.00 22.34 H new ATOM 0 HB2 GLN B 536 58.582 22.644 -28.183 1.00 51.31 H new ATOM 0 HB3 GLN B 536 56.906 22.807 -28.670 1.00 51.31 H new ATOM 0 HG2 GLN B 536 58.066 23.862 -26.066 1.00 35.41 H new ATOM 0 HG3 GLN B 536 57.807 24.822 -27.509 1.00 35.41 H new ATOM 0 HE21 GLN B 536 55.352 24.008 -28.434 1.00 61.41 H new ATOM 0 HE22 GLN B 536 54.105 24.377 -27.239 1.00 61.41 H new ATOM 1569 N SER B 537 56.079 19.503 -28.005 1.00 14.31 N ATOM 1570 CA SER B 537 55.915 18.352 -28.884 1.00 14.23 C ATOM 1571 C SER B 537 54.563 17.683 -28.659 1.00 74.01 C ATOM 1572 O SER B 537 54.050 17.657 -27.540 1.00 11.11 O ATOM 1573 CB SER B 537 57.041 17.342 -28.653 1.00 13.52 C ATOM 1574 OG SER B 537 57.289 17.163 -27.269 1.00 64.54 O ATOM 0 H SER B 537 55.290 19.674 -27.382 1.00 14.31 H new ATOM 0 HA SER B 537 55.959 18.705 -29.914 1.00 14.23 H new ATOM 0 HB2 SER B 537 56.775 16.386 -29.105 1.00 13.52 H new ATOM 0 HB3 SER B 537 57.950 17.686 -29.147 1.00 13.52 H new ATOM 0 HG SER B 537 58.011 16.512 -27.148 1.00 64.54 H new ATOM 1580 N GLY B 538 53.990 17.145 -29.731 1.00 40.34 N ATOM 1581 CA GLY B 538 52.702 16.483 -29.630 1.00 13.30 C ATOM 1582 C GLY B 538 51.601 17.246 -30.340 1.00 44.23 C ATOM 1583 O GLY B 538 51.660 18.469 -30.458 1.00 4.52 O ATOM 0 H GLY B 538 54.394 17.156 -30.667 1.00 40.34 H new ATOM 0 HA2 GLY B 538 52.777 15.482 -30.054 1.00 13.30 H new ATOM 0 HA3 GLY B 538 52.439 16.365 -28.579 1.00 13.30 H new ATOM 1587 N ALA B 539 50.594 16.520 -30.818 1.00 15.34 N ATOM 1588 CA ALA B 539 49.476 17.136 -31.521 1.00 61.14 C ATOM 1589 C ALA B 539 48.350 16.133 -31.745 1.00 52.01 C ATOM 1590 O ALA B 539 48.547 14.925 -31.616 1.00 53.15 O ATOM 1591 CB ALA B 539 49.941 17.717 -32.848 1.00 63.32 C ATOM 0 H ALA B 539 50.531 15.506 -30.731 1.00 15.34 H new ATOM 0 HA ALA B 539 49.089 17.944 -30.900 1.00 61.14 H new ATOM 0 HB1 ALA B 539 49.095 18.174 -33.362 1.00 63.32 H new ATOM 0 HB2 ALA B 539 50.706 18.472 -32.667 1.00 63.32 H new ATOM 0 HB3 ALA B 539 50.356 16.922 -33.468 1.00 63.32 H new ATOM 1597 N TRP B 540 47.169 16.641 -32.081 1.00 64.23 N ATOM 1598 CA TRP B 540 46.011 15.789 -32.323 1.00 74.22 C ATOM 1599 C TRP B 540 45.458 16.007 -33.727 1.00 14.34 C ATOM 1600 O TRP B 540 45.294 17.144 -34.169 1.00 54.13 O ATOM 1601 CB TRP B 540 44.923 16.065 -31.284 1.00 74.04 C ATOM 1602 CG TRP B 540 45.455 16.211 -29.891 1.00 15.41 C ATOM 1603 CD1 TRP B 540 46.499 15.527 -29.337 1.00 11.20 C ATOM 1604 CD2 TRP B 540 44.968 17.094 -28.875 1.00 44.12 C ATOM 1605 NE1 TRP B 540 46.691 15.932 -28.038 1.00 30.21 N ATOM 1606 CE2 TRP B 540 45.764 16.893 -27.731 1.00 22.41 C ATOM 1607 CE3 TRP B 540 43.937 18.037 -28.822 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 45.560 17.600 -26.549 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 43.736 18.738 -27.648 1.00 24.52 C ATOM 1610 CH2 TRP B 540 44.545 18.517 -26.525 1.00 22.11 C ATOM 0 H TRP B 540 46.989 17.639 -32.192 1.00 64.23 H new ATOM 0 HA TRP B 540 46.331 14.751 -32.237 1.00 74.22 H new ATOM 0 HB2 TRP B 540 44.391 16.975 -31.559 1.00 74.04 H new ATOM 0 HB3 TRP B 540 44.197 15.253 -31.304 1.00 74.04 H new ATOM 0 HD1 TRP B 540 47.088 14.778 -29.845 1.00 11.20 H new ATOM 0 HE1 TRP B 540 47.407 15.575 -27.405 1.00 30.21 H new ATOM 0 HE3 TRP B 540 43.309 18.214 -29.683 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 46.181 17.431 -25.682 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 42.942 19.468 -27.595 1.00 24.52 H new ATOM 0 HH2 TRP B 540 44.363 19.082 -25.623 1.00 22.11 H new ATOM 1621 N SER B 541 45.174 14.911 -34.423 1.00 34.54 N ATOM 1622 CA SER B 541 44.642 14.983 -35.779 1.00 2.20 C ATOM 1623 C SER B 541 44.361 13.588 -36.328 1.00 32.22 C ATOM 1624 O SER B 541 45.191 12.687 -36.218 1.00 42.44 O ATOM 1625 CB SER B 541 45.624 15.716 -36.696 1.00 3.02 C ATOM 1626 OG SER B 541 45.295 15.516 -38.060 1.00 54.44 O ATOM 0 H SER B 541 45.303 13.963 -34.070 1.00 34.54 H new ATOM 0 HA SER B 541 43.704 15.537 -35.746 1.00 2.20 H new ATOM 0 HB2 SER B 541 45.612 16.782 -36.468 1.00 3.02 H new ATOM 0 HB3 SER B 541 46.637 15.361 -36.507 1.00 3.02 H new ATOM 0 HG SER B 541 45.936 15.996 -38.625 1.00 54.44 H new ATOM 1632 N GLY B 542 43.182 13.417 -36.918 1.00 4.53 N ATOM 1633 CA GLY B 542 42.811 12.130 -37.476 1.00 64.24 C ATOM 1634 C GLY B 542 41.472 11.640 -36.961 1.00 5.44 C ATOM 1635 O GLY B 542 40.437 11.867 -37.588 1.00 43.23 O ATOM 0 H GLY B 542 42.477 14.147 -37.019 1.00 4.53 H new ATOM 0 HA2 GLY B 542 42.773 12.206 -38.563 1.00 64.24 H new ATOM 0 HA3 GLY B 542 43.580 11.397 -37.234 1.00 64.24 H new ATOM 1639 N ASP B 543 41.491 10.963 -35.818 1.00 11.14 N ATOM 1640 CA ASP B 543 40.270 10.439 -35.219 1.00 52.52 C ATOM 1641 C ASP B 543 39.643 11.462 -34.278 1.00 13.13 C ATOM 1642 O ASP B 543 38.422 11.513 -34.124 1.00 20.02 O ATOM 1643 CB ASP B 543 40.564 9.143 -34.461 1.00 25.25 C ATOM 1644 CG ASP B 543 41.138 8.065 -35.358 1.00 14.33 C ATOM 1645 OD1 ASP B 543 41.036 8.204 -36.595 1.00 4.03 O ATOM 1646 OD2 ASP B 543 41.690 7.081 -34.823 1.00 51.20 O1- ATOM 0 H ASP B 543 42.339 10.764 -35.288 1.00 11.14 H new ATOM 0 HA ASP B 543 39.562 10.229 -36.021 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.265 9.350 -33.652 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.645 8.778 -34.001 1.00 25.25 H new ATOM 1651 N ASP B 544 40.486 12.274 -33.650 1.00 15.42 N ATOM 1652 CA ASP B 544 40.014 13.298 -32.723 1.00 51.14 C ATOM 1653 C ASP B 544 38.879 14.109 -33.342 1.00 4.23 C ATOM 1654 O ASP B 544 37.981 14.575 -32.640 1.00 2.42 O ATOM 1655 CB ASP B 544 41.163 14.226 -32.327 1.00 73.54 C ATOM 1656 CG ASP B 544 40.929 14.898 -30.988 1.00 21.23 C ATOM 1657 OD1 ASP B 544 41.536 15.962 -30.745 1.00 50.03 O ATOM 1658 OD2 ASP B 544 40.138 14.361 -30.185 1.00 63.43 O1- ATOM 0 H ASP B 544 41.499 12.244 -33.765 1.00 15.42 H new ATOM 0 HA ASP B 544 39.636 12.799 -31.831 1.00 51.14 H new ATOM 0 HB2 ASP B 544 42.090 13.655 -32.286 1.00 73.54 H new ATOM 0 HB3 ASP B 544 41.292 14.988 -33.095 1.00 73.54 H new ATOM 1663 N LYS B 545 38.926 14.275 -34.659 1.00 75.25 N ATOM 1664 CA LYS B 545 37.903 15.029 -35.372 1.00 24.24 C ATOM 1665 C LYS B 545 36.506 14.557 -34.980 1.00 33.21 C ATOM 1666 O LYS B 545 35.656 15.358 -34.590 1.00 50.14 O ATOM 1667 CB LYS B 545 38.095 14.886 -36.884 1.00 64.44 C ATOM 1668 CG LYS B 545 39.394 15.489 -37.391 1.00 54.23 C ATOM 1669 CD LYS B 545 39.430 16.993 -37.181 1.00 42.41 C ATOM 1670 CE LYS B 545 40.675 17.612 -37.798 1.00 62.41 C ATOM 1671 NZ LYS B 545 41.155 18.786 -37.018 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.663 13.897 -35.255 1.00 75.25 H new ATOM 0 HA LYS B 545 38.004 16.079 -35.097 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.068 13.829 -37.147 1.00 64.44 H new ATOM 0 HB3 LYS B 545 37.259 15.363 -37.395 1.00 64.44 H new ATOM 0 HG2 LYS B 545 40.236 15.028 -36.874 1.00 54.23 H new ATOM 0 HG3 LYS B 545 39.510 15.266 -38.452 1.00 54.23 H new ATOM 0 HD2 LYS B 545 38.541 17.444 -37.622 1.00 42.41 H new ATOM 0 HD3 LYS B 545 39.403 17.213 -36.114 1.00 42.41 H new ATOM 0 HE2 LYS B 545 41.465 16.863 -37.850 1.00 62.41 H new ATOM 0 HE3 LYS B 545 40.459 17.919 -38.821 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 42.005 19.180 -37.471 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 40.410 19.512 -36.989 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 41.386 18.488 -36.049 1.00 40.23 H new ATOM 1685 N LEU B 546 36.277 13.253 -35.086 1.00 71.42 N ATOM 1686 CA LEU B 546 34.983 12.674 -34.740 1.00 33.24 C ATOM 1687 C LEU B 546 34.948 12.251 -33.274 1.00 5.43 C ATOM 1688 O LEU B 546 33.891 12.246 -32.646 1.00 43.24 O ATOM 1689 CB LEU B 546 34.685 11.471 -35.636 1.00 40.40 C ATOM 1690 CG LEU B 546 35.630 10.277 -35.493 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.146 9.342 -34.396 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.753 9.532 -36.814 1.00 60.44 C ATOM 0 H LEU B 546 36.969 12.577 -35.408 1.00 71.42 H new ATOM 0 HA LEU B 546 34.219 13.436 -34.897 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.670 11.132 -35.429 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.705 11.803 -36.674 1.00 40.40 H new ATOM 0 HG LEU B 546 36.616 10.650 -35.216 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.831 8.498 -34.309 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.110 9.880 -33.449 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.149 8.976 -34.643 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.429 8.686 -36.693 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.771 9.171 -37.121 1.00 60.44 H new ATOM 0 HD23 LEU B 546 36.147 10.205 -37.576 1.00 60.44 H new ATOM 1704 N GLN B 547 36.113 11.901 -32.738 1.00 42.22 N ATOM 1705 CA GLN B 547 36.216 11.479 -31.346 1.00 10.14 C ATOM 1706 C GLN B 547 35.550 12.491 -30.420 1.00 64.45 C ATOM 1707 O GLN B 547 34.774 12.124 -29.537 1.00 15.25 O ATOM 1708 CB GLN B 547 37.683 11.299 -30.953 1.00 1.31 C ATOM 1709 CG GLN B 547 37.944 10.043 -30.138 1.00 14.25 C ATOM 1710 CD GLN B 547 39.300 10.060 -29.458 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.334 9.905 -30.106 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.300 10.248 -28.143 1.00 30.11 N ATOM 0 H GLN B 547 36.998 11.901 -33.246 1.00 42.22 H new ATOM 0 HA GLN B 547 35.700 10.525 -31.243 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.292 11.269 -31.857 1.00 1.31 H new ATOM 0 HB3 GLN B 547 38.006 12.168 -30.380 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.165 9.935 -29.384 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.879 9.172 -30.790 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.418 10.372 -27.646 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.182 10.268 -27.631 1.00 30.11 H new ATOM 1721 N LYS B 548 35.857 13.767 -30.627 1.00 13.42 N ATOM 1722 CA LYS B 548 35.288 14.833 -29.811 1.00 2.43 C ATOM 1723 C LYS B 548 33.772 14.696 -29.716 1.00 11.31 C ATOM 1724 O LYS B 548 33.207 14.709 -28.623 1.00 25.34 O ATOM 1725 CB LYS B 548 35.651 16.200 -30.397 1.00 44.51 C ATOM 1726 CG LYS B 548 35.355 16.323 -31.882 1.00 74.23 C ATOM 1727 CD LYS B 548 36.268 17.337 -32.550 1.00 50.13 C ATOM 1728 CE LYS B 548 36.111 18.719 -31.935 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.942 19.736 -32.635 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.497 14.088 -31.353 1.00 13.42 H new ATOM 0 HA LYS B 548 35.706 14.751 -28.808 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.102 16.974 -29.860 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.712 16.388 -30.230 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.478 15.351 -32.360 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.316 16.619 -32.024 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.304 17.012 -32.457 1.00 50.13 H new ATOM 0 HD3 LYS B 548 36.043 17.384 -33.616 1.00 50.13 H new ATOM 0 HE2 LYS B 548 35.063 19.017 -31.974 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.393 18.682 -30.883 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 37.251 20.460 -31.955 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.776 19.275 -33.053 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.381 20.185 -33.387 1.00 32.25 H new ATOM 1743 N TRP B 549 33.122 14.562 -30.865 1.00 35.00 N ATOM 1744 CA TRP B 549 31.670 14.421 -30.911 1.00 23.03 C ATOM 1745 C TRP B 549 31.219 13.199 -30.121 1.00 60.44 C ATOM 1746 O TRP B 549 30.470 13.317 -29.150 1.00 13.42 O ATOM 1747 CB TRP B 549 31.193 14.311 -32.360 1.00 1.00 C ATOM 1748 CG TRP B 549 31.595 15.480 -33.208 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.790 15.658 -33.844 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.801 16.633 -33.509 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.788 16.853 -34.524 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.579 17.469 -34.334 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.510 17.040 -33.164 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 31.105 18.686 -34.816 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 29.042 18.248 -33.643 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.837 19.059 -34.463 1.00 4.25 C ATOM 0 H TRP B 549 33.576 14.548 -31.778 1.00 35.00 H new ATOM 0 HA TRP B 549 31.228 15.308 -30.458 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.595 13.398 -32.799 1.00 1.00 H new ATOM 0 HB3 TRP B 549 30.107 14.219 -32.372 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.616 14.962 -33.817 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.560 17.221 -35.079 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.889 16.421 -32.534 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.717 19.314 -35.447 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 28.046 18.573 -33.381 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.441 19.997 -34.824 1.00 4.25 H new ATOM 1767 N VAL B 550 31.679 12.024 -30.539 1.00 65.43 N ATOM 1768 CA VAL B 550 31.322 10.779 -29.868 1.00 41.32 C ATOM 1769 C VAL B 550 31.598 10.863 -28.372 1.00 70.33 C ATOM 1770 O VAL B 550 30.703 10.650 -27.553 1.00 22.45 O ATOM 1771 CB VAL B 550 32.095 9.583 -30.455 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.647 8.285 -29.804 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.916 9.523 -31.965 1.00 22.45 C ATOM 0 H VAL B 550 32.300 11.908 -31.340 1.00 65.43 H new ATOM 0 HA VAL B 550 30.255 10.627 -30.030 1.00 41.32 H new ATOM 0 HB VAL B 550 33.156 9.719 -30.243 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.205 7.452 -30.232 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.833 8.333 -28.731 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.582 8.138 -29.981 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.469 8.672 -32.363 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.858 9.411 -32.202 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.293 10.442 -32.413 1.00 22.45 H new ATOM 1783 N ARG B 551 32.841 11.176 -28.021 1.00 22.31 N ATOM 1784 CA ARG B 551 33.235 11.288 -26.622 1.00 13.54 C ATOM 1785 C ARG B 551 32.205 12.088 -25.829 1.00 30.45 C ATOM 1786 O ARG B 551 31.873 11.742 -24.696 1.00 43.25 O ATOM 1787 CB ARG B 551 34.609 11.951 -26.508 1.00 20.34 C ATOM 1788 CG ARG B 551 35.371 11.562 -25.252 1.00 75.53 C ATOM 1789 CD ARG B 551 36.031 12.769 -24.605 1.00 51.12 C ATOM 1790 NE ARG B 551 36.732 12.416 -23.373 1.00 55.05 N ATOM 1791 CZ ARG B 551 37.643 13.192 -22.797 1.00 23.44 C ATOM 1792 NH1 ARG B 551 37.961 14.360 -23.338 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 38.238 12.801 -21.677 1.00 20.42 N ATOM 0 H ARG B 551 33.593 11.357 -28.686 1.00 22.31 H new ATOM 0 HA ARG B 551 33.289 10.283 -26.205 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.205 11.685 -27.381 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.483 13.034 -26.526 1.00 20.34 H new ATOM 0 HG2 ARG B 551 34.689 11.094 -24.542 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.130 10.820 -25.501 1.00 75.53 H new ATOM 0 HD2 ARG B 551 36.735 13.217 -25.307 1.00 51.12 H new ATOM 0 HD3 ARG B 551 35.274 13.523 -24.388 1.00 51.12 H new ATOM 0 HE ARG B 551 36.510 11.524 -22.931 1.00 55.05 H new ATOM 0 HH11 ARG B 551 37.506 14.664 -24.198 1.00 74.33 H new ATOM 0 HH12 ARG B 551 38.661 14.954 -22.894 1.00 74.33 H new ATOM 0 HH21 ARG B 551 37.996 11.903 -21.257 1.00 20.42 H new ATOM 0 HH22 ARG B 551 38.937 13.398 -21.236 1.00 20.42 H new ATOM 1807 N VAL B 552 31.705 13.161 -26.433 1.00 73.21 N ATOM 1808 CA VAL B 552 30.713 14.011 -25.785 1.00 53.54 C ATOM 1809 C VAL B 552 29.369 13.298 -25.672 1.00 31.11 C ATOM 1810 O VAL B 552 28.676 13.415 -24.661 1.00 31.43 O ATOM 1811 CB VAL B 552 30.517 15.331 -26.552 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.392 16.147 -25.934 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.813 16.129 -26.577 1.00 14.55 C ATOM 0 H VAL B 552 31.971 13.463 -27.371 1.00 73.21 H new ATOM 0 HA VAL B 552 31.090 14.232 -24.787 1.00 53.54 H new ATOM 0 HB VAL B 552 30.240 15.096 -27.580 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.269 17.076 -26.490 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.465 15.576 -25.972 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.635 16.375 -24.896 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.657 17.059 -27.123 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.121 16.355 -25.556 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.590 15.545 -27.070 1.00 14.55 H new ATOM 1823 N TYR B 553 29.007 12.560 -26.715 1.00 3.04 N ATOM 1824 CA TYR B 553 27.746 11.830 -26.734 1.00 51.43 C ATOM 1825 C TYR B 553 27.662 10.856 -25.563 1.00 23.41 C ATOM 1826 O TYR B 553 26.637 10.765 -24.887 1.00 65.22 O ATOM 1827 CB TYR B 553 27.589 11.072 -28.054 1.00 50.50 C ATOM 1828 CG TYR B 553 27.265 9.607 -27.876 1.00 4.03 C ATOM 1829 CD1 TYR B 553 25.976 9.193 -27.564 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.247 8.635 -28.020 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.674 7.855 -27.400 1.00 21.35 C ATOM 1832 CE2 TYR B 553 27.955 7.295 -27.859 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.667 6.909 -27.548 1.00 52.22 C ATOM 1834 OH TYR B 553 26.373 5.575 -27.387 1.00 2.33 O ATOM 0 H TYR B 553 29.570 12.452 -27.559 1.00 3.04 H new ATOM 0 HA TYR B 553 26.937 12.554 -26.640 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.800 11.541 -28.641 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.511 11.164 -28.628 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.196 9.931 -27.448 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.257 8.933 -28.262 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.666 7.551 -27.157 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.731 6.553 -27.976 1.00 34.42 H new ATOM 0 HH TYR B 553 27.184 5.042 -27.526 1.00 2.33 H new ATOM 1844 N LEU B 554 28.749 10.129 -25.327 1.00 55.44 N ATOM 1845 CA LEU B 554 28.802 9.161 -24.238 1.00 42.23 C ATOM 1846 C LEU B 554 29.092 9.853 -22.909 1.00 53.42 C ATOM 1847 O LEU B 554 28.682 9.379 -21.849 1.00 74.44 O ATOM 1848 CB LEU B 554 29.871 8.104 -24.520 1.00 44.44 C ATOM 1849 CG LEU B 554 31.245 8.633 -24.931 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.245 8.462 -23.797 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.735 7.925 -26.186 1.00 32.42 C ATOM 0 H LEU B 554 29.606 10.192 -25.876 1.00 55.44 H new ATOM 0 HA LEU B 554 27.829 8.675 -24.169 1.00 42.23 H new ATOM 0 HB2 LEU B 554 29.992 7.491 -23.627 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.505 7.448 -25.310 1.00 44.44 H new ATOM 0 HG LEU B 554 31.152 9.697 -25.149 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.217 8.844 -24.108 1.00 24.32 H new ATOM 0 HD12 LEU B 554 31.901 9.014 -22.922 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.334 7.405 -23.547 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.714 8.314 -26.464 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.811 6.855 -25.994 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.031 8.098 -27.000 1.00 32.42 H new ATOM 1863 N ASP B 555 29.799 10.976 -22.974 1.00 73.25 N ATOM 1864 CA ASP B 555 30.141 11.734 -21.777 1.00 31.31 C ATOM 1865 C ASP B 555 28.910 12.429 -21.204 1.00 23.23 C ATOM 1866 O ASP B 555 28.787 12.593 -19.990 1.00 34.14 O ATOM 1867 CB ASP B 555 31.224 12.767 -22.094 1.00 72.13 C ATOM 1868 CG ASP B 555 31.622 13.581 -20.878 1.00 53.31 C ATOM 1869 OD1 ASP B 555 31.358 13.123 -19.746 1.00 34.15 O ATOM 1870 OD2 ASP B 555 32.198 14.674 -21.058 1.00 21.01 O1- ATOM 0 H ASP B 555 30.146 11.381 -23.843 1.00 73.25 H new ATOM 0 HA ASP B 555 30.522 11.036 -21.031 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.103 12.258 -22.490 1.00 72.13 H new ATOM 0 HB3 ASP B 555 30.865 13.438 -22.875 1.00 72.13 H new ATOM 1875 N ARG B 556 28.003 12.837 -22.086 1.00 10.54 N ATOM 1876 CA ARG B 556 26.782 13.517 -21.668 1.00 54.44 C ATOM 1877 C ARG B 556 25.674 12.511 -21.372 1.00 72.41 C ATOM 1878 O ARG B 556 24.839 12.732 -20.497 1.00 3.24 O ATOM 1879 CB ARG B 556 26.323 14.496 -22.750 1.00 35.13 C ATOM 1880 CG ARG B 556 25.986 13.828 -24.072 1.00 22.30 C ATOM 1881 CD ARG B 556 24.498 13.535 -24.185 1.00 71.10 C ATOM 1882 NE ARG B 556 24.236 12.314 -24.943 1.00 44.32 N ATOM 1883 CZ ARG B 556 23.122 12.104 -25.635 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.173 13.028 -25.667 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.958 10.967 -26.299 1.00 21.52 N ATOM 0 H ARG B 556 28.090 12.709 -23.094 1.00 10.54 H new ATOM 0 HA ARG B 556 26.998 14.071 -20.755 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.446 15.036 -22.392 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.107 15.235 -22.915 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.295 14.472 -24.895 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.549 12.899 -24.166 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.070 13.441 -23.187 1.00 71.10 H new ATOM 0 HD3 ARG B 556 23.999 14.375 -24.668 1.00 71.10 H new ATOM 0 HE ARG B 556 24.947 11.583 -24.941 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.297 13.904 -25.159 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.319 12.863 -26.199 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.687 10.254 -26.278 1.00 21.52 H new ATOM 0 HH22 ARG B 556 22.102 10.806 -26.830 1.00 21.52 H new ATOM 1899 N GLY B 557 25.672 11.406 -22.111 1.00 54.40 N ATOM 1900 CA GLY B 557 24.662 10.383 -21.914 1.00 51.20 C ATOM 1901 C GLY B 557 24.605 9.892 -20.481 1.00 73.35 C ATOM 1902 O GLY B 557 23.650 10.173 -19.760 1.00 64.24 O ATOM 0 H GLY B 557 26.352 11.201 -22.843 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.687 10.780 -22.198 1.00 51.20 H new ATOM 0 HA3 GLY B 557 24.868 9.541 -22.575 1.00 51.20 H new ATOM 1906 N GLN B 558 25.633 9.155 -20.069 1.00 30.44 N ATOM 1907 CA GLN B 558 25.694 8.622 -18.713 1.00 71.33 C ATOM 1908 C GLN B 558 27.105 8.739 -18.146 1.00 54.22 C ATOM 1909 O GLN B 558 27.297 9.233 -17.035 1.00 65.12 O ATOM 1910 CB GLN B 558 25.246 7.159 -18.696 1.00 32.20 C ATOM 1911 CG GLN B 558 25.911 6.306 -19.764 1.00 10.50 C ATOM 1912 CD GLN B 558 25.258 4.946 -19.916 1.00 44.43 C ATOM 1913 OE1 GLN B 558 25.913 3.912 -19.775 1.00 32.15 O ATOM 1914 NE2 GLN B 558 23.962 4.941 -20.203 1.00 2.10 N ATOM 0 H GLN B 558 26.433 8.914 -20.654 1.00 30.44 H new ATOM 0 HA GLN B 558 25.020 9.209 -18.089 1.00 71.33 H new ATOM 0 HB2 GLN B 558 25.462 6.733 -17.716 1.00 32.20 H new ATOM 0 HB3 GLN B 558 24.165 7.117 -18.830 1.00 32.20 H new ATOM 0 HG2 GLN B 558 25.874 6.831 -20.718 1.00 10.50 H new ATOM 0 HG3 GLN B 558 26.964 6.173 -19.514 1.00 10.50 H new ATOM 0 HE21 GLN B 558 23.460 5.822 -20.311 1.00 2.10 H new ATOM 0 HE22 GLN B 558 23.468 4.056 -20.316 1.00 2.10 H new ATOM 1923 N GLU B 559 28.087 8.282 -18.916 1.00 54.14 N ATOM 1924 CA GLU B 559 29.480 8.337 -18.487 1.00 64.14 C ATOM 1925 C GLU B 559 30.411 7.869 -19.603 1.00 45.44 C ATOM 1926 O GLU B 559 29.958 7.452 -20.669 1.00 54.24 O ATOM 1927 CB GLU B 559 29.688 7.473 -17.241 1.00 42.30 C ATOM 1928 CG GLU B 559 29.569 5.982 -17.506 1.00 15.30 C ATOM 1929 CD GLU B 559 29.267 5.188 -16.250 1.00 15.40 C ATOM 1930 OE1 GLU B 559 30.214 4.623 -15.665 1.00 24.20 O ATOM 1931 OE2 GLU B 559 28.084 5.132 -15.854 1.00 61.43 O1- ATOM 0 H GLU B 559 27.945 7.870 -19.838 1.00 54.14 H new ATOM 0 HA GLU B 559 29.719 9.373 -18.247 1.00 64.14 H new ATOM 0 HB2 GLU B 559 30.674 7.682 -16.825 1.00 42.30 H new ATOM 0 HB3 GLU B 559 28.956 7.758 -16.485 1.00 42.30 H new ATOM 0 HG2 GLU B 559 28.781 5.809 -18.239 1.00 15.30 H new ATOM 0 HG3 GLU B 559 30.498 5.620 -17.946 1.00 15.30 H new ATOM 1938 N ALA B 560 31.713 7.945 -19.350 1.00 3.04 N ATOM 1939 CA ALA B 560 32.707 7.529 -20.331 1.00 50.04 C ATOM 1940 C ALA B 560 32.618 6.030 -20.602 1.00 31.25 C ATOM 1941 O ALA B 560 32.115 5.270 -19.774 1.00 10.24 O ATOM 1942 CB ALA B 560 34.105 7.899 -19.856 1.00 41.05 C ATOM 0 H ALA B 560 32.104 8.291 -18.474 1.00 3.04 H new ATOM 0 HA ALA B 560 32.501 8.053 -21.264 1.00 50.04 H new ATOM 0 HB1 ALA B 560 34.837 7.582 -20.599 1.00 41.05 H new ATOM 0 HB2 ALA B 560 34.169 8.979 -19.720 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.311 7.401 -18.908 1.00 41.05 H new ATOM 1948 N ILE B 561 33.111 5.614 -21.763 1.00 73.03 N ATOM 1949 CA ILE B 561 33.086 4.207 -22.142 1.00 2.23 C ATOM 1950 C ILE B 561 34.241 3.869 -23.078 1.00 30.44 C ATOM 1951 O ILE B 561 34.481 4.567 -24.064 1.00 42.35 O ATOM 1952 CB ILE B 561 31.758 3.830 -22.826 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.406 4.858 -23.903 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.642 3.728 -21.797 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.290 4.411 -24.823 1.00 63.22 C ATOM 0 H ILE B 561 33.532 6.231 -22.457 1.00 73.03 H new ATOM 0 HA ILE B 561 33.187 3.631 -21.222 1.00 2.23 H new ATOM 0 HB ILE B 561 31.874 2.857 -23.303 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.117 5.792 -23.422 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.295 5.068 -24.498 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.710 3.461 -22.296 1.00 51.43 H new ATOM 0 HG22 ILE B 561 30.893 2.962 -21.063 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.522 4.688 -21.294 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.094 5.189 -25.561 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.584 3.493 -25.332 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.388 4.229 -24.239 1.00 63.22 H new ATOM 1967 N LYS B 562 34.955 2.793 -22.765 1.00 34.53 N ATOM 1968 CA LYS B 562 36.084 2.359 -23.579 1.00 5.33 C ATOM 1969 C LYS B 562 36.646 1.037 -23.068 1.00 3.44 C ATOM 1970 O LYS B 562 36.460 0.680 -21.905 1.00 74.43 O ATOM 1971 CB LYS B 562 37.180 3.426 -23.577 1.00 55.54 C ATOM 1972 CG LYS B 562 38.044 3.411 -24.826 1.00 23.25 C ATOM 1973 CD LYS B 562 39.008 4.587 -24.852 1.00 61.12 C ATOM 1974 CE LYS B 562 39.592 4.799 -26.239 1.00 62.12 C ATOM 1975 NZ LYS B 562 38.749 5.708 -27.063 1.00 35.51 N1+ ATOM 0 H LYS B 562 34.771 2.205 -21.952 1.00 34.53 H new ATOM 0 HA LYS B 562 35.730 2.213 -24.599 1.00 5.33 H new ATOM 0 HB2 LYS B 562 36.719 4.409 -23.476 1.00 55.54 H new ATOM 0 HB3 LYS B 562 37.816 3.281 -22.704 1.00 55.54 H new ATOM 0 HG2 LYS B 562 38.606 2.478 -24.870 1.00 23.25 H new ATOM 0 HG3 LYS B 562 37.407 3.442 -25.710 1.00 23.25 H new ATOM 0 HD2 LYS B 562 38.489 5.491 -24.533 1.00 61.12 H new ATOM 0 HD3 LYS B 562 39.814 4.413 -24.139 1.00 61.12 H new ATOM 0 HE2 LYS B 562 40.596 5.215 -26.151 1.00 62.12 H new ATOM 0 HE3 LYS B 562 39.689 3.837 -26.743 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 39.181 5.827 -28.001 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 37.799 5.299 -27.169 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 38.677 6.634 -26.595 1.00 35.51 H new TER 1989 LYS B 562