USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=30 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 104 GLN : amide:sc= -1.86 K(o=-6.9,f=-4.7) USER MOD Set 1.2: A 141 HIS : no HD1:sc= -0.0934 K(o=-6.9,f=-4.7) USER MOD Set 1.3: A 145 GLN : amide:sc= -4.94! C(o=-6.9!,f=-4.7!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc=-0.00774 X(o=-0.0077,f=-0.094) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.101 X(o=-0.1,f=0.17) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -17:sc= -0.518 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+ -135:sc= -0.249 (180deg=-1.12) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 162:sc= -1.56 USER MOD Single : A 92 LYS NZ :NH3+ -153:sc= -0.157 (180deg=-0.838) USER MOD Single : A 94 GLN : amide:sc= -0.0391 K(o=-0.039,f=-3.2!) USER MOD Single : A 97 THR OG1 : rot -102:sc= -1.5 USER MOD Single : A 100 GLN : amide:sc= 0.0444 X(o=0.044,f=-0.059) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.045) 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 180:sc= -0.173 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 MET CE :methyl 158:sc= -0.089 (180deg=-0.51) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 167:sc= -0.0385 (180deg=-0.24) USER MOD Single : A 121 LYS NZ :NH3+ -118:sc= -0.617 (180deg=-2.35!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -178:sc= -0.439 (180deg=-0.449) USER MOD Single : A 130 ASN : amide:sc= -0.453 K(o=-0.45,f=-3.3!) 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 : amide:sc= -1.17 X(o=-1.2,f=-0.78) USER MOD Single : A 136 THR OG1 : rot 23:sc= -0.435 USER MOD Single : B 518 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 519 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 523 THR OG1 : rot 53:sc= 0.0195 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= -1.61 K(o=-1.6,f=-0.9) USER MOD Single : B 532 ASN : amide:sc= -0.0854 K(o=-0.085,f=-0.59) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc= 0 K(o=0,f=-0.71) 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 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot 22:sc= -0.723 USER MOD Single : B 558 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.11) USER MOD Single : B 562 LYS NZ :NH3+ 166:sc=-0.00663 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 53.148 -15.674 -23.019 1.00 74.20 N ATOM 2 CA MET A 69 53.086 -16.056 -24.426 1.00 31.11 C ATOM 3 C MET A 69 51.720 -15.725 -25.019 1.00 50.54 C ATOM 4 O MET A 69 50.813 -16.558 -25.015 1.00 3.54 O ATOM 5 CB MET A 69 53.375 -17.550 -24.584 1.00 33.12 C ATOM 6 CG MET A 69 54.828 -17.857 -24.910 1.00 34.21 C ATOM 7 SD MET A 69 55.879 -17.878 -23.445 1.00 30.11 S ATOM 8 CE MET A 69 57.011 -16.543 -23.821 1.00 32.55 C ATOM 0 HA MET A 69 53.844 -15.488 -24.965 1.00 31.11 H new ATOM 0 HB2 MET A 69 53.102 -18.064 -23.663 1.00 33.12 H new ATOM 0 HB3 MET A 69 52.741 -17.953 -25.374 1.00 33.12 H new ATOM 0 HG2 MET A 69 54.888 -18.824 -25.409 1.00 34.21 H new ATOM 0 HG3 MET A 69 55.204 -17.112 -25.612 1.00 34.21 H new ATOM 0 HE1 MET A 69 57.726 -16.432 -23.006 1.00 32.55 H new ATOM 0 HE2 MET A 69 57.545 -16.768 -24.744 1.00 32.55 H new ATOM 0 HE3 MET A 69 56.452 -15.615 -23.943 1.00 32.55 H new ATOM 18 N ASP A 70 51.580 -14.505 -25.527 1.00 23.23 N ATOM 19 CA ASP A 70 50.325 -14.065 -26.124 1.00 34.14 C ATOM 20 C ASP A 70 49.921 -14.980 -27.275 1.00 65.45 C ATOM 21 O ASP A 70 50.704 -15.221 -28.194 1.00 24.10 O ATOM 22 CB ASP A 70 50.450 -12.624 -26.620 1.00 21.10 C ATOM 23 CG ASP A 70 50.639 -11.635 -25.487 1.00 71.45 C ATOM 24 OD1 ASP A 70 50.710 -12.077 -24.320 1.00 15.14 O ATOM 25 OD2 ASP A 70 50.717 -10.421 -25.766 1.00 53.42 O1- ATOM 0 H ASP A 70 52.320 -13.804 -25.537 1.00 23.23 H new ATOM 0 HA ASP A 70 49.550 -14.111 -25.359 1.00 34.14 H new ATOM 0 HB2 ASP A 70 51.294 -12.551 -27.306 1.00 21.10 H new ATOM 0 HB3 ASP A 70 49.556 -12.359 -27.185 1.00 21.10 H new ATOM 30 N ASN A 71 48.693 -15.487 -27.220 1.00 22.14 N ATOM 31 CA ASN A 71 48.186 -16.378 -28.258 1.00 34.12 C ATOM 32 C ASN A 71 47.282 -15.622 -29.227 1.00 4.12 C ATOM 33 O ASN A 71 46.121 -15.347 -28.923 1.00 65.53 O ATOM 34 CB ASN A 71 47.419 -17.542 -27.629 1.00 71.13 C ATOM 35 CG ASN A 71 46.530 -18.256 -28.630 1.00 0.32 C ATOM 36 OD1 ASN A 71 45.314 -18.072 -28.639 1.00 3.23 O ATOM 37 ND2 ASN A 71 47.137 -19.078 -29.478 1.00 4.42 N ATOM 0 H ASN A 71 48.031 -15.296 -26.468 1.00 22.14 H new ATOM 0 HA ASN A 71 49.037 -16.771 -28.814 1.00 34.12 H new ATOM 0 HB2 ASN A 71 48.127 -18.253 -27.204 1.00 71.13 H new ATOM 0 HB3 ASN A 71 46.809 -17.169 -26.806 1.00 71.13 H new ATOM 0 HD21 ASN A 71 46.592 -19.587 -30.173 1.00 4.42 H new ATOM 0 HD22 ASN A 71 48.149 -19.200 -29.434 1.00 4.42 H new ATOM 44 N SER A 72 47.822 -15.290 -30.396 1.00 3.04 N ATOM 45 CA SER A 72 47.066 -14.564 -31.409 1.00 45.25 C ATOM 46 C SER A 72 45.822 -15.345 -31.822 1.00 31.43 C ATOM 47 O SER A 72 45.791 -16.573 -31.737 1.00 24.42 O ATOM 48 CB SER A 72 47.943 -14.294 -32.634 1.00 33.44 C ATOM 49 OG SER A 72 48.960 -13.354 -32.335 1.00 30.22 O ATOM 0 H SER A 72 48.781 -15.513 -30.664 1.00 3.04 H new ATOM 0 HA SER A 72 46.751 -13.613 -30.980 1.00 45.25 H new ATOM 0 HB2 SER A 72 48.394 -15.226 -32.975 1.00 33.44 H new ATOM 0 HB3 SER A 72 47.326 -13.920 -33.451 1.00 33.44 H new ATOM 0 HG SER A 72 49.508 -13.200 -33.133 1.00 30.22 H new ATOM 55 N ALA A 73 44.800 -14.624 -32.270 1.00 32.23 N ATOM 56 CA ALA A 73 43.554 -15.249 -32.699 1.00 1.24 C ATOM 57 C ALA A 73 42.978 -14.542 -33.921 1.00 73.54 C ATOM 58 O ALA A 73 42.950 -13.314 -33.984 1.00 43.12 O ATOM 59 CB ALA A 73 42.544 -15.246 -31.560 1.00 50.03 C ATOM 0 H ALA A 73 44.810 -13.607 -32.346 1.00 32.23 H new ATOM 0 HA ALA A 73 43.770 -16.281 -32.977 1.00 1.24 H new ATOM 0 HB1 ALA A 73 41.618 -15.715 -31.893 1.00 50.03 H new ATOM 0 HB2 ALA A 73 42.948 -15.802 -30.714 1.00 50.03 H new ATOM 0 HB3 ALA A 73 42.341 -14.219 -31.256 1.00 50.03 H new ATOM 65 N SER A 74 42.522 -15.327 -34.892 1.00 65.05 N ATOM 66 CA SER A 74 41.950 -14.777 -36.115 1.00 24.22 C ATOM 67 C SER A 74 40.453 -14.531 -35.953 1.00 51.35 C ATOM 68 O SER A 74 39.642 -15.444 -36.111 1.00 13.12 O ATOM 69 CB SER A 74 42.199 -15.724 -37.291 1.00 11.40 C ATOM 70 OG SER A 74 41.596 -15.236 -38.476 1.00 64.15 O ATOM 0 H SER A 74 42.538 -16.346 -34.855 1.00 65.05 H new ATOM 0 HA SER A 74 42.437 -13.823 -36.317 1.00 24.22 H new ATOM 0 HB2 SER A 74 43.271 -15.841 -37.447 1.00 11.40 H new ATOM 0 HB3 SER A 74 41.801 -16.712 -37.057 1.00 11.40 H new ATOM 0 HG SER A 74 41.771 -15.858 -39.212 1.00 64.15 H new ATOM 76 N LYS A 75 40.095 -13.291 -35.637 1.00 51.20 N ATOM 77 CA LYS A 75 38.696 -12.922 -35.454 1.00 61.13 C ATOM 78 C LYS A 75 38.057 -13.745 -34.341 1.00 14.21 C ATOM 79 O LYS A 75 37.634 -14.880 -34.560 1.00 53.03 O ATOM 80 CB LYS A 75 37.921 -13.121 -36.759 1.00 4.54 C ATOM 81 CG LYS A 75 36.418 -12.956 -36.603 1.00 70.10 C ATOM 82 CD LYS A 75 35.872 -11.902 -37.552 1.00 22.54 C ATOM 83 CE LYS A 75 34.354 -11.964 -37.640 1.00 42.01 C ATOM 84 NZ LYS A 75 33.748 -10.608 -37.735 1.00 3.24 N1+ ATOM 0 H LYS A 75 40.754 -12.524 -35.502 1.00 51.20 H new ATOM 0 HA LYS A 75 38.657 -11.870 -35.171 1.00 61.13 H new ATOM 0 HB2 LYS A 75 38.282 -12.407 -37.499 1.00 4.54 H new ATOM 0 HB3 LYS A 75 38.131 -14.117 -37.148 1.00 4.54 H new ATOM 0 HG2 LYS A 75 35.925 -13.909 -36.793 1.00 70.10 H new ATOM 0 HG3 LYS A 75 36.186 -12.677 -35.575 1.00 70.10 H new ATOM 0 HD2 LYS A 75 36.178 -10.912 -37.213 1.00 22.54 H new ATOM 0 HD3 LYS A 75 36.301 -12.046 -38.544 1.00 22.54 H new ATOM 0 HE2 LYS A 75 34.065 -12.553 -38.510 1.00 42.01 H new ATOM 0 HE3 LYS A 75 33.960 -12.477 -36.763 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 32.713 -10.694 -37.793 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 34.003 -10.054 -36.893 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 34.104 -10.128 -38.586 1.00 3.24 H new ATOM 98 N ASN A 76 37.989 -13.166 -33.147 1.00 3.42 N ATOM 99 CA ASN A 76 37.400 -13.846 -31.999 1.00 15.21 C ATOM 100 C ASN A 76 35.877 -13.844 -32.088 1.00 1.14 C ATOM 101 O ASN A 76 35.302 -13.336 -33.050 1.00 24.43 O ATOM 102 CB ASN A 76 37.847 -13.176 -30.698 1.00 52.35 C ATOM 103 CG ASN A 76 37.208 -11.815 -30.500 1.00 1.44 C ATOM 104 OD1 ASN A 76 36.155 -11.697 -29.874 1.00 51.55 O ATOM 105 ND2 ASN A 76 37.846 -10.780 -31.033 1.00 51.31 N ATOM 0 H ASN A 76 38.335 -12.227 -32.949 1.00 3.42 H new ATOM 0 HA ASN A 76 37.745 -14.880 -32.004 1.00 15.21 H new ATOM 0 HB2 ASN A 76 37.594 -13.819 -29.855 1.00 52.35 H new ATOM 0 HB3 ASN A 76 38.932 -13.068 -30.702 1.00 52.35 H new ATOM 0 HD21 ASN A 76 37.466 -9.839 -30.932 1.00 51.31 H new ATOM 0 HD22 ASN A 76 38.717 -10.926 -31.544 1.00 51.31 H new ATOM 112 N SER A 77 35.230 -14.416 -31.077 1.00 4.44 N ATOM 113 CA SER A 77 33.773 -14.483 -31.043 1.00 12.05 C ATOM 114 C SER A 77 33.205 -13.449 -30.077 1.00 25.02 C ATOM 115 O SER A 77 33.757 -13.218 -29.001 1.00 34.10 O ATOM 116 CB SER A 77 33.317 -15.885 -30.634 1.00 2.00 C ATOM 117 OG SER A 77 34.037 -16.882 -31.337 1.00 22.15 O ATOM 0 H SER A 77 35.691 -14.839 -30.272 1.00 4.44 H new ATOM 0 HA SER A 77 33.399 -14.264 -32.043 1.00 12.05 H new ATOM 0 HB2 SER A 77 33.459 -16.018 -29.561 1.00 2.00 H new ATOM 0 HB3 SER A 77 32.251 -15.996 -30.831 1.00 2.00 H new ATOM 0 HG SER A 77 33.728 -17.768 -31.056 1.00 22.15 H new ATOM 123 N ALA A 78 32.097 -12.828 -30.469 1.00 22.23 N ATOM 124 CA ALA A 78 31.452 -11.818 -29.639 1.00 11.51 C ATOM 125 C ALA A 78 30.382 -12.442 -28.750 1.00 34.52 C ATOM 126 O ALA A 78 29.352 -12.910 -29.238 1.00 71.44 O ATOM 127 CB ALA A 78 30.849 -10.726 -30.508 1.00 23.42 C ATOM 0 H ALA A 78 31.627 -13.007 -31.357 1.00 22.23 H new ATOM 0 HA ALA A 78 32.210 -11.374 -28.994 1.00 11.51 H new ATOM 0 HB1 ALA A 78 30.371 -9.979 -29.874 1.00 23.42 H new ATOM 0 HB2 ALA A 78 31.636 -10.253 -31.096 1.00 23.42 H new ATOM 0 HB3 ALA A 78 30.108 -11.162 -31.178 1.00 23.42 H new ATOM 133 N ILE A 79 30.630 -12.444 -27.445 1.00 74.14 N ATOM 134 CA ILE A 79 29.686 -13.010 -26.489 1.00 71.01 C ATOM 135 C ILE A 79 29.526 -12.105 -25.272 1.00 71.13 C ATOM 136 O ILE A 79 30.140 -12.333 -24.231 1.00 10.44 O ATOM 137 CB ILE A 79 30.131 -14.408 -26.019 1.00 31.22 C ATOM 138 CG1 ILE A 79 30.361 -15.325 -27.222 1.00 14.41 C ATOM 139 CG2 ILE A 79 29.093 -15.006 -25.081 1.00 3.00 C ATOM 140 CD1 ILE A 79 31.026 -16.635 -26.864 1.00 1.13 C ATOM 0 H ILE A 79 31.477 -12.060 -27.025 1.00 74.14 H new ATOM 0 HA ILE A 79 28.729 -13.095 -27.004 1.00 71.01 H new ATOM 0 HB ILE A 79 31.071 -14.311 -25.475 1.00 31.22 H new ATOM 0 HG12 ILE A 79 29.403 -15.532 -27.700 1.00 14.41 H new ATOM 0 HG13 ILE A 79 30.976 -14.803 -27.954 1.00 14.41 H new ATOM 0 HG21 ILE A 79 29.421 -15.994 -24.757 1.00 3.00 H new ATOM 0 HG22 ILE A 79 28.974 -14.360 -24.211 1.00 3.00 H new ATOM 0 HG23 ILE A 79 28.139 -15.093 -25.602 1.00 3.00 H new ATOM 0 HD11 ILE A 79 31.158 -17.234 -27.765 1.00 1.13 H new ATOM 0 HD12 ILE A 79 31.999 -16.438 -26.414 1.00 1.13 H new ATOM 0 HD13 ILE A 79 30.401 -17.178 -26.155 1.00 1.13 H new ATOM 152 N SER A 80 28.695 -11.076 -25.412 1.00 54.20 N ATOM 153 CA SER A 80 28.455 -10.135 -24.326 1.00 1.35 C ATOM 154 C SER A 80 27.126 -9.410 -24.518 1.00 11.25 C ATOM 155 O SER A 80 26.578 -9.378 -25.620 1.00 61.02 O ATOM 156 CB SER A 80 29.596 -9.118 -24.242 1.00 45.00 C ATOM 157 OG SER A 80 29.902 -8.590 -25.520 1.00 4.14 O ATOM 0 H SER A 80 28.177 -10.874 -26.267 1.00 54.20 H new ATOM 0 HA SER A 80 28.410 -10.698 -23.394 1.00 1.35 H new ATOM 0 HB2 SER A 80 29.317 -8.308 -23.568 1.00 45.00 H new ATOM 0 HB3 SER A 80 30.481 -9.594 -23.820 1.00 45.00 H new ATOM 0 HG SER A 80 30.633 -7.942 -25.440 1.00 4.14 H new ATOM 163 N SER A 81 26.615 -8.829 -23.437 1.00 72.10 N ATOM 164 CA SER A 81 25.348 -8.108 -23.485 1.00 3.34 C ATOM 165 C SER A 81 25.558 -6.623 -23.203 1.00 74.11 C ATOM 166 O SER A 81 24.726 -5.978 -22.565 1.00 52.22 O ATOM 167 CB SER A 81 24.363 -8.696 -22.473 1.00 32.25 C ATOM 168 OG SER A 81 24.973 -8.862 -21.205 1.00 4.53 O ATOM 0 H SER A 81 27.058 -8.843 -22.518 1.00 72.10 H new ATOM 0 HA SER A 81 24.935 -8.216 -24.488 1.00 3.34 H new ATOM 0 HB2 SER A 81 23.497 -8.040 -22.380 1.00 32.25 H new ATOM 0 HB3 SER A 81 23.998 -9.658 -22.833 1.00 32.25 H new ATOM 0 HG SER A 81 24.322 -9.238 -20.576 1.00 4.53 H new ATOM 174 N SER A 82 26.675 -6.087 -23.685 1.00 64.12 N ATOM 175 CA SER A 82 26.997 -4.680 -23.483 1.00 73.52 C ATOM 176 C SER A 82 26.486 -3.833 -24.645 1.00 10.43 C ATOM 177 O SER A 82 27.265 -3.183 -25.342 1.00 22.43 O ATOM 178 CB SER A 82 28.508 -4.498 -23.330 1.00 44.04 C ATOM 179 OG SER A 82 28.994 -5.202 -22.200 1.00 54.11 O ATOM 0 H SER A 82 27.372 -6.607 -24.218 1.00 64.12 H new ATOM 0 HA SER A 82 26.504 -4.347 -22.570 1.00 73.52 H new ATOM 0 HB2 SER A 82 29.013 -4.853 -24.228 1.00 44.04 H new ATOM 0 HB3 SER A 82 28.742 -3.438 -23.230 1.00 44.04 H new ATOM 0 HG SER A 82 29.962 -5.071 -22.125 1.00 54.11 H new ATOM 185 N ILE A 83 25.173 -3.847 -24.846 1.00 3.54 N ATOM 186 CA ILE A 83 24.558 -3.081 -25.922 1.00 1.04 C ATOM 187 C ILE A 83 24.795 -1.586 -25.737 1.00 52.44 C ATOM 188 O ILE A 83 25.061 -0.864 -26.699 1.00 74.14 O ATOM 189 CB ILE A 83 23.042 -3.342 -26.004 1.00 20.12 C ATOM 190 CG1 ILE A 83 22.772 -4.829 -26.246 1.00 73.13 C ATOM 191 CG2 ILE A 83 22.419 -2.499 -27.107 1.00 13.24 C ATOM 192 CD1 ILE A 83 21.302 -5.162 -26.378 1.00 71.04 C ATOM 0 H ILE A 83 24.515 -4.380 -24.278 1.00 3.54 H new ATOM 0 HA ILE A 83 25.026 -3.409 -26.850 1.00 1.04 H new ATOM 0 HB ILE A 83 22.587 -3.058 -25.055 1.00 20.12 H new ATOM 0 HG12 ILE A 83 23.290 -5.141 -27.153 1.00 73.13 H new ATOM 0 HG13 ILE A 83 23.194 -5.405 -25.423 1.00 73.13 H new ATOM 0 HG21 ILE A 83 21.348 -2.694 -27.153 1.00 13.24 H new ATOM 0 HG22 ILE A 83 22.587 -1.443 -26.896 1.00 13.24 H new ATOM 0 HG23 ILE A 83 22.876 -2.755 -28.063 1.00 13.24 H new ATOM 0 HD11 ILE A 83 21.185 -6.232 -26.548 1.00 71.04 H new ATOM 0 HD12 ILE A 83 20.782 -4.881 -25.462 1.00 71.04 H new ATOM 0 HD13 ILE A 83 20.879 -4.613 -27.219 1.00 71.04 H new ATOM 204 N PHE A 84 24.699 -1.126 -24.494 1.00 22.43 N ATOM 205 CA PHE A 84 24.904 0.283 -24.182 1.00 52.22 C ATOM 206 C PHE A 84 26.286 0.745 -24.635 1.00 1.23 C ATOM 207 O PHE A 84 26.440 1.841 -25.174 1.00 0.11 O ATOM 208 CB PHE A 84 24.740 0.524 -22.679 1.00 51.20 C ATOM 209 CG PHE A 84 23.908 1.731 -22.353 1.00 42.14 C ATOM 210 CD1 PHE A 84 22.524 1.668 -22.402 1.00 24.13 C ATOM 211 CD2 PHE A 84 24.509 2.927 -21.997 1.00 23.11 C ATOM 212 CE1 PHE A 84 21.755 2.777 -22.102 1.00 43.41 C ATOM 213 CE2 PHE A 84 23.745 4.040 -21.696 1.00 3.54 C ATOM 214 CZ PHE A 84 22.367 3.965 -21.749 1.00 63.45 C ATOM 0 H PHE A 84 24.480 -1.709 -23.686 1.00 22.43 H new ATOM 0 HA PHE A 84 24.153 0.861 -24.720 1.00 52.22 H new ATOM 0 HB2 PHE A 84 24.283 -0.356 -22.226 1.00 51.20 H new ATOM 0 HB3 PHE A 84 25.726 0.639 -22.228 1.00 51.20 H new ATOM 0 HD1 PHE A 84 22.041 0.742 -22.678 1.00 24.13 H new ATOM 0 HD2 PHE A 84 25.586 2.991 -21.954 1.00 23.11 H new ATOM 0 HE1 PHE A 84 20.678 2.715 -22.143 1.00 43.41 H new ATOM 0 HE2 PHE A 84 24.226 4.967 -21.420 1.00 3.54 H new ATOM 0 HZ PHE A 84 21.769 4.833 -21.515 1.00 63.45 H new ATOM 224 N CYS A 85 27.288 -0.097 -24.409 1.00 41.44 N ATOM 225 CA CYS A 85 28.658 0.224 -24.792 1.00 10.24 C ATOM 226 C CYS A 85 28.873 -0.001 -26.285 1.00 23.33 C ATOM 227 O CYS A 85 29.543 0.787 -26.951 1.00 44.32 O ATOM 228 CB CYS A 85 29.646 -0.623 -23.989 1.00 12.32 C ATOM 229 SG CYS A 85 31.373 -0.408 -24.479 1.00 24.32 S ATOM 0 H CYS A 85 27.177 -1.007 -23.962 1.00 41.44 H new ATOM 0 HA CYS A 85 28.832 1.278 -24.573 1.00 10.24 H new ATOM 0 HB2 CYS A 85 29.546 -0.374 -22.932 1.00 12.32 H new ATOM 0 HB3 CYS A 85 29.377 -1.674 -24.096 1.00 12.32 H new ATOM 0 HG CYS A 85 31.425 0.148 -25.653 1.00 24.32 H new ATOM 235 N GLU A 86 28.300 -1.083 -26.802 1.00 41.31 N ATOM 236 CA GLU A 86 28.431 -1.413 -28.217 1.00 23.33 C ATOM 237 C GLU A 86 28.010 -0.235 -29.092 1.00 54.43 C ATOM 238 O GLU A 86 28.481 -0.085 -30.220 1.00 14.41 O ATOM 239 CB GLU A 86 27.587 -2.643 -28.557 1.00 70.34 C ATOM 240 CG GLU A 86 27.833 -3.183 -29.957 1.00 12.31 C ATOM 241 CD GLU A 86 26.599 -3.822 -30.561 1.00 71.01 C ATOM 242 OE1 GLU A 86 25.607 -3.097 -30.789 1.00 12.02 O ATOM 243 OE2 GLU A 86 26.622 -5.046 -30.806 1.00 72.23 O1- ATOM 0 H GLU A 86 27.741 -1.745 -26.264 1.00 41.31 H new ATOM 0 HA GLU A 86 29.479 -1.635 -28.417 1.00 23.33 H new ATOM 0 HB2 GLU A 86 27.797 -3.429 -27.832 1.00 70.34 H new ATOM 0 HB3 GLU A 86 26.532 -2.389 -28.455 1.00 70.34 H new ATOM 0 HG2 GLU A 86 28.169 -2.371 -30.602 1.00 12.31 H new ATOM 0 HG3 GLU A 86 28.638 -3.917 -29.923 1.00 12.31 H new ATOM 250 N LYS A 87 27.119 0.597 -28.564 1.00 3.45 N ATOM 251 CA LYS A 87 26.633 1.762 -29.294 1.00 44.40 C ATOM 252 C LYS A 87 27.795 2.581 -29.846 1.00 54.55 C ATOM 253 O LYS A 87 27.659 3.262 -30.864 1.00 13.23 O ATOM 254 CB LYS A 87 25.766 2.634 -28.383 1.00 41.11 C ATOM 255 CG LYS A 87 24.302 2.666 -28.785 1.00 30.21 C ATOM 256 CD LYS A 87 23.575 1.408 -28.342 1.00 62.43 C ATOM 257 CE LYS A 87 23.014 1.555 -26.936 1.00 44.42 C ATOM 258 NZ LYS A 87 21.672 2.201 -26.938 1.00 70.52 N1+ ATOM 0 H LYS A 87 26.718 0.486 -27.633 1.00 3.45 H new ATOM 0 HA LYS A 87 26.030 1.411 -30.131 1.00 44.40 H new ATOM 0 HB2 LYS A 87 25.845 2.267 -27.360 1.00 41.11 H new ATOM 0 HB3 LYS A 87 26.158 3.651 -28.388 1.00 41.11 H new ATOM 0 HG2 LYS A 87 23.822 3.539 -28.344 1.00 30.21 H new ATOM 0 HG3 LYS A 87 24.223 2.771 -29.867 1.00 30.21 H new ATOM 0 HD2 LYS A 87 22.764 1.191 -29.038 1.00 62.43 H new ATOM 0 HD3 LYS A 87 24.259 0.560 -28.375 1.00 62.43 H new ATOM 0 HE2 LYS A 87 22.943 0.573 -26.469 1.00 44.42 H new ATOM 0 HE3 LYS A 87 23.701 2.147 -26.331 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 21.325 2.283 -25.961 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.744 3.149 -27.360 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 21.009 1.623 -27.494 1.00 70.52 H new ATOM 272 N TYR A 88 28.937 2.510 -29.170 1.00 73.21 N ATOM 273 CA TYR A 88 30.121 3.247 -29.594 1.00 74.10 C ATOM 274 C TYR A 88 30.392 3.036 -31.080 1.00 50.10 C ATOM 275 O TYR A 88 30.912 3.921 -31.761 1.00 0.51 O ATOM 276 CB TYR A 88 31.338 2.809 -28.777 1.00 0.31 C ATOM 277 CG TYR A 88 32.054 1.608 -29.351 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.450 0.358 -29.368 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.336 1.724 -29.876 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.101 -0.743 -29.891 1.00 5.54 C ATOM 281 CE2 TYR A 88 33.993 0.629 -30.403 1.00 45.43 C ATOM 282 CZ TYR A 88 33.371 -0.602 -30.408 1.00 51.51 C ATOM 283 OH TYR A 88 34.025 -1.695 -30.930 1.00 33.11 O ATOM 0 H TYR A 88 29.067 1.950 -28.327 1.00 73.21 H new ATOM 0 HA TYR A 88 29.937 4.308 -29.424 1.00 74.10 H new ATOM 0 HB2 TYR A 88 32.039 3.641 -28.711 1.00 0.31 H new ATOM 0 HB3 TYR A 88 31.019 2.579 -27.760 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.454 0.244 -28.966 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.826 2.686 -29.872 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.617 -1.709 -29.895 1.00 5.54 H new ATOM 0 HE2 TYR A 88 34.988 0.736 -30.809 1.00 45.43 H new ATOM 0 HH TYR A 88 34.909 -1.423 -31.253 1.00 33.11 H new ATOM 293 N LYS A 89 30.036 1.857 -31.579 1.00 34.53 N ATOM 294 CA LYS A 89 30.236 1.528 -32.985 1.00 32.43 C ATOM 295 C LYS A 89 29.338 2.379 -33.877 1.00 22.43 C ATOM 296 O LYS A 89 29.822 3.147 -34.707 1.00 3.10 O ATOM 297 CB LYS A 89 29.955 0.043 -33.228 1.00 53.34 C ATOM 298 CG LYS A 89 30.511 -0.475 -34.542 1.00 63.43 C ATOM 299 CD LYS A 89 29.649 -1.589 -35.113 1.00 14.45 C ATOM 300 CE LYS A 89 28.520 -1.037 -35.970 1.00 72.22 C ATOM 301 NZ LYS A 89 27.310 -0.726 -35.159 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.607 1.113 -31.029 1.00 34.53 H new ATOM 0 HA LYS A 89 31.275 1.741 -33.237 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.381 -0.537 -32.409 1.00 53.34 H new ATOM 0 HB3 LYS A 89 28.878 -0.122 -33.209 1.00 53.34 H new ATOM 0 HG2 LYS A 89 30.572 0.343 -35.260 1.00 63.43 H new ATOM 0 HG3 LYS A 89 31.526 -0.841 -34.389 1.00 63.43 H new ATOM 0 HD2 LYS A 89 30.267 -2.259 -35.711 1.00 14.45 H new ATOM 0 HD3 LYS A 89 29.233 -2.182 -34.299 1.00 14.45 H new ATOM 0 HE2 LYS A 89 28.858 -0.134 -36.479 1.00 72.22 H new ATOM 0 HE3 LYS A 89 28.263 -1.761 -36.743 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 26.464 -1.084 -35.646 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 27.391 -1.180 -34.227 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 27.229 0.304 -35.037 1.00 43.33 H new ATOM 315 N GLN A 90 28.028 2.237 -33.698 1.00 2.13 N ATOM 316 CA GLN A 90 27.063 2.994 -34.487 1.00 14.13 C ATOM 317 C GLN A 90 27.306 4.493 -34.351 1.00 2.13 C ATOM 318 O GLN A 90 27.169 5.246 -35.315 1.00 41.43 O ATOM 319 CB GLN A 90 25.637 2.654 -34.050 1.00 44.13 C ATOM 320 CG GLN A 90 24.596 2.900 -35.130 1.00 72.41 C ATOM 321 CD GLN A 90 24.528 1.775 -36.144 1.00 65.22 C ATOM 322 OE1 GLN A 90 25.077 1.879 -37.241 1.00 14.22 O ATOM 323 NE2 GLN A 90 23.853 0.692 -35.781 1.00 61.02 N ATOM 0 H GLN A 90 27.611 1.605 -33.014 1.00 2.13 H new ATOM 0 HA GLN A 90 27.190 2.718 -35.534 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.597 1.607 -33.750 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.384 3.247 -33.171 1.00 44.13 H new ATOM 0 HG2 GLN A 90 23.618 3.024 -34.665 1.00 72.41 H new ATOM 0 HG3 GLN A 90 24.825 3.834 -35.644 1.00 72.41 H new ATOM 0 HE21 GLN A 90 23.414 0.649 -34.861 1.00 61.02 H new ATOM 0 HE22 GLN A 90 23.773 -0.098 -36.421 1.00 61.02 H new ATOM 332 N THR A 91 27.666 4.922 -33.144 1.00 22.11 N ATOM 333 CA THR A 91 27.926 6.332 -32.880 1.00 23.40 C ATOM 334 C THR A 91 29.099 6.840 -33.711 1.00 53.31 C ATOM 335 O THR A 91 28.971 7.810 -34.458 1.00 13.14 O ATOM 336 CB THR A 91 28.223 6.579 -31.390 1.00 43.34 C ATOM 337 OG1 THR A 91 29.413 5.882 -31.005 1.00 21.23 O ATOM 338 CG2 THR A 91 27.058 6.122 -30.523 1.00 21.32 C ATOM 0 H THR A 91 27.784 4.313 -32.335 1.00 22.11 H new ATOM 0 HA THR A 91 27.024 6.877 -33.158 1.00 23.40 H new ATOM 0 HB THR A 91 28.367 7.650 -31.244 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.756 6.258 -30.168 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.291 6.306 -29.474 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.160 6.676 -30.798 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.888 5.056 -30.675 1.00 21.32 H new ATOM 346 N LYS A 92 30.243 6.177 -33.578 1.00 31.12 N ATOM 347 CA LYS A 92 31.440 6.559 -34.318 1.00 63.03 C ATOM 348 C LYS A 92 31.164 6.598 -35.816 1.00 75.23 C ATOM 349 O LYS A 92 31.591 7.519 -36.511 1.00 51.33 O ATOM 350 CB LYS A 92 32.580 5.582 -34.022 1.00 4.45 C ATOM 351 CG LYS A 92 33.935 6.254 -33.872 1.00 1.42 C ATOM 352 CD LYS A 92 34.229 6.595 -32.421 1.00 63.25 C ATOM 353 CE LYS A 92 35.721 6.764 -32.180 1.00 65.32 C ATOM 354 NZ LYS A 92 36.477 5.520 -32.491 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.366 5.372 -32.964 1.00 31.12 H new ATOM 0 HA LYS A 92 31.734 7.558 -33.996 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.351 5.037 -33.106 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.635 4.847 -34.825 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.714 5.596 -34.257 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.960 7.163 -34.473 1.00 1.42 H new ATOM 0 HD2 LYS A 92 33.709 7.514 -32.149 1.00 63.25 H new ATOM 0 HD3 LYS A 92 33.842 5.807 -31.775 1.00 63.25 H new ATOM 0 HE2 LYS A 92 36.098 7.581 -32.795 1.00 65.32 H new ATOM 0 HE3 LYS A 92 35.892 7.042 -31.140 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 37.346 5.490 -31.921 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 35.889 4.692 -32.269 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 36.725 5.508 -33.501 1.00 44.20 H new ATOM 368 N GLU A 93 30.446 5.593 -36.308 1.00 42.21 N ATOM 369 CA GLU A 93 30.113 5.514 -37.725 1.00 71.42 C ATOM 370 C GLU A 93 29.275 6.714 -38.154 1.00 60.11 C ATOM 371 O GLU A 93 29.529 7.321 -39.195 1.00 73.42 O ATOM 372 CB GLU A 93 29.358 4.217 -38.023 1.00 74.41 C ATOM 373 CG GLU A 93 28.895 4.100 -39.466 1.00 73.24 C ATOM 374 CD GLU A 93 28.276 2.750 -39.771 1.00 1.03 C ATOM 375 OE1 GLU A 93 27.090 2.550 -39.436 1.00 63.11 O ATOM 376 OE2 GLU A 93 28.979 1.893 -40.348 1.00 60.10 O1- ATOM 0 H GLU A 93 30.084 4.823 -35.746 1.00 42.21 H new ATOM 0 HA GLU A 93 31.044 5.522 -38.292 1.00 71.42 H new ATOM 0 HB2 GLU A 93 30.001 3.369 -37.787 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.491 4.152 -37.366 1.00 74.41 H new ATOM 0 HG2 GLU A 93 28.168 4.885 -39.675 1.00 73.24 H new ATOM 0 HG3 GLU A 93 29.743 4.265 -40.131 1.00 73.24 H new ATOM 383 N GLN A 94 28.274 7.050 -37.346 1.00 40.54 N ATOM 384 CA GLN A 94 27.397 8.176 -37.643 1.00 30.21 C ATOM 385 C GLN A 94 28.179 9.485 -37.657 1.00 52.42 C ATOM 386 O GLN A 94 27.880 10.390 -38.435 1.00 15.43 O ATOM 387 CB GLN A 94 26.267 8.254 -36.615 1.00 23.31 C ATOM 388 CG GLN A 94 25.064 7.394 -36.968 1.00 1.33 C ATOM 389 CD GLN A 94 23.969 7.466 -35.924 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.097 8.333 -35.979 1.00 50.12 O ATOM 391 NE2 GLN A 94 24.007 6.550 -34.961 1.00 14.24 N ATOM 0 H GLN A 94 28.051 6.558 -36.481 1.00 40.54 H new ATOM 0 HA GLN A 94 26.968 8.019 -38.633 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.650 7.947 -35.642 1.00 23.31 H new ATOM 0 HB3 GLN A 94 25.946 9.291 -36.518 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.664 7.713 -37.931 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.384 6.358 -37.083 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.748 5.849 -34.953 1.00 14.24 H new ATOM 0 HE22 GLN A 94 23.295 6.548 -34.230 1.00 14.24 H new ATOM 400 N ALA A 95 29.183 9.579 -36.789 1.00 25.00 N ATOM 401 CA ALA A 95 30.008 10.778 -36.703 1.00 45.15 C ATOM 402 C ALA A 95 30.854 10.953 -37.959 1.00 70.10 C ATOM 403 O ALA A 95 30.732 11.952 -38.669 1.00 11.14 O ATOM 404 CB ALA A 95 30.897 10.718 -35.470 1.00 72.43 C ATOM 0 H ALA A 95 29.444 8.840 -36.137 1.00 25.00 H new ATOM 0 HA ALA A 95 29.346 11.640 -36.619 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.508 11.619 -35.418 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.276 10.648 -34.577 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.545 9.844 -35.531 1.00 72.43 H new ATOM 410 N LEU A 96 31.713 9.976 -38.229 1.00 21.34 N ATOM 411 CA LEU A 96 32.582 10.022 -39.401 1.00 71.41 C ATOM 412 C LEU A 96 31.767 10.221 -40.675 1.00 65.14 C ATOM 413 O LEU A 96 32.176 10.949 -41.580 1.00 60.24 O ATOM 414 CB LEU A 96 33.403 8.736 -39.502 1.00 41.41 C ATOM 415 CG LEU A 96 32.617 7.428 -39.401 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.175 6.963 -40.779 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.454 6.356 -38.718 1.00 62.41 C ATOM 0 H LEU A 96 31.827 9.142 -37.653 1.00 21.34 H new ATOM 0 HA LEU A 96 33.259 10.869 -39.289 1.00 71.41 H new ATOM 0 HB2 LEU A 96 33.937 8.743 -40.452 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.155 8.746 -38.713 1.00 41.41 H new ATOM 0 HG LEU A 96 31.727 7.606 -38.798 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.617 6.031 -40.687 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.539 7.723 -41.233 1.00 0.51 H new ATOM 0 HD13 LEU A 96 33.051 6.801 -41.407 1.00 0.51 H new ATOM 0 HD21 LEU A 96 32.880 5.432 -38.654 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.362 6.180 -39.295 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.721 6.687 -37.714 1.00 62.41 H new ATOM 429 N THR A 97 30.609 9.570 -40.738 1.00 53.12 N ATOM 430 CA THR A 97 29.736 9.675 -41.900 1.00 4.23 C ATOM 431 C THR A 97 29.246 11.106 -42.092 1.00 42.31 C ATOM 432 O THR A 97 29.300 11.648 -43.196 1.00 43.35 O ATOM 433 CB THR A 97 28.518 8.740 -41.775 1.00 75.23 C ATOM 434 OG1 THR A 97 27.939 8.863 -40.471 1.00 52.14 O ATOM 435 CG2 THR A 97 28.919 7.294 -42.023 1.00 3.45 C ATOM 0 H THR A 97 30.255 8.965 -39.998 1.00 53.12 H new ATOM 0 HA THR A 97 30.326 9.376 -42.766 1.00 4.23 H new ATOM 0 HB THR A 97 27.785 9.031 -42.527 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.217 8.104 -39.917 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.043 6.652 -41.929 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.333 7.198 -43.027 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.669 6.994 -41.291 1.00 3.45 H new ATOM 443 N PHE A 98 28.768 11.712 -41.010 1.00 64.32 N ATOM 444 CA PHE A 98 28.268 13.081 -41.060 1.00 20.12 C ATOM 445 C PHE A 98 29.412 14.072 -41.247 1.00 70.44 C ATOM 446 O PHE A 98 29.223 15.161 -41.790 1.00 24.53 O ATOM 447 CB PHE A 98 27.497 13.412 -39.780 1.00 4.32 C ATOM 448 CG PHE A 98 28.094 14.545 -38.997 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.800 15.860 -39.322 1.00 53.24 C ATOM 450 CD2 PHE A 98 28.948 14.296 -37.935 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.348 16.905 -38.603 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.499 15.338 -37.212 1.00 2.32 C ATOM 453 CZ PHE A 98 29.199 16.644 -37.547 1.00 14.52 C ATOM 0 H PHE A 98 28.716 11.277 -40.089 1.00 64.32 H new ATOM 0 HA PHE A 98 27.595 13.164 -41.914 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.468 13.663 -40.039 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.459 12.525 -39.148 1.00 4.32 H new ATOM 0 HD1 PHE A 98 27.135 16.070 -40.147 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.186 13.277 -37.669 1.00 24.22 H new ATOM 0 HE1 PHE A 98 28.111 17.925 -38.867 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.163 15.131 -36.386 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.629 17.459 -36.984 1.00 14.52 H new ATOM 463 N PHE A 99 30.601 13.687 -40.794 1.00 61.53 N ATOM 464 CA PHE A 99 31.776 14.541 -40.910 1.00 61.41 C ATOM 465 C PHE A 99 32.356 14.480 -42.320 1.00 60.30 C ATOM 466 O PHE A 99 32.822 15.487 -42.854 1.00 64.11 O ATOM 467 CB PHE A 99 32.839 14.123 -39.891 1.00 43.00 C ATOM 468 CG PHE A 99 34.096 14.943 -39.965 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.338 14.330 -39.981 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.035 16.326 -40.018 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.497 15.081 -40.049 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.189 17.082 -40.087 1.00 44.24 C ATOM 473 CZ PHE A 99 36.422 16.459 -40.102 1.00 54.34 C ATOM 0 H PHE A 99 30.775 12.789 -40.343 1.00 61.53 H new ATOM 0 HA PHE A 99 31.470 15.567 -40.706 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.421 14.204 -38.888 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.089 13.074 -40.049 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.402 13.253 -39.940 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.074 16.819 -40.005 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.459 14.591 -40.061 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.127 18.159 -40.129 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.325 17.048 -40.155 1.00 54.34 H new ATOM 483 N GLN A 100 32.326 13.293 -42.916 1.00 31.14 N ATOM 484 CA GLN A 100 32.849 13.100 -44.262 1.00 2.22 C ATOM 485 C GLN A 100 31.825 13.523 -45.310 1.00 64.05 C ATOM 486 O GLN A 100 32.180 14.075 -46.351 1.00 14.00 O ATOM 487 CB GLN A 100 33.239 11.636 -44.476 1.00 53.03 C ATOM 488 CG GLN A 100 32.047 10.697 -44.575 1.00 64.35 C ATOM 489 CD GLN A 100 32.453 9.237 -44.572 1.00 33.11 C ATOM 490 OE1 GLN A 100 32.189 8.504 -45.526 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.101 8.804 -43.496 1.00 14.41 N ATOM 0 H GLN A 100 31.945 12.450 -42.487 1.00 31.14 H new ATOM 0 HA GLN A 100 33.735 13.725 -44.373 1.00 2.22 H new ATOM 0 HB2 GLN A 100 33.831 11.556 -45.388 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.877 11.314 -43.653 1.00 53.03 H new ATOM 0 HG2 GLN A 100 31.372 10.884 -43.740 1.00 64.35 H new ATOM 0 HG3 GLN A 100 31.493 10.914 -45.488 1.00 64.35 H new ATOM 0 HE21 GLN A 100 33.299 9.445 -42.728 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.400 7.831 -43.438 1.00 14.41 H new ATOM 500 N GLU A 101 30.553 13.261 -45.027 1.00 35.51 N ATOM 501 CA GLU A 101 29.477 13.615 -45.947 1.00 4.42 C ATOM 502 C GLU A 101 29.223 15.119 -45.934 1.00 73.11 C ATOM 503 O GLU A 101 28.974 15.728 -46.975 1.00 13.41 O ATOM 504 CB GLU A 101 28.194 12.867 -45.579 1.00 74.32 C ATOM 505 CG GLU A 101 28.251 11.378 -45.878 1.00 62.12 C ATOM 506 CD GLU A 101 27.103 10.612 -45.249 1.00 61.35 C ATOM 507 OE1 GLU A 101 26.668 11.000 -44.145 1.00 22.34 O ATOM 508 OE2 GLU A 101 26.642 9.626 -45.860 1.00 61.22 O1- ATOM 0 H GLU A 101 30.242 12.805 -44.169 1.00 35.51 H new ATOM 0 HA GLU A 101 29.783 13.324 -46.952 1.00 4.42 H new ATOM 0 HB2 GLU A 101 27.993 13.008 -44.517 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.358 13.307 -46.123 1.00 74.32 H new ATOM 0 HG2 GLU A 101 28.235 11.227 -46.957 1.00 62.12 H new ATOM 0 HG3 GLU A 101 29.195 10.974 -45.513 1.00 62.12 H new ATOM 515 N HIS A 102 29.288 15.715 -44.747 1.00 15.43 N ATOM 516 CA HIS A 102 29.065 17.148 -44.597 1.00 21.40 C ATOM 517 C HIS A 102 30.159 17.782 -43.744 1.00 72.54 C ATOM 518 O HIS A 102 29.922 18.240 -42.626 1.00 40.35 O ATOM 519 CB HIS A 102 27.696 17.409 -43.968 1.00 2.24 C ATOM 520 CG HIS A 102 26.554 17.219 -44.918 1.00 13.40 C ATOM 521 ND1 HIS A 102 26.394 17.972 -46.062 1.00 73.30 N ATOM 522 CD2 HIS A 102 25.514 16.354 -44.890 1.00 34.24 C ATOM 523 CE1 HIS A 102 25.303 17.579 -46.695 1.00 44.23 C ATOM 524 NE2 HIS A 102 24.751 16.597 -46.005 1.00 62.12 N ATOM 0 H HIS A 102 29.493 15.227 -43.875 1.00 15.43 H new ATOM 0 HA HIS A 102 29.094 17.601 -45.588 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.564 16.742 -43.116 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.671 18.428 -43.582 1.00 2.24 H new ATOM 0 HD2 HIS A 102 25.320 15.610 -44.131 1.00 34.24 H new ATOM 0 HE1 HIS A 102 24.926 17.991 -47.620 1.00 44.23 H new ATOM 0 HE2 HIS A 102 23.897 16.100 -46.259 1.00 62.12 H new ATOM 533 N PRO A 103 31.389 17.809 -44.281 1.00 40.25 N ATOM 534 CA PRO A 103 32.544 18.384 -43.587 1.00 34.11 C ATOM 535 C PRO A 103 32.455 19.901 -43.471 1.00 22.13 C ATOM 536 O PRO A 103 32.980 20.628 -44.314 1.00 74.22 O ATOM 537 CB PRO A 103 33.727 17.983 -44.472 1.00 54.42 C ATOM 538 CG PRO A 103 33.138 17.799 -45.829 1.00 30.51 C ATOM 539 CD PRO A 103 31.745 17.280 -45.609 1.00 20.03 C ATOM 0 HA PRO A 103 32.622 18.025 -42.561 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.498 18.754 -44.476 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.195 17.065 -44.116 1.00 54.42 H new ATOM 0 HG2 PRO A 103 33.121 18.740 -46.378 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.728 17.097 -46.418 1.00 30.51 H new ATOM 0 HD2 PRO A 103 31.059 17.632 -46.379 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.714 16.191 -45.629 1.00 20.03 H new ATOM 547 N GLN A 104 31.787 20.372 -42.423 1.00 53.52 N ATOM 548 CA GLN A 104 31.631 21.805 -42.198 1.00 32.12 C ATOM 549 C GLN A 104 32.964 22.448 -41.832 1.00 3.31 C ATOM 550 O GLN A 104 33.251 23.577 -42.231 1.00 4.35 O ATOM 551 CB GLN A 104 30.607 22.060 -41.091 1.00 52.22 C ATOM 552 CG GLN A 104 29.356 21.204 -41.211 1.00 72.42 C ATOM 553 CD GLN A 104 28.080 22.013 -41.082 1.00 53.42 C ATOM 554 OE1 GLN A 104 27.921 23.049 -41.727 1.00 50.22 O ATOM 555 NE2 GLN A 104 27.163 21.543 -40.243 1.00 43.34 N ATOM 0 H GLN A 104 31.345 19.783 -41.717 1.00 53.52 H new ATOM 0 HA GLN A 104 31.274 22.255 -43.124 1.00 32.12 H new ATOM 0 HB2 GLN A 104 31.075 21.872 -40.125 1.00 52.22 H new ATOM 0 HB3 GLN A 104 30.321 23.112 -41.107 1.00 52.22 H new ATOM 0 HG2 GLN A 104 29.361 20.692 -42.173 1.00 72.42 H new ATOM 0 HG3 GLN A 104 29.372 20.433 -40.440 1.00 72.42 H new ATOM 0 HE21 GLN A 104 27.337 20.680 -39.729 1.00 43.34 H new ATOM 0 HE22 GLN A 104 26.285 22.046 -40.113 1.00 43.34 H new ATOM 564 N TYR A 105 33.775 21.723 -41.069 1.00 14.32 N ATOM 565 CA TYR A 105 35.078 22.223 -40.646 1.00 65.43 C ATOM 566 C TYR A 105 35.961 22.530 -41.852 1.00 72.42 C ATOM 567 O TYR A 105 36.771 23.457 -41.821 1.00 15.51 O ATOM 568 CB TYR A 105 35.769 21.205 -39.739 1.00 13.44 C ATOM 569 CG TYR A 105 37.035 21.726 -39.098 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.190 20.955 -39.067 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.077 22.991 -38.524 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.349 21.426 -38.482 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.232 23.472 -37.937 1.00 62.22 C ATOM 574 CZ TYR A 105 39.365 22.686 -37.919 1.00 63.32 C ATOM 575 OH TYR A 105 40.518 23.160 -37.336 1.00 2.35 O ATOM 0 H TYR A 105 33.553 20.787 -40.731 1.00 14.32 H new ATOM 0 HA TYR A 105 34.921 23.147 -40.089 1.00 65.43 H new ATOM 0 HB2 TYR A 105 35.075 20.898 -38.956 1.00 13.44 H new ATOM 0 HB3 TYR A 105 36.006 20.315 -40.321 1.00 13.44 H new ATOM 0 HD1 TYR A 105 38.182 19.969 -39.508 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.191 23.609 -38.537 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.237 20.812 -38.465 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.247 24.457 -37.495 1.00 62.22 H new ATOM 0 HH TYR A 105 40.361 24.063 -36.988 1.00 2.35 H new ATOM 585 N MET A 106 35.799 21.745 -42.911 1.00 2.13 N ATOM 586 CA MET A 106 36.580 21.933 -44.128 1.00 12.33 C ATOM 587 C MET A 106 36.088 23.149 -44.907 1.00 34.43 C ATOM 588 O MET A 106 36.832 23.735 -45.693 1.00 14.31 O ATOM 589 CB MET A 106 36.501 20.684 -45.008 1.00 2.20 C ATOM 590 CG MET A 106 37.243 19.489 -44.433 1.00 33.23 C ATOM 591 SD MET A 106 37.215 18.059 -45.532 1.00 45.54 S ATOM 592 CE MET A 106 38.945 17.596 -45.530 1.00 62.30 C ATOM 0 H MET A 106 35.134 20.973 -42.952 1.00 2.13 H new ATOM 0 HA MET A 106 37.618 22.102 -43.841 1.00 12.33 H new ATOM 0 HB2 MET A 106 35.454 20.417 -45.152 1.00 2.20 H new ATOM 0 HB3 MET A 106 36.909 20.916 -45.992 1.00 2.20 H new ATOM 0 HG2 MET A 106 38.277 19.770 -44.235 1.00 33.23 H new ATOM 0 HG3 MET A 106 36.798 19.216 -43.476 1.00 33.23 H new ATOM 0 HE1 MET A 106 39.089 16.724 -46.167 1.00 62.30 H new ATOM 0 HE2 MET A 106 39.544 18.425 -45.908 1.00 62.30 H new ATOM 0 HE3 MET A 106 39.257 17.358 -44.513 1.00 62.30 H new ATOM 602 N ARG A 107 34.832 23.522 -44.684 1.00 64.32 N ATOM 603 CA ARG A 107 34.242 24.667 -45.365 1.00 35.05 C ATOM 604 C ARG A 107 34.520 25.958 -44.601 1.00 22.20 C ATOM 605 O ARG A 107 34.917 26.966 -45.187 1.00 15.10 O ATOM 606 CB ARG A 107 32.733 24.472 -45.525 1.00 40.51 C ATOM 607 CG ARG A 107 32.064 25.550 -46.359 1.00 44.25 C ATOM 608 CD ARG A 107 30.748 25.064 -46.947 1.00 14.22 C ATOM 609 NE ARG A 107 29.860 26.171 -47.290 1.00 62.33 N ATOM 610 CZ ARG A 107 29.248 26.928 -46.387 1.00 43.41 C ATOM 611 NH1 ARG A 107 29.429 26.701 -45.094 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 28.454 27.917 -46.777 1.00 71.14 N ATOM 0 H ARG A 107 34.203 23.047 -44.036 1.00 64.32 H new ATOM 0 HA ARG A 107 34.698 24.744 -46.352 1.00 35.05 H new ATOM 0 HB2 ARG A 107 32.548 23.501 -45.985 1.00 40.51 H new ATOM 0 HB3 ARG A 107 32.272 24.450 -44.538 1.00 40.51 H new ATOM 0 HG2 ARG A 107 31.885 26.430 -45.742 1.00 44.25 H new ATOM 0 HG3 ARG A 107 32.732 25.856 -47.164 1.00 44.25 H new ATOM 0 HD2 ARG A 107 30.947 24.469 -47.839 1.00 14.22 H new ATOM 0 HD3 ARG A 107 30.251 24.409 -46.231 1.00 14.22 H new ATOM 0 HE ARG A 107 29.701 26.374 -48.277 1.00 62.33 H new ATOM 0 HH11 ARG A 107 30.040 25.943 -44.790 1.00 11.24 H new ATOM 0 HH12 ARG A 107 28.957 27.284 -44.403 1.00 11.24 H new ATOM 0 HH21 ARG A 107 28.313 28.096 -47.771 1.00 71.14 H new ATOM 0 HH22 ARG A 107 27.984 28.498 -46.083 1.00 71.14 H new ATOM 626 N SER A 108 34.310 25.920 -43.289 1.00 32.45 N ATOM 627 CA SER A 108 34.533 27.087 -42.445 1.00 62.54 C ATOM 628 C SER A 108 34.806 26.671 -41.003 1.00 72.04 C ATOM 629 O SER A 108 33.956 26.068 -40.347 1.00 3.11 O ATOM 630 CB SER A 108 33.323 28.021 -42.499 1.00 72.53 C ATOM 631 OG SER A 108 32.155 27.321 -42.893 1.00 0.01 O ATOM 0 H SER A 108 33.986 25.093 -42.788 1.00 32.45 H new ATOM 0 HA SER A 108 35.408 27.616 -42.823 1.00 62.54 H new ATOM 0 HB2 SER A 108 33.166 28.475 -41.520 1.00 72.53 H new ATOM 0 HB3 SER A 108 33.518 28.833 -43.199 1.00 72.53 H new ATOM 0 HG SER A 108 31.396 27.940 -42.918 1.00 0.01 H new ATOM 637 N LYS A 109 35.998 26.997 -40.515 1.00 71.21 N ATOM 638 CA LYS A 109 36.385 26.659 -39.150 1.00 31.02 C ATOM 639 C LYS A 109 35.378 27.213 -38.146 1.00 3.25 C ATOM 640 O LYS A 109 35.086 26.579 -37.133 1.00 50.22 O ATOM 641 CB LYS A 109 37.781 27.206 -38.843 1.00 21.34 C ATOM 642 CG LYS A 109 37.898 28.710 -39.021 1.00 52.33 C ATOM 643 CD LYS A 109 39.292 29.112 -39.472 1.00 1.02 C ATOM 644 CE LYS A 109 39.534 28.747 -40.928 1.00 51.12 C ATOM 645 NZ LYS A 109 40.847 29.253 -41.416 1.00 73.22 N1+ ATOM 0 H LYS A 109 36.713 27.495 -41.045 1.00 71.21 H new ATOM 0 HA LYS A 109 36.400 25.573 -39.062 1.00 31.02 H new ATOM 0 HB2 LYS A 109 38.046 26.948 -37.817 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.506 26.714 -39.492 1.00 21.34 H new ATOM 0 HG2 LYS A 109 37.166 29.048 -39.754 1.00 52.33 H new ATOM 0 HG3 LYS A 109 37.661 29.208 -38.081 1.00 52.33 H new ATOM 0 HD2 LYS A 109 39.423 30.186 -39.338 1.00 1.02 H new ATOM 0 HD3 LYS A 109 40.035 28.620 -38.844 1.00 1.02 H new ATOM 0 HE2 LYS A 109 39.497 27.664 -41.042 1.00 51.12 H new ATOM 0 HE3 LYS A 109 38.734 29.159 -41.543 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 40.974 28.984 -42.412 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 40.873 30.289 -41.331 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 41.612 28.840 -40.845 1.00 73.22 H new ATOM 659 N GLU A 110 34.853 28.400 -38.436 1.00 44.12 N ATOM 660 CA GLU A 110 33.879 29.038 -37.557 1.00 65.03 C ATOM 661 C GLU A 110 32.601 28.208 -37.468 1.00 4.22 C ATOM 662 O GLU A 110 32.027 28.047 -36.391 1.00 42.42 O ATOM 663 CB GLU A 110 33.552 30.446 -38.060 1.00 51.22 C ATOM 664 CG GLU A 110 33.045 30.478 -39.492 1.00 52.11 C ATOM 665 CD GLU A 110 33.215 31.839 -40.140 1.00 73.11 C ATOM 666 OE1 GLU A 110 34.261 32.063 -40.782 1.00 50.24 O ATOM 667 OE2 GLU A 110 32.300 32.679 -40.005 1.00 64.00 O1- ATOM 0 H GLU A 110 35.085 28.938 -39.271 1.00 44.12 H new ATOM 0 HA GLU A 110 34.316 29.108 -36.561 1.00 65.03 H new ATOM 0 HB2 GLU A 110 32.801 30.890 -37.407 1.00 51.22 H new ATOM 0 HB3 GLU A 110 34.445 31.066 -37.986 1.00 51.22 H new ATOM 0 HG2 GLU A 110 33.579 29.731 -40.079 1.00 52.11 H new ATOM 0 HG3 GLU A 110 31.991 30.202 -39.507 1.00 52.11 H new ATOM 674 N ASP A 111 32.162 27.684 -38.607 1.00 31.12 N ATOM 675 CA ASP A 111 30.953 26.870 -38.658 1.00 2.31 C ATOM 676 C ASP A 111 31.070 25.664 -37.731 1.00 54.23 C ATOM 677 O ASP A 111 30.261 25.488 -36.821 1.00 72.33 O ATOM 678 CB ASP A 111 30.686 26.405 -40.090 1.00 61.15 C ATOM 679 CG ASP A 111 29.240 26.005 -40.310 1.00 72.04 C ATOM 680 OD1 ASP A 111 28.510 26.768 -40.976 1.00 62.34 O ATOM 681 OD2 ASP A 111 28.839 24.931 -39.813 1.00 75.41 O1- ATOM 0 H ASP A 111 32.625 27.808 -39.507 1.00 31.12 H new ATOM 0 HA ASP A 111 30.117 27.483 -38.322 1.00 2.31 H new ATOM 0 HB2 ASP A 111 30.948 27.204 -40.783 1.00 61.15 H new ATOM 0 HB3 ASP A 111 31.333 25.559 -40.320 1.00 61.15 H new ATOM 686 N GLU A 112 32.083 24.837 -37.971 1.00 32.13 N ATOM 687 CA GLU A 112 32.303 23.646 -37.158 1.00 62.34 C ATOM 688 C GLU A 112 32.334 23.998 -35.674 1.00 34.15 C ATOM 689 O GLU A 112 31.696 23.336 -34.855 1.00 35.11 O ATOM 690 CB GLU A 112 33.613 22.964 -37.559 1.00 32.10 C ATOM 691 CG GLU A 112 33.933 21.727 -36.736 1.00 0.21 C ATOM 692 CD GLU A 112 33.072 20.537 -37.113 1.00 23.14 C ATOM 693 OE1 GLU A 112 33.476 19.394 -36.813 1.00 62.45 O ATOM 694 OE2 GLU A 112 31.995 20.750 -37.708 1.00 14.24 O1- ATOM 0 H GLU A 112 32.763 24.969 -38.720 1.00 32.13 H new ATOM 0 HA GLU A 112 31.475 22.959 -37.333 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.560 22.686 -38.612 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.430 23.678 -37.458 1.00 32.10 H new ATOM 0 HG2 GLU A 112 34.983 21.468 -36.870 1.00 0.21 H new ATOM 0 HG3 GLU A 112 33.792 21.952 -35.679 1.00 0.21 H new ATOM 701 N GLU A 113 33.081 25.045 -35.335 1.00 34.35 N ATOM 702 CA GLU A 113 33.195 25.484 -33.949 1.00 1.04 C ATOM 703 C GLU A 113 31.817 25.714 -33.335 1.00 62.52 C ATOM 704 O GLU A 113 31.458 25.088 -32.339 1.00 62.44 O ATOM 705 CB GLU A 113 34.024 26.767 -33.865 1.00 30.23 C ATOM 706 CG GLU A 113 34.384 27.167 -32.444 1.00 33.05 C ATOM 707 CD GLU A 113 35.717 27.885 -32.360 1.00 2.32 C ATOM 708 OE1 GLU A 113 36.645 27.504 -33.104 1.00 5.24 O ATOM 709 OE2 GLU A 113 35.832 28.829 -31.550 1.00 53.21 O1- ATOM 0 H GLU A 113 33.615 25.604 -36.000 1.00 34.35 H new ATOM 0 HA GLU A 113 33.697 24.697 -33.386 1.00 1.04 H new ATOM 0 HB2 GLU A 113 34.941 26.636 -34.440 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.468 27.580 -34.333 1.00 30.23 H new ATOM 0 HG2 GLU A 113 33.602 27.812 -32.043 1.00 33.05 H new ATOM 0 HG3 GLU A 113 34.415 26.276 -31.817 1.00 33.05 H new ATOM 716 N GLN A 114 31.051 26.617 -33.939 1.00 21.15 N ATOM 717 CA GLN A 114 29.713 26.930 -33.451 1.00 15.15 C ATOM 718 C GLN A 114 28.887 25.661 -33.274 1.00 12.24 C ATOM 719 O GLN A 114 28.188 25.497 -32.273 1.00 54.31 O ATOM 720 CB GLN A 114 29.006 27.884 -34.416 1.00 72.44 C ATOM 721 CG GLN A 114 29.600 29.283 -34.433 1.00 22.33 C ATOM 722 CD GLN A 114 28.594 30.339 -34.845 1.00 62.33 C ATOM 723 OE1 GLN A 114 27.964 30.976 -34.001 1.00 32.25 O ATOM 724 NE2 GLN A 114 28.437 30.531 -36.150 1.00 40.41 N ATOM 0 H GLN A 114 31.333 27.144 -34.766 1.00 21.15 H new ATOM 0 HA GLN A 114 29.812 27.415 -32.480 1.00 15.15 H new ATOM 0 HB2 GLN A 114 29.050 27.468 -35.422 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.953 27.949 -34.143 1.00 72.44 H new ATOM 0 HG2 GLN A 114 29.986 29.522 -33.442 1.00 22.33 H new ATOM 0 HG3 GLN A 114 30.447 29.306 -35.119 1.00 22.33 H new ATOM 0 HE21 GLN A 114 28.980 29.981 -36.815 1.00 40.41 H new ATOM 0 HE22 GLN A 114 27.774 31.229 -36.487 1.00 40.41 H new ATOM 733 N LEU A 115 28.969 24.766 -34.252 1.00 24.11 N ATOM 734 CA LEU A 115 28.229 23.510 -34.206 1.00 72.35 C ATOM 735 C LEU A 115 28.700 22.643 -33.042 1.00 40.11 C ATOM 736 O LEU A 115 27.899 21.978 -32.388 1.00 41.13 O ATOM 737 CB LEU A 115 28.391 22.750 -35.522 1.00 4.21 C ATOM 738 CG LEU A 115 27.167 21.972 -36.004 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.505 21.158 -37.244 1.00 43.40 C ATOM 740 CD2 LEU A 115 26.641 21.069 -34.898 1.00 4.03 C ATOM 0 H LEU A 115 29.541 24.887 -35.088 1.00 24.11 H new ATOM 0 HA LEU A 115 27.175 23.744 -34.058 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.672 23.463 -36.297 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.221 22.052 -35.415 1.00 4.21 H new ATOM 0 HG LEU A 115 26.386 22.686 -36.266 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.621 20.611 -37.572 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.834 21.827 -38.039 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.302 20.452 -37.010 1.00 43.40 H new ATOM 0 HD21 LEU A 115 25.769 20.522 -35.258 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.417 20.362 -34.605 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.359 21.675 -34.037 1.00 4.03 H new ATOM 752 N MET A 116 30.004 22.658 -32.791 1.00 70.42 N ATOM 753 CA MET A 116 30.582 21.876 -31.703 1.00 64.52 C ATOM 754 C MET A 116 30.050 22.346 -30.353 1.00 75.03 C ATOM 755 O MET A 116 29.435 21.575 -29.614 1.00 41.14 O ATOM 756 CB MET A 116 32.108 21.978 -31.728 1.00 43.44 C ATOM 757 CG MET A 116 32.801 20.934 -30.868 1.00 45.44 C ATOM 758 SD MET A 116 34.444 21.451 -30.336 1.00 64.42 S ATOM 759 CE MET A 116 34.031 22.742 -29.165 1.00 64.32 C ATOM 0 H MET A 116 30.681 23.202 -33.325 1.00 70.42 H new ATOM 0 HA MET A 116 30.293 20.835 -31.844 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.454 21.877 -32.757 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.403 22.971 -31.388 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.188 20.727 -29.991 1.00 45.44 H new ATOM 0 HG3 MET A 116 32.881 20.003 -31.428 1.00 45.44 H new ATOM 0 HE1 MET A 116 34.864 22.890 -28.478 1.00 64.32 H new ATOM 0 HE2 MET A 116 33.834 23.670 -29.701 1.00 64.32 H new ATOM 0 HE3 MET A 116 33.143 22.453 -28.603 1.00 64.32 H new ATOM 769 N THR A 117 30.290 23.614 -30.037 1.00 23.24 N ATOM 770 CA THR A 117 29.835 24.186 -28.776 1.00 45.12 C ATOM 771 C THR A 117 28.343 23.953 -28.572 1.00 55.01 C ATOM 772 O THR A 117 27.912 23.535 -27.497 1.00 75.24 O ATOM 773 CB THR A 117 30.123 25.698 -28.708 1.00 45.34 C ATOM 774 OG1 THR A 117 29.514 26.261 -27.541 1.00 40.01 O ATOM 775 CG2 THR A 117 29.599 26.404 -29.950 1.00 22.51 C ATOM 0 H THR A 117 30.797 24.265 -30.637 1.00 23.24 H new ATOM 0 HA THR A 117 30.389 23.683 -27.983 1.00 45.12 H new ATOM 0 HB THR A 117 31.203 25.838 -28.657 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.703 27.222 -27.505 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.813 27.470 -29.880 1.00 22.51 H new ATOM 0 HG22 THR A 117 30.086 25.993 -30.835 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.522 26.255 -30.026 1.00 22.51 H new ATOM 783 N GLU A 118 27.559 24.228 -29.610 1.00 13.24 N ATOM 784 CA GLU A 118 26.113 24.049 -29.542 1.00 64.41 C ATOM 785 C GLU A 118 25.755 22.574 -29.391 1.00 71.35 C ATOM 786 O GLU A 118 24.858 22.216 -28.627 1.00 2.31 O ATOM 787 CB GLU A 118 25.448 24.621 -30.796 1.00 42.20 C ATOM 788 CG GLU A 118 24.153 25.366 -30.511 1.00 62.40 C ATOM 789 CD GLU A 118 22.930 24.481 -30.651 1.00 32.23 C ATOM 790 OE1 GLU A 118 22.947 23.574 -31.507 1.00 73.11 O ATOM 791 OE2 GLU A 118 21.953 24.699 -29.903 1.00 51.30 O1- ATOM 0 H GLU A 118 27.900 24.575 -30.506 1.00 13.24 H new ATOM 0 HA GLU A 118 25.746 24.586 -28.667 1.00 64.41 H new ATOM 0 HB2 GLU A 118 26.145 25.297 -31.291 1.00 42.20 H new ATOM 0 HB3 GLU A 118 25.244 23.808 -31.492 1.00 42.20 H new ATOM 0 HG2 GLU A 118 24.188 25.775 -29.501 1.00 62.40 H new ATOM 0 HG3 GLU A 118 24.066 26.211 -31.194 1.00 62.40 H new ATOM 798 N PHE A 119 26.461 21.720 -30.124 1.00 72.35 N ATOM 799 CA PHE A 119 26.218 20.284 -30.073 1.00 31.24 C ATOM 800 C PHE A 119 26.487 19.736 -28.675 1.00 51.21 C ATOM 801 O PHE A 119 25.940 18.704 -28.284 1.00 74.52 O ATOM 802 CB PHE A 119 27.097 19.559 -31.096 1.00 12.54 C ATOM 803 CG PHE A 119 27.333 18.114 -30.766 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.481 17.721 -30.096 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.407 17.147 -31.126 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.700 16.391 -29.790 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.622 15.816 -30.822 1.00 3.12 C ATOM 808 CZ PHE A 119 27.771 15.438 -30.155 1.00 63.33 C ATOM 0 H PHE A 119 27.207 21.998 -30.761 1.00 72.35 H new ATOM 0 HA PHE A 119 25.170 20.110 -30.317 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.629 19.627 -32.078 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.058 20.069 -31.164 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.213 18.462 -29.810 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.508 17.437 -31.650 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.597 16.098 -29.266 1.00 34.02 H new ATOM 0 HE2 PHE A 119 25.892 15.072 -31.106 1.00 3.12 H new ATOM 0 HZ PHE A 119 27.942 14.398 -29.919 1.00 63.33 H new ATOM 818 N LYS A 120 27.335 20.433 -27.926 1.00 14.44 N ATOM 819 CA LYS A 120 27.678 20.019 -26.572 1.00 23.11 C ATOM 820 C LYS A 120 26.644 20.522 -25.569 1.00 34.44 C ATOM 821 O LYS A 120 26.329 19.844 -24.592 1.00 62.52 O ATOM 822 CB LYS A 120 29.066 20.539 -26.193 1.00 32.24 C ATOM 823 CG LYS A 120 30.162 19.494 -26.313 1.00 15.35 C ATOM 824 CD LYS A 120 31.526 20.135 -26.505 1.00 0.00 C ATOM 825 CE LYS A 120 31.895 21.023 -25.326 1.00 12.11 C ATOM 826 NZ LYS A 120 31.925 20.262 -24.047 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.797 21.288 -28.235 1.00 14.44 H new ATOM 0 HA LYS A 120 27.685 18.929 -26.544 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.313 21.387 -26.831 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.039 20.908 -25.168 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.174 18.873 -25.417 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.947 18.835 -27.154 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.281 19.358 -26.627 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.526 20.726 -27.421 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.871 21.475 -25.503 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.176 21.839 -25.247 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 32.387 20.835 -23.313 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 30.953 20.040 -23.752 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 32.456 19.378 -24.181 1.00 75.10 H new ATOM 840 N LYS A 121 26.116 21.716 -25.820 1.00 31.11 N ATOM 841 CA LYS A 121 25.115 22.310 -24.944 1.00 75.21 C ATOM 842 C LYS A 121 23.747 21.677 -25.171 1.00 2.10 C ATOM 843 O LYS A 121 22.936 21.576 -24.250 1.00 52.44 O ATOM 844 CB LYS A 121 25.035 23.821 -25.176 1.00 1.02 C ATOM 845 CG LYS A 121 23.835 24.246 -26.004 1.00 1.41 C ATOM 846 CD LYS A 121 24.016 25.643 -26.573 1.00 43.52 C ATOM 847 CE LYS A 121 24.654 26.579 -25.557 1.00 20.23 C ATOM 848 NZ LYS A 121 26.135 26.626 -25.699 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.366 22.291 -26.624 1.00 31.11 H new ATOM 0 HA LYS A 121 25.415 22.122 -23.913 1.00 75.21 H new ATOM 0 HB2 LYS A 121 24.998 24.327 -24.211 1.00 1.02 H new ATOM 0 HB3 LYS A 121 25.946 24.152 -25.675 1.00 1.02 H new ATOM 0 HG2 LYS A 121 23.684 23.537 -26.818 1.00 1.41 H new ATOM 0 HG3 LYS A 121 22.937 24.217 -25.386 1.00 1.41 H new ATOM 0 HD2 LYS A 121 24.638 25.595 -27.467 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.048 26.041 -26.879 1.00 43.52 H new ATOM 0 HE2 LYS A 121 24.245 27.582 -25.681 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.396 26.252 -24.550 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 26.579 26.279 -24.825 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 26.426 26.026 -26.497 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 26.436 27.606 -25.875 1.00 31.14 H new ATOM 862 N VAL A 122 23.496 21.249 -26.405 1.00 23.10 N ATOM 863 CA VAL A 122 22.226 20.623 -26.754 1.00 13.41 C ATOM 864 C VAL A 122 22.148 19.200 -26.213 1.00 52.23 C ATOM 865 O VAL A 122 21.078 18.592 -26.187 1.00 71.34 O ATOM 866 CB VAL A 122 22.015 20.593 -28.279 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.063 22.000 -28.854 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.056 19.702 -28.942 1.00 1.45 C ATOM 0 H VAL A 122 24.156 21.325 -27.179 1.00 23.10 H new ATOM 0 HA VAL A 122 21.440 21.226 -26.298 1.00 13.41 H new ATOM 0 HB VAL A 122 21.028 20.177 -28.484 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.912 21.958 -29.933 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.278 22.605 -28.401 1.00 0.12 H new ATOM 0 HG13 VAL A 122 23.034 22.447 -28.641 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.893 19.692 -30.020 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.053 20.087 -28.730 1.00 1.45 H new ATOM 0 HG23 VAL A 122 22.968 18.688 -28.552 1.00 1.45 H new ATOM 878 N LEU A 123 23.289 18.675 -25.780 1.00 4.14 N ATOM 879 CA LEU A 123 23.351 17.322 -25.237 1.00 53.40 C ATOM 880 C LEU A 123 22.986 17.312 -23.756 1.00 25.13 C ATOM 881 O LEU A 123 22.368 16.367 -23.264 1.00 61.25 O ATOM 882 CB LEU A 123 24.750 16.737 -25.433 1.00 74.02 C ATOM 883 CG LEU A 123 24.995 16.010 -26.757 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.091 16.567 -27.845 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.456 16.123 -27.165 1.00 1.21 C ATOM 0 H LEU A 123 24.183 19.165 -25.794 1.00 4.14 H new ATOM 0 HA LEU A 123 22.628 16.708 -25.774 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.476 17.546 -25.346 1.00 74.02 H new ATOM 0 HB3 LEU A 123 24.949 16.042 -24.618 1.00 74.02 H new ATOM 0 HG LEU A 123 24.758 14.955 -26.620 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.279 16.039 -28.780 1.00 42.44 H new ATOM 0 HD12 LEU A 123 23.049 16.434 -27.556 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.297 17.629 -27.981 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.612 15.600 -28.109 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.720 17.174 -27.284 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.084 15.676 -26.395 1.00 1.21 H new ATOM 897 N LEU A 124 23.371 18.370 -23.051 1.00 54.13 N ATOM 898 CA LEU A 124 23.082 18.485 -21.625 1.00 75.34 C ATOM 899 C LEU A 124 21.771 19.227 -21.392 1.00 14.20 C ATOM 900 O LEU A 124 21.075 18.985 -20.407 1.00 71.21 O ATOM 901 CB LEU A 124 24.224 19.208 -20.910 1.00 22.35 C ATOM 902 CG LEU A 124 25.388 18.331 -20.445 1.00 2.11 C ATOM 903 CD1 LEU A 124 26.337 18.047 -21.600 1.00 33.13 C ATOM 904 CD2 LEU A 124 26.129 18.995 -19.295 1.00 45.33 C ATOM 0 H LEU A 124 23.884 19.160 -23.443 1.00 54.13 H new ATOM 0 HA LEU A 124 22.985 17.479 -21.218 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.617 19.974 -21.578 1.00 22.35 H new ATOM 0 HB3 LEU A 124 23.814 19.723 -20.041 1.00 22.35 H new ATOM 0 HG LEU A 124 24.985 17.382 -20.091 1.00 2.11 H new ATOM 0 HD11 LEU A 124 27.159 17.422 -21.250 1.00 33.13 H new ATOM 0 HD12 LEU A 124 25.799 17.529 -22.394 1.00 33.13 H new ATOM 0 HD13 LEU A 124 26.734 18.987 -21.984 1.00 33.13 H new ATOM 0 HD21 LEU A 124 26.954 18.357 -18.977 1.00 45.33 H new ATOM 0 HD22 LEU A 124 26.521 19.958 -19.622 1.00 45.33 H new ATOM 0 HD23 LEU A 124 25.445 19.146 -18.460 1.00 45.33 H new ATOM 916 N GLU A 125 21.438 20.132 -22.308 1.00 14.41 N ATOM 917 CA GLU A 125 20.209 20.908 -22.203 1.00 41.11 C ATOM 918 C GLU A 125 19.019 20.004 -21.898 1.00 63.43 C ATOM 919 O GLU A 125 18.344 20.146 -20.878 1.00 14.15 O ATOM 920 CB GLU A 125 19.956 21.683 -23.499 1.00 64.13 C ATOM 921 CG GLU A 125 18.483 21.903 -23.800 1.00 62.33 C ATOM 922 CD GLU A 125 18.256 22.945 -24.877 1.00 4.53 C ATOM 923 OE1 GLU A 125 19.192 23.725 -25.154 1.00 43.43 O ATOM 924 OE2 GLU A 125 17.144 22.981 -25.443 1.00 3.44 O1- ATOM 0 H GLU A 125 22.003 20.345 -23.130 1.00 14.41 H new ATOM 0 HA GLU A 125 20.326 21.615 -21.382 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.454 22.651 -23.437 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.411 21.143 -24.330 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.035 20.960 -24.113 1.00 62.33 H new ATOM 0 HG3 GLU A 125 17.972 22.212 -22.888 1.00 62.33 H new ATOM 931 N PRO A 126 18.752 19.051 -22.804 1.00 30.12 N ATOM 932 CA PRO A 126 17.643 18.105 -22.654 1.00 22.40 C ATOM 933 C PRO A 126 17.881 17.105 -21.528 1.00 25.33 C ATOM 934 O PRO A 126 19.024 16.819 -21.171 1.00 41.31 O ATOM 935 CB PRO A 126 17.603 17.388 -24.007 1.00 61.24 C ATOM 936 CG PRO A 126 18.990 17.504 -24.537 1.00 12.33 C ATOM 937 CD PRO A 126 19.513 18.824 -24.044 1.00 0.12 C ATOM 0 HA PRO A 126 16.711 18.608 -22.394 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.308 16.345 -23.894 1.00 61.24 H new ATOM 0 HB3 PRO A 126 16.882 17.852 -24.680 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.612 16.682 -24.184 1.00 12.33 H new ATOM 0 HG3 PRO A 126 18.996 17.464 -25.626 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.586 18.786 -23.856 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.345 19.619 -24.770 1.00 0.12 H new ATOM 945 N GLY A 127 16.796 16.576 -20.972 1.00 43.42 N ATOM 946 CA GLY A 127 16.910 15.612 -19.892 1.00 51.41 C ATOM 947 C GLY A 127 16.969 14.184 -20.393 1.00 23.25 C ATOM 948 O GLY A 127 17.349 13.274 -19.655 1.00 21.10 O ATOM 0 H GLY A 127 15.840 16.797 -21.250 1.00 43.42 H new ATOM 0 HA2 GLY A 127 17.807 15.827 -19.311 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.060 15.723 -19.219 1.00 51.41 H new ATOM 952 N SER A 128 16.592 13.984 -21.652 1.00 64.24 N ATOM 953 CA SER A 128 16.599 12.653 -22.250 1.00 14.15 C ATOM 954 C SER A 128 17.997 12.284 -22.737 1.00 43.42 C ATOM 955 O SER A 128 18.177 11.853 -23.877 1.00 75.43 O ATOM 956 CB SER A 128 15.608 12.588 -23.413 1.00 12.14 C ATOM 957 OG SER A 128 14.399 13.255 -23.091 1.00 41.51 O ATOM 0 H SER A 128 16.278 14.726 -22.278 1.00 64.24 H new ATOM 0 HA SER A 128 16.298 11.937 -21.486 1.00 14.15 H new ATOM 0 HB2 SER A 128 16.052 13.041 -24.299 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.398 11.547 -23.659 1.00 12.14 H new ATOM 0 HG SER A 128 13.783 13.201 -23.851 1.00 41.51 H new ATOM 963 N LYS A 129 18.985 12.456 -21.866 1.00 13.44 N ATOM 964 CA LYS A 129 20.368 12.140 -22.204 1.00 70.44 C ATOM 965 C LYS A 129 20.490 10.708 -22.713 1.00 11.20 C ATOM 966 O LYS A 129 21.463 10.357 -23.379 1.00 23.24 O ATOM 967 CB LYS A 129 21.271 12.339 -20.984 1.00 55.21 C ATOM 968 CG LYS A 129 20.774 11.627 -19.738 1.00 13.43 C ATOM 969 CD LYS A 129 21.298 10.203 -19.663 1.00 2.32 C ATOM 970 CE LYS A 129 20.232 9.244 -19.154 1.00 34.02 C ATOM 971 NZ LYS A 129 20.776 7.873 -18.941 1.00 60.14 N1+ ATOM 0 H LYS A 129 18.854 12.813 -20.920 1.00 13.44 H new ATOM 0 HA LYS A 129 20.686 12.817 -22.997 1.00 70.44 H new ATOM 0 HB2 LYS A 129 22.273 11.981 -21.222 1.00 55.21 H new ATOM 0 HB3 LYS A 129 21.355 13.405 -20.774 1.00 55.21 H new ATOM 0 HG2 LYS A 129 21.089 12.179 -18.852 1.00 13.43 H new ATOM 0 HG3 LYS A 129 19.684 11.615 -19.735 1.00 13.43 H new ATOM 0 HD2 LYS A 129 21.634 9.885 -20.650 1.00 2.32 H new ATOM 0 HD3 LYS A 129 22.166 10.167 -19.004 1.00 2.32 H new ATOM 0 HE2 LYS A 129 19.821 9.621 -18.218 1.00 34.02 H new ATOM 0 HE3 LYS A 129 19.410 9.202 -19.869 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 20.012 7.241 -18.627 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 21.176 7.516 -19.832 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 21.520 7.904 -18.215 1.00 60.14 H new ATOM 985 N ASN A 130 19.496 9.885 -22.396 1.00 50.25 N ATOM 986 CA ASN A 130 19.493 8.490 -22.822 1.00 20.54 C ATOM 987 C ASN A 130 18.883 8.348 -24.213 1.00 24.34 C ATOM 988 O ASN A 130 18.382 7.284 -24.578 1.00 52.01 O ATOM 989 CB ASN A 130 18.715 7.632 -21.822 1.00 13.43 C ATOM 990 CG ASN A 130 17.383 8.249 -21.443 1.00 62.11 C ATOM 991 OD1 ASN A 130 16.812 9.033 -22.201 1.00 43.45 O ATOM 992 ND2 ASN A 130 16.882 7.897 -20.264 1.00 30.42 N ATOM 0 H ASN A 130 18.682 10.160 -21.846 1.00 50.25 H new ATOM 0 HA ASN A 130 20.526 8.145 -22.860 1.00 20.54 H new ATOM 0 HB2 ASN A 130 18.546 6.644 -22.250 1.00 13.43 H new ATOM 0 HB3 ASN A 130 19.316 7.492 -20.923 1.00 13.43 H new ATOM 0 HD21 ASN A 130 15.989 8.280 -19.954 1.00 30.42 H new ATOM 0 HD22 ASN A 130 17.391 7.244 -19.668 1.00 30.42 H new ATOM 999 N LEU A 131 18.929 9.428 -24.986 1.00 22.31 N ATOM 1000 CA LEU A 131 18.382 9.424 -26.339 1.00 15.12 C ATOM 1001 C LEU A 131 19.422 8.941 -27.346 1.00 65.34 C ATOM 1002 O LEU A 131 20.620 8.943 -27.065 1.00 42.41 O ATOM 1003 CB LEU A 131 17.900 10.825 -26.719 1.00 11.43 C ATOM 1004 CG LEU A 131 18.949 11.935 -26.658 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.726 12.010 -27.963 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.294 13.274 -26.348 1.00 50.13 C ATOM 0 H LEU A 131 19.339 10.317 -24.699 1.00 22.31 H new ATOM 0 HA LEU A 131 17.536 8.737 -26.360 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.499 10.787 -27.732 1.00 11.43 H new ATOM 0 HB3 LEU A 131 17.075 11.095 -26.059 1.00 11.43 H new ATOM 0 HG LEU A 131 19.649 11.701 -25.856 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.468 12.806 -27.900 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.228 11.059 -28.142 1.00 2.43 H new ATOM 0 HD13 LEU A 131 19.040 12.218 -28.784 1.00 2.43 H new ATOM 0 HD21 LEU A 131 19.057 14.052 -26.309 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.571 13.514 -27.127 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.785 13.216 -25.386 1.00 50.13 H new ATOM 1018 N SER A 132 18.954 8.529 -28.520 1.00 12.44 N ATOM 1019 CA SER A 132 19.843 8.041 -29.567 1.00 34.35 C ATOM 1020 C SER A 132 20.804 9.137 -30.019 1.00 0.35 C ATOM 1021 O SER A 132 20.422 10.302 -30.136 1.00 24.34 O ATOM 1022 CB SER A 132 19.030 7.538 -30.762 1.00 71.11 C ATOM 1023 OG SER A 132 18.724 6.161 -30.625 1.00 74.41 O ATOM 0 H SER A 132 17.965 8.524 -28.769 1.00 12.44 H new ATOM 0 HA SER A 132 20.426 7.216 -29.158 1.00 34.35 H new ATOM 0 HB2 SER A 132 18.108 8.112 -30.846 1.00 71.11 H new ATOM 0 HB3 SER A 132 19.591 7.700 -31.682 1.00 71.11 H new ATOM 0 HG SER A 132 18.203 5.863 -31.400 1.00 74.41 H new ATOM 1029 N ILE A 133 22.052 8.756 -30.267 1.00 2.43 N ATOM 1030 CA ILE A 133 23.067 9.705 -30.706 1.00 72.04 C ATOM 1031 C ILE A 133 22.650 10.398 -31.998 1.00 24.01 C ATOM 1032 O ILE A 133 23.151 11.474 -32.327 1.00 53.43 O ATOM 1033 CB ILE A 133 24.426 9.014 -30.924 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.453 10.016 -31.458 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.277 7.840 -31.880 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.867 9.733 -31.004 1.00 63.31 C ATOM 0 H ILE A 133 22.385 7.797 -30.171 1.00 2.43 H new ATOM 0 HA ILE A 133 23.168 10.448 -29.914 1.00 72.04 H new ATOM 0 HB ILE A 133 24.781 8.634 -29.966 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.422 10.010 -32.548 1.00 14.41 H new ATOM 0 HG13 ILE A 133 25.171 11.019 -31.137 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.246 7.362 -32.024 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.575 7.118 -31.463 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.903 8.197 -32.839 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.540 10.483 -31.421 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.914 9.768 -29.916 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.169 8.744 -31.348 1.00 63.31 H new ATOM 1048 N TYR A 134 21.728 9.778 -32.726 1.00 51.34 N ATOM 1049 CA TYR A 134 21.243 10.335 -33.982 1.00 14.53 C ATOM 1050 C TYR A 134 20.470 11.629 -33.742 1.00 72.13 C ATOM 1051 O TYR A 134 20.541 12.563 -34.540 1.00 64.14 O ATOM 1052 CB TYR A 134 20.352 9.323 -34.704 1.00 10.23 C ATOM 1053 CG TYR A 134 19.943 9.757 -36.093 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.854 10.361 -36.950 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.643 9.565 -36.547 1.00 14.43 C ATOM 1056 CE1 TYR A 134 20.483 10.760 -38.220 1.00 43.31 C ATOM 1057 CE2 TYR A 134 18.264 9.960 -37.815 1.00 22.22 C ATOM 1058 CZ TYR A 134 19.188 10.558 -38.647 1.00 2.11 C ATOM 1059 OH TYR A 134 18.815 10.953 -39.912 1.00 3.43 O ATOM 0 H TYR A 134 21.301 8.888 -32.467 1.00 51.34 H new ATOM 0 HA TYR A 134 22.107 10.559 -34.607 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.878 8.371 -34.771 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.456 9.151 -34.108 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.869 10.521 -36.618 1.00 75.12 H new ATOM 0 HD2 TYR A 134 17.917 9.099 -35.897 1.00 14.43 H new ATOM 0 HE1 TYR A 134 21.204 11.228 -38.874 1.00 43.31 H new ATOM 0 HE2 TYR A 134 17.251 9.802 -38.153 1.00 22.22 H new ATOM 0 HH TYR A 134 17.870 10.738 -40.056 1.00 3.43 H new ATOM 1069 N GLN A 135 19.733 11.674 -32.636 1.00 15.24 N ATOM 1070 CA GLN A 135 18.947 12.852 -32.291 1.00 3.44 C ATOM 1071 C GLN A 135 19.847 13.985 -31.811 1.00 63.55 C ATOM 1072 O GLN A 135 19.664 15.143 -32.193 1.00 15.31 O ATOM 1073 CB GLN A 135 17.922 12.507 -31.209 1.00 23.05 C ATOM 1074 CG GLN A 135 17.285 11.139 -31.388 1.00 5.20 C ATOM 1075 CD GLN A 135 16.909 10.854 -32.829 1.00 34.34 C ATOM 1076 OE1 GLN A 135 16.357 11.711 -33.519 1.00 23.14 O ATOM 1077 NE2 GLN A 135 17.208 9.646 -33.292 1.00 23.23 N ATOM 0 H GLN A 135 19.664 10.909 -31.965 1.00 15.24 H new ATOM 0 HA GLN A 135 18.423 13.183 -33.187 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.408 12.547 -30.234 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.139 13.266 -31.207 1.00 23.05 H new ATOM 0 HG2 GLN A 135 17.976 10.372 -31.038 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.394 11.073 -30.764 1.00 5.20 H new ATOM 0 HE21 GLN A 135 17.666 8.966 -32.685 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.980 9.398 -34.255 1.00 23.23 H new ATOM 1086 N THR A 136 20.822 13.648 -30.972 1.00 4.35 N ATOM 1087 CA THR A 136 21.750 14.637 -30.440 1.00 41.33 C ATOM 1088 C THR A 136 22.400 15.440 -31.560 1.00 13.53 C ATOM 1089 O THR A 136 22.333 16.670 -31.575 1.00 52.25 O ATOM 1090 CB THR A 136 22.852 13.974 -29.592 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.220 12.715 -30.165 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.383 13.768 -28.160 1.00 12.34 C ATOM 0 H THR A 136 20.989 12.696 -30.646 1.00 4.35 H new ATOM 0 HA THR A 136 21.169 15.307 -29.807 1.00 41.33 H new ATOM 0 HB THR A 136 23.719 14.635 -29.582 1.00 42.43 H new ATOM 0 HG1 THR A 136 22.983 12.707 -31.116 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.178 13.298 -27.581 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.132 14.732 -27.717 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.502 13.126 -28.154 1.00 12.34 H new ATOM 1100 N LEU A 137 23.028 14.738 -32.497 1.00 40.20 N ATOM 1101 CA LEU A 137 23.690 15.387 -33.624 1.00 24.30 C ATOM 1102 C LEU A 137 22.673 16.062 -34.538 1.00 25.13 C ATOM 1103 O LEU A 137 22.831 17.226 -34.909 1.00 73.04 O ATOM 1104 CB LEU A 137 24.507 14.366 -34.417 1.00 71.51 C ATOM 1105 CG LEU A 137 25.819 14.875 -35.017 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.856 15.091 -33.926 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.339 13.903 -36.066 1.00 41.53 C ATOM 0 H LEU A 137 23.093 13.720 -32.499 1.00 40.20 H new ATOM 0 HA LEU A 137 24.359 16.151 -33.229 1.00 24.30 H new ATOM 0 HB2 LEU A 137 24.733 13.524 -33.762 1.00 71.51 H new ATOM 0 HB3 LEU A 137 23.885 13.983 -35.226 1.00 71.51 H new ATOM 0 HG LEU A 137 25.627 15.832 -35.502 1.00 14.44 H new ATOM 0 HD11 LEU A 137 27.783 15.453 -34.371 1.00 42.21 H new ATOM 0 HD12 LEU A 137 26.485 15.826 -33.212 1.00 42.21 H new ATOM 0 HD13 LEU A 137 27.045 14.149 -33.412 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.273 14.282 -36.482 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.515 12.931 -35.606 1.00 41.53 H new ATOM 0 HD23 LEU A 137 25.603 13.800 -36.863 1.00 41.53 H new ATOM 1119 N LEU A 138 21.628 15.325 -34.898 1.00 10.14 N ATOM 1120 CA LEU A 138 20.582 15.852 -35.768 1.00 31.24 C ATOM 1121 C LEU A 138 20.069 17.191 -35.251 1.00 11.02 C ATOM 1122 O LEU A 138 19.990 18.168 -35.997 1.00 71.33 O ATOM 1123 CB LEU A 138 19.427 14.855 -35.872 1.00 41.12 C ATOM 1124 CG LEU A 138 18.238 15.293 -36.728 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.576 14.088 -37.377 1.00 14.12 C ATOM 1126 CD2 LEU A 138 17.234 16.069 -35.890 1.00 22.45 C ATOM 0 H LEU A 138 21.482 14.360 -34.601 1.00 10.14 H new ATOM 0 HA LEU A 138 21.010 16.006 -36.759 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.815 13.920 -36.276 1.00 41.12 H new ATOM 0 HB3 LEU A 138 19.066 14.642 -34.866 1.00 41.12 H new ATOM 0 HG LEU A 138 18.605 15.949 -37.517 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.732 14.419 -37.982 1.00 14.12 H new ATOM 0 HD12 LEU A 138 18.298 13.574 -38.011 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.223 13.406 -36.603 1.00 14.12 H new ATOM 0 HD21 LEU A 138 16.395 16.372 -36.516 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.872 15.437 -35.079 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.715 16.954 -35.474 1.00 22.45 H new ATOM 1138 N ALA A 139 19.723 17.231 -33.968 1.00 11.23 N ATOM 1139 CA ALA A 139 19.220 18.452 -33.350 1.00 25.20 C ATOM 1140 C ALA A 139 20.274 19.554 -33.376 1.00 1.41 C ATOM 1141 O ALA A 139 19.996 20.683 -33.778 1.00 21.21 O ATOM 1142 CB ALA A 139 18.777 18.177 -31.921 1.00 44.04 C ATOM 0 H ALA A 139 19.782 16.432 -33.337 1.00 11.23 H new ATOM 0 HA ALA A 139 18.360 18.793 -33.926 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.404 19.098 -31.472 1.00 44.04 H new ATOM 0 HB2 ALA A 139 17.985 17.428 -31.923 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.624 17.808 -31.342 1.00 44.04 H new ATOM 1148 N ALA A 140 21.485 19.219 -32.942 1.00 70.34 N ATOM 1149 CA ALA A 140 22.581 20.180 -32.917 1.00 73.32 C ATOM 1150 C ALA A 140 22.775 20.827 -34.283 1.00 31.53 C ATOM 1151 O ALA A 140 22.995 22.035 -34.385 1.00 61.43 O ATOM 1152 CB ALA A 140 23.866 19.503 -32.464 1.00 20.30 C ATOM 0 H ALA A 140 21.732 18.289 -32.603 1.00 70.34 H new ATOM 0 HA ALA A 140 22.327 20.965 -32.205 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.676 20.232 -32.450 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.728 19.094 -31.463 1.00 20.30 H new ATOM 0 HB3 ALA A 140 24.115 18.697 -33.154 1.00 20.30 H new ATOM 1158 N HIS A 141 22.691 20.017 -35.335 1.00 1.44 N ATOM 1159 CA HIS A 141 22.858 20.512 -36.696 1.00 35.23 C ATOM 1160 C HIS A 141 21.719 21.453 -37.077 1.00 23.11 C ATOM 1161 O HIS A 141 21.941 22.631 -37.354 1.00 71.12 O ATOM 1162 CB HIS A 141 22.921 19.344 -37.681 1.00 54.14 C ATOM 1163 CG HIS A 141 23.164 19.768 -39.098 1.00 62.40 C ATOM 1164 ND1 HIS A 141 24.426 19.930 -39.629 1.00 11.41 N ATOM 1165 CD2 HIS A 141 22.297 20.061 -40.095 1.00 55.51 C ATOM 1166 CE1 HIS A 141 24.325 20.306 -40.891 1.00 43.34 C ATOM 1167 NE2 HIS A 141 23.043 20.393 -41.198 1.00 1.53 N ATOM 0 H HIS A 141 22.508 19.016 -35.270 1.00 1.44 H new ATOM 0 HA HIS A 141 23.795 21.068 -36.741 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.714 18.662 -37.373 1.00 54.14 H new ATOM 0 HB3 HIS A 141 21.985 18.787 -37.632 1.00 54.14 H new ATOM 0 HD2 HIS A 141 21.219 20.038 -40.034 1.00 55.51 H new ATOM 0 HE1 HIS A 141 25.150 20.508 -41.558 1.00 43.34 H new ATOM 0 HE2 HIS A 141 22.668 20.663 -42.107 1.00 1.53 H new ATOM 1176 N GLU A 142 20.499 20.924 -37.087 1.00 21.22 N ATOM 1177 CA GLU A 142 19.326 21.717 -37.435 1.00 60.01 C ATOM 1178 C GLU A 142 19.267 22.995 -36.602 1.00 12.12 C ATOM 1179 O GLU A 142 18.834 24.042 -37.082 1.00 65.25 O ATOM 1180 CB GLU A 142 18.050 20.900 -37.226 1.00 0.33 C ATOM 1181 CG GLU A 142 17.985 19.645 -38.080 1.00 13.53 C ATOM 1182 CD GLU A 142 16.598 19.392 -38.639 1.00 12.43 C ATOM 1183 OE1 GLU A 142 15.924 18.460 -38.152 1.00 13.54 O ATOM 1184 OE2 GLU A 142 16.187 20.125 -39.562 1.00 0.23 O1- ATOM 0 H GLU A 142 20.298 19.951 -36.858 1.00 21.22 H new ATOM 0 HA GLU A 142 19.404 21.992 -38.487 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.977 20.619 -36.175 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.187 21.527 -37.449 1.00 0.33 H new ATOM 0 HG2 GLU A 142 18.694 19.733 -38.903 1.00 13.53 H new ATOM 0 HG3 GLU A 142 18.294 18.787 -37.483 1.00 13.53 H new ATOM 1191 N ARG A 143 19.705 22.900 -35.351 1.00 11.21 N ATOM 1192 CA ARG A 143 19.701 24.046 -34.450 1.00 60.32 C ATOM 1193 C ARG A 143 20.730 25.084 -34.886 1.00 61.53 C ATOM 1194 O ARG A 143 20.528 26.286 -34.710 1.00 4.22 O ATOM 1195 CB ARG A 143 19.989 23.596 -33.016 1.00 31.13 C ATOM 1196 CG ARG A 143 18.764 23.073 -32.284 1.00 61.33 C ATOM 1197 CD ARG A 143 18.906 23.230 -30.778 1.00 34.34 C ATOM 1198 NE ARG A 143 18.161 22.208 -30.048 1.00 43.43 N ATOM 1199 CZ ARG A 143 16.835 22.180 -29.972 1.00 42.24 C ATOM 1200 NH1 ARG A 143 16.113 23.113 -30.577 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 16.229 21.218 -29.288 1.00 72.21 N ATOM 0 H ARG A 143 20.067 22.041 -34.938 1.00 11.21 H new ATOM 0 HA ARG A 143 18.712 24.503 -34.488 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.751 22.817 -33.035 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.405 24.435 -32.458 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.878 23.609 -32.625 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.614 22.022 -32.529 1.00 61.33 H new ATOM 0 HD2 ARG A 143 19.960 23.174 -30.506 1.00 34.34 H new ATOM 0 HD3 ARG A 143 18.552 24.217 -30.482 1.00 34.34 H new ATOM 0 HE ARG A 143 18.687 21.476 -29.571 1.00 43.43 H new ATOM 0 HH11 ARG A 143 16.575 23.855 -31.103 1.00 31.10 H new ATOM 0 HH12 ARG A 143 15.095 23.089 -30.517 1.00 31.10 H new ATOM 0 HH21 ARG A 143 16.781 20.499 -28.820 1.00 72.21 H new ATOM 0 HH22 ARG A 143 15.211 21.197 -29.230 1.00 72.21 H new ATOM 1215 N LEU A 144 21.834 24.612 -35.455 1.00 51.52 N ATOM 1216 CA LEU A 144 22.896 25.499 -35.916 1.00 34.24 C ATOM 1217 C LEU A 144 22.394 26.421 -37.023 1.00 61.12 C ATOM 1218 O LEU A 144 22.808 27.576 -37.117 1.00 51.43 O ATOM 1219 CB LEU A 144 24.087 24.681 -36.420 1.00 61.43 C ATOM 1220 CG LEU A 144 25.290 25.484 -36.917 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.142 25.949 -35.748 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.119 24.656 -37.888 1.00 54.33 C ATOM 0 H LEU A 144 22.017 23.620 -35.608 1.00 51.52 H new ATOM 0 HA LEU A 144 23.214 26.113 -35.073 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.420 24.027 -35.614 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.744 24.039 -37.231 1.00 61.43 H new ATOM 0 HG LEU A 144 24.922 26.365 -37.443 1.00 62.04 H new ATOM 0 HD11 LEU A 144 26.993 26.518 -36.122 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.544 26.580 -35.090 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.501 25.083 -35.192 1.00 42.11 H new ATOM 0 HD21 LEU A 144 26.971 25.243 -38.232 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.477 23.757 -37.386 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.504 24.374 -38.743 1.00 54.33 H new ATOM 1234 N GLN A 145 21.497 25.902 -37.856 1.00 51.00 N ATOM 1235 CA GLN A 145 20.937 26.681 -38.955 1.00 12.25 C ATOM 1236 C GLN A 145 19.510 27.119 -38.640 1.00 12.51 C ATOM 1237 O GLN A 145 18.668 27.214 -39.533 1.00 14.40 O ATOM 1238 CB GLN A 145 20.959 25.864 -40.248 1.00 54.30 C ATOM 1239 CG GLN A 145 22.298 25.202 -40.527 1.00 44.02 C ATOM 1240 CD GLN A 145 22.382 23.797 -39.964 1.00 45.43 C ATOM 1241 OE1 GLN A 145 21.376 23.095 -39.862 1.00 3.44 O ATOM 1242 NE2 GLN A 145 23.587 23.379 -39.594 1.00 40.43 N ATOM 0 H GLN A 145 21.143 24.948 -37.791 1.00 51.00 H new ATOM 0 HA GLN A 145 21.550 27.573 -39.086 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.187 25.096 -40.196 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.704 26.515 -41.084 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.465 25.169 -41.604 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.096 25.809 -40.099 1.00 44.02 H new ATOM 0 HE21 GLN A 145 24.394 23.994 -39.696 1.00 40.43 H new ATOM 0 HE22 GLN A 145 23.706 22.443 -39.208 1.00 40.43 H new ATOM 1251 N ALA A 146 19.246 27.385 -37.365 1.00 25.41 N ATOM 1252 CA ALA A 146 17.923 27.815 -36.933 1.00 61.13 C ATOM 1253 C ALA A 146 17.913 29.300 -36.587 1.00 43.10 C ATOM 1254 O ALA A 146 18.919 29.993 -36.749 1.00 53.12 O ATOM 1255 CB ALA A 146 17.464 26.991 -35.740 1.00 73.03 C ATOM 0 H ALA A 146 19.931 27.310 -36.613 1.00 25.41 H new ATOM 0 HA ALA A 146 17.230 27.657 -37.759 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.474 27.323 -35.428 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.422 25.938 -36.019 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.166 27.120 -34.917 1.00 73.03 H new ATOM 1261 N LEU A 147 16.773 29.784 -36.109 1.00 64.13 N ATOM 1262 CA LEU A 147 16.632 31.189 -35.740 1.00 53.53 C ATOM 1263 C LEU A 147 17.072 31.419 -34.298 1.00 25.45 C ATOM 1264 O LEU A 147 16.221 31.591 -33.428 1.00 52.04 O ATOM 1265 CB LEU A 147 15.182 31.641 -35.920 1.00 12.24 C ATOM 1266 CG LEU A 147 14.704 31.802 -37.364 1.00 10.30 C ATOM 1267 CD1 LEU A 147 14.323 30.452 -37.954 1.00 75.04 C ATOM 1268 CD2 LEU A 147 13.529 32.766 -37.433 1.00 34.23 C ATOM 0 H LEU A 147 15.932 29.225 -35.967 1.00 64.13 H new ATOM 0 HA LEU A 147 17.274 31.778 -36.396 1.00 53.53 H new ATOM 0 HB2 LEU A 147 14.533 30.921 -35.422 1.00 12.24 H new ATOM 0 HB3 LEU A 147 15.053 32.594 -35.407 1.00 12.24 H new ATOM 0 HG LEU A 147 15.523 32.216 -37.953 1.00 10.30 H new ATOM 0 HD11 LEU A 147 13.985 30.586 -38.982 1.00 75.04 H new ATOM 0 HD12 LEU A 147 15.190 29.791 -37.940 1.00 75.04 H new ATOM 0 HD13 LEU A 147 13.521 30.010 -37.363 1.00 75.04 H new ATOM 0 HD21 LEU A 147 13.202 32.868 -38.468 1.00 34.23 H new ATOM 0 HD22 LEU A 147 12.707 32.381 -36.829 1.00 34.23 H new ATOM 0 HD23 LEU A 147 13.835 33.740 -37.051 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 87.107 -10.318 -20.778 1.00 21.13 N ATOM 1282 CA HIS B 518 85.988 -9.386 -20.860 1.00 35.22 C ATOM 1283 C HIS B 518 84.695 -10.046 -20.393 1.00 35.13 C ATOM 1284 O HIS B 518 84.589 -11.271 -20.359 1.00 13.03 O ATOM 1285 CB HIS B 518 85.827 -8.876 -22.292 1.00 50.40 C ATOM 1286 CG HIS B 518 85.734 -9.970 -23.310 1.00 11.31 C ATOM 1287 ND1 HIS B 518 86.810 -10.389 -24.064 1.00 51.44 N ATOM 1288 CD2 HIS B 518 84.686 -10.733 -23.697 1.00 52.22 C ATOM 1289 CE1 HIS B 518 86.426 -11.362 -24.872 1.00 51.12 C ATOM 1290 NE2 HIS B 518 85.142 -11.590 -24.667 1.00 12.11 N ATOM 0 HA HIS B 518 86.201 -8.542 -20.203 1.00 35.22 H new ATOM 0 HB2 HIS B 518 84.930 -8.259 -22.351 1.00 50.40 H new ATOM 0 HB3 HIS B 518 86.673 -8.233 -22.537 1.00 50.40 H new ATOM 0 HD2 HIS B 518 83.678 -10.678 -23.314 1.00 52.22 H new ATOM 0 HE1 HIS B 518 87.055 -11.882 -25.579 1.00 51.12 H new ATOM 0 HE2 HIS B 518 84.580 -12.290 -25.151 1.00 12.11 H new ATOM 1299 N MET B 519 83.713 -9.225 -20.033 1.00 20.22 N ATOM 1300 CA MET B 519 82.427 -9.730 -19.568 1.00 45.23 C ATOM 1301 C MET B 519 81.277 -9.016 -20.273 1.00 50.30 C ATOM 1302 O MET B 519 81.493 -8.079 -21.041 1.00 40.52 O ATOM 1303 CB MET B 519 82.301 -9.553 -18.054 1.00 3.13 C ATOM 1304 CG MET B 519 83.064 -10.597 -17.255 1.00 31.34 C ATOM 1305 SD MET B 519 82.993 -10.300 -15.478 1.00 5.43 S ATOM 1306 CE MET B 519 83.570 -11.875 -14.848 1.00 34.34 C ATOM 0 H MET B 519 83.784 -8.208 -20.055 1.00 20.22 H new ATOM 0 HA MET B 519 82.374 -10.792 -19.807 1.00 45.23 H new ATOM 0 HB2 MET B 519 82.663 -8.562 -17.781 1.00 3.13 H new ATOM 0 HB3 MET B 519 81.247 -9.595 -17.778 1.00 3.13 H new ATOM 0 HG2 MET B 519 82.656 -11.584 -17.471 1.00 31.34 H new ATOM 0 HG3 MET B 519 84.105 -10.606 -17.577 1.00 31.34 H new ATOM 0 HE1 MET B 519 83.582 -11.849 -13.758 1.00 34.34 H new ATOM 0 HE2 MET B 519 82.902 -12.668 -15.184 1.00 34.34 H new ATOM 0 HE3 MET B 519 84.577 -12.068 -15.218 1.00 34.34 H new ATOM 1316 N ASP B 520 80.056 -9.466 -20.005 1.00 74.23 N ATOM 1317 CA ASP B 520 78.871 -8.870 -20.613 1.00 31.44 C ATOM 1318 C ASP B 520 78.516 -7.552 -19.932 1.00 44.32 C ATOM 1319 O ASP B 520 78.933 -7.274 -18.807 1.00 1.42 O ATOM 1320 CB ASP B 520 77.688 -9.836 -20.529 1.00 25.13 C ATOM 1321 CG ASP B 520 77.628 -10.782 -21.712 1.00 32.35 C ATOM 1322 OD1 ASP B 520 77.107 -10.373 -22.772 1.00 72.23 O ATOM 1323 OD2 ASP B 520 78.099 -11.929 -21.579 1.00 3.02 O1- ATOM 0 H ASP B 520 79.861 -10.241 -19.371 1.00 74.23 H new ATOM 0 HA ASP B 520 79.093 -8.669 -21.661 1.00 31.44 H new ATOM 0 HB2 ASP B 520 77.760 -10.415 -19.608 1.00 25.13 H new ATOM 0 HB3 ASP B 520 76.760 -9.266 -20.476 1.00 25.13 H new ATOM 1328 N PRO B 521 77.731 -6.718 -20.630 1.00 54.32 N ATOM 1329 CA PRO B 521 77.304 -5.414 -20.112 1.00 73.43 C ATOM 1330 C PRO B 521 76.312 -5.544 -18.963 1.00 14.40 C ATOM 1331 O PRO B 521 76.467 -4.906 -17.920 1.00 3.11 O ATOM 1332 CB PRO B 521 76.637 -4.754 -21.323 1.00 34.25 C ATOM 1333 CG PRO B 521 76.184 -5.890 -22.173 1.00 74.43 C ATOM 1334 CD PRO B 521 77.198 -6.984 -21.976 1.00 2.40 C ATOM 0 HA PRO B 521 78.138 -4.844 -19.703 1.00 73.43 H new ATOM 0 HB2 PRO B 521 75.798 -4.127 -21.020 1.00 34.25 H new ATOM 0 HB3 PRO B 521 77.336 -4.113 -21.859 1.00 34.25 H new ATOM 0 HG2 PRO B 521 75.188 -6.223 -21.881 1.00 74.43 H new ATOM 0 HG3 PRO B 521 76.127 -5.595 -23.221 1.00 74.43 H new ATOM 0 HD2 PRO B 521 76.741 -7.971 -22.039 1.00 2.40 H new ATOM 0 HD3 PRO B 521 77.981 -6.947 -22.733 1.00 2.40 H new ATOM 1342 N LEU B 522 75.292 -6.373 -19.157 1.00 1.11 N ATOM 1343 CA LEU B 522 74.274 -6.586 -18.134 1.00 75.22 C ATOM 1344 C LEU B 522 73.319 -7.704 -18.542 1.00 30.33 C ATOM 1345 O LEU B 522 73.574 -8.436 -19.499 1.00 4.43 O ATOM 1346 CB LEU B 522 73.491 -5.296 -17.888 1.00 22.31 C ATOM 1347 CG LEU B 522 72.595 -4.825 -19.036 1.00 23.42 C ATOM 1348 CD1 LEU B 522 71.132 -4.881 -18.627 1.00 31.54 C ATOM 1349 CD2 LEU B 522 72.978 -3.417 -19.467 1.00 64.43 C ATOM 0 H LEU B 522 75.148 -6.909 -20.013 1.00 1.11 H new ATOM 0 HA LEU B 522 74.776 -6.879 -17.212 1.00 75.22 H new ATOM 0 HB2 LEU B 522 72.870 -5.434 -17.003 1.00 22.31 H new ATOM 0 HB3 LEU B 522 74.201 -4.502 -17.658 1.00 22.31 H new ATOM 0 HG LEU B 522 72.739 -5.494 -19.884 1.00 23.42 H new ATOM 0 HD11 LEU B 522 70.509 -4.543 -19.455 1.00 31.54 H new ATOM 0 HD12 LEU B 522 70.866 -5.906 -18.368 1.00 31.54 H new ATOM 0 HD13 LEU B 522 70.970 -4.235 -17.764 1.00 31.54 H new ATOM 0 HD21 LEU B 522 72.331 -3.098 -20.284 1.00 64.43 H new ATOM 0 HD22 LEU B 522 72.862 -2.735 -18.625 1.00 64.43 H new ATOM 0 HD23 LEU B 522 74.015 -3.408 -19.801 1.00 64.43 H new ATOM 1361 N THR B 523 72.216 -7.830 -17.810 1.00 53.05 N ATOM 1362 CA THR B 523 71.223 -8.857 -18.096 1.00 40.25 C ATOM 1363 C THR B 523 69.993 -8.260 -18.771 1.00 12.10 C ATOM 1364 O THR B 523 69.099 -7.718 -18.120 1.00 20.21 O ATOM 1365 CB THR B 523 70.785 -9.588 -16.813 1.00 32.04 C ATOM 1366 OG1 THR B 523 70.676 -8.655 -15.730 1.00 63.35 O ATOM 1367 CG2 THR B 523 71.777 -10.681 -16.448 1.00 73.11 C ATOM 0 H THR B 523 71.989 -7.233 -17.015 1.00 53.05 H new ATOM 0 HA THR B 523 71.694 -9.572 -18.771 1.00 40.25 H new ATOM 0 HB THR B 523 69.813 -10.047 -16.996 1.00 32.04 H new ATOM 0 HG1 THR B 523 70.095 -7.912 -15.996 1.00 63.35 H new ATOM 0 HG21 THR B 523 71.447 -11.183 -15.539 1.00 73.11 H new ATOM 0 HG22 THR B 523 71.837 -11.405 -17.261 1.00 73.11 H new ATOM 0 HG23 THR B 523 72.760 -10.240 -16.282 1.00 73.11 H new ATOM 1375 N PRO B 524 69.944 -8.360 -20.107 1.00 61.23 N ATOM 1376 CA PRO B 524 68.827 -7.836 -20.900 1.00 21.31 C ATOM 1377 C PRO B 524 67.545 -8.636 -20.694 1.00 11.10 C ATOM 1378 O PRO B 524 67.538 -9.645 -19.988 1.00 65.14 O ATOM 1379 CB PRO B 524 69.319 -7.977 -22.343 1.00 71.15 C ATOM 1380 CG PRO B 524 70.315 -9.084 -22.297 1.00 14.31 C ATOM 1381 CD PRO B 524 70.973 -8.993 -20.948 1.00 21.34 C ATOM 0 HA PRO B 524 68.573 -6.814 -20.620 1.00 21.31 H new ATOM 0 HB2 PRO B 524 68.498 -8.211 -23.020 1.00 71.15 H new ATOM 0 HB3 PRO B 524 69.772 -7.052 -22.699 1.00 71.15 H new ATOM 0 HG2 PRO B 524 69.830 -10.051 -22.430 1.00 14.31 H new ATOM 0 HG3 PRO B 524 71.049 -8.982 -23.097 1.00 14.31 H new ATOM 0 HD2 PRO B 524 71.251 -9.977 -20.570 1.00 21.34 H new ATOM 0 HD3 PRO B 524 71.884 -8.396 -20.985 1.00 21.34 H new ATOM 1389 N ASP B 525 66.463 -8.180 -21.315 1.00 31.30 N ATOM 1390 CA ASP B 525 65.175 -8.855 -21.202 1.00 51.41 C ATOM 1391 C ASP B 525 64.725 -8.925 -19.746 1.00 61.44 C ATOM 1392 O ASP B 525 64.471 -10.007 -19.217 1.00 70.22 O ATOM 1393 CB ASP B 525 65.259 -10.263 -21.791 1.00 53.22 C ATOM 1394 CG ASP B 525 63.892 -10.884 -22.004 1.00 74.23 C ATOM 1395 OD1 ASP B 525 63.536 -11.808 -21.243 1.00 15.03 O ATOM 1396 OD2 ASP B 525 63.179 -10.447 -22.932 1.00 4.21 O1- ATOM 0 H ASP B 525 66.452 -7.346 -21.902 1.00 31.30 H new ATOM 0 HA ASP B 525 64.440 -8.279 -21.764 1.00 51.41 H new ATOM 0 HB2 ASP B 525 65.790 -10.225 -22.742 1.00 53.22 H new ATOM 0 HB3 ASP B 525 65.844 -10.898 -21.125 1.00 53.22 H new ATOM 1401 N ALA B 526 64.631 -7.766 -19.104 1.00 64.40 N ATOM 1402 CA ALA B 526 64.211 -7.696 -17.710 1.00 74.21 C ATOM 1403 C ALA B 526 62.978 -6.813 -17.551 1.00 60.43 C ATOM 1404 O ALA B 526 62.975 -5.871 -16.757 1.00 3.51 O ATOM 1405 CB ALA B 526 65.348 -7.178 -16.841 1.00 22.02 C ATOM 0 H ALA B 526 64.840 -6.862 -19.527 1.00 64.40 H new ATOM 0 HA ALA B 526 63.949 -8.703 -17.385 1.00 74.21 H new ATOM 0 HB1 ALA B 526 65.020 -7.131 -15.803 1.00 22.02 H new ATOM 0 HB2 ALA B 526 66.203 -7.850 -16.922 1.00 22.02 H new ATOM 0 HB3 ALA B 526 65.637 -6.182 -17.176 1.00 22.02 H new ATOM 1411 N SER B 527 61.932 -7.123 -18.311 1.00 22.23 N ATOM 1412 CA SER B 527 60.694 -6.354 -18.258 1.00 10.42 C ATOM 1413 C SER B 527 59.549 -7.121 -18.912 1.00 55.23 C ATOM 1414 O SER B 527 59.761 -7.897 -19.843 1.00 74.31 O ATOM 1415 CB SER B 527 60.878 -5.002 -18.949 1.00 54.03 C ATOM 1416 OG SER B 527 60.985 -5.157 -20.354 1.00 33.11 O ATOM 0 H SER B 527 61.917 -7.901 -18.970 1.00 22.23 H new ATOM 0 HA SER B 527 60.444 -6.187 -17.210 1.00 10.42 H new ATOM 0 HB2 SER B 527 60.034 -4.353 -18.715 1.00 54.03 H new ATOM 0 HB3 SER B 527 61.773 -4.513 -18.565 1.00 54.03 H new ATOM 0 HG SER B 527 61.100 -4.278 -20.772 1.00 33.11 H new ATOM 1422 N GLU B 528 58.336 -6.897 -18.418 1.00 34.44 N ATOM 1423 CA GLU B 528 57.158 -7.568 -18.955 1.00 70.03 C ATOM 1424 C GLU B 528 56.138 -6.553 -19.463 1.00 45.40 C ATOM 1425 O GLU B 528 55.948 -6.398 -20.670 1.00 23.21 O ATOM 1426 CB GLU B 528 56.519 -8.457 -17.885 1.00 24.51 C ATOM 1427 CG GLU B 528 57.439 -9.555 -17.378 1.00 63.11 C ATOM 1428 CD GLU B 528 57.962 -10.438 -18.493 1.00 25.14 C ATOM 1429 OE1 GLU B 528 59.183 -10.706 -18.513 1.00 15.45 O ATOM 1430 OE2 GLU B 528 57.154 -10.861 -19.346 1.00 52.05 O1- ATOM 0 H GLU B 528 58.143 -6.257 -17.648 1.00 34.44 H new ATOM 0 HA GLU B 528 57.475 -8.189 -19.793 1.00 70.03 H new ATOM 0 HB2 GLU B 528 56.211 -7.835 -17.044 1.00 24.51 H new ATOM 0 HB3 GLU B 528 55.616 -8.911 -18.293 1.00 24.51 H new ATOM 0 HG2 GLU B 528 58.280 -9.105 -16.851 1.00 63.11 H new ATOM 0 HG3 GLU B 528 56.902 -10.169 -16.655 1.00 63.11 H new ATOM 1437 N SER B 529 55.483 -5.863 -18.533 1.00 24.10 N ATOM 1438 CA SER B 529 54.480 -4.867 -18.886 1.00 74.23 C ATOM 1439 C SER B 529 54.716 -3.565 -18.126 1.00 3.40 C ATOM 1440 O SER B 529 53.788 -2.986 -17.561 1.00 61.24 O ATOM 1441 CB SER B 529 53.076 -5.397 -18.589 1.00 63.34 C ATOM 1442 OG SER B 529 52.902 -5.629 -17.201 1.00 34.34 O ATOM 0 H SER B 529 55.630 -5.977 -17.530 1.00 24.10 H new ATOM 0 HA SER B 529 54.565 -4.665 -19.954 1.00 74.23 H new ATOM 0 HB2 SER B 529 52.332 -4.681 -18.937 1.00 63.34 H new ATOM 0 HB3 SER B 529 52.909 -6.323 -19.140 1.00 63.34 H new ATOM 0 HG SER B 529 51.996 -5.966 -17.037 1.00 34.34 H new ATOM 1448 N VAL B 530 55.966 -3.111 -18.115 1.00 34.03 N ATOM 1449 CA VAL B 530 56.325 -1.878 -17.424 1.00 72.15 C ATOM 1450 C VAL B 530 56.748 -0.798 -18.414 1.00 13.35 C ATOM 1451 O VAL B 530 57.550 -1.047 -19.314 1.00 62.34 O ATOM 1452 CB VAL B 530 57.466 -2.112 -16.416 1.00 51.23 C ATOM 1453 CG1 VAL B 530 57.844 -0.810 -15.727 1.00 75.24 C ATOM 1454 CG2 VAL B 530 57.067 -3.168 -15.397 1.00 2.14 C ATOM 0 H VAL B 530 56.746 -3.578 -18.577 1.00 34.03 H new ATOM 0 HA VAL B 530 55.438 -1.546 -16.885 1.00 72.15 H new ATOM 0 HB VAL B 530 58.339 -2.475 -16.958 1.00 51.23 H new ATOM 0 HG11 VAL B 530 58.651 -0.994 -15.018 1.00 75.24 H new ATOM 0 HG12 VAL B 530 58.174 -0.086 -16.472 1.00 75.24 H new ATOM 0 HG13 VAL B 530 56.978 -0.415 -15.196 1.00 75.24 H new ATOM 0 HG21 VAL B 530 57.885 -3.321 -14.692 1.00 2.14 H new ATOM 0 HG22 VAL B 530 56.180 -2.836 -14.857 1.00 2.14 H new ATOM 0 HG23 VAL B 530 56.850 -4.105 -15.910 1.00 2.14 H new ATOM 1464 N ASN B 531 56.206 0.402 -18.239 1.00 50.32 N ATOM 1465 CA ASN B 531 56.528 1.521 -19.117 1.00 54.32 C ATOM 1466 C ASN B 531 56.367 2.850 -18.385 1.00 34.52 C ATOM 1467 O ASN B 531 55.705 2.925 -17.350 1.00 34.23 O ATOM 1468 CB ASN B 531 55.633 1.498 -20.357 1.00 1.55 C ATOM 1469 CG ASN B 531 55.967 0.348 -21.289 1.00 54.25 C ATOM 1470 OD1 ASN B 531 56.760 0.499 -22.219 1.00 63.14 O ATOM 1471 ND2 ASN B 531 55.362 -0.808 -21.042 1.00 21.12 N ATOM 0 H ASN B 531 55.542 0.625 -17.498 1.00 50.32 H new ATOM 0 HA ASN B 531 57.568 1.420 -19.426 1.00 54.32 H new ATOM 0 HB2 ASN B 531 54.591 1.421 -20.048 1.00 1.55 H new ATOM 0 HB3 ASN B 531 55.737 2.440 -20.895 1.00 1.55 H new ATOM 0 HD21 ASN B 531 55.547 -1.617 -21.634 1.00 21.12 H new ATOM 0 HD22 ASN B 531 54.712 -0.887 -20.260 1.00 21.12 H new ATOM 1478 N ASN B 532 56.976 3.898 -18.931 1.00 22.22 N ATOM 1479 CA ASN B 532 56.899 5.225 -18.331 1.00 1.42 C ATOM 1480 C ASN B 532 56.623 6.287 -19.391 1.00 44.13 C ATOM 1481 O ASN B 532 57.400 6.456 -20.331 1.00 32.50 O ATOM 1482 CB ASN B 532 58.201 5.549 -17.595 1.00 52.44 C ATOM 1483 CG ASN B 532 59.429 5.156 -18.392 1.00 72.53 C ATOM 1484 OD1 ASN B 532 59.756 3.975 -18.507 1.00 72.51 O ATOM 1485 ND2 ASN B 532 60.118 6.147 -18.946 1.00 42.51 N ATOM 0 H ASN B 532 57.528 3.854 -19.788 1.00 22.22 H new ATOM 0 HA ASN B 532 56.075 5.227 -17.618 1.00 1.42 H new ATOM 0 HB2 ASN B 532 58.237 6.617 -17.380 1.00 52.44 H new ATOM 0 HB3 ASN B 532 58.212 5.030 -16.636 1.00 52.44 H new ATOM 0 HD21 ASN B 532 60.955 5.943 -19.493 1.00 42.51 H new ATOM 0 HD22 ASN B 532 59.811 7.112 -18.825 1.00 42.51 H new ATOM 1492 N ILE B 533 55.512 6.998 -19.232 1.00 4.31 N ATOM 1493 CA ILE B 533 55.135 8.044 -20.174 1.00 60.32 C ATOM 1494 C ILE B 533 54.178 9.044 -19.532 1.00 54.13 C ATOM 1495 O ILE B 533 53.576 8.764 -18.494 1.00 12.31 O ATOM 1496 CB ILE B 533 54.474 7.455 -21.434 1.00 51.21 C ATOM 1497 CG1 ILE B 533 53.632 6.230 -21.070 1.00 70.53 C ATOM 1498 CG2 ILE B 533 55.530 7.091 -22.465 1.00 41.24 C ATOM 1499 CD1 ILE B 533 52.540 6.525 -20.065 1.00 11.24 C ATOM 0 H ILE B 533 54.858 6.869 -18.460 1.00 4.31 H new ATOM 0 HA ILE B 533 56.053 8.556 -20.461 1.00 60.32 H new ATOM 0 HB ILE B 533 53.816 8.209 -21.867 1.00 51.21 H new ATOM 0 HG12 ILE B 533 53.181 5.827 -21.977 1.00 70.53 H new ATOM 0 HG13 ILE B 533 54.286 5.456 -20.668 1.00 70.53 H new ATOM 0 HG21 ILE B 533 55.047 6.676 -23.350 1.00 41.24 H new ATOM 0 HG22 ILE B 533 56.090 7.984 -22.743 1.00 41.24 H new ATOM 0 HG23 ILE B 533 56.211 6.352 -22.043 1.00 41.24 H new ATOM 0 HD11 ILE B 533 51.984 5.612 -19.854 1.00 11.24 H new ATOM 0 HD12 ILE B 533 52.985 6.900 -19.143 1.00 11.24 H new ATOM 0 HD13 ILE B 533 51.863 7.276 -20.473 1.00 11.24 H new ATOM 1511 N LEU B 534 54.041 10.209 -20.156 1.00 4.44 N ATOM 1512 CA LEU B 534 53.156 11.250 -19.647 1.00 61.11 C ATOM 1513 C LEU B 534 51.719 10.747 -19.556 1.00 32.54 C ATOM 1514 O LEU B 534 51.376 9.707 -20.120 1.00 62.31 O ATOM 1515 CB LEU B 534 53.220 12.485 -20.546 1.00 2.04 C ATOM 1516 CG LEU B 534 52.611 12.334 -21.940 1.00 60.34 C ATOM 1517 CD1 LEU B 534 52.081 13.668 -22.440 1.00 34.13 C ATOM 1518 CD2 LEU B 534 53.636 11.768 -22.911 1.00 61.30 C ATOM 0 H LEU B 534 54.532 10.456 -21.015 1.00 4.44 H new ATOM 0 HA LEU B 534 53.491 11.519 -18.645 1.00 61.11 H new ATOM 0 HB2 LEU B 534 52.714 13.306 -20.038 1.00 2.04 H new ATOM 0 HB3 LEU B 534 54.265 12.774 -20.658 1.00 2.04 H new ATOM 0 HG LEU B 534 51.776 11.636 -21.876 1.00 60.34 H new ATOM 0 HD11 LEU B 534 51.652 13.540 -23.434 1.00 34.13 H new ATOM 0 HD12 LEU B 534 51.314 14.034 -21.758 1.00 34.13 H new ATOM 0 HD13 LEU B 534 52.897 14.389 -22.488 1.00 34.13 H new ATOM 0 HD21 LEU B 534 53.185 11.667 -23.898 1.00 61.30 H new ATOM 0 HD22 LEU B 534 54.492 12.441 -22.970 1.00 61.30 H new ATOM 0 HD23 LEU B 534 53.967 10.790 -22.562 1.00 61.30 H new ATOM 1530 N LYS B 535 50.880 11.493 -18.845 1.00 14.02 N ATOM 1531 CA LYS B 535 49.479 11.125 -18.683 1.00 64.31 C ATOM 1532 C LYS B 535 48.638 11.663 -19.836 1.00 72.41 C ATOM 1533 O LYS B 535 47.932 12.661 -19.689 1.00 14.31 O ATOM 1534 CB LYS B 535 48.940 11.660 -17.354 1.00 54.24 C ATOM 1535 CG LYS B 535 49.357 10.829 -16.151 1.00 50.42 C ATOM 1536 CD LYS B 535 50.709 11.266 -15.613 1.00 13.13 C ATOM 1537 CE LYS B 535 50.595 12.533 -14.781 1.00 52.33 C ATOM 1538 NZ LYS B 535 51.778 12.726 -13.898 1.00 62.51 N1+ ATOM 0 H LYS B 535 51.146 12.356 -18.372 1.00 14.02 H new ATOM 0 HA LYS B 535 49.413 10.037 -18.684 1.00 64.31 H new ATOM 0 HB2 LYS B 535 49.287 12.684 -17.216 1.00 54.24 H new ATOM 0 HB3 LYS B 535 47.852 11.696 -17.401 1.00 54.24 H new ATOM 0 HG2 LYS B 535 48.606 10.920 -15.367 1.00 50.42 H new ATOM 0 HG3 LYS B 535 49.399 9.777 -16.432 1.00 50.42 H new ATOM 0 HD2 LYS B 535 51.135 10.468 -15.005 1.00 13.13 H new ATOM 0 HD3 LYS B 535 51.395 11.435 -16.443 1.00 13.13 H new ATOM 0 HE2 LYS B 535 50.491 13.393 -15.442 1.00 52.33 H new ATOM 0 HE3 LYS B 535 49.692 12.488 -14.173 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 51.661 13.601 -13.348 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 51.863 11.917 -13.249 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 52.638 12.795 -14.479 1.00 62.51 H new ATOM 1552 N GLN B 536 48.718 10.995 -20.983 1.00 24.12 N ATOM 1553 CA GLN B 536 47.964 11.407 -22.161 1.00 22.34 C ATOM 1554 C GLN B 536 46.810 10.446 -22.432 1.00 62.32 C ATOM 1555 O GLN B 536 45.755 10.850 -22.920 1.00 50.41 O ATOM 1556 CB GLN B 536 48.882 11.478 -23.382 1.00 51.31 C ATOM 1557 CG GLN B 536 49.793 10.270 -23.529 1.00 35.41 C ATOM 1558 CD GLN B 536 50.660 10.340 -24.770 1.00 30.51 C ATOM 1559 OE1 GLN B 536 50.868 11.414 -25.336 1.00 45.21 O ATOM 1560 NE2 GLN B 536 51.173 9.194 -25.201 1.00 61.41 N ATOM 0 H GLN B 536 49.297 10.167 -21.121 1.00 24.12 H new ATOM 0 HA GLN B 536 47.551 12.397 -21.969 1.00 22.34 H new ATOM 0 HB2 GLN B 536 48.272 11.574 -24.280 1.00 51.31 H new ATOM 0 HB3 GLN B 536 49.493 12.378 -23.315 1.00 51.31 H new ATOM 0 HG2 GLN B 536 50.431 10.192 -22.649 1.00 35.41 H new ATOM 0 HG3 GLN B 536 49.187 9.365 -23.565 1.00 35.41 H new ATOM 0 HE21 GLN B 536 50.975 8.327 -24.702 1.00 61.41 H new ATOM 0 HE22 GLN B 536 51.765 9.181 -26.031 1.00 61.41 H new ATOM 1569 N SER B 537 47.020 9.173 -22.112 1.00 14.31 N ATOM 1570 CA SER B 537 45.999 8.154 -22.326 1.00 14.23 C ATOM 1571 C SER B 537 45.674 8.013 -23.810 1.00 74.01 C ATOM 1572 O SER B 537 44.542 7.709 -24.183 1.00 11.11 O ATOM 1573 CB SER B 537 44.730 8.501 -21.544 1.00 13.52 C ATOM 1574 OG SER B 537 44.281 7.394 -20.784 1.00 64.54 O ATOM 0 H SER B 537 47.887 8.823 -21.704 1.00 14.31 H new ATOM 0 HA SER B 537 46.390 7.202 -21.966 1.00 14.23 H new ATOM 0 HB2 SER B 537 44.926 9.345 -20.882 1.00 13.52 H new ATOM 0 HB3 SER B 537 43.947 8.813 -22.235 1.00 13.52 H new ATOM 0 HG SER B 537 43.470 7.642 -20.292 1.00 64.54 H new ATOM 1580 N GLY B 538 46.678 8.236 -24.652 1.00 40.34 N ATOM 1581 CA GLY B 538 46.480 8.129 -26.086 1.00 13.30 C ATOM 1582 C GLY B 538 46.709 9.446 -26.802 1.00 44.23 C ATOM 1583 O GLY B 538 46.617 10.513 -26.198 1.00 4.52 O ATOM 0 H GLY B 538 47.624 8.489 -24.367 1.00 40.34 H new ATOM 0 HA2 GLY B 538 47.159 7.377 -26.488 1.00 13.30 H new ATOM 0 HA3 GLY B 538 45.466 7.782 -26.285 1.00 13.30 H new ATOM 1587 N ALA B 539 47.010 9.370 -28.094 1.00 15.34 N ATOM 1588 CA ALA B 539 47.253 10.564 -28.894 1.00 61.14 C ATOM 1589 C ALA B 539 46.041 10.904 -29.756 1.00 52.01 C ATOM 1590 O ALA B 539 45.175 10.058 -29.988 1.00 53.15 O ATOM 1591 CB ALA B 539 48.486 10.375 -29.765 1.00 63.32 C ATOM 0 H ALA B 539 47.091 8.494 -28.609 1.00 15.34 H new ATOM 0 HA ALA B 539 47.427 11.397 -28.213 1.00 61.14 H new ATOM 0 HB1 ALA B 539 48.655 11.275 -30.357 1.00 63.32 H new ATOM 0 HB2 ALA B 539 49.354 10.189 -29.132 1.00 63.32 H new ATOM 0 HB3 ALA B 539 48.334 9.526 -30.431 1.00 63.32 H new ATOM 1597 N TRP B 540 45.985 12.143 -30.227 1.00 64.23 N ATOM 1598 CA TRP B 540 44.878 12.594 -31.064 1.00 74.22 C ATOM 1599 C TRP B 540 45.384 13.104 -32.409 1.00 14.34 C ATOM 1600 O TRP B 540 46.255 13.973 -32.465 1.00 54.13 O ATOM 1601 CB TRP B 540 44.088 13.693 -30.352 1.00 74.04 C ATOM 1602 CG TRP B 540 43.874 13.420 -28.894 1.00 15.41 C ATOM 1603 CD1 TRP B 540 43.637 12.207 -28.313 1.00 11.20 C ATOM 1604 CD2 TRP B 540 43.875 14.383 -27.833 1.00 44.12 C ATOM 1605 NE1 TRP B 540 43.491 12.357 -26.955 1.00 30.21 N ATOM 1606 CE2 TRP B 540 43.633 13.682 -26.635 1.00 22.41 C ATOM 1607 CE3 TRP B 540 44.059 15.766 -27.778 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 43.570 14.320 -25.399 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 43.995 16.399 -26.551 1.00 24.52 C ATOM 1610 CH2 TRP B 540 43.753 15.675 -25.375 1.00 22.11 C ATOM 0 H TRP B 540 46.693 12.855 -30.044 1.00 64.23 H new ATOM 0 HA TRP B 540 44.221 11.743 -31.244 1.00 74.22 H new ATOM 0 HB2 TRP B 540 44.616 14.640 -30.463 1.00 74.04 H new ATOM 0 HB3 TRP B 540 43.120 13.808 -30.839 1.00 74.04 H new ATOM 0 HD1 TRP B 540 43.574 11.268 -28.843 1.00 11.20 H new ATOM 0 HE1 TRP B 540 43.307 11.604 -26.292 1.00 30.21 H new ATOM 0 HE3 TRP B 540 44.248 16.331 -28.679 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 43.383 13.765 -24.492 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 44.134 17.469 -26.497 1.00 24.52 H new ATOM 0 HH2 TRP B 540 43.710 16.198 -24.431 1.00 22.11 H new ATOM 1621 N SER B 541 44.834 12.560 -33.489 1.00 34.54 N ATOM 1622 CA SER B 541 45.233 12.959 -34.834 1.00 2.20 C ATOM 1623 C SER B 541 44.435 12.194 -35.886 1.00 32.22 C ATOM 1624 O SER B 541 44.596 10.986 -36.046 1.00 42.44 O ATOM 1625 CB SER B 541 46.730 12.717 -35.037 1.00 3.02 C ATOM 1626 OG SER B 541 47.065 12.721 -36.414 1.00 54.44 O ATOM 0 H SER B 541 44.111 11.842 -33.459 1.00 34.54 H new ATOM 0 HA SER B 541 45.025 14.023 -34.948 1.00 2.20 H new ATOM 0 HB2 SER B 541 47.300 13.488 -34.519 1.00 3.02 H new ATOM 0 HB3 SER B 541 47.010 11.761 -34.594 1.00 3.02 H new ATOM 0 HG SER B 541 48.027 12.566 -36.517 1.00 54.44 H new ATOM 1632 N GLY B 542 43.573 12.910 -36.602 1.00 4.53 N ATOM 1633 CA GLY B 542 42.762 12.284 -37.630 1.00 64.24 C ATOM 1634 C GLY B 542 41.437 11.778 -37.095 1.00 5.44 C ATOM 1635 O GLY B 542 40.393 11.975 -37.717 1.00 43.23 O ATOM 0 H GLY B 542 43.422 13.912 -36.488 1.00 4.53 H new ATOM 0 HA2 GLY B 542 42.577 13.001 -38.430 1.00 64.24 H new ATOM 0 HA3 GLY B 542 43.314 11.453 -38.068 1.00 64.24 H new ATOM 1639 N ASP B 543 41.479 11.123 -35.940 1.00 11.14 N ATOM 1640 CA ASP B 543 40.272 10.586 -35.322 1.00 52.52 C ATOM 1641 C ASP B 543 39.635 11.614 -34.391 1.00 13.13 C ATOM 1642 O ASP B 543 38.415 11.642 -34.223 1.00 20.02 O ATOM 1643 CB ASP B 543 40.595 9.308 -34.546 1.00 25.25 C ATOM 1644 CG ASP B 543 41.218 8.241 -35.424 1.00 14.33 C ATOM 1645 OD1 ASP B 543 40.549 7.795 -36.381 1.00 4.03 O ATOM 1646 OD2 ASP B 543 42.374 7.852 -35.156 1.00 51.20 O1- ATOM 0 H ASP B 543 42.335 10.951 -35.413 1.00 11.14 H new ATOM 0 HA ASP B 543 39.562 10.350 -36.115 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.276 9.545 -33.728 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.681 8.918 -34.097 1.00 25.25 H new ATOM 1651 N ASP B 544 40.468 12.455 -33.788 1.00 15.42 N ATOM 1652 CA ASP B 544 39.988 13.484 -32.873 1.00 51.14 C ATOM 1653 C ASP B 544 38.830 14.261 -33.490 1.00 4.23 C ATOM 1654 O ASP B 544 37.931 14.722 -32.786 1.00 2.42 O ATOM 1655 CB ASP B 544 41.123 14.441 -32.506 1.00 73.54 C ATOM 1656 CG ASP B 544 40.959 15.028 -31.118 1.00 21.23 C ATOM 1657 OD1 ASP B 544 41.846 15.795 -30.690 1.00 50.03 O ATOM 1658 OD2 ASP B 544 39.944 14.719 -30.459 1.00 63.43 O1- ATOM 0 H ASP B 544 41.480 12.444 -33.917 1.00 15.42 H new ATOM 0 HA ASP B 544 39.631 12.993 -31.968 1.00 51.14 H new ATOM 0 HB2 ASP B 544 42.074 13.911 -32.563 1.00 73.54 H new ATOM 0 HB3 ASP B 544 41.164 15.249 -33.237 1.00 73.54 H new ATOM 1663 N LYS B 545 38.856 14.404 -34.811 1.00 75.25 N ATOM 1664 CA LYS B 545 37.810 15.124 -35.525 1.00 24.24 C ATOM 1665 C LYS B 545 36.427 14.636 -35.103 1.00 33.21 C ATOM 1666 O LYS B 545 35.569 15.430 -34.717 1.00 50.14 O ATOM 1667 CB LYS B 545 37.983 14.954 -37.036 1.00 64.44 C ATOM 1668 CG LYS B 545 39.238 15.614 -37.582 1.00 54.23 C ATOM 1669 CD LYS B 545 38.985 17.065 -37.959 1.00 42.41 C ATOM 1670 CE LYS B 545 39.489 18.014 -36.883 1.00 62.41 C ATOM 1671 NZ LYS B 545 40.943 18.302 -37.033 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.592 14.029 -35.409 1.00 75.25 H new ATOM 0 HA LYS B 545 37.896 16.181 -35.273 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.009 13.890 -37.273 1.00 64.44 H new ATOM 0 HB3 LYS B 545 37.113 15.372 -37.542 1.00 64.44 H new ATOM 0 HG2 LYS B 545 40.031 15.564 -36.836 1.00 54.23 H new ATOM 0 HG3 LYS B 545 39.588 15.065 -38.456 1.00 54.23 H new ATOM 0 HD2 LYS B 545 39.480 17.288 -38.904 1.00 42.41 H new ATOM 0 HD3 LYS B 545 37.917 17.222 -38.113 1.00 42.41 H new ATOM 0 HE2 LYS B 545 38.927 18.947 -36.930 1.00 62.41 H new ATOM 0 HE3 LYS B 545 39.304 17.580 -35.900 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 41.248 18.952 -36.281 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 41.482 17.415 -36.963 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 41.116 18.740 -37.960 1.00 40.23 H new ATOM 1685 N LEU B 546 36.220 13.327 -35.177 1.00 71.42 N ATOM 1686 CA LEU B 546 34.942 12.732 -34.801 1.00 33.24 C ATOM 1687 C LEU B 546 34.938 12.335 -33.328 1.00 5.43 C ATOM 1688 O LEU B 546 33.892 12.328 -32.681 1.00 43.24 O ATOM 1689 CB LEU B 546 34.651 11.508 -35.671 1.00 40.40 C ATOM 1690 CG LEU B 546 35.640 10.348 -35.550 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.235 9.416 -34.419 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.732 9.586 -36.864 1.00 60.44 C ATOM 0 H LEU B 546 36.920 12.656 -35.494 1.00 71.42 H new ATOM 0 HA LEU B 546 34.162 13.477 -34.960 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.656 11.138 -35.422 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.621 11.827 -36.713 1.00 40.40 H new ATOM 0 HG LEU B 546 36.624 10.758 -35.321 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.951 8.597 -34.349 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.222 9.968 -33.479 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.242 9.014 -34.617 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.440 8.764 -36.759 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.751 9.188 -37.124 1.00 60.44 H new ATOM 0 HD23 LEU B 546 36.071 10.259 -37.652 1.00 60.44 H new ATOM 1704 N GLN B 547 36.116 12.009 -32.806 1.00 42.22 N ATOM 1705 CA GLN B 547 36.248 11.613 -31.409 1.00 10.14 C ATOM 1706 C GLN B 547 35.577 12.629 -30.490 1.00 64.45 C ATOM 1707 O GLN B 547 34.839 12.262 -29.574 1.00 15.25 O ATOM 1708 CB GLN B 547 37.724 11.466 -31.036 1.00 1.31 C ATOM 1709 CG GLN B 547 38.022 10.224 -30.210 1.00 14.25 C ATOM 1710 CD GLN B 547 39.378 10.284 -29.537 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.369 9.775 -30.063 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.432 10.906 -28.365 1.00 30.11 N ATOM 0 H GLN B 547 36.992 12.011 -33.329 1.00 42.22 H new ATOM 0 HA GLN B 547 35.751 10.651 -31.281 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.320 11.437 -31.948 1.00 1.31 H new ATOM 0 HB3 GLN B 547 38.039 12.348 -30.478 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.249 10.103 -29.451 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.978 9.345 -30.853 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.587 11.314 -27.965 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.318 10.976 -27.865 1.00 30.11 H new ATOM 1721 N LYS B 548 35.839 13.907 -30.739 1.00 13.42 N ATOM 1722 CA LYS B 548 35.262 14.978 -29.935 1.00 2.43 C ATOM 1723 C LYS B 548 33.749 14.817 -29.821 1.00 11.31 C ATOM 1724 O LYS B 548 33.193 14.848 -28.722 1.00 25.34 O ATOM 1725 CB LYS B 548 35.595 16.340 -30.547 1.00 44.51 C ATOM 1726 CG LYS B 548 35.261 16.441 -32.024 1.00 74.23 C ATOM 1727 CD LYS B 548 36.143 17.460 -32.727 1.00 50.13 C ATOM 1728 CE LYS B 548 35.976 18.848 -32.130 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.776 19.868 -32.864 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.448 14.227 -31.492 1.00 13.42 H new ATOM 0 HA LYS B 548 35.693 14.921 -28.936 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.051 17.115 -30.006 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.657 16.541 -30.409 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.385 15.465 -32.494 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.214 16.721 -32.143 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.186 17.153 -32.651 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.895 17.487 -33.788 1.00 50.13 H new ATOM 0 HE2 LYS B 548 34.923 19.128 -32.152 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.280 18.832 -31.083 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.635 20.801 -32.426 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.784 19.615 -32.822 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.469 19.902 -33.857 1.00 32.25 H new ATOM 1743 N TRP B 549 33.090 14.641 -30.961 1.00 35.00 N ATOM 1744 CA TRP B 549 31.641 14.474 -30.987 1.00 23.03 C ATOM 1745 C TRP B 549 31.220 13.251 -30.179 1.00 60.44 C ATOM 1746 O TRP B 549 30.498 13.368 -29.190 1.00 13.42 O ATOM 1747 CB TRP B 549 31.150 14.343 -32.429 1.00 1.00 C ATOM 1748 CG TRP B 549 31.502 15.520 -33.287 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.672 15.722 -33.961 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.677 16.659 -33.560 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.624 16.918 -34.637 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.412 17.511 -34.408 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.390 17.040 -33.172 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 30.900 18.720 -34.871 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 28.884 18.241 -33.633 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.637 19.068 -34.477 1.00 4.25 C ATOM 0 H TRP B 549 33.535 14.610 -31.878 1.00 35.00 H new ATOM 0 HA TRP B 549 31.189 15.357 -30.535 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.576 13.441 -32.869 1.00 1.00 H new ATOM 0 HB3 TRP B 549 30.067 14.216 -32.426 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.511 15.042 -33.963 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.371 17.302 -35.216 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.801 16.408 -32.524 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.480 19.361 -35.519 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 27.891 18.547 -33.338 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.212 19.998 -34.823 1.00 4.25 H new ATOM 1767 N VAL B 550 31.675 12.078 -30.609 1.00 65.43 N ATOM 1768 CA VAL B 550 31.346 10.834 -29.924 1.00 41.32 C ATOM 1769 C VAL B 550 31.642 10.932 -28.432 1.00 70.33 C ATOM 1770 O VAL B 550 30.774 10.675 -27.598 1.00 22.45 O ATOM 1771 CB VAL B 550 32.129 9.645 -30.514 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.732 8.349 -29.823 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.899 9.550 -32.015 1.00 22.45 C ATOM 0 H VAL B 550 32.272 11.964 -31.428 1.00 65.43 H new ATOM 0 HA VAL B 550 30.279 10.666 -30.069 1.00 41.32 H new ATOM 0 HB VAL B 550 33.192 9.810 -30.341 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.295 7.520 -30.253 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.951 8.423 -28.758 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.665 8.174 -29.963 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.459 8.705 -32.416 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.836 9.407 -32.212 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.237 10.469 -32.494 1.00 22.45 H new ATOM 1783 N ARG B 551 32.875 11.306 -28.102 1.00 22.31 N ATOM 1784 CA ARG B 551 33.286 11.439 -26.710 1.00 13.54 C ATOM 1785 C ARG B 551 32.248 12.219 -25.908 1.00 30.45 C ATOM 1786 O ARG B 551 31.904 11.844 -24.787 1.00 43.25 O ATOM 1787 CB ARG B 551 34.645 12.136 -26.621 1.00 20.34 C ATOM 1788 CG ARG B 551 35.374 11.885 -25.311 1.00 75.53 C ATOM 1789 CD ARG B 551 35.022 12.935 -24.268 1.00 51.12 C ATOM 1790 NE ARG B 551 35.699 12.693 -22.998 1.00 55.05 N ATOM 1791 CZ ARG B 551 36.992 12.923 -22.798 1.00 23.44 C ATOM 1792 NH1 ARG B 551 37.743 13.398 -23.782 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 37.536 12.677 -21.613 1.00 20.42 N ATOM 0 H ARG B 551 33.606 11.522 -28.780 1.00 22.31 H new ATOM 0 HA ARG B 551 33.370 10.439 -26.286 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.272 11.798 -27.446 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.502 13.209 -26.748 1.00 20.34 H new ATOM 0 HG2 ARG B 551 35.117 10.895 -24.934 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.450 11.890 -25.485 1.00 75.53 H new ATOM 0 HD2 ARG B 551 35.294 13.922 -24.641 1.00 51.12 H new ATOM 0 HD3 ARG B 551 33.944 12.940 -24.109 1.00 51.12 H new ATOM 0 HE ARG B 551 35.149 12.327 -22.221 1.00 55.05 H new ATOM 0 HH11 ARG B 551 37.328 13.587 -24.694 1.00 74.33 H new ATOM 0 HH12 ARG B 551 38.736 13.574 -23.627 1.00 74.33 H new ATOM 0 HH21 ARG B 551 36.961 12.311 -20.854 1.00 20.42 H new ATOM 0 HH22 ARG B 551 38.529 12.854 -21.461 1.00 20.42 H new ATOM 1807 N VAL B 552 31.756 13.308 -26.490 1.00 73.21 N ATOM 1808 CA VAL B 552 30.758 14.142 -25.830 1.00 53.54 C ATOM 1809 C VAL B 552 29.424 13.414 -25.713 1.00 31.11 C ATOM 1810 O VAL B 552 28.704 13.570 -24.728 1.00 31.43 O ATOM 1811 CB VAL B 552 30.543 15.466 -26.588 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.431 16.277 -25.941 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.837 16.265 -26.640 1.00 14.55 C ATOM 0 H VAL B 552 32.032 13.633 -27.417 1.00 73.21 H new ATOM 0 HA VAL B 552 31.138 14.361 -24.832 1.00 53.54 H new ATOM 0 HB VAL B 552 30.244 15.236 -27.610 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.293 17.209 -26.490 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.504 15.704 -25.961 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.697 16.501 -24.908 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.668 17.197 -27.179 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.168 16.487 -25.626 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.603 15.684 -27.153 1.00 14.55 H new ATOM 1823 N TYR B 553 29.101 12.618 -26.726 1.00 3.04 N ATOM 1824 CA TYR B 553 27.851 11.866 -26.740 1.00 51.43 C ATOM 1825 C TYR B 553 27.770 10.924 -25.543 1.00 23.41 C ATOM 1826 O TYR B 553 26.733 10.821 -24.886 1.00 65.22 O ATOM 1827 CB TYR B 553 27.724 11.070 -28.039 1.00 50.50 C ATOM 1828 CG TYR B 553 27.411 9.606 -27.824 1.00 4.03 C ATOM 1829 CD1 TYR B 553 26.128 9.192 -27.489 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.399 8.638 -27.955 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.838 7.856 -27.291 1.00 21.35 C ATOM 1832 CE2 TYR B 553 28.118 7.300 -27.761 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.836 6.913 -27.428 1.00 52.22 C ATOM 1834 OH TYR B 553 26.552 5.582 -27.232 1.00 2.33 O ATOM 0 H TYR B 553 29.687 12.476 -27.549 1.00 3.04 H new ATOM 0 HA TYR B 553 27.028 12.577 -26.677 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.940 11.514 -28.652 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.655 11.155 -28.600 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.344 9.927 -27.382 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.404 8.937 -28.213 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.835 7.551 -27.030 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.897 6.560 -27.869 1.00 34.42 H new ATOM 0 HH TYR B 553 25.591 5.431 -27.352 1.00 2.33 H new ATOM 1844 N LEU B 554 28.873 10.237 -25.263 1.00 55.44 N ATOM 1845 CA LEU B 554 28.929 9.302 -24.144 1.00 42.23 C ATOM 1846 C LEU B 554 29.274 10.027 -22.847 1.00 53.42 C ATOM 1847 O LEU B 554 28.912 9.578 -21.759 1.00 74.44 O ATOM 1848 CB LEU B 554 29.961 8.207 -24.421 1.00 44.44 C ATOM 1849 CG LEU B 554 31.352 8.686 -24.838 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.333 8.542 -23.686 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.838 7.912 -26.055 1.00 32.42 C ATOM 0 H LEU B 554 29.740 10.310 -25.795 1.00 55.44 H new ATOM 0 HA LEU B 554 27.946 8.845 -24.033 1.00 42.23 H new ATOM 0 HB2 LEU B 554 30.063 7.596 -23.524 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.571 7.559 -25.206 1.00 44.44 H new ATOM 0 HG LEU B 554 31.289 9.741 -25.104 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.318 8.888 -24.001 1.00 24.32 H new ATOM 0 HD12 LEU B 554 31.992 9.140 -22.841 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.394 7.495 -23.389 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.829 8.265 -26.339 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.886 6.850 -25.815 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.147 8.066 -26.884 1.00 32.42 H new ATOM 1863 N ASP B 555 29.975 11.148 -22.970 1.00 73.25 N ATOM 1864 CA ASP B 555 30.366 11.937 -21.807 1.00 31.31 C ATOM 1865 C ASP B 555 29.167 12.679 -21.226 1.00 23.23 C ATOM 1866 O ASP B 555 29.077 12.881 -20.015 1.00 34.14 O ATOM 1867 CB ASP B 555 31.464 12.932 -22.185 1.00 72.13 C ATOM 1868 CG ASP B 555 31.941 13.746 -20.999 1.00 53.31 C ATOM 1869 OD1 ASP B 555 32.604 13.169 -20.112 1.00 34.15 O ATOM 1870 OD2 ASP B 555 31.651 14.960 -20.957 1.00 21.01 O1- ATOM 0 H ASP B 555 30.284 11.531 -23.863 1.00 73.25 H new ATOM 0 HA ASP B 555 30.750 11.255 -21.048 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.308 12.392 -22.614 1.00 72.13 H new ATOM 0 HB3 ASP B 555 31.091 13.605 -22.957 1.00 72.13 H new ATOM 1875 N ARG B 556 28.250 13.086 -22.098 1.00 10.54 N ATOM 1876 CA ARG B 556 27.058 13.809 -21.671 1.00 54.44 C ATOM 1877 C ARG B 556 25.990 12.845 -21.163 1.00 72.41 C ATOM 1878 O ARG B 556 25.209 13.179 -20.273 1.00 3.24 O ATOM 1879 CB ARG B 556 26.500 14.642 -22.826 1.00 35.13 C ATOM 1880 CG ARG B 556 26.029 13.809 -24.007 1.00 22.30 C ATOM 1881 CD ARG B 556 24.539 13.518 -23.923 1.00 71.10 C ATOM 1882 NE ARG B 556 24.180 12.295 -24.634 1.00 44.32 N ATOM 1883 CZ ARG B 556 22.983 12.080 -25.169 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.034 13.002 -25.075 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.732 10.940 -25.801 1.00 21.52 N ATOM 0 H ARG B 556 28.310 12.927 -23.104 1.00 10.54 H new ATOM 0 HA ARG B 556 27.340 14.474 -20.855 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.667 15.242 -22.460 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.268 15.337 -23.166 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.246 14.337 -24.936 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.583 12.871 -24.036 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.245 13.429 -22.877 1.00 71.10 H new ATOM 0 HD3 ARG B 556 23.982 14.357 -24.340 1.00 71.10 H new ATOM 0 HE ARG B 556 24.887 11.565 -24.725 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.222 13.880 -24.591 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.116 12.833 -25.487 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.458 10.228 -25.876 1.00 21.52 H new ATOM 0 HH22 ARG B 556 21.813 10.776 -26.211 1.00 21.52 H new ATOM 1899 N GLY B 557 25.961 11.646 -21.737 1.00 54.40 N ATOM 1900 CA GLY B 557 24.985 10.652 -21.331 1.00 51.20 C ATOM 1901 C GLY B 557 25.104 10.287 -19.865 1.00 73.35 C ATOM 1902 O GLY B 557 24.343 10.780 -19.032 1.00 64.24 O ATOM 0 H GLY B 557 26.596 11.345 -22.476 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.982 11.031 -21.528 1.00 51.20 H new ATOM 0 HA3 GLY B 557 25.111 9.755 -21.937 1.00 51.20 H new ATOM 1906 N GLN B 558 26.060 9.420 -19.548 1.00 30.44 N ATOM 1907 CA GLN B 558 26.274 8.988 -18.172 1.00 71.33 C ATOM 1908 C GLN B 558 27.749 9.084 -17.794 1.00 54.22 C ATOM 1909 O GLN B 558 28.099 9.662 -16.767 1.00 65.12 O ATOM 1910 CB GLN B 558 25.780 7.553 -17.982 1.00 32.20 C ATOM 1911 CG GLN B 558 26.238 6.602 -19.075 1.00 10.50 C ATOM 1912 CD GLN B 558 25.551 5.252 -19.002 1.00 44.43 C ATOM 1913 OE1 GLN B 558 26.206 4.210 -18.995 1.00 32.15 O ATOM 1914 NE2 GLN B 558 24.225 5.266 -18.944 1.00 2.10 N ATOM 0 H GLN B 558 26.699 9.003 -20.225 1.00 30.44 H new ATOM 0 HA GLN B 558 25.706 9.650 -17.518 1.00 71.33 H new ATOM 0 HB2 GLN B 558 26.130 7.182 -17.019 1.00 32.20 H new ATOM 0 HB3 GLN B 558 24.691 7.554 -17.946 1.00 32.20 H new ATOM 0 HG2 GLN B 558 26.043 7.052 -20.048 1.00 10.50 H new ATOM 0 HG3 GLN B 558 27.316 6.461 -19.000 1.00 10.50 H new ATOM 0 HE21 GLN B 558 23.723 6.154 -18.952 1.00 2.10 H new ATOM 0 HE22 GLN B 558 23.708 4.389 -18.891 1.00 2.10 H new ATOM 1923 N GLU B 559 28.608 8.512 -18.633 1.00 54.14 N ATOM 1924 CA GLU B 559 30.045 8.533 -18.385 1.00 64.14 C ATOM 1925 C GLU B 559 30.808 7.922 -19.557 1.00 45.44 C ATOM 1926 O GLU B 559 30.236 7.660 -20.614 1.00 54.24 O ATOM 1927 CB GLU B 559 30.373 7.776 -17.097 1.00 42.30 C ATOM 1928 CG GLU B 559 30.138 6.278 -17.195 1.00 15.30 C ATOM 1929 CD GLU B 559 30.667 5.523 -15.991 1.00 15.40 C ATOM 1930 OE1 GLU B 559 31.803 5.812 -15.561 1.00 24.20 O ATOM 1931 OE2 GLU B 559 29.943 4.644 -15.477 1.00 61.43 O1- ATOM 0 H GLU B 559 28.334 8.029 -19.489 1.00 54.14 H new ATOM 0 HA GLU B 559 30.355 9.572 -18.275 1.00 64.14 H new ATOM 0 HB2 GLU B 559 31.416 7.955 -16.836 1.00 42.30 H new ATOM 0 HB3 GLU B 559 29.767 8.178 -16.285 1.00 42.30 H new ATOM 0 HG2 GLU B 559 29.070 6.088 -17.297 1.00 15.30 H new ATOM 0 HG3 GLU B 559 30.617 5.897 -18.097 1.00 15.30 H new ATOM 1938 N ALA B 560 32.103 7.698 -19.359 1.00 3.04 N ATOM 1939 CA ALA B 560 32.944 7.117 -20.398 1.00 50.04 C ATOM 1940 C ALA B 560 32.498 5.699 -20.736 1.00 31.25 C ATOM 1941 O ALA B 560 31.754 5.075 -19.979 1.00 10.24 O ATOM 1942 CB ALA B 560 34.402 7.125 -19.962 1.00 41.05 C ATOM 0 H ALA B 560 32.592 7.910 -18.489 1.00 3.04 H new ATOM 0 HA ALA B 560 32.842 7.725 -21.297 1.00 50.04 H new ATOM 0 HB1 ALA B 560 35.019 6.688 -20.747 1.00 41.05 H new ATOM 0 HB2 ALA B 560 34.721 8.151 -19.778 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.512 6.542 -19.048 1.00 41.05 H new ATOM 1948 N ILE B 561 32.958 5.196 -21.877 1.00 73.03 N ATOM 1949 CA ILE B 561 32.606 3.850 -22.314 1.00 2.23 C ATOM 1950 C ILE B 561 33.690 3.262 -23.210 1.00 30.44 C ATOM 1951 O ILE B 561 34.155 3.909 -24.148 1.00 42.35 O ATOM 1952 CB ILE B 561 31.266 3.837 -23.073 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.235 4.954 -24.117 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.105 3.983 -22.100 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.129 4.798 -25.137 1.00 63.22 C ATOM 0 H ILE B 561 33.574 5.699 -22.515 1.00 73.03 H new ATOM 0 HA ILE B 561 32.511 3.241 -21.415 1.00 2.23 H new ATOM 0 HB ILE B 561 31.166 2.881 -23.588 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.117 5.911 -23.609 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.194 4.983 -24.635 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.165 3.972 -22.651 1.00 51.43 H new ATOM 0 HG22 ILE B 561 30.119 3.156 -21.390 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.199 4.926 -21.561 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.168 5.626 -25.845 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.257 3.857 -25.671 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.164 4.799 -24.630 1.00 63.22 H new ATOM 1967 N LYS B 562 34.089 2.029 -22.916 1.00 34.53 N ATOM 1968 CA LYS B 562 35.118 1.351 -23.696 1.00 5.33 C ATOM 1969 C LYS B 562 34.634 -0.022 -24.157 1.00 3.44 C ATOM 1970 O LYS B 562 35.260 -0.660 -25.002 1.00 74.43 O ATOM 1971 CB LYS B 562 36.397 1.201 -22.870 1.00 55.54 C ATOM 1972 CG LYS B 562 37.235 2.466 -22.814 1.00 23.25 C ATOM 1973 CD LYS B 562 38.670 2.168 -22.413 1.00 61.12 C ATOM 1974 CE LYS B 562 39.466 1.594 -23.575 1.00 62.12 C ATOM 1975 NZ LYS B 562 39.767 2.628 -24.605 1.00 35.51 N1+ ATOM 0 H LYS B 562 33.715 1.479 -22.143 1.00 34.53 H new ATOM 0 HA LYS B 562 35.330 1.957 -24.576 1.00 5.33 H new ATOM 0 HB2 LYS B 562 36.132 0.905 -21.855 1.00 55.54 H new ATOM 0 HB3 LYS B 562 36.998 0.395 -23.290 1.00 55.54 H new ATOM 0 HG2 LYS B 562 37.223 2.955 -23.788 1.00 23.25 H new ATOM 0 HG3 LYS B 562 36.795 3.164 -22.102 1.00 23.25 H new ATOM 0 HD2 LYS B 562 39.147 3.082 -22.060 1.00 61.12 H new ATOM 0 HD3 LYS B 562 38.678 1.463 -21.582 1.00 61.12 H new ATOM 0 HE2 LYS B 562 40.399 1.170 -23.202 1.00 62.12 H new ATOM 0 HE3 LYS B 562 38.905 0.779 -24.032 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 40.499 2.271 -25.252 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 38.904 2.843 -25.143 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 40.109 3.493 -24.139 1.00 35.51 H new TER 1989 LYS B 562