USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1044 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 71 THR OG1 : rot 148:sc= -8.56! USER MOD Set 1.2: A 144 SER OG : rot 180:sc= -1.09 USER MOD Set 2.1: A 78 MET CE :methyl -132:sc= -8.59! (180deg=-11!) USER MOD Set 2.2: A 135 LYS NZ :NH3+ -136:sc= -6.77! (180deg=-6.28!) USER MOD Set 3.1: A 69 SER OG : rot -68:sc= 1.01 USER MOD Set 3.2: A 147 SER OG : rot -82:sc= -0.0913 USER MOD Single : A 1 ALA N :NH3+ -139:sc= 0.00621 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= -0.992! USER MOD Single : A 5 SER OG : rot 65:sc= 0.775 USER MOD Single : A 12 HIS : no HE2:sc= -4.51! C(o=-4.5!,f=-4.5!) USER MOD Single : A 13 THR OG1 : rot -70:sc= -3.46! USER MOD Single : A 14 SER OG : rot 9:sc= 0.574 USER MOD Single : A 18 SER OG : rot 57:sc= 1.08 USER MOD Single : A 23 SER OG : rot 29:sc= 0.252 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 117:sc= -0.0555! USER MOD Single : A 28 SER OG : rot -146:sc= 0.335 USER MOD Single : A 37 MET CE :methyl 140:sc= -0.119 (180deg=-1.62) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 47 ASN : amide:sc= -5.15! C(o=-5.2!,f=-14!) USER MOD Single : A 55 TYR OH : rot 0:sc= -6.39! USER MOD Single : A 56 ASN : amide:sc= -8.11! C(o=-8.1!,f=-6.9!) USER MOD Single : A 65 SER OG : rot 146:sc= -3.19! USER MOD Single : A 66 TYR OH : rot 74:sc= 0.368 USER MOD Single : A 73 SER OG : rot -6:sc= -1.18! USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -160:sc= -1.27! USER MOD Single : A 97 GLN : amide:sc= -0.075 K(o=-0.075,f=-2.1!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.739! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0593 USER MOD Single : A 111 TYR OH : rot 0:sc= -1.41 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 115 SER OG : rot -5:sc= -13.8! USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0186 USER MOD Single : A 128 GLN : amide:sc= -11.6! C(o=-12!,f=-15!) USER MOD Single : A 132 HIS : no HD1:sc= -2.18 X(o=-2.2,f=-2.7!) USER MOD Single : A 139 TYR OH : rot -169:sc= -1.82 USER MOD Single : A 145 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.9!) USER MOD Single : A 149 THR OG1 : rot -110:sc= -0.872! USER MOD Single : A 150 THR OG1 : rot 66:sc= 0.818 USER MOD Single : A 151 SER OG : rot 128:sc= 0.299! USER MOD Single : A 153 THR OG1 : rot -138:sc= 0.0061 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.163 -16.046 -5.200 1.00 5.47 N ATOM 2 CA ALA A 1 -20.509 -14.833 -4.633 1.00 4.62 C ATOM 3 C ALA A 1 -20.627 -13.677 -5.628 1.00 3.84 C ATOM 4 O ALA A 1 -21.671 -13.447 -6.205 1.00 3.81 O ATOM 5 CB ALA A 1 -19.032 -15.128 -4.367 1.00 4.96 C ATOM 0 H1 ALA A 1 -21.697 -16.534 -4.453 1.00 5.47 H new ATOM 0 H2 ALA A 1 -21.812 -15.766 -5.963 1.00 5.47 H new ATOM 0 H3 ALA A 1 -20.437 -16.686 -5.580 1.00 5.47 H new ATOM 0 HA ALA A 1 -20.999 -14.559 -3.699 1.00 4.62 H new ATOM 0 HB1 ALA A 1 -18.553 -14.241 -3.952 1.00 4.96 H new ATOM 0 HB2 ALA A 1 -18.947 -15.951 -3.658 1.00 4.96 H new ATOM 0 HB3 ALA A 1 -18.542 -15.402 -5.301 1.00 4.96 H new ATOM 13 N SER A 2 -19.566 -12.947 -5.833 1.00 3.69 N ATOM 14 CA SER A 2 -19.618 -11.806 -6.791 1.00 3.44 C ATOM 15 C SER A 2 -19.306 -12.310 -8.201 1.00 3.37 C ATOM 16 O SER A 2 -20.192 -12.521 -9.006 1.00 3.78 O ATOM 17 CB SER A 2 -18.588 -10.752 -6.386 1.00 3.58 C ATOM 18 OG SER A 2 -17.710 -10.510 -7.477 1.00 4.53 O ATOM 0 H SER A 2 -18.664 -13.091 -5.378 1.00 3.69 H new ATOM 0 HA SER A 2 -20.614 -11.364 -6.775 1.00 3.44 H new ATOM 0 HB2 SER A 2 -19.090 -9.829 -6.097 1.00 3.58 H new ATOM 0 HB3 SER A 2 -18.023 -11.093 -5.518 1.00 3.58 H new ATOM 0 HG SER A 2 -17.154 -9.727 -7.282 1.00 4.53 H new ATOM 24 N LEU A 3 -18.052 -12.506 -8.509 1.00 3.17 N ATOM 25 CA LEU A 3 -17.687 -12.996 -9.867 1.00 3.67 C ATOM 26 C LEU A 3 -16.499 -13.955 -9.761 1.00 3.58 C ATOM 27 O LEU A 3 -15.741 -13.917 -8.812 1.00 3.18 O ATOM 28 CB LEU A 3 -17.306 -11.807 -10.752 1.00 4.18 C ATOM 29 CG LEU A 3 -18.449 -11.507 -11.723 1.00 4.41 C ATOM 30 CD1 LEU A 3 -18.299 -10.084 -12.265 1.00 4.28 C ATOM 31 CD2 LEU A 3 -18.405 -12.500 -12.886 1.00 5.14 C ATOM 0 H LEU A 3 -17.266 -12.348 -7.879 1.00 3.17 H new ATOM 0 HA LEU A 3 -18.537 -13.518 -10.306 1.00 3.67 H new ATOM 0 HB2 LEU A 3 -17.100 -10.932 -10.135 1.00 4.18 H new ATOM 0 HB3 LEU A 3 -16.394 -12.029 -11.305 1.00 4.18 H new ATOM 0 HG LEU A 3 -19.401 -11.599 -11.201 1.00 4.41 H new ATOM 0 HD11 LEU A 3 -19.114 -9.870 -12.957 1.00 4.28 H new ATOM 0 HD12 LEU A 3 -18.330 -9.375 -11.438 1.00 4.28 H new ATOM 0 HD13 LEU A 3 -17.346 -9.992 -12.787 1.00 4.28 H new ATOM 0 HD21 LEU A 3 -19.220 -12.286 -13.578 1.00 5.14 H new ATOM 0 HD22 LEU A 3 -17.452 -12.408 -13.407 1.00 5.14 H new ATOM 0 HD23 LEU A 3 -18.512 -13.515 -12.502 1.00 5.14 H new ATOM 43 N ASP A 4 -16.330 -14.814 -10.729 1.00 4.10 N ATOM 44 CA ASP A 4 -15.191 -15.774 -10.683 1.00 4.15 C ATOM 45 C ASP A 4 -13.995 -15.182 -11.433 1.00 4.06 C ATOM 46 O ASP A 4 -13.948 -14.001 -11.711 1.00 4.24 O ATOM 47 CB ASP A 4 -15.607 -17.090 -11.342 1.00 4.43 C ATOM 48 CG ASP A 4 -16.932 -17.564 -10.744 1.00 4.67 C ATOM 49 OD1 ASP A 4 -17.153 -17.317 -9.570 1.00 5.38 O ATOM 50 OD2 ASP A 4 -17.705 -18.168 -11.470 1.00 4.56 O ATOM 0 H ASP A 4 -16.931 -14.892 -11.549 1.00 4.10 H new ATOM 0 HA ASP A 4 -14.913 -15.960 -9.646 1.00 4.15 H new ATOM 0 HB2 ASP A 4 -15.710 -16.953 -12.418 1.00 4.43 H new ATOM 0 HB3 ASP A 4 -14.836 -17.845 -11.189 1.00 4.43 H new ATOM 55 N SER A 5 -13.029 -15.995 -11.761 1.00 4.08 N ATOM 56 CA SER A 5 -11.838 -15.479 -12.492 1.00 4.12 C ATOM 57 C SER A 5 -11.503 -14.071 -11.992 1.00 3.56 C ATOM 58 O SER A 5 -11.078 -13.220 -12.746 1.00 3.58 O ATOM 59 CB SER A 5 -12.140 -15.430 -13.990 1.00 4.48 C ATOM 60 OG SER A 5 -12.343 -14.080 -14.384 1.00 4.83 O ATOM 0 H SER A 5 -13.013 -16.994 -11.554 1.00 4.08 H new ATOM 0 HA SER A 5 -10.989 -16.139 -12.315 1.00 4.12 H new ATOM 0 HB2 SER A 5 -11.315 -15.865 -14.554 1.00 4.48 H new ATOM 0 HB3 SER A 5 -13.027 -16.023 -14.214 1.00 4.48 H new ATOM 0 HG SER A 5 -11.508 -13.578 -14.276 1.00 4.83 H new ATOM 66 N GLU A 6 -11.693 -13.823 -10.725 1.00 3.17 N ATOM 67 CA GLU A 6 -11.387 -12.470 -10.178 1.00 2.69 C ATOM 68 C GLU A 6 -12.064 -11.405 -11.043 1.00 2.55 C ATOM 69 O GLU A 6 -12.557 -11.685 -12.117 1.00 2.92 O ATOM 70 CB GLU A 6 -9.874 -12.246 -10.186 1.00 2.41 C ATOM 71 CG GLU A 6 -9.224 -13.098 -9.094 1.00 2.59 C ATOM 72 CD GLU A 6 -8.456 -14.254 -9.736 1.00 2.91 C ATOM 73 OE1 GLU A 6 -9.059 -14.986 -10.503 1.00 3.43 O ATOM 74 OE2 GLU A 6 -7.278 -14.389 -9.450 1.00 2.94 O ATOM 0 H GLU A 6 -12.046 -14.497 -10.046 1.00 3.17 H new ATOM 0 HA GLU A 6 -11.759 -12.399 -9.156 1.00 2.69 H new ATOM 0 HB2 GLU A 6 -9.462 -12.509 -11.160 1.00 2.41 H new ATOM 0 HB3 GLU A 6 -9.651 -11.192 -10.020 1.00 2.41 H new ATOM 0 HG2 GLU A 6 -8.548 -12.487 -8.495 1.00 2.59 H new ATOM 0 HG3 GLU A 6 -9.987 -13.485 -8.418 1.00 2.59 H new ATOM 81 N VAL A 7 -12.091 -10.185 -10.582 1.00 2.11 N ATOM 82 CA VAL A 7 -12.735 -9.102 -11.377 1.00 2.12 C ATOM 83 C VAL A 7 -11.653 -8.258 -12.055 1.00 2.11 C ATOM 84 O VAL A 7 -10.549 -8.712 -12.279 1.00 2.83 O ATOM 85 CB VAL A 7 -13.568 -8.215 -10.449 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.782 -7.679 -11.209 1.00 2.17 C ATOM 87 CG2 VAL A 7 -14.042 -9.040 -9.250 1.00 2.42 C ATOM 0 H VAL A 7 -11.695 -9.891 -9.689 1.00 2.11 H new ATOM 0 HA VAL A 7 -13.382 -9.542 -12.136 1.00 2.12 H new ATOM 0 HB VAL A 7 -12.960 -7.380 -10.101 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -15.375 -7.047 -10.548 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -14.446 -7.094 -12.065 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -15.391 -8.513 -11.556 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -14.636 -8.411 -8.587 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -14.651 -9.874 -9.600 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -13.178 -9.424 -8.708 1.00 2.42 H new ATOM 97 N GLU A 8 -11.960 -7.034 -12.386 1.00 1.96 N ATOM 98 CA GLU A 8 -10.947 -6.166 -13.048 1.00 2.32 C ATOM 99 C GLU A 8 -11.514 -4.757 -13.224 1.00 2.30 C ATOM 100 O GLU A 8 -12.071 -4.425 -14.252 1.00 2.59 O ATOM 101 CB GLU A 8 -10.597 -6.749 -14.420 1.00 3.06 C ATOM 102 CG GLU A 8 -9.076 -6.779 -14.589 1.00 3.55 C ATOM 103 CD GLU A 8 -8.727 -7.298 -15.985 1.00 4.20 C ATOM 104 OE1 GLU A 8 -9.572 -7.943 -16.584 1.00 4.42 O ATOM 105 OE2 GLU A 8 -7.621 -7.042 -16.430 1.00 4.75 O ATOM 0 H GLU A 8 -12.868 -6.598 -12.227 1.00 1.96 H new ATOM 0 HA GLU A 8 -10.050 -6.120 -12.430 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -11.004 -7.756 -14.514 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -11.049 -6.148 -15.209 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -8.664 -5.780 -14.448 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -8.628 -7.419 -13.829 1.00 3.55 H new ATOM 112 N LEU A 9 -11.377 -3.924 -12.229 1.00 2.76 N ATOM 113 CA LEU A 9 -11.906 -2.537 -12.340 1.00 3.48 C ATOM 114 C LEU A 9 -10.880 -1.657 -13.056 1.00 3.43 C ATOM 115 O LEU A 9 -11.199 -0.598 -13.559 1.00 4.12 O ATOM 116 CB LEU A 9 -12.168 -1.978 -10.939 1.00 3.72 C ATOM 117 CG LEU A 9 -13.601 -2.308 -10.517 1.00 4.22 C ATOM 118 CD1 LEU A 9 -13.677 -2.396 -8.992 1.00 4.95 C ATOM 119 CD2 LEU A 9 -14.542 -1.207 -11.010 1.00 3.49 C ATOM 0 H LEU A 9 -10.921 -4.145 -11.344 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.836 -2.546 -12.908 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -11.461 -2.405 -10.228 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -12.015 -0.899 -10.932 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.897 -3.263 -10.951 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -14.698 -2.631 -8.692 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -13.005 -3.179 -8.639 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -13.382 -1.441 -8.557 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -15.564 -1.440 -10.710 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -14.245 -0.253 -10.575 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -14.489 -1.142 -12.097 1.00 3.49 H new ATOM 131 N LEU A 10 -9.650 -2.089 -13.107 1.00 2.81 N ATOM 132 CA LEU A 10 -8.602 -1.281 -13.792 1.00 2.72 C ATOM 133 C LEU A 10 -7.841 -2.185 -14.767 1.00 2.86 C ATOM 134 O LEU A 10 -6.826 -2.765 -14.434 1.00 2.83 O ATOM 135 CB LEU A 10 -7.653 -0.701 -12.735 1.00 2.41 C ATOM 136 CG LEU A 10 -6.586 0.196 -13.373 1.00 2.12 C ATOM 137 CD1 LEU A 10 -5.435 -0.651 -13.911 1.00 1.99 C ATOM 138 CD2 LEU A 10 -7.189 1.017 -14.517 1.00 2.07 C ATOM 0 H LEU A 10 -9.325 -2.968 -12.703 1.00 2.81 H new ATOM 0 HA LEU A 10 -9.051 -0.459 -14.350 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -8.225 -0.127 -12.006 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -7.170 -1.514 -12.192 1.00 2.41 H new ATOM 0 HG LEU A 10 -6.209 0.873 -12.607 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.685 -0.001 -14.361 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -4.984 -1.214 -13.093 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -5.813 -1.344 -14.663 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -6.417 1.648 -14.958 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -7.586 0.345 -15.277 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -7.993 1.644 -14.131 1.00 2.07 H new ATOM 150 N PRO A 11 -8.355 -2.316 -15.960 1.00 3.10 N ATOM 151 CA PRO A 11 -7.754 -3.178 -17.024 1.00 3.32 C ATOM 152 C PRO A 11 -6.278 -2.874 -17.295 1.00 2.96 C ATOM 153 O PRO A 11 -5.840 -2.864 -18.428 1.00 3.09 O ATOM 154 CB PRO A 11 -8.590 -2.868 -18.268 1.00 3.83 C ATOM 155 CG PRO A 11 -9.885 -2.328 -17.760 1.00 3.73 C ATOM 156 CD PRO A 11 -9.580 -1.648 -16.426 1.00 3.29 C ATOM 0 HA PRO A 11 -7.771 -4.226 -16.726 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -8.087 -2.142 -18.907 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.748 -3.765 -18.867 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -10.313 -1.618 -18.468 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -10.614 -3.128 -17.630 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -9.428 -0.576 -16.550 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -10.398 -1.774 -15.717 1.00 3.29 H new ATOM 164 N HIS A 12 -5.500 -2.638 -16.274 1.00 2.52 N ATOM 165 CA HIS A 12 -4.053 -2.352 -16.502 1.00 2.16 C ATOM 166 C HIS A 12 -3.249 -2.783 -15.275 1.00 1.83 C ATOM 167 O HIS A 12 -3.354 -2.201 -14.214 1.00 1.69 O ATOM 168 CB HIS A 12 -3.845 -0.856 -16.751 1.00 2.13 C ATOM 169 CG HIS A 12 -2.622 -0.657 -17.604 1.00 1.93 C ATOM 170 ND1 HIS A 12 -2.533 -1.147 -18.897 1.00 1.98 N ATOM 171 CD2 HIS A 12 -1.429 -0.023 -17.358 1.00 1.81 C ATOM 172 CE1 HIS A 12 -1.324 -0.803 -19.378 1.00 1.94 C ATOM 173 NE2 HIS A 12 -0.611 -0.117 -18.481 1.00 1.82 N ATOM 0 H HIS A 12 -5.799 -2.630 -15.299 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.714 -2.908 -17.376 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.720 -0.433 -17.246 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.730 -0.331 -15.803 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -3.252 -1.673 -19.394 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -1.166 0.472 -16.435 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -0.973 -1.051 -20.369 1.00 1.94 H new ATOM 181 N THR A 13 -2.447 -3.802 -15.412 1.00 1.82 N ATOM 182 CA THR A 13 -1.635 -4.273 -14.256 1.00 1.56 C ATOM 183 C THR A 13 -0.455 -5.103 -14.765 1.00 1.39 C ATOM 184 O THR A 13 -0.367 -6.289 -14.520 1.00 1.58 O ATOM 185 CB THR A 13 -2.508 -5.135 -13.341 1.00 1.72 C ATOM 186 OG1 THR A 13 -1.678 -5.872 -12.455 1.00 1.59 O ATOM 187 CG2 THR A 13 -3.339 -6.101 -14.187 1.00 1.97 C ATOM 0 H THR A 13 -2.319 -4.329 -16.276 1.00 1.82 H new ATOM 0 HA THR A 13 -1.260 -3.414 -13.700 1.00 1.56 H new ATOM 0 HB THR A 13 -3.176 -4.494 -12.765 1.00 1.72 H new ATOM 0 HG1 THR A 13 -1.192 -6.559 -12.957 1.00 1.59 H new ATOM 0 HG21 THR A 13 -3.960 -6.714 -13.534 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.976 -5.534 -14.866 1.00 1.97 H new ATOM 0 HG23 THR A 13 -2.674 -6.744 -14.764 1.00 1.97 H new ATOM 195 N SER A 14 0.453 -4.488 -15.473 1.00 1.20 N ATOM 196 CA SER A 14 1.624 -5.245 -15.996 1.00 1.07 C ATOM 197 C SER A 14 2.811 -4.295 -16.175 1.00 1.04 C ATOM 198 O SER A 14 3.259 -4.049 -17.276 1.00 1.10 O ATOM 199 CB SER A 14 1.265 -5.870 -17.345 1.00 1.14 C ATOM 200 OG SER A 14 0.413 -6.987 -17.132 1.00 1.96 O ATOM 0 H SER A 14 0.434 -3.496 -15.711 1.00 1.20 H new ATOM 0 HA SER A 14 1.892 -6.031 -15.289 1.00 1.07 H new ATOM 0 HB2 SER A 14 0.769 -5.135 -17.979 1.00 1.14 H new ATOM 0 HB3 SER A 14 2.170 -6.182 -17.867 1.00 1.14 H new ATOM 0 HG SER A 14 0.136 -7.013 -16.192 1.00 1.96 H new ATOM 206 N PHE A 15 3.327 -3.765 -15.099 1.00 1.01 N ATOM 207 CA PHE A 15 4.488 -2.837 -15.212 1.00 1.00 C ATOM 208 C PHE A 15 5.682 -3.597 -15.793 1.00 1.00 C ATOM 209 O PHE A 15 6.797 -3.473 -15.326 1.00 0.98 O ATOM 210 CB PHE A 15 4.852 -2.303 -13.823 1.00 0.98 C ATOM 211 CG PHE A 15 3.946 -1.149 -13.459 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.676 -1.037 -14.039 1.00 1.11 C ATOM 213 CD2 PHE A 15 4.378 -0.190 -12.533 1.00 1.74 C ATOM 214 CE1 PHE A 15 1.840 0.033 -13.694 1.00 1.14 C ATOM 215 CE2 PHE A 15 3.542 0.879 -12.189 1.00 1.76 C ATOM 216 CZ PHE A 15 2.274 0.990 -12.769 1.00 0.95 C ATOM 0 H PHE A 15 2.996 -3.934 -14.149 1.00 1.01 H new ATOM 0 HA PHE A 15 4.229 -2.003 -15.864 1.00 1.00 H new ATOM 0 HB2 PHE A 15 4.758 -3.098 -13.083 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.892 -1.977 -13.811 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.341 -1.776 -14.752 1.00 1.11 H new ATOM 0 HD2 PHE A 15 5.357 -0.276 -12.084 1.00 1.74 H new ATOM 0 HE1 PHE A 15 0.861 0.120 -14.142 1.00 1.14 H new ATOM 0 HE2 PHE A 15 3.876 1.618 -11.476 1.00 1.76 H new ATOM 0 HZ PHE A 15 1.629 1.815 -12.503 1.00 0.95 H new ATOM 226 N ALA A 16 5.455 -4.392 -16.803 1.00 1.06 N ATOM 227 CA ALA A 16 6.573 -5.169 -17.410 1.00 1.09 C ATOM 228 C ALA A 16 7.223 -4.357 -18.532 1.00 1.10 C ATOM 229 O ALA A 16 8.279 -3.779 -18.360 1.00 1.18 O ATOM 230 CB ALA A 16 6.030 -6.480 -17.980 1.00 1.14 C ATOM 0 H ALA A 16 4.542 -4.537 -17.235 1.00 1.06 H new ATOM 0 HA ALA A 16 7.319 -5.382 -16.644 1.00 1.09 H new ATOM 0 HB1 ALA A 16 6.846 -7.049 -18.424 1.00 1.14 H new ATOM 0 HB2 ALA A 16 5.574 -7.063 -17.180 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.282 -6.263 -18.743 1.00 1.14 H new ATOM 236 N GLU A 17 6.610 -4.319 -19.684 1.00 1.15 N ATOM 237 CA GLU A 17 7.197 -3.563 -20.818 1.00 1.19 C ATOM 238 C GLU A 17 6.365 -2.309 -21.093 1.00 1.29 C ATOM 239 O GLU A 17 6.155 -1.927 -22.227 1.00 1.41 O ATOM 240 CB GLU A 17 7.182 -4.458 -22.054 1.00 1.32 C ATOM 241 CG GLU A 17 7.300 -5.922 -21.626 1.00 1.41 C ATOM 242 CD GLU A 17 7.325 -6.818 -22.867 1.00 1.67 C ATOM 243 OE1 GLU A 17 8.294 -6.745 -23.605 1.00 2.13 O ATOM 244 OE2 GLU A 17 6.376 -7.558 -23.058 1.00 1.96 O ATOM 0 H GLU A 17 5.724 -4.782 -19.886 1.00 1.15 H new ATOM 0 HA GLU A 17 8.217 -3.266 -20.576 1.00 1.19 H new ATOM 0 HB2 GLU A 17 6.260 -4.305 -22.615 1.00 1.32 H new ATOM 0 HB3 GLU A 17 8.006 -4.194 -22.717 1.00 1.32 H new ATOM 0 HG2 GLU A 17 8.208 -6.068 -21.041 1.00 1.41 H new ATOM 0 HG3 GLU A 17 6.461 -6.193 -20.986 1.00 1.41 H new ATOM 251 N SER A 18 5.889 -1.662 -20.064 1.00 1.41 N ATOM 252 CA SER A 18 5.074 -0.432 -20.276 1.00 1.64 C ATOM 253 C SER A 18 4.617 0.120 -18.924 1.00 1.51 C ATOM 254 O SER A 18 4.440 -0.610 -17.970 1.00 1.30 O ATOM 255 CB SER A 18 3.850 -0.771 -21.126 1.00 2.02 C ATOM 256 OG SER A 18 4.074 -0.342 -22.463 1.00 2.26 O ATOM 0 H SER A 18 6.028 -1.930 -19.090 1.00 1.41 H new ATOM 0 HA SER A 18 5.677 0.317 -20.789 1.00 1.64 H new ATOM 0 HB2 SER A 18 3.663 -1.845 -21.103 1.00 2.02 H new ATOM 0 HB3 SER A 18 2.964 -0.284 -20.719 1.00 2.02 H new ATOM 0 HG SER A 18 4.887 -0.765 -22.811 1.00 2.26 H new ATOM 262 N LEU A 19 4.427 1.408 -18.836 1.00 1.67 N ATOM 263 CA LEU A 19 3.981 2.010 -17.548 1.00 1.59 C ATOM 264 C LEU A 19 2.454 1.974 -17.467 1.00 1.72 C ATOM 265 O LEU A 19 1.882 1.240 -16.686 1.00 2.45 O ATOM 266 CB LEU A 19 4.461 3.461 -17.472 1.00 1.61 C ATOM 267 CG LEU A 19 4.907 3.778 -16.043 1.00 1.71 C ATOM 268 CD1 LEU A 19 5.405 5.222 -15.971 1.00 2.60 C ATOM 269 CD2 LEU A 19 3.722 3.600 -15.090 1.00 1.37 C ATOM 0 H LEU A 19 4.561 2.070 -19.601 1.00 1.67 H new ATOM 0 HA LEU A 19 4.401 1.442 -16.718 1.00 1.59 H new ATOM 0 HB2 LEU A 19 5.287 3.618 -18.165 1.00 1.61 H new ATOM 0 HB3 LEU A 19 3.660 4.136 -17.772 1.00 1.61 H new ATOM 0 HG LEU A 19 5.712 3.102 -15.755 1.00 1.71 H new ATOM 0 HD11 LEU A 19 5.722 5.447 -14.953 1.00 2.60 H new ATOM 0 HD12 LEU A 19 6.247 5.351 -16.651 1.00 2.60 H new ATOM 0 HD13 LEU A 19 4.601 5.899 -16.258 1.00 2.60 H new ATOM 0 HD21 LEU A 19 4.037 3.825 -14.071 1.00 1.37 H new ATOM 0 HD22 LEU A 19 2.918 4.277 -15.379 1.00 1.37 H new ATOM 0 HD23 LEU A 19 3.366 2.571 -15.140 1.00 1.37 H new ATOM 281 N GLY A 20 1.788 2.762 -18.267 1.00 1.44 N ATOM 282 CA GLY A 20 0.298 2.772 -18.234 1.00 1.58 C ATOM 283 C GLY A 20 -0.190 4.128 -17.721 1.00 1.59 C ATOM 284 O GLY A 20 0.584 5.049 -17.545 1.00 1.62 O ATOM 0 H GLY A 20 2.211 3.399 -18.942 1.00 1.44 H new ATOM 0 HA2 GLY A 20 -0.100 2.583 -19.231 1.00 1.58 H new ATOM 0 HA3 GLY A 20 -0.068 1.974 -17.588 1.00 1.58 H new ATOM 288 N PRO A 21 -1.468 4.246 -17.480 1.00 1.60 N ATOM 289 CA PRO A 21 -2.079 5.508 -16.975 1.00 1.60 C ATOM 290 C PRO A 21 -1.687 5.800 -15.524 1.00 1.43 C ATOM 291 O PRO A 21 -1.938 6.871 -15.007 1.00 1.67 O ATOM 292 CB PRO A 21 -3.585 5.260 -17.082 1.00 1.68 C ATOM 293 CG PRO A 21 -3.750 3.776 -17.072 1.00 1.70 C ATOM 294 CD PRO A 21 -2.470 3.184 -17.663 1.00 1.63 C ATOM 0 HA PRO A 21 -1.742 6.374 -17.545 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -4.118 5.719 -16.249 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.989 5.693 -17.997 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.911 3.412 -16.057 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.619 3.480 -17.659 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -2.179 2.268 -17.148 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.596 2.932 -18.716 1.00 1.63 H new ATOM 302 N TRP A 22 -1.069 4.858 -14.865 1.00 1.30 N ATOM 303 CA TRP A 22 -0.660 5.085 -13.451 1.00 1.15 C ATOM 304 C TRP A 22 0.336 6.246 -13.394 1.00 1.24 C ATOM 305 O TRP A 22 0.537 6.952 -14.362 1.00 1.48 O ATOM 306 CB TRP A 22 -0.002 3.819 -12.897 1.00 1.19 C ATOM 307 CG TRP A 22 -1.057 2.874 -12.417 1.00 1.24 C ATOM 308 CD1 TRP A 22 -2.148 2.505 -13.127 1.00 1.40 C ATOM 309 CD2 TRP A 22 -1.143 2.174 -11.141 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.896 1.619 -12.370 1.00 1.52 N ATOM 311 CE2 TRP A 22 -2.318 1.386 -11.138 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.325 2.148 -9.998 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.668 0.597 -10.038 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.673 1.358 -8.890 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.842 0.584 -8.910 1.00 2.39 C ATOM 0 H TRP A 22 -0.830 3.942 -15.245 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.538 5.326 -12.852 1.00 1.15 H new ATOM 0 HB2 TRP A 22 0.602 3.343 -13.669 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.671 4.075 -12.079 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -2.395 2.846 -14.122 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.767 1.191 -12.684 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.578 2.740 -9.972 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.569 0.002 -10.060 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 -0.036 1.347 -8.018 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -2.104 -0.022 -8.055 1.00 2.39 H new ATOM 326 N SER A 23 0.961 6.451 -12.266 1.00 1.20 N ATOM 327 CA SER A 23 1.941 7.567 -12.152 1.00 1.36 C ATOM 328 C SER A 23 3.017 7.199 -11.129 1.00 1.28 C ATOM 329 O SER A 23 2.841 6.307 -10.323 1.00 1.33 O ATOM 330 CB SER A 23 1.218 8.836 -11.698 1.00 1.45 C ATOM 331 OG SER A 23 0.771 9.555 -12.840 1.00 1.64 O ATOM 0 H SER A 23 0.835 5.895 -11.420 1.00 1.20 H new ATOM 0 HA SER A 23 2.407 7.742 -13.122 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.371 8.578 -11.062 1.00 1.45 H new ATOM 0 HB3 SER A 23 1.887 9.457 -11.102 1.00 1.45 H new ATOM 0 HG SER A 23 0.596 8.929 -13.573 1.00 1.64 H new ATOM 337 N LEU A 24 4.130 7.880 -11.154 1.00 1.31 N ATOM 338 CA LEU A 24 5.215 7.567 -10.181 1.00 1.25 C ATOM 339 C LEU A 24 6.172 8.756 -10.084 1.00 1.30 C ATOM 340 O LEU A 24 6.359 9.494 -11.030 1.00 1.47 O ATOM 341 CB LEU A 24 5.984 6.331 -10.654 1.00 1.40 C ATOM 342 CG LEU A 24 6.463 6.547 -12.090 1.00 1.44 C ATOM 343 CD1 LEU A 24 7.902 7.065 -12.077 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.405 5.219 -12.848 1.00 2.05 C ATOM 0 H LEU A 24 4.335 8.638 -11.805 1.00 1.31 H new ATOM 0 HA LEU A 24 4.779 7.371 -9.202 1.00 1.25 H new ATOM 0 HB2 LEU A 24 6.836 6.147 -9.999 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.345 5.450 -10.601 1.00 1.40 H new ATOM 0 HG LEU A 24 5.821 7.277 -12.583 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.243 7.219 -13.101 1.00 2.02 H new ATOM 0 HD12 LEU A 24 7.944 8.010 -11.535 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.547 6.336 -11.586 1.00 2.02 H new ATOM 0 HD21 LEU A 24 6.746 5.370 -13.872 1.00 2.05 H new ATOM 0 HD22 LEU A 24 7.048 4.490 -12.355 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.379 4.850 -12.857 1.00 2.05 H new ATOM 356 N TYR A 25 6.780 8.947 -8.945 1.00 1.23 N ATOM 357 CA TYR A 25 7.724 10.088 -8.786 1.00 1.38 C ATOM 358 C TYR A 25 8.341 10.047 -7.387 1.00 1.34 C ATOM 359 O TYR A 25 7.656 9.863 -6.401 1.00 1.42 O ATOM 360 CB TYR A 25 6.966 11.406 -8.969 1.00 1.72 C ATOM 361 CG TYR A 25 6.274 11.774 -7.679 1.00 1.09 C ATOM 362 CD1 TYR A 25 5.481 10.830 -7.014 1.00 1.22 C ATOM 363 CD2 TYR A 25 6.426 13.059 -7.145 1.00 1.62 C ATOM 364 CE1 TYR A 25 4.839 11.172 -5.819 1.00 1.27 C ATOM 365 CE2 TYR A 25 5.785 13.402 -5.949 1.00 1.57 C ATOM 366 CZ TYR A 25 4.991 12.458 -5.285 1.00 1.08 C ATOM 367 OH TYR A 25 4.358 12.796 -4.107 1.00 1.63 O ATOM 0 H TYR A 25 6.663 8.362 -8.118 1.00 1.23 H new ATOM 0 HA TYR A 25 8.513 10.014 -9.535 1.00 1.38 H new ATOM 0 HB2 TYR A 25 7.657 12.197 -9.262 1.00 1.72 H new ATOM 0 HB3 TYR A 25 6.234 11.308 -9.771 1.00 1.72 H new ATOM 0 HD1 TYR A 25 5.365 9.838 -7.424 1.00 1.22 H new ATOM 0 HD2 TYR A 25 7.039 13.787 -7.657 1.00 1.62 H new ATOM 0 HE1 TYR A 25 4.226 10.444 -5.308 1.00 1.27 H new ATOM 0 HE2 TYR A 25 5.902 14.394 -5.538 1.00 1.57 H new ATOM 0 HH TYR A 25 4.570 13.725 -3.877 1.00 1.63 H new ATOM 377 N GLY A 26 9.632 10.216 -7.290 1.00 1.33 N ATOM 378 CA GLY A 26 10.284 10.185 -5.951 1.00 1.32 C ATOM 379 C GLY A 26 11.704 9.630 -6.078 1.00 1.25 C ATOM 380 O GLY A 26 12.624 10.106 -5.444 1.00 1.70 O ATOM 0 H GLY A 26 10.261 10.374 -8.077 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.313 11.189 -5.527 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.702 9.567 -5.267 1.00 1.32 H new ATOM 384 N THR A 27 11.891 8.625 -6.890 1.00 0.93 N ATOM 385 CA THR A 27 13.255 8.045 -7.046 1.00 0.90 C ATOM 386 C THR A 27 13.796 8.385 -8.438 1.00 0.92 C ATOM 387 O THR A 27 13.579 9.464 -8.951 1.00 0.97 O ATOM 388 CB THR A 27 13.169 6.522 -6.854 1.00 0.88 C ATOM 389 OG1 THR A 27 14.009 5.851 -7.781 1.00 0.73 O ATOM 390 CG2 THR A 27 11.724 6.062 -7.055 1.00 0.95 C ATOM 0 H THR A 27 11.162 8.182 -7.450 1.00 0.93 H new ATOM 0 HA THR A 27 13.933 8.461 -6.301 1.00 0.90 H new ATOM 0 HB THR A 27 13.499 6.281 -5.844 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.703 5.358 -7.296 1.00 0.73 H new ATOM 0 HG21 THR A 27 11.664 4.982 -6.919 1.00 0.95 H new ATOM 0 HG22 THR A 27 11.080 6.556 -6.327 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.397 6.319 -8.062 1.00 0.95 H new ATOM 398 N SER A 28 14.494 7.473 -9.052 1.00 1.12 N ATOM 399 CA SER A 28 15.046 7.738 -10.410 1.00 1.40 C ATOM 400 C SER A 28 14.038 7.285 -11.466 1.00 1.29 C ATOM 401 O SER A 28 13.211 6.429 -11.220 1.00 0.98 O ATOM 402 CB SER A 28 16.354 6.967 -10.588 1.00 1.80 C ATOM 403 OG SER A 28 16.063 5.593 -10.806 1.00 1.73 O ATOM 0 H SER A 28 14.707 6.551 -8.671 1.00 1.12 H new ATOM 0 HA SER A 28 15.236 8.805 -10.524 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.915 7.370 -11.431 1.00 1.80 H new ATOM 0 HB3 SER A 28 16.981 7.082 -9.704 1.00 1.80 H new ATOM 0 HG SER A 28 16.763 5.042 -10.398 1.00 1.73 H new ATOM 409 N GLU A 29 14.101 7.844 -12.643 1.00 1.62 N ATOM 410 CA GLU A 29 13.147 7.435 -13.711 1.00 1.60 C ATOM 411 C GLU A 29 13.141 5.906 -13.817 1.00 1.23 C ATOM 412 O GLU A 29 14.110 5.310 -14.245 1.00 1.37 O ATOM 413 CB GLU A 29 13.594 8.035 -15.046 1.00 2.07 C ATOM 414 CG GLU A 29 13.506 9.560 -14.976 1.00 1.86 C ATOM 415 CD GLU A 29 12.262 10.035 -15.731 1.00 1.99 C ATOM 416 OE1 GLU A 29 12.024 9.533 -16.817 1.00 2.35 O ATOM 417 OE2 GLU A 29 11.569 10.893 -15.210 1.00 2.40 O ATOM 0 H GLU A 29 14.771 8.565 -12.911 1.00 1.62 H new ATOM 0 HA GLU A 29 12.146 7.792 -13.469 1.00 1.60 H new ATOM 0 HB2 GLU A 29 14.616 7.729 -15.270 1.00 2.07 H new ATOM 0 HB3 GLU A 29 12.965 7.661 -15.854 1.00 2.07 H new ATOM 0 HG2 GLU A 29 13.460 9.885 -13.937 1.00 1.86 H new ATOM 0 HG3 GLU A 29 14.400 10.007 -15.410 1.00 1.86 H new ATOM 424 N PRO A 30 12.063 5.269 -13.433 1.00 0.95 N ATOM 425 CA PRO A 30 11.955 3.784 -13.492 1.00 0.81 C ATOM 426 C PRO A 30 12.423 3.234 -14.841 1.00 0.80 C ATOM 427 O PRO A 30 12.680 3.977 -15.767 1.00 0.86 O ATOM 428 CB PRO A 30 10.463 3.511 -13.293 1.00 0.94 C ATOM 429 CG PRO A 30 9.916 4.707 -12.585 1.00 1.13 C ATOM 430 CD PRO A 30 10.836 5.888 -12.905 1.00 1.10 C ATOM 0 HA PRO A 30 12.583 3.301 -12.743 1.00 0.81 H new ATOM 0 HB2 PRO A 30 9.963 3.362 -14.250 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.307 2.605 -12.707 1.00 0.94 H new ATOM 0 HG2 PRO A 30 8.897 4.914 -12.912 1.00 1.13 H new ATOM 0 HG3 PRO A 30 9.876 4.532 -11.510 1.00 1.13 H new ATOM 0 HD2 PRO A 30 10.383 6.557 -13.637 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.043 6.482 -12.015 1.00 1.10 H new ATOM 438 N VAL A 31 12.538 1.940 -14.965 1.00 0.80 N ATOM 439 CA VAL A 31 12.994 1.363 -16.262 1.00 0.82 C ATOM 440 C VAL A 31 12.353 -0.010 -16.480 1.00 0.78 C ATOM 441 O VAL A 31 12.689 -0.973 -15.819 1.00 0.84 O ATOM 442 CB VAL A 31 14.516 1.216 -16.243 1.00 0.92 C ATOM 443 CG1 VAL A 31 14.989 0.631 -17.575 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.158 2.590 -16.035 1.00 1.05 C ATOM 0 H VAL A 31 12.338 1.261 -14.230 1.00 0.80 H new ATOM 0 HA VAL A 31 12.697 2.028 -17.073 1.00 0.82 H new ATOM 0 HB VAL A 31 14.806 0.551 -15.430 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.074 0.526 -17.562 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.532 -0.347 -17.726 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.699 1.296 -18.388 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.243 2.486 -16.021 1.00 1.05 H new ATOM 0 HG22 VAL A 31 14.867 3.254 -16.849 1.00 1.05 H new ATOM 0 HG23 VAL A 31 14.822 3.009 -15.087 1.00 1.05 H new ATOM 454 N PHE A 32 11.445 -0.107 -17.415 1.00 0.74 N ATOM 455 CA PHE A 32 10.791 -1.418 -17.693 1.00 0.77 C ATOM 456 C PHE A 32 11.774 -2.326 -18.434 1.00 0.87 C ATOM 457 O PHE A 32 11.782 -2.394 -19.647 1.00 1.19 O ATOM 458 CB PHE A 32 9.540 -1.201 -18.547 1.00 0.78 C ATOM 459 CG PHE A 32 9.705 0.032 -19.404 1.00 0.93 C ATOM 460 CD1 PHE A 32 10.969 0.402 -19.878 1.00 1.50 C ATOM 461 CD2 PHE A 32 8.584 0.809 -19.724 1.00 1.63 C ATOM 462 CE1 PHE A 32 11.111 1.546 -20.673 1.00 1.78 C ATOM 463 CE2 PHE A 32 8.726 1.952 -20.518 1.00 1.82 C ATOM 464 CZ PHE A 32 9.990 2.321 -20.992 1.00 1.56 C ATOM 0 H PHE A 32 11.128 0.667 -17.999 1.00 0.74 H new ATOM 0 HA PHE A 32 10.501 -1.887 -16.753 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.366 -2.072 -19.179 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.666 -1.093 -17.905 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.835 -0.195 -19.631 1.00 1.50 H new ATOM 0 HD2 PHE A 32 7.609 0.525 -19.357 1.00 1.63 H new ATOM 0 HE1 PHE A 32 12.086 1.830 -21.040 1.00 1.78 H new ATOM 0 HE2 PHE A 32 7.861 2.549 -20.765 1.00 1.82 H new ATOM 0 HZ PHE A 32 10.100 3.204 -21.604 1.00 1.56 H new ATOM 474 N ALA A 33 12.605 -3.022 -17.709 1.00 0.77 N ATOM 475 CA ALA A 33 13.593 -3.925 -18.366 1.00 0.84 C ATOM 476 C ALA A 33 12.862 -4.922 -19.268 1.00 0.67 C ATOM 477 O ALA A 33 11.911 -4.582 -19.943 1.00 0.92 O ATOM 478 CB ALA A 33 14.377 -4.686 -17.295 1.00 1.17 C ATOM 0 H ALA A 33 12.643 -3.005 -16.690 1.00 0.77 H new ATOM 0 HA ALA A 33 14.280 -3.331 -18.969 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.100 -5.347 -17.774 1.00 1.17 H new ATOM 0 HB2 ALA A 33 14.902 -3.976 -16.655 1.00 1.17 H new ATOM 0 HB3 ALA A 33 13.689 -5.278 -16.692 1.00 1.17 H new ATOM 484 N ASP A 34 13.300 -6.151 -19.286 1.00 0.77 N ATOM 485 CA ASP A 34 12.630 -7.168 -20.144 1.00 0.85 C ATOM 486 C ASP A 34 11.132 -7.183 -19.840 1.00 0.84 C ATOM 487 O ASP A 34 10.308 -6.991 -20.712 1.00 0.99 O ATOM 488 CB ASP A 34 13.224 -8.549 -19.859 1.00 1.13 C ATOM 489 CG ASP A 34 13.322 -8.760 -18.346 1.00 1.54 C ATOM 490 OD1 ASP A 34 13.566 -7.790 -17.647 1.00 2.21 O ATOM 491 OD2 ASP A 34 13.150 -9.887 -17.912 1.00 1.78 O ATOM 0 H ASP A 34 14.093 -6.495 -18.744 1.00 0.77 H new ATOM 0 HA ASP A 34 12.785 -6.917 -21.193 1.00 0.85 H new ATOM 0 HB2 ASP A 34 12.601 -9.324 -20.305 1.00 1.13 H new ATOM 0 HB3 ASP A 34 14.211 -8.633 -20.313 1.00 1.13 H new ATOM 496 N GLY A 35 10.773 -7.408 -18.606 1.00 0.84 N ATOM 497 CA GLY A 35 9.327 -7.434 -18.242 1.00 1.02 C ATOM 498 C GLY A 35 9.160 -6.980 -16.791 1.00 0.90 C ATOM 499 O GLY A 35 8.426 -7.573 -16.026 1.00 1.19 O ATOM 0 H GLY A 35 11.418 -7.575 -17.834 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.762 -6.781 -18.906 1.00 1.02 H new ATOM 0 HA3 GLY A 35 8.927 -8.440 -18.368 1.00 1.02 H new ATOM 503 N ARG A 36 9.835 -5.932 -16.407 1.00 0.66 N ATOM 504 CA ARG A 36 9.712 -5.442 -15.006 1.00 0.63 C ATOM 505 C ARG A 36 10.270 -4.022 -14.905 1.00 0.62 C ATOM 506 O ARG A 36 11.241 -3.678 -15.549 1.00 0.68 O ATOM 507 CB ARG A 36 10.501 -6.360 -14.070 1.00 0.70 C ATOM 508 CG ARG A 36 11.831 -6.738 -14.726 1.00 1.16 C ATOM 509 CD ARG A 36 12.924 -6.809 -13.659 1.00 1.40 C ATOM 510 NE ARG A 36 12.707 -8.011 -12.806 1.00 2.02 N ATOM 511 CZ ARG A 36 13.664 -8.441 -12.029 1.00 2.19 C ATOM 512 NH1 ARG A 36 14.810 -7.819 -12.000 1.00 2.28 N ATOM 513 NH2 ARG A 36 13.474 -9.494 -11.281 1.00 2.91 N ATOM 0 H ARG A 36 10.466 -5.395 -17.002 1.00 0.66 H new ATOM 0 HA ARG A 36 8.660 -5.442 -14.719 1.00 0.63 H new ATOM 0 HB2 ARG A 36 10.682 -5.859 -13.119 1.00 0.70 H new ATOM 0 HB3 ARG A 36 9.923 -7.258 -13.852 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.739 -7.699 -15.232 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.096 -6.002 -15.485 1.00 1.16 H new ATOM 0 HD2 ARG A 36 13.905 -6.857 -14.131 1.00 1.40 H new ATOM 0 HD3 ARG A 36 12.909 -5.907 -13.047 1.00 1.40 H new ATOM 0 HE ARG A 36 11.811 -8.498 -12.829 1.00 2.02 H new ATOM 0 HH11 ARG A 36 14.959 -6.996 -12.584 1.00 2.28 H new ATOM 0 HH12 ARG A 36 15.557 -8.155 -11.393 1.00 2.28 H new ATOM 0 HH21 ARG A 36 12.578 -9.981 -11.304 1.00 2.91 H new ATOM 0 HH22 ARG A 36 14.222 -9.830 -10.674 1.00 2.91 H new ATOM 527 N MET A 37 9.667 -3.198 -14.094 1.00 0.63 N ATOM 528 CA MET A 37 10.165 -1.804 -13.942 1.00 0.67 C ATOM 529 C MET A 37 10.765 -1.638 -12.547 1.00 0.68 C ATOM 530 O MET A 37 10.124 -1.906 -11.549 1.00 0.67 O ATOM 531 CB MET A 37 9.006 -0.821 -14.127 1.00 0.71 C ATOM 532 CG MET A 37 9.406 0.550 -13.579 1.00 0.75 C ATOM 533 SD MET A 37 9.138 0.587 -11.790 1.00 0.88 S ATOM 534 CE MET A 37 7.504 1.361 -11.820 1.00 0.93 C ATOM 0 H MET A 37 8.850 -3.431 -13.530 1.00 0.63 H new ATOM 0 HA MET A 37 10.927 -1.601 -14.695 1.00 0.67 H new ATOM 0 HB2 MET A 37 8.748 -0.741 -15.183 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.119 -1.187 -13.609 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.453 0.752 -13.805 1.00 0.75 H new ATOM 0 HG3 MET A 37 8.819 1.332 -14.062 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.866 0.894 -11.070 1.00 0.93 H new ATOM 0 HE2 MET A 37 7.601 2.425 -11.602 1.00 0.93 H new ATOM 0 HE3 MET A 37 7.058 1.232 -12.806 1.00 0.93 H new ATOM 544 N CYS A 38 11.993 -1.209 -12.467 1.00 0.73 N ATOM 545 CA CYS A 38 12.631 -1.043 -11.132 1.00 0.78 C ATOM 546 C CYS A 38 13.095 0.401 -10.944 1.00 0.89 C ATOM 547 O CYS A 38 13.309 1.130 -11.893 1.00 0.88 O ATOM 548 CB CYS A 38 13.833 -1.981 -11.023 1.00 0.79 C ATOM 549 SG CYS A 38 13.303 -3.682 -11.341 1.00 1.06 S ATOM 0 H CYS A 38 12.581 -0.967 -13.265 1.00 0.73 H new ATOM 0 HA CYS A 38 11.902 -1.285 -10.358 1.00 0.78 H new ATOM 0 HB2 CYS A 38 14.602 -1.689 -11.738 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.277 -1.907 -10.030 1.00 0.79 H new ATOM 554 N VAL A 39 13.258 0.811 -9.716 1.00 1.04 N ATOM 555 CA VAL A 39 13.717 2.199 -9.436 1.00 1.18 C ATOM 556 C VAL A 39 14.768 2.153 -8.326 1.00 1.37 C ATOM 557 O VAL A 39 14.704 1.326 -7.437 1.00 1.26 O ATOM 558 CB VAL A 39 12.534 3.050 -8.972 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.949 3.811 -10.161 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.459 2.143 -8.369 1.00 1.26 C ATOM 0 H VAL A 39 13.091 0.238 -8.889 1.00 1.04 H new ATOM 0 HA VAL A 39 14.141 2.636 -10.340 1.00 1.18 H new ATOM 0 HB VAL A 39 12.875 3.762 -8.220 1.00 1.18 H new ATOM 0 HG11 VAL A 39 11.106 4.416 -9.827 1.00 1.26 H new ATOM 0 HG12 VAL A 39 12.713 4.459 -10.590 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.609 3.102 -10.916 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.616 2.749 -8.038 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.121 1.430 -9.121 1.00 1.26 H new ATOM 0 HG23 VAL A 39 11.874 1.603 -7.518 1.00 1.26 H new ATOM 570 N ASP A 40 15.731 3.030 -8.362 1.00 1.71 N ATOM 571 CA ASP A 40 16.774 3.025 -7.299 1.00 1.97 C ATOM 572 C ASP A 40 16.191 3.627 -6.019 1.00 1.61 C ATOM 573 O ASP A 40 15.744 4.757 -6.003 1.00 2.31 O ATOM 574 CB ASP A 40 17.973 3.859 -7.755 1.00 3.21 C ATOM 575 CG ASP A 40 18.446 3.369 -9.126 1.00 4.09 C ATOM 576 OD1 ASP A 40 17.603 3.181 -9.987 1.00 4.39 O ATOM 577 OD2 ASP A 40 19.641 3.190 -9.289 1.00 4.79 O ATOM 0 H ASP A 40 15.841 3.748 -9.078 1.00 1.71 H new ATOM 0 HA ASP A 40 17.098 2.002 -7.109 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.697 4.912 -7.809 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.782 3.778 -7.029 1.00 3.21 H new ATOM 582 N LEU A 41 16.189 2.886 -4.944 1.00 1.25 N ATOM 583 CA LEU A 41 15.631 3.431 -3.676 1.00 1.86 C ATOM 584 C LEU A 41 16.710 3.506 -2.588 1.00 1.67 C ATOM 585 O LEU A 41 16.428 3.291 -1.426 1.00 1.20 O ATOM 586 CB LEU A 41 14.490 2.532 -3.192 1.00 2.45 C ATOM 587 CG LEU A 41 13.167 3.025 -3.779 1.00 2.88 C ATOM 588 CD1 LEU A 41 12.871 4.431 -3.254 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.271 3.064 -5.305 1.00 3.54 C ATOM 0 H LEU A 41 16.548 1.933 -4.890 1.00 1.25 H new ATOM 0 HA LEU A 41 15.260 4.438 -3.869 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.672 1.501 -3.494 1.00 2.45 H new ATOM 0 HB3 LEU A 41 14.443 2.541 -2.103 1.00 2.45 H new ATOM 0 HG LEU A 41 12.364 2.349 -3.485 1.00 2.88 H new ATOM 0 HD11 LEU A 41 11.928 4.784 -3.671 1.00 2.65 H new ATOM 0 HD12 LEU A 41 12.800 4.406 -2.167 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.674 5.106 -3.549 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.329 3.415 -5.725 1.00 3.54 H new ATOM 0 HD22 LEU A 41 14.074 3.741 -5.598 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.485 2.063 -5.681 1.00 3.54 H new ATOM 601 N PRO A 42 17.930 3.830 -2.944 1.00 2.30 N ATOM 602 CA PRO A 42 19.044 3.961 -1.960 1.00 2.32 C ATOM 603 C PRO A 42 19.004 5.317 -1.246 1.00 1.85 C ATOM 604 O PRO A 42 18.291 5.507 -0.280 1.00 2.18 O ATOM 605 CB PRO A 42 20.291 3.875 -2.835 1.00 3.11 C ATOM 606 CG PRO A 42 19.871 4.474 -4.134 1.00 3.74 C ATOM 607 CD PRO A 42 18.399 4.095 -4.317 1.00 3.24 C ATOM 0 HA PRO A 42 18.998 3.205 -1.176 1.00 2.32 H new ATOM 0 HB2 PRO A 42 21.124 4.423 -2.395 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.619 2.843 -2.960 1.00 3.11 H new ATOM 0 HG2 PRO A 42 19.997 5.557 -4.123 1.00 3.74 H new ATOM 0 HG3 PRO A 42 20.478 4.091 -4.955 1.00 3.74 H new ATOM 0 HD2 PRO A 42 17.834 4.901 -4.784 1.00 3.24 H new ATOM 0 HD3 PRO A 42 18.288 3.217 -4.954 1.00 3.24 H new ATOM 615 N GLY A 43 19.760 6.262 -1.734 1.00 1.69 N ATOM 616 CA GLY A 43 19.774 7.620 -1.118 1.00 1.65 C ATOM 617 C GLY A 43 19.889 7.522 0.405 1.00 1.62 C ATOM 618 O GLY A 43 20.932 7.205 0.941 1.00 2.03 O ATOM 0 H GLY A 43 20.374 6.151 -2.541 1.00 1.69 H new ATOM 0 HA2 GLY A 43 20.610 8.196 -1.514 1.00 1.65 H new ATOM 0 HA3 GLY A 43 18.863 8.155 -1.385 1.00 1.65 H new ATOM 622 N GLY A 44 18.826 7.812 1.102 1.00 1.61 N ATOM 623 CA GLY A 44 18.861 7.760 2.589 1.00 2.13 C ATOM 624 C GLY A 44 17.742 8.652 3.131 1.00 2.06 C ATOM 625 O GLY A 44 17.979 9.580 3.878 1.00 2.41 O ATOM 0 H GLY A 44 17.928 8.085 0.702 1.00 1.61 H new ATOM 0 HA2 GLY A 44 18.730 6.735 2.936 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.829 8.100 2.958 1.00 2.13 H new ATOM 629 N GLN A 45 16.524 8.384 2.744 1.00 1.86 N ATOM 630 CA GLN A 45 15.383 9.216 3.214 1.00 1.96 C ATOM 631 C GLN A 45 14.665 8.516 4.368 1.00 1.90 C ATOM 632 O GLN A 45 13.926 7.572 4.170 1.00 1.92 O ATOM 633 CB GLN A 45 14.403 9.410 2.057 1.00 2.10 C ATOM 634 CG GLN A 45 14.870 10.571 1.177 1.00 2.29 C ATOM 635 CD GLN A 45 14.052 10.595 -0.116 1.00 2.34 C ATOM 636 OE1 GLN A 45 13.037 11.260 -0.194 1.00 2.96 O ATOM 637 NE2 GLN A 45 14.452 9.893 -1.140 1.00 2.07 N ATOM 0 H GLN A 45 16.271 7.619 2.118 1.00 1.86 H new ATOM 0 HA GLN A 45 15.756 10.181 3.558 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.337 8.496 1.466 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.404 9.612 2.443 1.00 2.10 H new ATOM 0 HG2 GLN A 45 14.754 11.515 1.710 1.00 2.29 H new ATOM 0 HG3 GLN A 45 15.930 10.463 0.947 1.00 2.29 H new ATOM 0 HE21 GLN A 45 15.303 9.335 -1.075 1.00 2.07 H new ATOM 0 HE22 GLN A 45 13.913 9.902 -2.006 1.00 2.07 H new ATOM 646 N GLY A 46 14.865 8.975 5.573 1.00 2.04 N ATOM 647 CA GLY A 46 14.183 8.339 6.734 1.00 2.08 C ATOM 648 C GLY A 46 12.726 8.801 6.783 1.00 2.01 C ATOM 649 O GLY A 46 12.184 9.070 7.836 1.00 2.08 O ATOM 0 H GLY A 46 15.471 9.763 5.803 1.00 2.04 H new ATOM 0 HA2 GLY A 46 14.229 7.253 6.647 1.00 2.08 H new ATOM 0 HA3 GLY A 46 14.692 8.606 7.660 1.00 2.08 H new ATOM 653 N ASN A 47 12.087 8.896 5.649 1.00 2.09 N ATOM 654 CA ASN A 47 10.666 9.343 5.625 1.00 2.14 C ATOM 655 C ASN A 47 10.010 8.893 4.317 1.00 1.80 C ATOM 656 O ASN A 47 10.078 9.575 3.314 1.00 1.63 O ATOM 657 CB ASN A 47 10.612 10.869 5.723 1.00 2.60 C ATOM 658 CG ASN A 47 11.868 11.467 5.086 1.00 2.84 C ATOM 659 OD1 ASN A 47 12.959 10.975 5.290 1.00 2.65 O ATOM 660 ND2 ASN A 47 11.758 12.515 4.316 1.00 3.61 N ATOM 0 H ASN A 47 12.489 8.683 4.736 1.00 2.09 H new ATOM 0 HA ASN A 47 10.132 8.904 6.468 1.00 2.14 H new ATOM 0 HB2 ASN A 47 9.722 11.245 5.219 1.00 2.60 H new ATOM 0 HB3 ASN A 47 10.540 11.175 6.767 1.00 2.60 H new ATOM 0 HD21 ASN A 47 12.589 12.921 3.885 1.00 3.61 H new ATOM 0 HD22 ASN A 47 10.841 12.928 4.145 1.00 3.61 H new ATOM 667 N PRO A 48 9.380 7.748 4.330 1.00 1.85 N ATOM 668 CA PRO A 48 8.698 7.188 3.129 1.00 1.74 C ATOM 669 C PRO A 48 7.776 8.207 2.453 1.00 1.36 C ATOM 670 O PRO A 48 7.690 8.274 1.243 1.00 1.19 O ATOM 671 CB PRO A 48 7.882 6.018 3.680 1.00 2.19 C ATOM 672 CG PRO A 48 8.563 5.612 4.945 1.00 2.36 C ATOM 673 CD PRO A 48 9.249 6.863 5.499 1.00 2.21 C ATOM 0 HA PRO A 48 9.415 6.896 2.362 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.850 6.314 3.868 1.00 2.19 H new ATOM 0 HB3 PRO A 48 7.852 5.192 2.969 1.00 2.19 H new ATOM 0 HG2 PRO A 48 7.843 5.216 5.662 1.00 2.36 H new ATOM 0 HG3 PRO A 48 9.291 4.823 4.756 1.00 2.36 H new ATOM 0 HD2 PRO A 48 8.655 7.328 6.286 1.00 2.21 H new ATOM 0 HD3 PRO A 48 10.221 6.626 5.931 1.00 2.21 H new ATOM 681 N TRP A 49 7.085 9.000 3.225 1.00 1.49 N ATOM 682 CA TRP A 49 6.168 10.011 2.626 1.00 1.39 C ATOM 683 C TRP A 49 6.978 11.006 1.793 1.00 1.17 C ATOM 684 O TRP A 49 6.843 12.205 1.936 1.00 1.45 O ATOM 685 CB TRP A 49 5.434 10.758 3.740 1.00 1.79 C ATOM 686 CG TRP A 49 6.389 11.063 4.851 1.00 1.85 C ATOM 687 CD1 TRP A 49 7.099 12.208 4.971 1.00 1.69 C ATOM 688 CD2 TRP A 49 6.749 10.236 5.994 1.00 2.46 C ATOM 689 NE1 TRP A 49 7.872 12.136 6.115 1.00 1.97 N ATOM 690 CE2 TRP A 49 7.692 10.941 6.780 1.00 2.36 C ATOM 691 CE3 TRP A 49 6.354 8.955 6.423 1.00 3.27 C ATOM 692 CZ2 TRP A 49 8.223 10.393 7.951 1.00 2.90 C ATOM 693 CZ3 TRP A 49 6.885 8.403 7.597 1.00 3.87 C ATOM 694 CH2 TRP A 49 7.818 9.119 8.360 1.00 3.62 C ATOM 0 H TRP A 49 7.116 8.992 4.245 1.00 1.49 H new ATOM 0 HA TRP A 49 5.443 9.508 1.987 1.00 1.39 H new ATOM 0 HB2 TRP A 49 5.005 11.682 3.351 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.607 10.154 4.113 1.00 1.79 H new ATOM 0 HD1 TRP A 49 7.067 13.042 4.285 1.00 1.69 H new ATOM 0 HE1 TRP A 49 8.499 12.877 6.429 1.00 1.97 H new ATOM 0 HE3 TRP A 49 5.636 8.393 5.843 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 8.941 10.950 8.535 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 6.573 7.419 7.916 1.00 3.87 H new ATOM 0 HH2 TRP A 49 8.223 8.687 9.263 1.00 3.62 H new ATOM 705 N ASP A 50 7.820 10.520 0.922 1.00 1.07 N ATOM 706 CA ASP A 50 8.636 11.441 0.082 1.00 1.36 C ATOM 707 C ASP A 50 8.925 10.786 -1.270 1.00 1.21 C ATOM 708 O ASP A 50 9.765 11.240 -2.023 1.00 1.27 O ATOM 709 CB ASP A 50 9.956 11.743 0.794 1.00 1.73 C ATOM 710 CG ASP A 50 9.688 12.621 2.018 1.00 2.02 C ATOM 711 OD1 ASP A 50 8.974 12.170 2.900 1.00 2.38 O ATOM 712 OD2 ASP A 50 10.199 13.728 2.054 1.00 2.14 O ATOM 0 H ASP A 50 7.978 9.526 0.756 1.00 1.07 H new ATOM 0 HA ASP A 50 8.085 12.368 -0.077 1.00 1.36 H new ATOM 0 HB2 ASP A 50 10.438 10.814 1.098 1.00 1.73 H new ATOM 0 HB3 ASP A 50 10.641 12.249 0.113 1.00 1.73 H new ATOM 717 N ALA A 51 8.238 9.721 -1.587 1.00 1.09 N ATOM 718 CA ALA A 51 8.477 9.041 -2.892 1.00 1.02 C ATOM 719 C ALA A 51 7.638 7.764 -2.964 1.00 0.89 C ATOM 720 O ALA A 51 7.326 7.159 -1.957 1.00 0.87 O ATOM 721 CB ALA A 51 9.960 8.683 -3.014 1.00 1.11 C ATOM 0 H ALA A 51 7.523 9.293 -0.999 1.00 1.09 H new ATOM 0 HA ALA A 51 8.194 9.708 -3.707 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.137 8.186 -3.968 1.00 1.11 H new ATOM 0 HB2 ALA A 51 10.559 9.592 -2.962 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.242 8.016 -2.199 1.00 1.11 H new ATOM 727 N GLY A 52 7.273 7.345 -4.145 1.00 0.86 N ATOM 728 CA GLY A 52 6.458 6.104 -4.272 1.00 0.86 C ATOM 729 C GLY A 52 5.598 6.172 -5.536 1.00 0.87 C ATOM 730 O GLY A 52 5.581 7.165 -6.236 1.00 0.94 O ATOM 0 H GLY A 52 7.503 7.807 -5.025 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.111 5.232 -4.313 1.00 0.86 H new ATOM 0 HA3 GLY A 52 5.822 5.985 -3.395 1.00 0.86 H new ATOM 734 N LEU A 53 4.881 5.120 -5.833 1.00 0.83 N ATOM 735 CA LEU A 53 4.020 5.125 -7.050 1.00 0.84 C ATOM 736 C LEU A 53 2.674 5.765 -6.711 1.00 0.79 C ATOM 737 O LEU A 53 2.458 6.224 -5.607 1.00 0.78 O ATOM 738 CB LEU A 53 3.785 3.692 -7.530 1.00 0.85 C ATOM 739 CG LEU A 53 5.090 2.897 -7.465 1.00 0.90 C ATOM 740 CD1 LEU A 53 4.968 1.651 -8.344 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.246 3.764 -7.967 1.00 0.96 C ATOM 0 H LEU A 53 4.855 4.260 -5.286 1.00 0.83 H new ATOM 0 HA LEU A 53 4.517 5.692 -7.837 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.026 3.212 -6.911 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.405 3.700 -8.552 1.00 0.85 H new ATOM 0 HG LEU A 53 5.283 2.600 -6.434 1.00 0.90 H new ATOM 0 HD11 LEU A 53 5.897 1.082 -8.300 1.00 0.90 H new ATOM 0 HD12 LEU A 53 4.146 1.032 -7.985 1.00 0.90 H new ATOM 0 HD13 LEU A 53 4.774 1.950 -9.374 1.00 0.90 H new ATOM 0 HD21 LEU A 53 7.175 3.195 -7.920 1.00 0.96 H new ATOM 0 HD22 LEU A 53 6.056 4.063 -8.998 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.333 4.653 -7.342 1.00 0.96 H new ATOM 753 N VAL A 54 1.767 5.804 -7.647 1.00 0.79 N ATOM 754 CA VAL A 54 0.443 6.419 -7.360 1.00 0.78 C ATOM 755 C VAL A 54 -0.596 5.986 -8.391 1.00 0.80 C ATOM 756 O VAL A 54 -0.275 5.568 -9.486 1.00 0.90 O ATOM 757 CB VAL A 54 0.580 7.937 -7.391 1.00 0.89 C ATOM 758 CG1 VAL A 54 1.510 8.346 -8.534 1.00 0.92 C ATOM 759 CG2 VAL A 54 -0.795 8.576 -7.597 1.00 0.92 C ATOM 0 H VAL A 54 1.885 5.439 -8.592 1.00 0.79 H new ATOM 0 HA VAL A 54 0.112 6.088 -6.376 1.00 0.78 H new ATOM 0 HB VAL A 54 0.998 8.278 -6.444 1.00 0.89 H new ATOM 0 HG11 VAL A 54 1.606 9.432 -8.554 1.00 0.92 H new ATOM 0 HG12 VAL A 54 2.492 7.897 -8.383 1.00 0.92 H new ATOM 0 HG13 VAL A 54 1.096 8.001 -9.481 1.00 0.92 H new ATOM 0 HG21 VAL A 54 -0.692 9.661 -7.619 1.00 0.92 H new ATOM 0 HG22 VAL A 54 -1.218 8.233 -8.541 1.00 0.92 H new ATOM 0 HG23 VAL A 54 -1.455 8.290 -6.778 1.00 0.92 H new ATOM 769 N TYR A 55 -1.847 6.104 -8.037 1.00 0.78 N ATOM 770 CA TYR A 55 -2.943 5.722 -8.974 1.00 0.82 C ATOM 771 C TYR A 55 -4.296 5.931 -8.287 1.00 0.81 C ATOM 772 O TYR A 55 -4.554 5.397 -7.227 1.00 1.06 O ATOM 773 CB TYR A 55 -2.803 4.250 -9.371 1.00 0.83 C ATOM 774 CG TYR A 55 -3.925 3.878 -10.311 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.097 4.585 -11.508 1.00 1.54 C ATOM 776 CD2 TYR A 55 -4.797 2.831 -9.986 1.00 1.59 C ATOM 777 CE1 TYR A 55 -5.140 4.249 -12.377 1.00 1.71 C ATOM 778 CE2 TYR A 55 -5.843 2.495 -10.855 1.00 1.70 C ATOM 779 CZ TYR A 55 -6.014 3.206 -12.050 1.00 1.37 C ATOM 780 OH TYR A 55 -7.044 2.878 -12.907 1.00 1.61 O ATOM 0 H TYR A 55 -2.160 6.452 -7.131 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.881 6.344 -9.867 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.839 4.081 -9.852 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.832 3.618 -8.484 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.423 5.391 -11.760 1.00 1.54 H new ATOM 0 HD2 TYR A 55 -4.663 2.283 -9.065 1.00 1.59 H new ATOM 0 HE1 TYR A 55 -5.271 4.794 -13.300 1.00 1.71 H new ATOM 0 HE2 TYR A 55 -6.517 1.689 -10.604 1.00 1.70 H new ATOM 0 HH TYR A 55 -7.020 3.469 -13.689 1.00 1.61 H new ATOM 790 N ASN A 56 -5.163 6.704 -8.885 1.00 0.93 N ATOM 791 CA ASN A 56 -6.496 6.948 -8.271 1.00 1.01 C ATOM 792 C ASN A 56 -7.546 6.080 -8.968 1.00 1.28 C ATOM 793 O ASN A 56 -7.225 5.221 -9.764 1.00 2.04 O ATOM 794 CB ASN A 56 -6.864 8.423 -8.433 1.00 1.81 C ATOM 795 CG ASN A 56 -6.357 9.214 -7.226 1.00 2.22 C ATOM 796 OD1 ASN A 56 -6.817 10.307 -6.964 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.420 8.704 -6.474 1.00 2.47 N ATOM 0 H ASN A 56 -5.003 7.177 -9.774 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.462 6.694 -7.212 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.427 8.819 -9.350 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -7.945 8.531 -8.523 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -5.075 9.223 -5.667 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -5.033 7.786 -6.693 1.00 2.47 H new ATOM 804 N GLY A 57 -8.798 6.297 -8.673 1.00 1.18 N ATOM 805 CA GLY A 57 -9.866 5.484 -9.320 1.00 1.77 C ATOM 806 C GLY A 57 -9.992 4.138 -8.605 1.00 1.64 C ATOM 807 O GLY A 57 -9.607 3.110 -9.126 1.00 2.48 O ATOM 0 H GLY A 57 -9.127 7.001 -8.013 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.816 6.017 -9.282 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.630 5.327 -10.373 1.00 1.77 H new ATOM 811 N VAL A 58 -10.529 4.135 -7.416 1.00 1.34 N ATOM 812 CA VAL A 58 -10.679 2.853 -6.670 1.00 1.99 C ATOM 813 C VAL A 58 -11.707 3.033 -5.551 1.00 1.78 C ATOM 814 O VAL A 58 -11.378 3.004 -4.382 1.00 1.95 O ATOM 815 CB VAL A 58 -9.332 2.454 -6.065 1.00 2.93 C ATOM 816 CG1 VAL A 58 -8.393 1.981 -7.177 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.714 3.660 -5.355 1.00 2.88 C ATOM 0 H VAL A 58 -10.870 4.964 -6.929 1.00 1.34 H new ATOM 0 HA VAL A 58 -11.016 2.073 -7.352 1.00 1.99 H new ATOM 0 HB VAL A 58 -9.481 1.647 -5.348 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -7.433 1.697 -6.746 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -8.832 1.121 -7.683 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -8.244 2.788 -7.895 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.754 3.376 -4.924 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -8.565 4.467 -6.072 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -9.382 3.997 -4.563 1.00 2.88 H new ATOM 827 N PRO A 59 -12.947 3.215 -5.914 1.00 1.85 N ATOM 828 CA PRO A 59 -14.057 3.403 -4.936 1.00 1.84 C ATOM 829 C PRO A 59 -14.035 2.350 -3.826 1.00 1.90 C ATOM 830 O PRO A 59 -13.624 1.224 -4.033 1.00 2.05 O ATOM 831 CB PRO A 59 -15.321 3.257 -5.786 1.00 2.07 C ATOM 832 CG PRO A 59 -14.910 3.615 -7.176 1.00 2.39 C ATOM 833 CD PRO A 59 -13.427 3.264 -7.305 1.00 2.40 C ATOM 0 HA PRO A 59 -13.986 4.362 -4.424 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.709 2.239 -5.741 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -16.113 3.916 -5.429 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -15.502 3.065 -7.907 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -15.074 4.676 -7.366 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -13.286 2.308 -7.809 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.889 4.013 -7.886 1.00 2.40 H new ATOM 841 N VAL A 60 -14.472 2.703 -2.649 1.00 2.10 N ATOM 842 CA VAL A 60 -14.475 1.722 -1.529 1.00 2.46 C ATOM 843 C VAL A 60 -15.863 1.684 -0.886 1.00 2.53 C ATOM 844 O VAL A 60 -16.217 2.542 -0.102 1.00 2.50 O ATOM 845 CB VAL A 60 -13.440 2.139 -0.483 1.00 2.79 C ATOM 846 CG1 VAL A 60 -13.392 1.095 0.634 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.062 2.240 -1.142 1.00 2.93 C ATOM 0 H VAL A 60 -14.828 3.630 -2.415 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.226 0.733 -1.913 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.717 3.107 -0.065 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.654 1.393 1.379 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -14.373 1.020 1.104 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -13.115 0.127 0.216 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -11.324 2.537 -0.397 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.787 1.272 -1.560 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -12.093 2.983 -1.939 1.00 2.93 H new ATOM 857 N GLY A 61 -16.651 0.695 -1.209 1.00 2.83 N ATOM 858 CA GLY A 61 -18.014 0.604 -0.616 1.00 3.05 C ATOM 859 C GLY A 61 -17.964 -0.256 0.648 1.00 2.72 C ATOM 860 O GLY A 61 -17.666 -1.433 0.600 1.00 2.61 O ATOM 0 H GLY A 61 -16.409 -0.054 -1.858 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.385 1.600 -0.376 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.707 0.170 -1.337 1.00 3.05 H new ATOM 864 N GLU A 62 -18.252 0.322 1.783 1.00 3.03 N ATOM 865 CA GLU A 62 -18.220 -0.462 3.049 1.00 2.96 C ATOM 866 C GLU A 62 -18.978 -1.777 2.856 1.00 2.29 C ATOM 867 O GLU A 62 -19.919 -1.857 2.091 1.00 2.02 O ATOM 868 CB GLU A 62 -18.882 0.348 4.166 1.00 4.03 C ATOM 869 CG GLU A 62 -19.382 -0.601 5.257 1.00 4.32 C ATOM 870 CD GLU A 62 -20.723 -1.203 4.836 1.00 5.32 C ATOM 871 OE1 GLU A 62 -21.609 -0.441 4.486 1.00 5.54 O ATOM 872 OE2 GLU A 62 -20.841 -2.417 4.869 1.00 6.05 O ATOM 0 H GLU A 62 -18.508 1.304 1.887 1.00 3.03 H new ATOM 0 HA GLU A 62 -17.185 -0.676 3.317 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -18.170 1.059 4.586 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.713 0.929 3.765 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -18.653 -1.393 5.426 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -19.493 -0.063 6.199 1.00 4.32 H new ATOM 879 N GLY A 63 -18.578 -2.811 3.546 1.00 2.54 N ATOM 880 CA GLY A 63 -19.276 -4.119 3.403 1.00 2.46 C ATOM 881 C GLY A 63 -18.568 -4.970 2.347 1.00 2.21 C ATOM 882 O GLY A 63 -18.654 -6.181 2.353 1.00 2.29 O ATOM 0 H GLY A 63 -17.797 -2.805 4.203 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.286 -4.643 4.359 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.315 -3.958 3.117 1.00 2.46 H new ATOM 886 N GLU A 64 -17.869 -4.346 1.438 1.00 2.23 N ATOM 887 CA GLU A 64 -17.159 -5.120 0.382 1.00 2.27 C ATOM 888 C GLU A 64 -15.672 -5.220 0.729 1.00 2.19 C ATOM 889 O GLU A 64 -15.169 -4.498 1.566 1.00 2.81 O ATOM 890 CB GLU A 64 -17.324 -4.409 -0.961 1.00 2.70 C ATOM 891 CG GLU A 64 -18.578 -4.930 -1.667 1.00 3.18 C ATOM 892 CD GLU A 64 -18.179 -5.971 -2.714 1.00 3.59 C ATOM 893 OE1 GLU A 64 -17.708 -7.026 -2.322 1.00 4.03 O ATOM 894 OE2 GLU A 64 -18.352 -5.697 -3.890 1.00 3.92 O ATOM 0 H GLU A 64 -17.759 -3.333 1.382 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.581 -6.123 0.320 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.402 -3.333 -0.807 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.446 -4.579 -1.584 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -19.260 -5.372 -0.941 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.109 -4.106 -2.143 1.00 3.18 H new ATOM 901 N SER A 65 -14.964 -6.110 0.088 1.00 1.71 N ATOM 902 CA SER A 65 -13.509 -6.256 0.377 1.00 1.83 C ATOM 903 C SER A 65 -12.728 -6.271 -0.938 1.00 1.49 C ATOM 904 O SER A 65 -13.109 -6.924 -1.889 1.00 1.87 O ATOM 905 CB SER A 65 -13.267 -7.565 1.130 1.00 2.37 C ATOM 906 OG SER A 65 -14.031 -7.567 2.328 1.00 2.91 O ATOM 0 H SER A 65 -15.331 -6.742 -0.623 1.00 1.71 H new ATOM 0 HA SER A 65 -13.174 -5.419 0.989 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.546 -8.414 0.506 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.207 -7.674 1.361 1.00 2.37 H new ATOM 0 HG SER A 65 -14.330 -8.480 2.524 1.00 2.91 H new ATOM 912 N TYR A 66 -11.642 -5.549 -1.004 1.00 1.14 N ATOM 913 CA TYR A 66 -10.843 -5.516 -2.258 1.00 1.22 C ATOM 914 C TYR A 66 -9.570 -6.347 -2.085 1.00 1.63 C ATOM 915 O TYR A 66 -9.308 -6.888 -1.029 1.00 2.01 O ATOM 916 CB TYR A 66 -10.467 -4.068 -2.563 1.00 1.29 C ATOM 917 CG TYR A 66 -11.669 -3.338 -3.115 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.561 -2.703 -2.242 1.00 1.79 C ATOM 919 CD2 TYR A 66 -11.891 -3.296 -4.496 1.00 1.47 C ATOM 920 CE1 TYR A 66 -13.676 -2.027 -2.751 1.00 1.98 C ATOM 921 CE2 TYR A 66 -13.005 -2.620 -5.006 1.00 1.86 C ATOM 922 CZ TYR A 66 -13.898 -1.984 -4.134 1.00 1.87 C ATOM 923 OH TYR A 66 -14.996 -1.317 -4.636 1.00 2.38 O ATOM 0 H TYR A 66 -11.275 -4.980 -0.241 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.429 -5.931 -3.078 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.114 -3.575 -1.657 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.649 -4.038 -3.282 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.389 -2.735 -1.176 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -11.202 -3.786 -5.169 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -14.365 -1.539 -2.078 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -13.176 -2.589 -6.072 1.00 1.86 H new ATOM 0 HH TYR A 66 -14.848 -0.350 -4.575 1.00 2.38 H new ATOM 933 N VAL A 67 -8.776 -6.447 -3.116 1.00 1.69 N ATOM 934 CA VAL A 67 -7.515 -7.238 -3.022 1.00 2.07 C ATOM 935 C VAL A 67 -6.486 -6.669 -4.003 1.00 2.20 C ATOM 936 O VAL A 67 -6.834 -6.102 -5.020 1.00 2.22 O ATOM 937 CB VAL A 67 -7.801 -8.699 -3.377 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.664 -9.585 -2.861 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.119 -9.132 -2.730 1.00 2.54 C ATOM 0 H VAL A 67 -8.947 -6.013 -4.023 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.124 -7.181 -2.006 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.876 -8.801 -4.460 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -6.869 -10.625 -3.115 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.725 -9.278 -3.322 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.587 -9.484 -1.778 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.324 -10.172 -2.982 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -9.044 -9.029 -1.647 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -9.929 -8.503 -3.099 1.00 2.54 H new ATOM 949 N LEU A 68 -5.222 -6.810 -3.707 1.00 2.36 N ATOM 950 CA LEU A 68 -4.181 -6.268 -4.627 1.00 2.59 C ATOM 951 C LEU A 68 -3.039 -7.280 -4.772 1.00 2.17 C ATOM 952 O LEU A 68 -2.369 -7.613 -3.814 1.00 2.07 O ATOM 953 CB LEU A 68 -3.633 -4.960 -4.052 1.00 3.01 C ATOM 954 CG LEU A 68 -3.201 -4.028 -5.187 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.439 -3.464 -5.884 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.373 -2.877 -4.612 1.00 3.61 C ATOM 0 H LEU A 68 -4.866 -7.275 -2.872 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.623 -6.084 -5.606 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.395 -4.474 -3.442 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -2.786 -5.167 -3.399 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.601 -4.586 -5.907 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -4.131 -2.800 -6.692 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.031 -4.283 -6.293 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -5.039 -2.906 -5.165 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -2.064 -2.212 -5.419 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.974 -2.320 -3.893 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.490 -3.277 -4.114 1.00 3.61 H new ATOM 968 N SER A 69 -2.806 -7.761 -5.965 1.00 1.98 N ATOM 969 CA SER A 69 -1.702 -8.740 -6.180 1.00 1.66 C ATOM 970 C SER A 69 -0.589 -8.051 -6.970 1.00 1.53 C ATOM 971 O SER A 69 -0.467 -8.211 -8.168 1.00 1.60 O ATOM 972 CB SER A 69 -2.228 -9.942 -6.961 1.00 1.82 C ATOM 973 OG SER A 69 -1.224 -10.398 -7.857 1.00 2.27 O ATOM 0 H SER A 69 -3.335 -7.516 -6.802 1.00 1.98 H new ATOM 0 HA SER A 69 -1.315 -9.087 -5.222 1.00 1.66 H new ATOM 0 HB2 SER A 69 -2.509 -10.741 -6.275 1.00 1.82 H new ATOM 0 HB3 SER A 69 -3.126 -9.666 -7.514 1.00 1.82 H new ATOM 0 HG SER A 69 -1.079 -9.726 -8.555 1.00 2.27 H new ATOM 979 N PHE A 70 0.205 -7.259 -6.304 1.00 1.38 N ATOM 980 CA PHE A 70 1.295 -6.523 -7.006 1.00 1.30 C ATOM 981 C PHE A 70 2.616 -7.289 -6.945 1.00 1.23 C ATOM 982 O PHE A 70 2.931 -7.934 -5.967 1.00 1.40 O ATOM 983 CB PHE A 70 1.475 -5.144 -6.368 1.00 1.34 C ATOM 984 CG PHE A 70 1.948 -5.299 -4.943 1.00 1.31 C ATOM 985 CD1 PHE A 70 3.301 -5.534 -4.675 1.00 1.23 C ATOM 986 CD2 PHE A 70 1.032 -5.203 -3.889 1.00 1.96 C ATOM 987 CE1 PHE A 70 3.740 -5.672 -3.353 1.00 1.35 C ATOM 988 CE2 PHE A 70 1.469 -5.343 -2.567 1.00 2.01 C ATOM 989 CZ PHE A 70 2.823 -5.577 -2.299 1.00 1.48 C ATOM 0 H PHE A 70 0.146 -7.089 -5.300 1.00 1.38 H new ATOM 0 HA PHE A 70 1.012 -6.417 -8.053 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.197 -4.560 -6.939 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.533 -4.597 -6.391 1.00 1.34 H new ATOM 0 HD1 PHE A 70 4.007 -5.609 -5.489 1.00 1.23 H new ATOM 0 HD2 PHE A 70 -0.012 -5.021 -4.096 1.00 1.96 H new ATOM 0 HE1 PHE A 70 4.785 -5.852 -3.146 1.00 1.35 H new ATOM 0 HE2 PHE A 70 0.762 -5.271 -1.754 1.00 2.01 H new ATOM 0 HZ PHE A 70 3.160 -5.684 -1.279 1.00 1.48 H new ATOM 999 N THR A 71 3.406 -7.188 -7.981 1.00 1.13 N ATOM 1000 CA THR A 71 4.729 -7.871 -7.994 1.00 1.16 C ATOM 1001 C THR A 71 5.777 -6.898 -7.457 1.00 1.11 C ATOM 1002 O THR A 71 5.808 -5.744 -7.837 1.00 1.39 O ATOM 1003 CB THR A 71 5.094 -8.254 -9.431 1.00 1.26 C ATOM 1004 OG1 THR A 71 4.520 -7.312 -10.324 1.00 1.15 O ATOM 1005 CG2 THR A 71 4.563 -9.651 -9.753 1.00 1.80 C ATOM 0 H THR A 71 3.188 -6.657 -8.824 1.00 1.13 H new ATOM 0 HA THR A 71 4.691 -8.770 -7.379 1.00 1.16 H new ATOM 0 HB THR A 71 6.179 -8.254 -9.539 1.00 1.26 H new ATOM 0 HG1 THR A 71 5.099 -7.210 -11.108 1.00 1.15 H new ATOM 0 HG21 THR A 71 4.828 -9.914 -10.777 1.00 1.80 H new ATOM 0 HG22 THR A 71 5.003 -10.375 -9.067 1.00 1.80 H new ATOM 0 HG23 THR A 71 3.478 -9.662 -9.645 1.00 1.80 H new ATOM 1013 N ALA A 72 6.635 -7.335 -6.578 1.00 0.96 N ATOM 1014 CA ALA A 72 7.662 -6.399 -6.040 1.00 0.87 C ATOM 1015 C ALA A 72 8.784 -7.177 -5.353 1.00 0.81 C ATOM 1016 O ALA A 72 8.589 -7.793 -4.324 1.00 0.85 O ATOM 1017 CB ALA A 72 7.009 -5.454 -5.030 1.00 0.81 C ATOM 0 H ALA A 72 6.671 -8.287 -6.212 1.00 0.96 H new ATOM 0 HA ALA A 72 8.083 -5.826 -6.866 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.759 -4.769 -4.635 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.220 -4.885 -5.522 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.582 -6.034 -4.212 1.00 0.81 H new ATOM 1023 N SER A 73 9.965 -7.137 -5.908 1.00 0.75 N ATOM 1024 CA SER A 73 11.108 -7.854 -5.279 1.00 0.72 C ATOM 1025 C SER A 73 11.998 -6.831 -4.574 1.00 0.64 C ATOM 1026 O SER A 73 12.480 -5.893 -5.178 1.00 0.84 O ATOM 1027 CB SER A 73 11.915 -8.585 -6.352 1.00 0.82 C ATOM 1028 OG SER A 73 12.767 -7.658 -7.011 1.00 0.93 O ATOM 0 H SER A 73 10.187 -6.638 -6.770 1.00 0.75 H new ATOM 0 HA SER A 73 10.737 -8.584 -4.560 1.00 0.72 H new ATOM 0 HB2 SER A 73 12.506 -9.382 -5.900 1.00 0.82 H new ATOM 0 HB3 SER A 73 11.244 -9.055 -7.071 1.00 0.82 H new ATOM 0 HG SER A 73 12.567 -6.751 -6.698 1.00 0.93 H new ATOM 1034 N ALA A 74 12.212 -6.996 -3.299 1.00 0.66 N ATOM 1035 CA ALA A 74 13.061 -6.023 -2.557 1.00 0.59 C ATOM 1036 C ALA A 74 14.507 -6.517 -2.527 1.00 0.61 C ATOM 1037 O ALA A 74 14.773 -7.676 -2.280 1.00 0.67 O ATOM 1038 CB ALA A 74 12.540 -5.885 -1.125 1.00 0.59 C ATOM 0 H ALA A 74 11.836 -7.761 -2.739 1.00 0.66 H new ATOM 0 HA ALA A 74 13.022 -5.055 -3.056 1.00 0.59 H new ATOM 0 HB1 ALA A 74 13.160 -5.173 -0.579 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.510 -5.529 -1.145 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.579 -6.855 -0.629 1.00 0.59 H new ATOM 1044 N THR A 75 15.446 -5.646 -2.778 1.00 0.62 N ATOM 1045 CA THR A 75 16.873 -6.058 -2.768 1.00 0.72 C ATOM 1046 C THR A 75 17.728 -4.949 -2.138 1.00 0.72 C ATOM 1047 O THR A 75 17.875 -3.888 -2.714 1.00 0.74 O ATOM 1048 CB THR A 75 17.324 -6.277 -4.211 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.570 -5.434 -5.069 1.00 0.86 O ATOM 1050 CG2 THR A 75 17.102 -7.738 -4.606 1.00 0.97 C ATOM 0 H THR A 75 15.282 -4.662 -2.990 1.00 0.62 H new ATOM 0 HA THR A 75 16.989 -6.974 -2.189 1.00 0.72 H new ATOM 0 HB THR A 75 18.384 -6.039 -4.300 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.857 -5.570 -5.996 1.00 0.86 H new ATOM 0 HG21 THR A 75 17.425 -7.890 -5.636 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.679 -8.385 -3.946 1.00 0.97 H new ATOM 0 HG23 THR A 75 16.043 -7.982 -4.518 1.00 0.97 H new ATOM 1058 N PRO A 76 18.301 -5.173 -0.978 1.00 0.77 N ATOM 1059 CA PRO A 76 18.169 -6.449 -0.205 1.00 0.83 C ATOM 1060 C PRO A 76 16.731 -6.710 0.248 1.00 0.73 C ATOM 1061 O PRO A 76 15.784 -6.439 -0.461 1.00 0.68 O ATOM 1062 CB PRO A 76 19.070 -6.242 1.020 1.00 0.97 C ATOM 1063 CG PRO A 76 19.952 -5.083 0.690 1.00 1.02 C ATOM 1064 CD PRO A 76 19.161 -4.210 -0.278 1.00 0.85 C ATOM 0 HA PRO A 76 18.448 -7.309 -0.814 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.476 -6.039 1.911 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.660 -7.135 1.226 1.00 0.97 H new ATOM 0 HG2 PRO A 76 20.217 -4.527 1.589 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.885 -5.420 0.238 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.575 -3.456 0.248 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.817 -3.680 -0.969 1.00 0.85 H new ATOM 1072 N ASP A 77 16.563 -7.233 1.429 1.00 0.81 N ATOM 1073 CA ASP A 77 15.188 -7.513 1.932 1.00 0.76 C ATOM 1074 C ASP A 77 14.793 -6.461 2.971 1.00 0.72 C ATOM 1075 O ASP A 77 15.628 -5.918 3.667 1.00 0.78 O ATOM 1076 CB ASP A 77 15.153 -8.900 2.576 1.00 0.91 C ATOM 1077 CG ASP A 77 16.181 -9.807 1.896 1.00 1.09 C ATOM 1078 OD1 ASP A 77 16.264 -9.766 0.680 1.00 1.30 O ATOM 1079 OD2 ASP A 77 16.869 -10.524 2.604 1.00 1.75 O ATOM 0 H ASP A 77 17.318 -7.479 2.069 1.00 0.81 H new ATOM 0 HA ASP A 77 14.487 -7.479 1.098 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.369 -8.823 3.642 1.00 0.91 H new ATOM 0 HB3 ASP A 77 14.156 -9.330 2.483 1.00 0.91 H new ATOM 1084 N MET A 78 13.524 -6.175 3.083 1.00 0.75 N ATOM 1085 CA MET A 78 13.070 -5.162 4.078 1.00 0.87 C ATOM 1086 C MET A 78 11.573 -4.893 3.882 1.00 0.89 C ATOM 1087 O MET A 78 11.040 -5.071 2.804 1.00 0.93 O ATOM 1088 CB MET A 78 13.879 -3.868 3.890 1.00 1.01 C ATOM 1089 CG MET A 78 12.966 -2.712 3.462 1.00 1.19 C ATOM 1090 SD MET A 78 13.975 -1.266 3.052 1.00 1.83 S ATOM 1091 CE MET A 78 14.723 -1.040 4.684 1.00 2.16 C ATOM 0 H MET A 78 12.781 -6.600 2.528 1.00 0.75 H new ATOM 0 HA MET A 78 13.230 -5.534 5.090 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.385 -3.612 4.821 1.00 1.01 H new ATOM 0 HB3 MET A 78 14.653 -4.024 3.138 1.00 1.01 H new ATOM 0 HG2 MET A 78 12.367 -3.007 2.600 1.00 1.19 H new ATOM 0 HG3 MET A 78 12.270 -2.468 4.265 1.00 1.19 H new ATOM 0 HE1 MET A 78 14.647 0.007 4.977 1.00 2.16 H new ATOM 0 HE2 MET A 78 14.200 -1.660 5.413 1.00 2.16 H new ATOM 0 HE3 MET A 78 15.773 -1.331 4.647 1.00 2.16 H new ATOM 1101 N PRO A 79 10.904 -4.463 4.918 1.00 0.96 N ATOM 1102 CA PRO A 79 9.447 -4.155 4.866 1.00 1.04 C ATOM 1103 C PRO A 79 9.163 -2.822 4.166 1.00 1.13 C ATOM 1104 O PRO A 79 9.880 -1.857 4.338 1.00 1.28 O ATOM 1105 CB PRO A 79 9.043 -4.079 6.338 1.00 1.12 C ATOM 1106 CG PRO A 79 10.284 -3.677 7.064 1.00 1.38 C ATOM 1107 CD PRO A 79 11.465 -4.224 6.258 1.00 1.11 C ATOM 0 HA PRO A 79 8.893 -4.903 4.298 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.245 -3.352 6.490 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.672 -5.040 6.695 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.346 -2.592 7.153 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.287 -4.080 8.077 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.289 -3.511 6.224 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.856 -5.142 6.696 1.00 1.11 H new ATOM 1115 N VAL A 80 8.124 -2.761 3.380 1.00 1.13 N ATOM 1116 CA VAL A 80 7.799 -1.490 2.674 1.00 1.31 C ATOM 1117 C VAL A 80 6.500 -0.909 3.241 1.00 1.45 C ATOM 1118 O VAL A 80 5.901 -1.466 4.138 1.00 1.98 O ATOM 1119 CB VAL A 80 7.626 -1.764 1.179 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.832 -2.551 0.662 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.353 -2.582 0.955 1.00 1.79 C ATOM 0 H VAL A 80 7.486 -3.536 3.196 1.00 1.13 H new ATOM 0 HA VAL A 80 8.610 -0.777 2.820 1.00 1.31 H new ATOM 0 HB VAL A 80 7.551 -0.818 0.643 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.709 -2.747 -0.403 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.741 -1.971 0.822 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.906 -3.497 1.198 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.229 -2.778 -0.110 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.429 -3.528 1.491 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.492 -2.024 1.324 1.00 1.79 H new ATOM 1131 N ARG A 81 6.063 0.207 2.725 1.00 1.48 N ATOM 1132 CA ARG A 81 4.806 0.822 3.238 1.00 1.84 C ATOM 1133 C ARG A 81 3.825 1.024 2.081 1.00 2.04 C ATOM 1134 O ARG A 81 4.217 1.209 0.946 1.00 2.57 O ATOM 1135 CB ARG A 81 5.124 2.173 3.880 1.00 2.24 C ATOM 1136 CG ARG A 81 5.508 1.964 5.347 1.00 2.95 C ATOM 1137 CD ARG A 81 5.937 3.300 5.956 1.00 4.04 C ATOM 1138 NE ARG A 81 7.238 3.136 6.671 1.00 4.81 N ATOM 1139 CZ ARG A 81 7.457 2.094 7.429 1.00 5.14 C ATOM 1140 NH1 ARG A 81 6.512 1.218 7.634 1.00 4.94 N ATOM 1141 NH2 ARG A 81 8.620 1.941 8.001 1.00 6.01 N ATOM 0 H ARG A 81 6.521 0.719 1.971 1.00 1.48 H new ATOM 0 HA ARG A 81 4.358 0.163 3.982 1.00 1.84 H new ATOM 0 HB2 ARG A 81 5.940 2.659 3.345 1.00 2.24 H new ATOM 0 HB3 ARG A 81 4.260 2.833 3.810 1.00 2.24 H new ATOM 0 HG2 ARG A 81 4.663 1.554 5.901 1.00 2.95 H new ATOM 0 HG3 ARG A 81 6.320 1.240 5.422 1.00 2.95 H new ATOM 0 HD2 ARG A 81 6.034 4.052 5.173 1.00 4.04 H new ATOM 0 HD3 ARG A 81 5.174 3.656 6.648 1.00 4.04 H new ATOM 0 HE ARG A 81 7.964 3.845 6.567 1.00 4.81 H new ATOM 0 HH11 ARG A 81 5.597 1.345 7.202 1.00 4.94 H new ATOM 0 HH12 ARG A 81 6.688 0.407 8.226 1.00 4.94 H new ATOM 0 HH21 ARG A 81 9.355 2.633 7.856 1.00 6.01 H new ATOM 0 HH22 ARG A 81 8.794 1.129 8.593 1.00 6.01 H new ATOM 1155 N VAL A 82 2.551 0.992 2.361 1.00 2.00 N ATOM 1156 CA VAL A 82 1.543 1.182 1.281 1.00 2.41 C ATOM 1157 C VAL A 82 0.248 1.729 1.881 1.00 1.99 C ATOM 1158 O VAL A 82 -0.043 1.529 3.043 1.00 1.85 O ATOM 1159 CB VAL A 82 1.265 -0.161 0.606 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.054 -1.236 1.674 1.00 3.76 C ATOM 1161 CG2 VAL A 82 0.007 -0.049 -0.257 1.00 3.57 C ATOM 0 H VAL A 82 2.164 0.842 3.293 1.00 2.00 H new ATOM 0 HA VAL A 82 1.927 1.888 0.545 1.00 2.41 H new ATOM 0 HB VAL A 82 2.114 -0.433 -0.022 1.00 3.05 H new ATOM 0 HG11 VAL A 82 0.856 -2.193 1.192 1.00 3.76 H new ATOM 0 HG12 VAL A 82 1.950 -1.318 2.290 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.206 -0.963 2.302 1.00 3.76 H new ATOM 0 HG21 VAL A 82 -0.191 -1.007 -0.738 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.842 0.224 0.370 1.00 3.57 H new ATOM 0 HG23 VAL A 82 0.156 0.716 -1.019 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.536 2.419 1.097 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.813 2.975 1.628 1.00 1.82 C ATOM 1173 C LEU A 83 -2.839 3.084 0.498 1.00 1.64 C ATOM 1174 O LEU A 83 -2.512 3.425 -0.621 1.00 1.78 O ATOM 1175 CB LEU A 83 -1.562 4.363 2.220 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.770 5.210 1.222 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.677 6.293 0.636 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.412 5.868 1.939 1.00 1.42 C ATOM 0 H LEU A 83 -0.348 2.621 0.115 1.00 2.02 H new ATOM 0 HA LEU A 83 -2.197 2.312 2.403 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -2.510 4.848 2.452 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -1.011 4.276 3.157 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.401 4.573 0.418 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -1.112 6.896 -0.075 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.519 5.825 0.126 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -2.047 6.931 1.439 1.00 1.99 H new ATOM 0 HD21 LEU A 83 0.978 6.472 1.229 1.00 1.42 H new ATOM 0 HD22 LEU A 83 0.042 6.504 2.743 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.060 5.097 2.356 1.00 1.42 H new ATOM 1190 N VAL A 84 -4.082 2.803 0.786 1.00 1.54 N ATOM 1191 CA VAL A 84 -5.132 2.894 -0.270 1.00 1.53 C ATOM 1192 C VAL A 84 -6.490 3.179 0.377 1.00 1.46 C ATOM 1193 O VAL A 84 -6.774 2.727 1.469 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.216 1.573 -1.037 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.644 1.845 -2.479 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.846 0.890 -1.035 1.00 1.84 C ATOM 0 H VAL A 84 -4.415 2.515 1.706 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.872 3.700 -0.956 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.947 0.923 -0.556 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.704 0.903 -3.025 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.620 2.329 -2.484 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.914 2.497 -2.959 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -3.908 -0.051 -1.582 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.114 1.541 -1.514 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.539 0.693 -0.008 1.00 1.84 H new ATOM 1206 N GLY A 85 -7.330 3.920 -0.293 1.00 1.45 N ATOM 1207 CA GLY A 85 -8.672 4.230 0.276 1.00 1.49 C ATOM 1208 C GLY A 85 -9.099 5.636 -0.153 1.00 1.17 C ATOM 1209 O GLY A 85 -9.013 5.995 -1.310 1.00 1.15 O ATOM 0 H GLY A 85 -7.144 4.324 -1.211 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -9.402 3.497 -0.067 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -8.641 4.164 1.364 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.559 6.435 0.771 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.988 7.817 0.414 1.00 1.19 C ATOM 1215 C GLU A 86 -8.799 8.770 0.551 1.00 1.21 C ATOM 1216 O GLU A 86 -8.074 8.735 1.526 1.00 1.63 O ATOM 1217 CB GLU A 86 -11.112 8.262 1.353 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.528 8.587 2.729 1.00 1.42 C ATOM 1219 CD GLU A 86 -11.666 8.857 3.716 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -12.493 9.701 3.418 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -11.689 8.213 4.753 1.00 2.54 O ATOM 0 H GLU A 86 -9.656 6.191 1.757 1.00 1.14 H new ATOM 0 HA GLU A 86 -10.349 7.832 -0.614 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.617 9.137 0.944 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.860 7.474 1.441 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -9.916 7.757 3.081 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -9.876 9.458 2.663 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.593 9.622 -0.414 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.450 10.575 -0.335 1.00 1.38 C ATOM 1230 C GLY A 87 -7.980 12.006 -0.227 1.00 1.20 C ATOM 1231 O GLY A 87 -8.261 12.650 -1.218 1.00 1.26 O ATOM 0 H GLY A 87 -9.166 9.700 -1.254 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.828 10.341 0.529 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -6.819 10.476 -1.218 1.00 1.38 H new ATOM 1235 N GLY A 88 -8.119 12.509 0.969 1.00 1.34 N ATOM 1236 CA GLY A 88 -8.632 13.899 1.138 1.00 1.52 C ATOM 1237 C GLY A 88 -9.014 14.129 2.601 1.00 2.23 C ATOM 1238 O GLY A 88 -9.872 13.460 3.142 1.00 2.54 O ATOM 0 H GLY A 88 -7.900 12.018 1.836 1.00 1.34 H new ATOM 0 HA2 GLY A 88 -7.872 14.618 0.833 1.00 1.52 H new ATOM 0 HA3 GLY A 88 -9.498 14.059 0.496 1.00 1.52 H new ATOM 1242 N GLY A 89 -8.386 15.074 3.247 1.00 2.99 N ATOM 1243 CA GLY A 89 -8.714 15.347 4.675 1.00 4.09 C ATOM 1244 C GLY A 89 -8.886 14.025 5.424 1.00 4.14 C ATOM 1245 O GLY A 89 -9.923 13.395 5.361 1.00 4.12 O ATOM 0 H GLY A 89 -7.660 15.669 2.847 1.00 2.99 H new ATOM 0 HA2 GLY A 89 -7.921 15.936 5.135 1.00 4.09 H new ATOM 0 HA3 GLY A 89 -9.628 15.936 4.742 1.00 4.09 H new ATOM 1249 N ALA A 90 -7.878 13.600 6.135 1.00 4.51 N ATOM 1250 CA ALA A 90 -7.985 12.319 6.888 1.00 4.73 C ATOM 1251 C ALA A 90 -7.695 11.148 5.946 1.00 4.02 C ATOM 1252 O ALA A 90 -8.595 10.495 5.457 1.00 4.41 O ATOM 1253 CB ALA A 90 -9.398 12.178 7.456 1.00 5.13 C ATOM 0 H ALA A 90 -6.985 14.084 6.227 1.00 4.51 H new ATOM 0 HA ALA A 90 -7.263 12.316 7.705 1.00 4.73 H new ATOM 0 HB1 ALA A 90 -9.477 11.241 8.007 1.00 5.13 H new ATOM 0 HB2 ALA A 90 -9.605 13.012 8.127 1.00 5.13 H new ATOM 0 HB3 ALA A 90 -10.120 12.181 6.640 1.00 5.13 H new ATOM 1259 N TYR A 91 -6.445 10.878 5.688 1.00 3.40 N ATOM 1260 CA TYR A 91 -6.099 9.750 4.778 1.00 3.18 C ATOM 1261 C TYR A 91 -6.652 8.444 5.351 1.00 2.90 C ATOM 1262 O TYR A 91 -6.524 7.392 4.755 1.00 3.43 O ATOM 1263 CB TYR A 91 -4.577 9.647 4.650 1.00 4.00 C ATOM 1264 CG TYR A 91 -4.018 10.980 4.214 1.00 4.34 C ATOM 1265 CD1 TYR A 91 -4.471 11.577 3.031 1.00 4.89 C ATOM 1266 CD2 TYR A 91 -3.044 11.619 4.992 1.00 4.40 C ATOM 1267 CE1 TYR A 91 -3.952 12.813 2.627 1.00 5.40 C ATOM 1268 CE2 TYR A 91 -2.525 12.854 4.587 1.00 4.78 C ATOM 1269 CZ TYR A 91 -2.979 13.451 3.405 1.00 5.25 C ATOM 1270 OH TYR A 91 -2.467 14.669 3.006 1.00 5.79 O ATOM 0 H TYR A 91 -5.648 11.390 6.068 1.00 3.40 H new ATOM 0 HA TYR A 91 -6.535 9.929 3.795 1.00 3.18 H new ATOM 0 HB2 TYR A 91 -4.140 9.352 5.604 1.00 4.00 H new ATOM 0 HB3 TYR A 91 -4.313 8.876 3.926 1.00 4.00 H new ATOM 0 HD1 TYR A 91 -5.221 11.084 2.430 1.00 4.89 H new ATOM 0 HD2 TYR A 91 -2.694 11.159 5.904 1.00 4.40 H new ATOM 0 HE1 TYR A 91 -4.302 13.274 1.715 1.00 5.40 H new ATOM 0 HE2 TYR A 91 -1.774 13.347 5.187 1.00 4.78 H new ATOM 0 HH TYR A 91 -1.803 14.974 3.659 1.00 5.79 H new ATOM 1280 N ARG A 92 -7.266 8.501 6.501 1.00 2.28 N ATOM 1281 CA ARG A 92 -7.826 7.261 7.110 1.00 2.12 C ATOM 1282 C ARG A 92 -8.367 6.349 6.007 1.00 1.84 C ATOM 1283 O ARG A 92 -8.802 6.806 4.969 1.00 2.05 O ATOM 1284 CB ARG A 92 -8.960 7.631 8.068 1.00 2.02 C ATOM 1285 CG ARG A 92 -9.764 8.794 7.483 1.00 2.72 C ATOM 1286 CD ARG A 92 -10.978 9.073 8.371 1.00 3.19 C ATOM 1287 NE ARG A 92 -10.524 9.341 9.765 1.00 4.00 N ATOM 1288 CZ ARG A 92 -11.339 9.889 10.622 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -12.552 10.205 10.260 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -10.941 10.124 11.844 1.00 5.74 N ATOM 0 H ARG A 92 -7.404 9.352 7.045 1.00 2.28 H new ATOM 0 HA ARG A 92 -7.042 6.740 7.659 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -9.610 6.771 8.229 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -8.553 7.909 9.040 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -9.138 9.684 7.414 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -10.088 8.553 6.471 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -11.533 9.929 7.987 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -11.656 8.220 8.356 1.00 3.19 H new ATOM 0 HE ARG A 92 -9.575 9.096 10.048 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -12.863 10.023 9.306 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -13.189 10.634 10.931 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -9.992 9.879 12.127 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -11.579 10.553 12.515 1.00 5.74 H new ATOM 1304 N THR A 93 -8.343 5.063 6.223 1.00 1.67 N ATOM 1305 CA THR A 93 -8.856 4.122 5.187 1.00 1.74 C ATOM 1306 C THR A 93 -8.789 2.690 5.714 1.00 1.95 C ATOM 1307 O THR A 93 -8.627 2.454 6.895 1.00 2.27 O ATOM 1308 CB THR A 93 -7.991 4.218 3.927 1.00 1.70 C ATOM 1309 OG1 THR A 93 -8.138 3.029 3.167 1.00 2.15 O ATOM 1310 CG2 THR A 93 -6.523 4.395 4.320 1.00 1.74 C ATOM 0 H THR A 93 -7.990 4.622 7.073 1.00 1.67 H new ATOM 0 HA THR A 93 -9.887 4.386 4.952 1.00 1.74 H new ATOM 0 HB THR A 93 -8.309 5.075 3.333 1.00 1.70 H new ATOM 0 HG1 THR A 93 -7.382 2.940 2.550 1.00 2.15 H new ATOM 0 HG21 THR A 93 -5.911 4.463 3.420 1.00 1.74 H new ATOM 0 HG22 THR A 93 -6.410 5.308 4.905 1.00 1.74 H new ATOM 0 HG23 THR A 93 -6.200 3.541 4.915 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.898 1.734 4.835 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.825 0.313 5.260 1.00 2.71 C ATOM 1320 C ALA A 94 -7.511 -0.281 4.753 1.00 2.70 C ATOM 1321 O ALA A 94 -6.986 -1.221 5.315 1.00 3.18 O ATOM 1322 CB ALA A 94 -10.003 -0.462 4.666 1.00 3.28 C ATOM 0 H ALA A 94 -9.035 1.879 3.835 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.869 0.246 6.347 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.948 -1.505 4.979 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.939 -0.027 5.017 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.963 -0.407 3.578 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.969 0.264 3.694 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.685 -0.272 3.164 1.00 2.32 C ATOM 1330 C PHE A 95 -4.525 0.485 3.811 1.00 1.89 C ATOM 1331 O PHE A 95 -3.520 0.754 3.183 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.638 -0.070 1.651 1.00 2.74 C ATOM 1333 CG PHE A 95 -4.839 -1.177 1.003 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -3.724 -1.720 1.655 1.00 3.27 C ATOM 1335 CD2 PHE A 95 -5.212 -1.656 -0.258 1.00 3.34 C ATOM 1336 CE1 PHE A 95 -2.984 -2.739 1.043 1.00 3.55 C ATOM 1337 CE2 PHE A 95 -4.473 -2.676 -0.868 1.00 3.65 C ATOM 1338 CZ PHE A 95 -3.358 -3.217 -0.218 1.00 3.60 C ATOM 0 H PHE A 95 -7.359 1.052 3.178 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.607 -1.335 3.392 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.650 -0.057 1.247 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -5.190 0.896 1.419 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.436 -1.353 2.629 1.00 3.27 H new ATOM 0 HD2 PHE A 95 -6.071 -1.238 -0.761 1.00 3.34 H new ATOM 0 HE1 PHE A 95 -2.124 -3.157 1.545 1.00 3.55 H new ATOM 0 HE2 PHE A 95 -4.763 -3.046 -1.840 1.00 3.65 H new ATOM 0 HZ PHE A 95 -2.786 -4.003 -0.689 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.656 0.844 5.057 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.558 1.592 5.728 1.00 2.11 C ATOM 1350 C GLU A 96 -2.565 0.601 6.341 1.00 1.99 C ATOM 1351 O GLU A 96 -2.120 0.765 7.459 1.00 2.04 O ATOM 1352 CB GLU A 96 -4.141 2.478 6.831 1.00 2.46 C ATOM 1353 CG GLU A 96 -3.303 3.751 6.959 1.00 3.05 C ATOM 1354 CD GLU A 96 -3.464 4.599 5.696 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -2.712 4.381 4.761 1.00 4.04 O ATOM 1356 OE2 GLU A 96 -4.337 5.452 5.686 1.00 4.60 O ATOM 0 H GLU A 96 -5.472 0.653 5.638 1.00 1.92 H new ATOM 0 HA GLU A 96 -3.045 2.215 4.996 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -5.175 2.732 6.599 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -4.150 1.939 7.778 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -3.618 4.320 7.834 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -2.254 3.495 7.106 1.00 3.05 H new ATOM 1363 N GLN A 97 -2.215 -0.426 5.617 1.00 2.12 N ATOM 1364 CA GLN A 97 -1.254 -1.425 6.157 1.00 2.35 C ATOM 1365 C GLN A 97 0.114 -1.212 5.501 1.00 2.76 C ATOM 1366 O GLN A 97 0.279 -1.397 4.312 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.775 -2.837 5.857 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.622 -3.749 5.430 1.00 2.67 C ATOM 1369 CD GLN A 97 -1.065 -5.210 5.519 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -1.953 -5.542 6.279 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -0.480 -6.104 4.769 1.00 3.46 N ATOM 0 H GLN A 97 -2.554 -0.616 4.674 1.00 2.12 H new ATOM 0 HA GLN A 97 -1.153 -1.305 7.236 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -2.264 -3.247 6.741 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.526 -2.795 5.068 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -0.316 -3.513 4.411 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.244 -3.581 6.070 1.00 2.67 H new ATOM 0 HE21 GLN A 97 0.265 -5.826 4.131 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -0.768 -7.081 4.821 1.00 3.46 H new ATOM 1380 N GLY A 98 1.096 -0.822 6.268 1.00 2.66 N ATOM 1381 CA GLY A 98 2.448 -0.595 5.687 1.00 3.12 C ATOM 1382 C GLY A 98 3.363 -1.768 6.046 1.00 2.94 C ATOM 1383 O GLY A 98 4.567 -1.695 5.901 1.00 3.67 O ATOM 0 H GLY A 98 1.020 -0.651 7.271 1.00 2.66 H new ATOM 0 HA2 GLY A 98 2.377 -0.494 4.604 1.00 3.12 H new ATOM 0 HA3 GLY A 98 2.867 0.336 6.068 1.00 3.12 H new ATOM 1387 N SER A 99 2.801 -2.849 6.513 1.00 2.31 N ATOM 1388 CA SER A 99 3.639 -4.024 6.880 1.00 2.54 C ATOM 1389 C SER A 99 3.743 -4.972 5.683 1.00 2.05 C ATOM 1390 O SER A 99 3.284 -6.096 5.728 1.00 1.87 O ATOM 1391 CB SER A 99 2.997 -4.758 8.058 1.00 3.04 C ATOM 1392 OG SER A 99 3.497 -4.222 9.275 1.00 3.79 O ATOM 0 H SER A 99 1.798 -2.969 6.656 1.00 2.31 H new ATOM 0 HA SER A 99 4.636 -3.686 7.162 1.00 2.54 H new ATOM 0 HB2 SER A 99 1.913 -4.653 8.019 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.216 -5.824 8.000 1.00 3.04 H new ATOM 0 HG SER A 99 3.086 -4.690 10.032 1.00 3.79 H new ATOM 1398 N ALA A 100 4.343 -4.527 4.614 1.00 1.96 N ATOM 1399 CA ALA A 100 4.478 -5.402 3.415 1.00 1.63 C ATOM 1400 C ALA A 100 5.922 -5.906 3.320 1.00 1.41 C ATOM 1401 O ALA A 100 6.806 -5.186 2.898 1.00 1.39 O ATOM 1402 CB ALA A 100 4.134 -4.598 2.159 1.00 1.76 C ATOM 0 H ALA A 100 4.746 -3.595 4.518 1.00 1.96 H new ATOM 0 HA ALA A 100 3.799 -6.250 3.500 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.232 -5.236 1.281 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.109 -4.233 2.230 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.815 -3.752 2.071 1.00 1.76 H new ATOM 1408 N PRO A 101 6.167 -7.130 3.714 1.00 1.67 N ATOM 1409 CA PRO A 101 7.532 -7.725 3.677 1.00 1.70 C ATOM 1410 C PRO A 101 7.934 -8.180 2.271 1.00 1.06 C ATOM 1411 O PRO A 101 7.276 -8.999 1.660 1.00 1.45 O ATOM 1412 CB PRO A 101 7.426 -8.925 4.618 1.00 2.69 C ATOM 1413 CG PRO A 101 5.989 -9.329 4.592 1.00 2.97 C ATOM 1414 CD PRO A 101 5.173 -8.082 4.238 1.00 2.35 C ATOM 0 HA PRO A 101 8.295 -7.004 3.970 1.00 1.70 H new ATOM 0 HB2 PRO A 101 8.069 -9.741 4.287 1.00 2.69 H new ATOM 0 HB3 PRO A 101 7.741 -8.661 5.628 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.824 -10.117 3.858 1.00 2.97 H new ATOM 0 HG3 PRO A 101 5.684 -9.726 5.560 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.407 -8.306 3.495 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.661 -7.681 5.113 1.00 2.35 H new ATOM 1422 N LEU A 102 9.014 -7.657 1.757 1.00 0.99 N ATOM 1423 CA LEU A 102 9.464 -8.060 0.395 1.00 1.10 C ATOM 1424 C LEU A 102 10.928 -8.500 0.455 1.00 0.93 C ATOM 1425 O LEU A 102 11.770 -7.813 0.999 1.00 1.33 O ATOM 1426 CB LEU A 102 9.326 -6.873 -0.560 1.00 2.00 C ATOM 1427 CG LEU A 102 7.845 -6.529 -0.739 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.701 -5.401 -1.762 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.093 -7.764 -1.238 1.00 2.31 C ATOM 0 H LEU A 102 9.604 -6.967 2.222 1.00 0.99 H new ATOM 0 HA LEU A 102 8.849 -8.886 0.037 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.865 -6.011 -0.166 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.773 -7.115 -1.524 1.00 2.00 H new ATOM 0 HG LEU A 102 7.430 -6.208 0.216 1.00 2.39 H new ATOM 0 HD11 LEU A 102 6.646 -5.157 -1.889 1.00 3.06 H new ATOM 0 HD12 LEU A 102 8.238 -4.520 -1.410 1.00 3.06 H new ATOM 0 HD13 LEU A 102 8.117 -5.721 -2.717 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.038 -7.521 -1.366 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.510 -8.083 -2.193 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.194 -8.570 -0.511 1.00 2.31 H new ATOM 1441 N THR A 103 11.239 -9.641 -0.096 1.00 1.21 N ATOM 1442 CA THR A 103 12.649 -10.121 -0.066 1.00 1.09 C ATOM 1443 C THR A 103 13.164 -10.291 -1.497 1.00 1.38 C ATOM 1444 O THR A 103 12.458 -10.044 -2.454 1.00 1.81 O ATOM 1445 CB THR A 103 12.715 -11.467 0.662 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.931 -12.122 0.333 1.00 2.04 O ATOM 1447 CG2 THR A 103 11.530 -12.336 0.237 1.00 2.34 C ATOM 0 H THR A 103 10.579 -10.261 -0.565 1.00 1.21 H new ATOM 0 HA THR A 103 13.268 -9.392 0.458 1.00 1.09 H new ATOM 0 HB THR A 103 12.673 -11.302 1.739 1.00 1.79 H new ATOM 0 HG1 THR A 103 13.976 -12.983 0.799 1.00 2.04 H new ATOM 0 HG21 THR A 103 11.577 -13.294 0.755 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.598 -11.831 0.492 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.569 -12.503 -0.839 1.00 2.34 H new ATOM 1455 N GLY A 104 14.389 -10.712 -1.650 1.00 1.62 N ATOM 1456 CA GLY A 104 14.950 -10.898 -3.019 1.00 2.17 C ATOM 1457 C GLY A 104 14.216 -12.044 -3.719 1.00 1.60 C ATOM 1458 O GLY A 104 14.735 -12.664 -4.625 1.00 1.83 O ATOM 0 H GLY A 104 15.027 -10.936 -0.886 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.845 -9.979 -3.595 1.00 2.17 H new ATOM 0 HA3 GLY A 104 16.016 -11.117 -2.960 1.00 2.17 H new ATOM 1462 N GLU A 105 13.010 -12.328 -3.306 1.00 1.22 N ATOM 1463 CA GLU A 105 12.243 -13.432 -3.948 1.00 1.09 C ATOM 1464 C GLU A 105 11.056 -12.846 -4.716 1.00 1.06 C ATOM 1465 O GLU A 105 9.994 -12.638 -4.164 1.00 1.08 O ATOM 1466 CB GLU A 105 11.731 -14.389 -2.870 1.00 1.40 C ATOM 1467 CG GLU A 105 10.990 -15.553 -3.530 1.00 1.95 C ATOM 1468 CD GLU A 105 9.487 -15.270 -3.527 1.00 2.43 C ATOM 1469 OE1 GLU A 105 8.983 -14.856 -2.495 1.00 2.75 O ATOM 1470 OE2 GLU A 105 8.864 -15.469 -4.557 1.00 3.02 O ATOM 0 H GLU A 105 12.524 -11.843 -2.552 1.00 1.22 H new ATOM 0 HA GLU A 105 12.891 -13.974 -4.637 1.00 1.09 H new ATOM 0 HB2 GLU A 105 12.565 -14.765 -2.277 1.00 1.40 H new ATOM 0 HB3 GLU A 105 11.066 -13.861 -2.187 1.00 1.40 H new ATOM 0 HG2 GLU A 105 11.343 -15.689 -4.552 1.00 1.95 H new ATOM 0 HG3 GLU A 105 11.197 -16.480 -2.995 1.00 1.95 H new ATOM 1477 N PRO A 106 11.237 -12.580 -5.981 1.00 1.08 N ATOM 1478 CA PRO A 106 10.165 -12.006 -6.844 1.00 1.12 C ATOM 1479 C PRO A 106 8.836 -12.747 -6.687 1.00 1.24 C ATOM 1480 O PRO A 106 8.733 -13.925 -6.966 1.00 1.42 O ATOM 1481 CB PRO A 106 10.709 -12.175 -8.263 1.00 1.26 C ATOM 1482 CG PRO A 106 12.195 -12.214 -8.115 1.00 1.20 C ATOM 1483 CD PRO A 106 12.484 -12.800 -6.732 1.00 1.13 C ATOM 0 HA PRO A 106 9.947 -10.970 -6.583 1.00 1.12 H new ATOM 0 HB2 PRO A 106 10.335 -13.091 -8.721 1.00 1.26 H new ATOM 0 HB3 PRO A 106 10.399 -11.349 -8.904 1.00 1.26 H new ATOM 0 HG2 PRO A 106 12.646 -12.826 -8.896 1.00 1.20 H new ATOM 0 HG3 PRO A 106 12.620 -11.214 -8.208 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.732 -13.860 -6.792 1.00 1.13 H new ATOM 0 HD3 PRO A 106 13.329 -12.302 -6.257 1.00 1.13 H new ATOM 1491 N ALA A 107 7.816 -12.065 -6.243 1.00 1.17 N ATOM 1492 CA ALA A 107 6.493 -12.728 -6.068 1.00 1.31 C ATOM 1493 C ALA A 107 5.412 -11.663 -5.879 1.00 1.24 C ATOM 1494 O ALA A 107 5.698 -10.522 -5.574 1.00 1.04 O ATOM 1495 CB ALA A 107 6.537 -13.635 -4.836 1.00 1.37 C ATOM 0 H ALA A 107 7.842 -11.076 -5.994 1.00 1.17 H new ATOM 0 HA ALA A 107 6.265 -13.325 -6.951 1.00 1.31 H new ATOM 0 HB1 ALA A 107 5.570 -14.121 -4.707 1.00 1.37 H new ATOM 0 HB2 ALA A 107 7.309 -14.393 -4.970 1.00 1.37 H new ATOM 0 HB3 ALA A 107 6.764 -13.038 -3.953 1.00 1.37 H new ATOM 1501 N THR A 108 4.171 -12.024 -6.061 1.00 1.45 N ATOM 1502 CA THR A 108 3.073 -11.032 -5.894 1.00 1.43 C ATOM 1503 C THR A 108 2.566 -11.054 -4.451 1.00 1.38 C ATOM 1504 O THR A 108 2.519 -12.091 -3.819 1.00 1.47 O ATOM 1505 CB THR A 108 1.911 -11.390 -6.825 1.00 1.60 C ATOM 1506 OG1 THR A 108 1.883 -12.797 -7.018 1.00 1.72 O ATOM 1507 CG2 THR A 108 2.080 -10.696 -8.177 1.00 1.66 C ATOM 0 H THR A 108 3.871 -12.964 -6.318 1.00 1.45 H new ATOM 0 HA THR A 108 3.456 -10.041 -6.136 1.00 1.43 H new ATOM 0 HB THR A 108 0.977 -11.057 -6.372 1.00 1.60 H new ATOM 0 HG1 THR A 108 1.140 -13.031 -7.612 1.00 1.72 H new ATOM 0 HG21 THR A 108 1.247 -10.960 -8.828 1.00 1.66 H new ATOM 0 HG22 THR A 108 2.099 -9.616 -8.032 1.00 1.66 H new ATOM 0 HG23 THR A 108 3.015 -11.017 -8.636 1.00 1.66 H new ATOM 1515 N ARG A 109 2.148 -9.931 -3.935 1.00 1.33 N ATOM 1516 CA ARG A 109 1.603 -9.918 -2.550 1.00 1.32 C ATOM 1517 C ARG A 109 0.103 -9.672 -2.646 1.00 1.37 C ATOM 1518 O ARG A 109 -0.346 -8.820 -3.387 1.00 1.49 O ATOM 1519 CB ARG A 109 2.235 -8.810 -1.716 1.00 1.27 C ATOM 1520 CG ARG A 109 3.435 -9.363 -0.944 1.00 1.97 C ATOM 1521 CD ARG A 109 4.441 -9.970 -1.922 1.00 2.63 C ATOM 1522 NE ARG A 109 4.893 -8.927 -2.883 1.00 3.48 N ATOM 1523 CZ ARG A 109 5.970 -9.118 -3.593 1.00 3.74 C ATOM 1524 NH1 ARG A 109 6.660 -10.217 -3.448 1.00 3.39 N ATOM 1525 NH2 ARG A 109 6.360 -8.212 -4.447 1.00 4.70 N ATOM 0 H ARG A 109 2.160 -9.028 -4.409 1.00 1.33 H new ATOM 0 HA ARG A 109 1.824 -10.870 -2.067 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.552 -7.992 -2.362 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.501 -8.401 -1.021 1.00 1.27 H new ATOM 0 HG2 ARG A 109 3.908 -8.567 -0.368 1.00 1.97 H new ATOM 0 HG3 ARG A 109 3.104 -10.119 -0.231 1.00 1.97 H new ATOM 0 HD2 ARG A 109 5.295 -10.373 -1.378 1.00 2.63 H new ATOM 0 HD3 ARG A 109 3.985 -10.801 -2.460 1.00 2.63 H new ATOM 0 HE ARG A 109 4.360 -8.063 -2.986 1.00 3.48 H new ATOM 0 HH11 ARG A 109 6.356 -10.925 -2.780 1.00 3.39 H new ATOM 0 HH12 ARG A 109 7.503 -10.367 -4.003 1.00 3.39 H new ATOM 0 HH21 ARG A 109 5.822 -7.353 -4.560 1.00 4.70 H new ATOM 0 HH22 ARG A 109 7.203 -8.363 -5.002 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.669 -10.418 -1.916 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.147 -10.250 -1.986 1.00 1.51 C ATOM 1541 C GLU A 110 -2.694 -9.737 -0.653 1.00 1.50 C ATOM 1542 O GLU A 110 -2.864 -10.487 0.288 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.790 -11.602 -2.303 1.00 1.79 C ATOM 1544 CG GLU A 110 -2.907 -11.772 -3.819 1.00 2.12 C ATOM 1545 CD GLU A 110 -1.519 -12.016 -4.415 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -0.751 -11.070 -4.481 1.00 3.28 O ATOM 1547 OE2 GLU A 110 -1.249 -13.143 -4.794 1.00 2.69 O ATOM 0 H GLU A 110 -0.343 -11.139 -1.272 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.382 -9.526 -2.766 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -2.190 -12.409 -1.882 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.776 -11.664 -1.843 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -3.566 -12.608 -4.052 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -3.353 -10.882 -4.262 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.999 -8.472 -0.574 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.565 -7.925 0.687 1.00 1.81 C ATOM 1556 C TYR A 111 -5.034 -7.576 0.448 1.00 2.14 C ATOM 1557 O TYR A 111 -5.362 -6.799 -0.427 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.807 -6.665 1.116 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.316 -6.921 1.148 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.805 -8.100 1.709 1.00 1.82 C ATOM 1561 CD2 TYR A 111 -0.441 -5.962 0.625 1.00 2.76 C ATOM 1562 CE1 TYR A 111 0.578 -8.318 1.741 1.00 2.00 C ATOM 1563 CE2 TYR A 111 0.942 -6.180 0.658 1.00 2.96 C ATOM 1564 CZ TYR A 111 1.451 -7.358 1.215 1.00 2.36 C ATOM 1565 OH TYR A 111 2.814 -7.572 1.250 1.00 2.67 O ATOM 0 H TYR A 111 -2.881 -7.795 -1.328 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.472 -8.670 1.477 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -3.026 -5.850 0.426 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -3.148 -6.348 2.102 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.478 -8.840 2.116 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -0.833 -5.052 0.195 1.00 2.76 H new ATOM 0 HE1 TYR A 111 0.971 -9.227 2.172 1.00 2.00 H new ATOM 0 HE2 TYR A 111 1.615 -5.439 0.254 1.00 2.96 H new ATOM 0 HH TYR A 111 2.999 -8.436 1.673 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.923 -8.152 1.210 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.367 -7.858 1.017 1.00 2.71 C ATOM 1577 C ALA A 112 -7.929 -7.185 2.271 1.00 2.50 C ATOM 1578 O ALA A 112 -7.692 -7.622 3.380 1.00 2.65 O ATOM 1579 CB ALA A 112 -8.124 -9.162 0.755 1.00 3.41 C ATOM 0 H ALA A 112 -5.710 -8.813 1.957 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.487 -7.190 0.164 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -9.183 -8.946 0.614 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.728 -9.639 -0.142 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -8.001 -9.831 1.606 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.675 -6.130 2.102 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.256 -5.433 3.283 1.00 2.20 C ATOM 1587 C PHE A 113 -10.783 -5.482 3.198 1.00 1.67 C ATOM 1588 O PHE A 113 -11.347 -5.768 2.161 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.791 -3.976 3.302 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.547 -3.503 1.889 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -7.515 -4.067 1.132 1.00 2.65 C ATOM 1592 CD2 PHE A 113 -9.351 -2.498 1.339 1.00 2.38 C ATOM 1593 CE1 PHE A 113 -7.286 -3.628 -0.178 1.00 2.77 C ATOM 1594 CE2 PHE A 113 -9.124 -2.059 0.029 1.00 2.44 C ATOM 1595 CZ PHE A 113 -8.091 -2.623 -0.729 1.00 2.64 C ATOM 0 H PHE A 113 -8.908 -5.720 1.197 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.924 -5.927 4.196 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -9.544 -3.350 3.781 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.878 -3.883 3.890 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -6.894 -4.841 1.558 1.00 2.65 H new ATOM 0 HD2 PHE A 113 -10.146 -2.061 1.925 1.00 2.38 H new ATOM 0 HE1 PHE A 113 -6.490 -4.064 -0.763 1.00 2.77 H new ATOM 0 HE2 PHE A 113 -9.746 -1.285 -0.397 1.00 2.44 H new ATOM 0 HZ PHE A 113 -7.915 -2.283 -1.739 1.00 2.64 H new ATOM 1605 N THR A 114 -11.455 -5.210 4.282 1.00 1.53 N ATOM 1606 CA THR A 114 -12.942 -5.246 4.264 1.00 1.47 C ATOM 1607 C THR A 114 -13.492 -3.818 4.258 1.00 1.85 C ATOM 1608 O THR A 114 -13.484 -3.136 5.263 1.00 2.23 O ATOM 1609 CB THR A 114 -13.444 -5.980 5.509 1.00 1.92 C ATOM 1610 OG1 THR A 114 -12.518 -5.794 6.570 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.582 -7.472 5.205 1.00 2.22 C ATOM 0 H THR A 114 -11.037 -4.964 5.180 1.00 1.53 H new ATOM 0 HA THR A 114 -13.282 -5.766 3.369 1.00 1.47 H new ATOM 0 HB THR A 114 -14.416 -5.581 5.799 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.838 -6.262 7.369 1.00 2.12 H new ATOM 0 HG21 THR A 114 -13.940 -7.993 6.093 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.293 -7.613 4.391 1.00 2.22 H new ATOM 0 HG23 THR A 114 -12.612 -7.875 4.914 1.00 2.22 H new ATOM 1619 N SER A 115 -13.973 -3.362 3.133 1.00 2.24 N ATOM 1620 CA SER A 115 -14.527 -1.981 3.064 1.00 2.93 C ATOM 1621 C SER A 115 -15.235 -1.655 4.381 1.00 3.67 C ATOM 1622 O SER A 115 -16.296 -2.170 4.672 1.00 4.11 O ATOM 1623 CB SER A 115 -15.522 -1.891 1.907 1.00 3.21 C ATOM 1624 OG SER A 115 -16.723 -2.558 2.268 1.00 4.06 O ATOM 0 H SER A 115 -14.006 -3.887 2.259 1.00 2.24 H new ATOM 0 HA SER A 115 -13.719 -1.267 2.901 1.00 2.93 H new ATOM 0 HB2 SER A 115 -15.729 -0.847 1.671 1.00 3.21 H new ATOM 0 HB3 SER A 115 -15.097 -2.343 1.011 1.00 3.21 H new ATOM 0 HG SER A 115 -16.608 -2.990 3.140 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.651 -0.806 5.184 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.287 -0.451 6.485 1.00 4.70 C ATOM 1632 C ASN A 116 -16.281 0.693 6.278 1.00 4.40 C ATOM 1633 O ASN A 116 -17.441 0.590 6.626 1.00 4.82 O ATOM 1634 CB ASN A 116 -14.207 -0.014 7.476 1.00 5.27 C ATOM 1635 CG ASN A 116 -14.868 0.551 8.735 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -15.414 -0.185 9.531 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -14.840 1.838 8.950 1.00 6.86 N ATOM 0 H ASN A 116 -13.762 -0.344 4.995 1.00 3.92 H new ATOM 0 HA ASN A 116 -15.814 -1.320 6.878 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -13.572 -0.861 7.735 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -13.564 0.739 7.021 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -15.277 2.225 9.787 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -14.381 2.457 8.281 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.839 1.784 5.716 1.00 3.81 N ATOM 1645 CA LEU A 117 -16.763 2.932 5.492 1.00 3.59 C ATOM 1646 C LEU A 117 -17.012 3.112 3.994 1.00 3.13 C ATOM 1647 O LEU A 117 -16.830 2.202 3.210 1.00 3.28 O ATOM 1648 CB LEU A 117 -16.140 4.207 6.059 1.00 3.83 C ATOM 1649 CG LEU A 117 -17.175 4.938 6.916 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -16.464 5.966 7.786 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -18.184 5.646 6.010 1.00 4.76 C ATOM 0 H LEU A 117 -14.879 1.930 5.402 1.00 3.81 H new ATOM 0 HA LEU A 117 -17.710 2.733 5.994 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -15.263 3.962 6.658 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -15.802 4.852 5.248 1.00 3.83 H new ATOM 0 HG LEU A 117 -17.700 4.221 7.547 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -17.196 6.491 8.400 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -15.744 5.462 8.431 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -15.942 6.682 7.151 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -18.921 6.166 6.622 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -17.663 6.366 5.379 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -18.688 4.911 5.383 1.00 4.76 H new ATOM 1663 N THR A 118 -17.427 4.282 3.592 1.00 3.12 N ATOM 1664 CA THR A 118 -17.691 4.526 2.149 1.00 3.08 C ATOM 1665 C THR A 118 -16.739 5.609 1.634 1.00 3.13 C ATOM 1666 O THR A 118 -16.321 6.480 2.370 1.00 3.70 O ATOM 1667 CB THR A 118 -19.136 4.996 1.977 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.547 5.689 3.147 1.00 4.06 O ATOM 1669 CG2 THR A 118 -20.046 3.787 1.752 1.00 4.04 C ATOM 0 H THR A 118 -17.595 5.081 4.204 1.00 3.12 H new ATOM 0 HA THR A 118 -17.534 3.607 1.585 1.00 3.08 H new ATOM 0 HB THR A 118 -19.202 5.661 1.116 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.472 5.993 3.039 1.00 4.06 H new ATOM 0 HG21 THR A 118 -21.075 4.124 1.630 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.729 3.255 0.855 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.983 3.119 2.611 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.394 5.560 0.377 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.469 6.587 -0.181 1.00 3.07 C ATOM 1679 C PHE A 119 -15.563 6.585 -1.707 1.00 2.72 C ATOM 1680 O PHE A 119 -14.677 6.113 -2.392 1.00 2.65 O ATOM 1681 CB PHE A 119 -14.034 6.267 0.246 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.949 6.254 1.753 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -14.062 7.451 2.471 1.00 4.69 C ATOM 1684 CD2 PHE A 119 -13.758 5.045 2.433 1.00 4.47 C ATOM 1685 CE1 PHE A 119 -13.983 7.439 3.869 1.00 5.33 C ATOM 1686 CE2 PHE A 119 -13.680 5.033 3.832 1.00 5.10 C ATOM 1687 CZ PHE A 119 -13.792 6.230 4.549 1.00 5.44 C ATOM 0 H PHE A 119 -16.712 4.854 -0.287 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.748 7.571 0.196 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.731 5.299 -0.154 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.348 7.009 -0.161 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -14.210 8.383 1.946 1.00 4.69 H new ATOM 0 HD2 PHE A 119 -13.671 4.122 1.879 1.00 4.47 H new ATOM 0 HE1 PHE A 119 -14.069 8.362 4.423 1.00 5.33 H new ATOM 0 HE2 PHE A 119 -13.534 4.101 4.357 1.00 5.10 H new ATOM 0 HZ PHE A 119 -13.731 6.221 5.627 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.636 7.111 -2.231 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.867 7.181 -3.703 1.00 2.86 C ATOM 1699 C PRO A 120 -15.708 7.865 -4.434 1.00 3.02 C ATOM 1700 O PRO A 120 -14.851 8.472 -3.822 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.148 8.008 -3.842 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.837 7.913 -2.521 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.748 7.700 -1.471 1.00 3.80 C ATOM 0 HA PRO A 120 -16.946 6.188 -4.145 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -17.920 9.044 -4.091 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.779 7.620 -4.641 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -19.402 8.822 -2.313 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.548 7.087 -2.514 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -17.457 8.639 -1.000 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -18.085 7.036 -0.675 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.683 7.768 -5.737 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.616 8.384 -6.571 1.00 3.45 C ATOM 1713 C PRO A 121 -14.857 9.878 -6.803 1.00 3.18 C ATOM 1714 O PRO A 121 -13.973 10.605 -7.210 1.00 3.79 O ATOM 1715 CB PRO A 121 -14.710 7.616 -7.890 1.00 3.90 C ATOM 1716 CG PRO A 121 -16.134 7.175 -7.990 1.00 3.47 C ATOM 1717 CD PRO A 121 -16.673 7.056 -6.561 1.00 2.74 C ATOM 0 HA PRO A 121 -13.637 8.322 -6.097 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -14.434 8.249 -8.734 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.033 6.762 -7.897 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -16.720 7.893 -8.564 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -16.205 6.219 -8.509 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.662 7.505 -6.471 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -16.767 6.013 -6.257 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.049 10.340 -6.546 1.00 2.63 N ATOM 1726 CA ASP A 122 -16.349 11.786 -6.751 1.00 2.65 C ATOM 1727 C ASP A 122 -16.571 12.457 -5.395 1.00 2.94 C ATOM 1728 O ASP A 122 -15.667 12.569 -4.591 1.00 3.74 O ATOM 1729 CB ASP A 122 -17.610 11.930 -7.605 1.00 2.79 C ATOM 1730 CG ASP A 122 -18.779 11.230 -6.912 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -18.914 10.029 -7.089 1.00 3.56 O ATOM 1732 OD2 ASP A 122 -19.521 11.904 -6.217 1.00 4.14 O ATOM 0 H ASP A 122 -16.829 9.779 -6.203 1.00 2.63 H new ATOM 0 HA ASP A 122 -15.511 12.263 -7.259 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -17.841 12.984 -7.755 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -17.445 11.496 -8.591 1.00 2.79 H new ATOM 1737 N GLY A 123 -17.769 12.903 -5.132 1.00 2.81 N ATOM 1738 CA GLY A 123 -18.049 13.565 -3.828 1.00 3.57 C ATOM 1739 C GLY A 123 -16.833 14.385 -3.396 1.00 3.16 C ATOM 1740 O GLY A 123 -16.489 15.375 -4.011 1.00 3.47 O ATOM 0 H GLY A 123 -18.566 12.837 -5.765 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -18.922 14.211 -3.917 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -18.282 12.816 -3.071 1.00 3.57 H new ATOM 1744 N ASP A 124 -16.177 13.981 -2.342 1.00 2.78 N ATOM 1745 CA ASP A 124 -14.983 14.739 -1.872 1.00 2.58 C ATOM 1746 C ASP A 124 -13.783 14.403 -2.758 1.00 2.15 C ATOM 1747 O ASP A 124 -13.655 14.900 -3.860 1.00 2.31 O ATOM 1748 CB ASP A 124 -14.672 14.353 -0.424 1.00 3.01 C ATOM 1749 CG ASP A 124 -15.543 15.180 0.524 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -15.626 16.381 0.324 1.00 3.59 O ATOM 1751 OD2 ASP A 124 -16.111 14.600 1.434 1.00 3.51 O ATOM 0 H ASP A 124 -16.416 13.160 -1.787 1.00 2.78 H new ATOM 0 HA ASP A 124 -15.187 15.808 -1.928 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -14.859 13.290 -0.272 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -13.617 14.525 -0.209 1.00 3.01 H new ATOM 1756 N ALA A 125 -12.900 13.565 -2.288 1.00 1.83 N ATOM 1757 CA ALA A 125 -11.708 13.200 -3.104 1.00 1.67 C ATOM 1758 C ALA A 125 -11.923 11.823 -3.734 1.00 1.39 C ATOM 1759 O ALA A 125 -12.644 10.997 -3.210 1.00 1.38 O ATOM 1760 CB ALA A 125 -10.469 13.163 -2.208 1.00 2.08 C ATOM 0 H ALA A 125 -12.953 13.117 -1.373 1.00 1.83 H new ATOM 0 HA ALA A 125 -11.566 13.941 -3.891 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -9.597 12.896 -2.804 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -10.315 14.144 -1.759 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -10.611 12.422 -1.421 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.298 11.582 -4.855 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.413 10.286 -5.582 1.00 1.14 C ATOM 1768 C PRO A 126 -10.667 9.155 -4.869 1.00 1.05 C ATOM 1769 O PRO A 126 -10.408 9.218 -3.684 1.00 1.36 O ATOM 1770 CB PRO A 126 -10.775 10.572 -6.942 1.00 1.27 C ATOM 1771 CG PRO A 126 -9.837 11.711 -6.712 1.00 1.31 C ATOM 1772 CD PRO A 126 -10.411 12.527 -5.552 1.00 1.39 C ATOM 0 HA PRO A 126 -12.448 9.951 -5.650 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -10.245 9.697 -7.318 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -11.531 10.830 -7.684 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -8.838 11.347 -6.472 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -9.746 12.324 -7.609 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -9.623 12.894 -4.894 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -10.959 13.399 -5.910 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.320 8.119 -5.583 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.593 6.984 -4.947 1.00 1.03 C ATOM 1782 C GLY A 127 -8.126 7.363 -4.747 1.00 1.09 C ATOM 1783 O GLY A 127 -7.634 8.310 -5.328 1.00 1.19 O ATOM 0 H GLY A 127 -10.509 8.010 -6.579 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.050 6.738 -3.988 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.667 6.095 -5.573 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.420 6.629 -3.930 1.00 1.12 N ATOM 1788 CA GLN A 128 -5.983 6.948 -3.698 1.00 1.26 C ATOM 1789 C GLN A 128 -5.188 5.648 -3.565 1.00 1.11 C ATOM 1790 O GLN A 128 -5.503 4.791 -2.765 1.00 1.11 O ATOM 1791 CB GLN A 128 -5.840 7.774 -2.417 1.00 1.53 C ATOM 1792 CG GLN A 128 -6.348 6.963 -1.222 1.00 1.64 C ATOM 1793 CD GLN A 128 -5.171 6.586 -0.320 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -5.154 5.519 0.261 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -4.180 7.424 -0.176 1.00 1.99 N ATOM 0 H GLN A 128 -7.776 5.824 -3.414 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.598 7.523 -4.540 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -4.796 8.050 -2.265 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.405 8.702 -2.506 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -7.079 7.544 -0.659 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -6.856 6.063 -1.570 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -4.194 8.320 -0.664 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -3.391 7.183 0.424 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.153 5.499 -4.344 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.327 4.263 -4.266 1.00 0.91 C ATOM 1806 C VAL A 129 -1.855 4.654 -4.377 1.00 0.88 C ATOM 1807 O VAL A 129 -1.307 4.739 -5.456 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.696 3.324 -5.418 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -3.016 1.970 -5.211 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -5.213 3.132 -5.454 1.00 0.89 C ATOM 0 H VAL A 129 -3.843 6.183 -5.034 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.508 3.753 -3.320 1.00 0.91 H new ATOM 0 HB VAL A 129 -3.362 3.758 -6.361 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -3.279 1.302 -6.031 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -1.935 2.106 -5.186 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -3.349 1.536 -4.268 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -5.476 2.464 -6.274 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.547 2.699 -4.511 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.698 4.097 -5.602 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.219 4.916 -3.268 1.00 0.78 N ATOM 1821 CA ALA A 130 0.211 5.329 -3.314 1.00 0.85 C ATOM 1822 C ALA A 130 1.099 4.250 -2.693 1.00 0.75 C ATOM 1823 O ALA A 130 0.948 3.891 -1.542 1.00 0.73 O ATOM 1824 CB ALA A 130 0.378 6.635 -2.535 1.00 0.98 C ATOM 0 H ALA A 130 -1.627 4.862 -2.335 1.00 0.78 H new ATOM 0 HA ALA A 130 0.508 5.471 -4.353 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.423 6.945 -2.564 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.243 7.409 -2.986 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.073 6.483 -1.500 1.00 0.98 H new ATOM 1830 N PHE A 131 2.039 3.748 -3.446 1.00 0.75 N ATOM 1831 CA PHE A 131 2.957 2.709 -2.900 1.00 0.70 C ATOM 1832 C PHE A 131 4.091 3.411 -2.152 1.00 0.77 C ATOM 1833 O PHE A 131 4.854 4.158 -2.731 1.00 0.99 O ATOM 1834 CB PHE A 131 3.537 1.883 -4.051 1.00 0.70 C ATOM 1835 CG PHE A 131 2.567 0.794 -4.438 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.196 0.955 -4.202 1.00 1.49 C ATOM 1837 CD2 PHE A 131 3.040 -0.381 -5.037 1.00 1.29 C ATOM 1838 CE1 PHE A 131 0.299 -0.058 -4.564 1.00 1.73 C ATOM 1839 CE2 PHE A 131 2.144 -1.393 -5.399 1.00 1.54 C ATOM 1840 CZ PHE A 131 0.773 -1.232 -5.163 1.00 1.48 C ATOM 0 H PHE A 131 2.211 4.013 -4.416 1.00 0.75 H new ATOM 0 HA PHE A 131 2.415 2.047 -2.225 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.736 2.526 -4.908 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.490 1.445 -3.753 1.00 0.70 H new ATOM 0 HD1 PHE A 131 0.830 1.860 -3.741 1.00 1.49 H new ATOM 0 HD2 PHE A 131 4.097 -0.506 -5.219 1.00 1.29 H new ATOM 0 HE1 PHE A 131 -0.758 0.066 -4.381 1.00 1.73 H new ATOM 0 HE2 PHE A 131 2.510 -2.298 -5.860 1.00 1.54 H new ATOM 0 HZ PHE A 131 0.081 -2.013 -5.443 1.00 1.48 H new ATOM 1850 N HIS A 132 4.204 3.192 -0.871 1.00 0.82 N ATOM 1851 CA HIS A 132 5.282 3.869 -0.096 1.00 0.96 C ATOM 1852 C HIS A 132 6.459 2.912 0.112 1.00 1.03 C ATOM 1853 O HIS A 132 6.327 1.866 0.716 1.00 1.41 O ATOM 1854 CB HIS A 132 4.735 4.300 1.267 1.00 1.41 C ATOM 1855 CG HIS A 132 4.027 5.619 1.127 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.796 6.453 2.210 1.00 1.70 N ATOM 1857 CD2 HIS A 132 3.493 6.265 0.039 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.149 7.541 1.756 1.00 1.96 C ATOM 1859 NE2 HIS A 132 2.940 7.478 0.439 1.00 2.32 N ATOM 0 H HIS A 132 3.599 2.576 -0.329 1.00 0.82 H new ATOM 0 HA HIS A 132 5.624 4.743 -0.651 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.049 3.545 1.651 1.00 1.41 H new ATOM 0 HB3 HIS A 132 5.549 4.386 1.987 1.00 1.41 H new ATOM 0 HD2 HIS A 132 3.501 5.889 -0.973 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.837 8.365 2.380 1.00 1.96 H new ATOM 0 HE2 HIS A 132 2.475 8.170 -0.148 1.00 2.32 H new ATOM 1867 N LEU A 133 7.612 3.270 -0.383 1.00 1.00 N ATOM 1868 CA LEU A 133 8.804 2.392 -0.215 1.00 1.39 C ATOM 1869 C LEU A 133 10.017 3.247 0.163 1.00 1.62 C ATOM 1870 O LEU A 133 11.102 2.742 0.369 1.00 2.04 O ATOM 1871 CB LEU A 133 9.085 1.657 -1.525 1.00 1.58 C ATOM 1872 CG LEU A 133 7.898 1.831 -2.473 1.00 1.41 C ATOM 1873 CD1 LEU A 133 7.903 3.249 -3.045 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.009 0.820 -3.617 1.00 2.11 C ATOM 0 H LEU A 133 7.780 4.135 -0.898 1.00 1.00 H new ATOM 0 HA LEU A 133 8.612 1.665 0.574 1.00 1.39 H new ATOM 0 HB2 LEU A 133 9.992 2.048 -1.986 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.257 0.598 -1.331 1.00 1.58 H new ATOM 0 HG LEU A 133 6.970 1.664 -1.927 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.056 3.372 -3.721 1.00 1.52 H new ATOM 0 HD12 LEU A 133 7.825 3.970 -2.231 1.00 1.52 H new ATOM 0 HD13 LEU A 133 8.831 3.418 -3.592 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.164 0.942 -4.294 1.00 2.11 H new ATOM 0 HD22 LEU A 133 8.938 0.988 -4.162 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.005 -0.191 -3.210 1.00 2.11 H new ATOM 1886 N GLY A 134 9.842 4.537 0.257 1.00 1.46 N ATOM 1887 CA GLY A 134 10.986 5.421 0.624 1.00 1.77 C ATOM 1888 C GLY A 134 11.406 5.130 2.065 1.00 1.08 C ATOM 1889 O GLY A 134 10.582 5.012 2.948 1.00 0.83 O ATOM 0 H GLY A 134 8.957 5.017 0.096 1.00 1.46 H new ATOM 0 HA2 GLY A 134 11.824 5.251 -0.053 1.00 1.77 H new ATOM 0 HA3 GLY A 134 10.700 6.468 0.521 1.00 1.77 H new ATOM 1893 N LYS A 135 12.683 5.015 2.311 1.00 1.23 N ATOM 1894 CA LYS A 135 13.151 4.728 3.696 1.00 1.09 C ATOM 1895 C LYS A 135 14.657 4.965 3.786 1.00 1.32 C ATOM 1896 O LYS A 135 15.422 4.453 2.993 1.00 1.76 O ATOM 1897 CB LYS A 135 12.851 3.268 4.054 1.00 1.93 C ATOM 1898 CG LYS A 135 11.465 3.147 4.696 1.00 2.37 C ATOM 1899 CD LYS A 135 11.420 1.901 5.582 1.00 3.36 C ATOM 1900 CE LYS A 135 11.336 0.651 4.704 1.00 4.04 C ATOM 1901 NZ LYS A 135 12.107 -0.455 5.338 1.00 5.06 N ATOM 0 H LYS A 135 13.421 5.107 1.613 1.00 1.23 H new ATOM 0 HA LYS A 135 12.631 5.388 4.391 1.00 1.09 H new ATOM 0 HB2 LYS A 135 12.898 2.650 3.157 1.00 1.93 H new ATOM 0 HB3 LYS A 135 13.610 2.892 4.740 1.00 1.93 H new ATOM 0 HG2 LYS A 135 11.248 4.036 5.289 1.00 2.37 H new ATOM 0 HG3 LYS A 135 10.699 3.085 3.923 1.00 2.37 H new ATOM 0 HD2 LYS A 135 12.309 1.857 6.211 1.00 3.36 H new ATOM 0 HD3 LYS A 135 10.559 1.948 6.249 1.00 3.36 H new ATOM 0 HE2 LYS A 135 10.295 0.355 4.574 1.00 4.04 H new ATOM 0 HE3 LYS A 135 11.734 0.863 3.712 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 12.675 -0.941 4.615 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 12.736 -0.065 6.069 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 11.449 -1.132 5.773 1.00 5.06 H new ATOM 1915 N ALA A 136 15.096 5.726 4.751 1.00 1.56 N ATOM 1916 CA ALA A 136 16.557 5.960 4.879 1.00 1.90 C ATOM 1917 C ALA A 136 17.248 4.603 4.786 1.00 2.22 C ATOM 1918 O ALA A 136 18.383 4.490 4.367 1.00 2.64 O ATOM 1919 CB ALA A 136 16.865 6.611 6.230 1.00 2.27 C ATOM 0 H ALA A 136 14.512 6.190 5.447 1.00 1.56 H new ATOM 0 HA ALA A 136 16.910 6.626 4.092 1.00 1.90 H new ATOM 0 HB1 ALA A 136 17.938 6.779 6.316 1.00 2.27 H new ATOM 0 HB2 ALA A 136 16.341 7.564 6.302 1.00 2.27 H new ATOM 0 HB3 ALA A 136 16.535 5.954 7.034 1.00 2.27 H new ATOM 1925 N GLY A 137 16.544 3.570 5.157 1.00 2.17 N ATOM 1926 CA GLY A 137 17.114 2.199 5.077 1.00 2.51 C ATOM 1927 C GLY A 137 16.495 1.492 3.873 1.00 1.81 C ATOM 1928 O GLY A 137 16.617 0.294 3.715 1.00 2.11 O ATOM 0 H GLY A 137 15.590 3.619 5.515 1.00 2.17 H new ATOM 0 HA2 GLY A 137 18.198 2.244 4.975 1.00 2.51 H new ATOM 0 HA3 GLY A 137 16.903 1.646 5.992 1.00 2.51 H new ATOM 1932 N ALA A 138 15.820 2.237 3.033 1.00 1.23 N ATOM 1933 CA ALA A 138 15.172 1.644 1.825 1.00 1.37 C ATOM 1934 C ALA A 138 16.157 0.745 1.070 1.00 1.13 C ATOM 1935 O ALA A 138 17.041 0.146 1.645 1.00 1.41 O ATOM 1936 CB ALA A 138 14.703 2.774 0.907 1.00 2.32 C ATOM 0 H ALA A 138 15.690 3.243 3.135 1.00 1.23 H new ATOM 0 HA ALA A 138 14.322 1.038 2.139 1.00 1.37 H new ATOM 0 HB1 ALA A 138 14.228 2.350 0.022 1.00 2.32 H new ATOM 0 HB2 ALA A 138 13.987 3.401 1.438 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.559 3.377 0.606 1.00 2.32 H new ATOM 1942 N TYR A 139 16.009 0.632 -0.221 1.00 0.82 N ATOM 1943 CA TYR A 139 16.935 -0.250 -0.988 1.00 0.75 C ATOM 1944 C TYR A 139 16.584 -0.238 -2.479 1.00 0.76 C ATOM 1945 O TYR A 139 16.702 0.768 -3.149 1.00 0.83 O ATOM 1946 CB TYR A 139 16.830 -1.677 -0.445 1.00 0.74 C ATOM 1947 CG TYR A 139 15.385 -2.095 -0.246 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.322 -1.356 -0.795 1.00 1.41 C ATOM 1949 CD2 TYR A 139 15.111 -3.248 0.503 1.00 1.42 C ATOM 1950 CE1 TYR A 139 13.001 -1.772 -0.591 1.00 1.42 C ATOM 1951 CE2 TYR A 139 13.789 -3.661 0.703 1.00 1.61 C ATOM 1952 CZ TYR A 139 12.734 -2.923 0.156 1.00 1.11 C ATOM 1953 OH TYR A 139 11.431 -3.328 0.356 1.00 1.32 O ATOM 0 H TYR A 139 15.295 1.106 -0.774 1.00 0.82 H new ATOM 0 HA TYR A 139 17.954 0.119 -0.872 1.00 0.75 H new ATOM 0 HB2 TYR A 139 17.317 -2.366 -1.135 1.00 0.74 H new ATOM 0 HB3 TYR A 139 17.363 -1.746 0.503 1.00 0.74 H new ATOM 0 HD1 TYR A 139 14.525 -0.467 -1.374 1.00 1.41 H new ATOM 0 HD2 TYR A 139 15.923 -3.820 0.927 1.00 1.42 H new ATOM 0 HE1 TYR A 139 12.186 -1.202 -1.012 1.00 1.42 H new ATOM 0 HE2 TYR A 139 13.583 -4.550 1.280 1.00 1.61 H new ATOM 0 HH TYR A 139 11.408 -4.034 1.035 1.00 1.32 H new ATOM 1963 N GLU A 140 16.153 -1.357 -3.001 1.00 0.80 N ATOM 1964 CA GLU A 140 15.790 -1.421 -4.445 1.00 0.87 C ATOM 1965 C GLU A 140 14.345 -1.907 -4.581 1.00 0.77 C ATOM 1966 O GLU A 140 13.888 -2.741 -3.824 1.00 0.73 O ATOM 1967 CB GLU A 140 16.726 -2.395 -5.165 1.00 1.13 C ATOM 1968 CG GLU A 140 18.096 -1.742 -5.353 1.00 0.93 C ATOM 1969 CD GLU A 140 18.855 -2.460 -6.472 1.00 0.94 C ATOM 1970 OE1 GLU A 140 18.272 -3.339 -7.086 1.00 1.65 O ATOM 1971 OE2 GLU A 140 20.004 -2.116 -6.696 1.00 1.25 O ATOM 0 H GLU A 140 16.037 -2.230 -2.487 1.00 0.80 H new ATOM 0 HA GLU A 140 15.887 -0.431 -4.890 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.826 -3.314 -4.588 1.00 1.13 H new ATOM 0 HB3 GLU A 140 16.307 -2.670 -6.133 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.977 -0.687 -5.599 1.00 0.93 H new ATOM 0 HG3 GLU A 140 18.664 -1.791 -4.424 1.00 0.93 H new ATOM 1978 N PHE A 141 13.619 -1.389 -5.534 1.00 0.77 N ATOM 1979 CA PHE A 141 12.201 -1.815 -5.710 1.00 0.75 C ATOM 1980 C PHE A 141 11.975 -2.276 -7.153 1.00 0.72 C ATOM 1981 O PHE A 141 12.168 -1.527 -8.090 1.00 0.73 O ATOM 1982 CB PHE A 141 11.283 -0.631 -5.401 1.00 0.79 C ATOM 1983 CG PHE A 141 9.876 -1.118 -5.156 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.617 -2.029 -4.125 1.00 1.64 C ATOM 1985 CD2 PHE A 141 8.828 -0.654 -5.959 1.00 1.17 C ATOM 1986 CE1 PHE A 141 8.309 -2.475 -3.897 1.00 1.68 C ATOM 1987 CE2 PHE A 141 7.520 -1.099 -5.732 1.00 1.26 C ATOM 1988 CZ PHE A 141 7.261 -2.011 -4.701 1.00 1.00 C ATOM 0 H PHE A 141 13.947 -0.689 -6.199 1.00 0.77 H new ATOM 0 HA PHE A 141 11.980 -2.640 -5.033 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.649 -0.096 -4.525 1.00 0.79 H new ATOM 0 HB3 PHE A 141 11.293 0.074 -6.232 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.426 -2.388 -3.506 1.00 1.64 H new ATOM 0 HD2 PHE A 141 9.028 0.048 -6.755 1.00 1.17 H new ATOM 0 HE1 PHE A 141 8.109 -3.177 -3.101 1.00 1.68 H new ATOM 0 HE2 PHE A 141 6.712 -0.739 -6.351 1.00 1.26 H new ATOM 0 HZ PHE A 141 6.253 -2.356 -4.526 1.00 1.00 H new ATOM 1998 N CYS A 142 11.568 -3.504 -7.340 1.00 0.70 N ATOM 1999 CA CYS A 142 11.334 -4.010 -8.722 1.00 0.68 C ATOM 2000 C CYS A 142 9.868 -4.421 -8.884 1.00 0.68 C ATOM 2001 O CYS A 142 9.478 -5.514 -8.523 1.00 0.74 O ATOM 2002 CB CYS A 142 12.229 -5.224 -8.970 1.00 0.68 C ATOM 2003 SG CYS A 142 13.811 -4.680 -9.660 1.00 0.72 S ATOM 0 H CYS A 142 11.388 -4.177 -6.595 1.00 0.70 H new ATOM 0 HA CYS A 142 11.568 -3.223 -9.439 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.394 -5.764 -8.037 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.740 -5.915 -9.656 1.00 0.68 H new ATOM 2008 N ILE A 143 9.055 -3.560 -9.432 1.00 0.83 N ATOM 2009 CA ILE A 143 7.617 -3.907 -9.625 1.00 0.89 C ATOM 2010 C ILE A 143 7.358 -4.176 -11.106 1.00 0.92 C ATOM 2011 O ILE A 143 7.891 -3.518 -11.976 1.00 0.91 O ATOM 2012 CB ILE A 143 6.737 -2.754 -9.125 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.671 -2.399 -10.169 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.607 -1.525 -8.858 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.763 -1.299 -9.616 1.00 1.22 C ATOM 0 H ILE A 143 9.324 -2.631 -9.755 1.00 0.83 H new ATOM 0 HA ILE A 143 7.372 -4.803 -9.055 1.00 0.89 H new ATOM 0 HB ILE A 143 6.243 -3.067 -8.206 1.00 0.95 H new ATOM 0 HG12 ILE A 143 6.147 -2.064 -11.091 1.00 1.11 H new ATOM 0 HG13 ILE A 143 5.081 -3.282 -10.417 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.981 -0.706 -8.503 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.354 -1.765 -8.101 1.00 0.92 H new ATOM 0 HG23 ILE A 143 8.107 -1.226 -9.779 1.00 0.92 H new ATOM 0 HD11 ILE A 143 4.005 -1.046 -10.357 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.277 -1.651 -8.706 1.00 1.22 H new ATOM 0 HD13 ILE A 143 5.359 -0.415 -9.390 1.00 1.22 H new ATOM 2027 N SER A 144 6.537 -5.146 -11.390 1.00 1.00 N ATOM 2028 CA SER A 144 6.231 -5.473 -12.808 1.00 1.07 C ATOM 2029 C SER A 144 4.739 -5.776 -12.953 1.00 1.14 C ATOM 2030 O SER A 144 4.253 -6.025 -14.039 1.00 1.33 O ATOM 2031 CB SER A 144 7.043 -6.698 -13.232 1.00 1.17 C ATOM 2032 OG SER A 144 6.498 -7.859 -12.620 1.00 1.28 O ATOM 0 H SER A 144 6.063 -5.728 -10.699 1.00 1.00 H new ATOM 0 HA SER A 144 6.491 -4.625 -13.441 1.00 1.07 H new ATOM 0 HB2 SER A 144 7.025 -6.803 -14.317 1.00 1.17 H new ATOM 0 HB3 SER A 144 8.086 -6.575 -12.941 1.00 1.17 H new ATOM 0 HG SER A 144 7.016 -8.646 -12.891 1.00 1.28 H new ATOM 2038 N GLN A 145 4.005 -5.760 -11.873 1.00 1.08 N ATOM 2039 CA GLN A 145 2.546 -6.054 -11.972 1.00 1.29 C ATOM 2040 C GLN A 145 1.784 -5.336 -10.855 1.00 1.38 C ATOM 2041 O GLN A 145 2.332 -5.001 -9.824 1.00 1.99 O ATOM 2042 CB GLN A 145 2.316 -7.562 -11.851 1.00 1.40 C ATOM 2043 CG GLN A 145 3.321 -8.308 -12.731 1.00 1.94 C ATOM 2044 CD GLN A 145 3.036 -9.809 -12.671 1.00 2.35 C ATOM 2045 OE1 GLN A 145 3.939 -10.604 -12.503 1.00 2.30 O ATOM 2046 NE2 GLN A 145 1.810 -10.233 -12.804 1.00 3.30 N ATOM 0 H GLN A 145 4.348 -5.558 -10.934 1.00 1.08 H new ATOM 0 HA GLN A 145 2.182 -5.702 -12.937 1.00 1.29 H new ATOM 0 HB2 GLN A 145 2.425 -7.874 -10.812 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.299 -7.810 -12.153 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.252 -7.955 -13.760 1.00 1.94 H new ATOM 0 HG3 GLN A 145 4.337 -8.106 -12.392 1.00 1.94 H new ATOM 0 HE21 GLN A 145 1.052 -9.565 -12.945 1.00 3.30 H new ATOM 0 HE22 GLN A 145 1.609 -11.232 -12.767 1.00 3.30 H new ATOM 2055 N VAL A 146 0.515 -5.105 -11.060 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.306 -4.418 -10.026 1.00 1.53 C ATOM 2057 C VAL A 146 -1.787 -4.698 -10.298 1.00 1.48 C ATOM 2058 O VAL A 146 -2.515 -3.847 -10.767 1.00 1.44 O ATOM 2059 CB VAL A 146 -0.045 -2.913 -10.088 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -0.196 -2.423 -11.529 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -1.048 -2.185 -9.192 1.00 2.16 C ATOM 0 H VAL A 146 0.010 -5.366 -11.907 1.00 1.54 H new ATOM 0 HA VAL A 146 -0.041 -4.787 -9.035 1.00 1.53 H new ATOM 0 HB VAL A 146 0.968 -2.707 -9.742 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -0.009 -1.350 -11.570 1.00 2.26 H new ATOM 0 HG12 VAL A 146 0.521 -2.941 -12.166 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.207 -2.629 -11.879 1.00 2.26 H new ATOM 0 HG21 VAL A 146 -0.863 -1.112 -9.236 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -2.061 -2.393 -9.536 1.00 2.16 H new ATOM 0 HG23 VAL A 146 -0.936 -2.531 -8.164 1.00 2.16 H new ATOM 2071 N SER A 147 -2.233 -5.893 -10.015 1.00 1.63 N ATOM 2072 CA SER A 147 -3.659 -6.240 -10.268 1.00 1.76 C ATOM 2073 C SER A 147 -4.552 -5.624 -9.188 1.00 2.04 C ATOM 2074 O SER A 147 -4.164 -5.496 -8.043 1.00 2.17 O ATOM 2075 CB SER A 147 -3.821 -7.761 -10.253 1.00 2.02 C ATOM 2076 OG SER A 147 -2.695 -8.345 -9.614 1.00 2.76 O ATOM 0 H SER A 147 -1.669 -6.645 -9.619 1.00 1.63 H new ATOM 0 HA SER A 147 -3.954 -5.846 -11.241 1.00 1.76 H new ATOM 0 HB2 SER A 147 -4.735 -8.036 -9.727 1.00 2.02 H new ATOM 0 HB3 SER A 147 -3.913 -8.139 -11.271 1.00 2.02 H new ATOM 0 HG SER A 147 -1.957 -8.418 -10.254 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.750 -5.250 -9.548 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.682 -4.649 -8.553 1.00 2.65 C ATOM 2084 C LEU A 148 -8.086 -5.214 -8.777 1.00 2.54 C ATOM 2085 O LEU A 148 -8.790 -4.807 -9.679 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.711 -3.129 -8.734 1.00 3.24 C ATOM 2087 CG LEU A 148 -7.956 -2.558 -8.052 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -8.015 -3.046 -6.604 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -7.890 -1.029 -8.072 1.00 3.26 C ATOM 0 H LEU A 148 -6.124 -5.336 -10.493 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.345 -4.887 -7.544 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -5.813 -2.684 -8.306 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.717 -2.878 -9.795 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.847 -2.892 -8.584 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -8.902 -2.639 -6.119 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -8.060 -4.135 -6.589 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -7.125 -2.712 -6.071 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -8.776 -0.620 -7.587 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -6.999 -0.696 -7.540 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -7.848 -0.680 -9.104 1.00 3.26 H new ATOM 2101 N THR A 149 -8.498 -6.153 -7.970 1.00 2.09 N ATOM 2102 CA THR A 149 -9.855 -6.741 -8.151 1.00 2.24 C ATOM 2103 C THR A 149 -10.414 -7.177 -6.795 1.00 1.93 C ATOM 2104 O THR A 149 -9.804 -6.975 -5.765 1.00 1.84 O ATOM 2105 CB THR A 149 -9.764 -7.956 -9.076 1.00 2.53 C ATOM 2106 OG1 THR A 149 -10.927 -8.756 -8.921 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.525 -8.781 -8.720 1.00 2.42 C ATOM 0 H THR A 149 -7.956 -6.537 -7.196 1.00 2.09 H new ATOM 0 HA THR A 149 -10.515 -5.994 -8.591 1.00 2.24 H new ATOM 0 HB THR A 149 -9.689 -7.619 -10.110 1.00 2.53 H new ATOM 0 HG1 THR A 149 -10.690 -9.594 -8.472 1.00 3.07 H new ATOM 0 HG21 THR A 149 -8.462 -9.646 -9.380 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.632 -8.167 -8.840 1.00 2.42 H new ATOM 0 HG23 THR A 149 -8.597 -9.118 -7.686 1.00 2.42 H new ATOM 2115 N THR A 150 -11.574 -7.777 -6.791 1.00 1.92 N ATOM 2116 CA THR A 150 -12.178 -8.230 -5.507 1.00 1.72 C ATOM 2117 C THR A 150 -12.814 -9.607 -5.706 1.00 1.75 C ATOM 2118 O THR A 150 -12.132 -10.593 -5.910 1.00 2.00 O ATOM 2119 CB THR A 150 -13.252 -7.231 -5.068 1.00 1.59 C ATOM 2120 OG1 THR A 150 -13.988 -7.777 -3.983 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.197 -6.946 -6.237 1.00 1.66 C ATOM 0 H THR A 150 -12.130 -7.973 -7.624 1.00 1.92 H new ATOM 0 HA THR A 150 -11.405 -8.291 -4.741 1.00 1.72 H new ATOM 0 HB THR A 150 -12.777 -6.301 -4.755 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.402 -7.866 -3.202 1.00 1.52 H new ATOM 0 HG21 THR A 150 -14.961 -6.235 -5.922 1.00 1.66 H new ATOM 0 HG22 THR A 150 -13.631 -6.526 -7.069 1.00 1.66 H new ATOM 0 HG23 THR A 150 -14.674 -7.874 -6.554 1.00 1.66 H new ATOM 2129 N SER A 151 -14.115 -9.684 -5.650 1.00 1.64 N ATOM 2130 CA SER A 151 -14.792 -10.999 -5.838 1.00 1.81 C ATOM 2131 C SER A 151 -14.401 -11.943 -4.700 1.00 1.86 C ATOM 2132 O SER A 151 -13.825 -11.534 -3.711 1.00 2.15 O ATOM 2133 CB SER A 151 -14.363 -11.606 -7.174 1.00 1.90 C ATOM 2134 OG SER A 151 -13.995 -12.964 -6.976 1.00 2.03 O ATOM 0 H SER A 151 -14.738 -8.894 -5.482 1.00 1.64 H new ATOM 0 HA SER A 151 -15.872 -10.855 -5.834 1.00 1.81 H new ATOM 0 HB2 SER A 151 -15.178 -11.539 -7.895 1.00 1.90 H new ATOM 0 HB3 SER A 151 -13.524 -11.047 -7.588 1.00 1.90 H new ATOM 0 HG SER A 151 -14.480 -13.530 -7.612 1.00 2.03 H new ATOM 2140 N ALA A 152 -14.708 -13.204 -4.831 1.00 1.82 N ATOM 2141 CA ALA A 152 -14.353 -14.173 -3.756 1.00 2.08 C ATOM 2142 C ALA A 152 -14.591 -15.600 -4.256 1.00 2.21 C ATOM 2143 O ALA A 152 -15.662 -16.153 -4.100 1.00 2.82 O ATOM 2144 CB ALA A 152 -15.225 -13.912 -2.526 1.00 2.46 C ATOM 0 H ALA A 152 -15.189 -13.605 -5.636 1.00 1.82 H new ATOM 0 HA ALA A 152 -13.303 -14.052 -3.490 1.00 2.08 H new ATOM 0 HB1 ALA A 152 -14.966 -14.621 -1.739 1.00 2.46 H new ATOM 0 HB2 ALA A 152 -15.056 -12.896 -2.169 1.00 2.46 H new ATOM 0 HB3 ALA A 152 -16.275 -14.033 -2.792 1.00 2.46 H new ATOM 2150 N THR A 153 -13.600 -16.200 -4.856 1.00 2.13 N ATOM 2151 CA THR A 153 -13.770 -17.591 -5.365 1.00 2.33 C ATOM 2152 C THR A 153 -12.577 -18.443 -4.929 1.00 2.94 C ATOM 2153 O THR A 153 -12.683 -19.657 -4.999 1.00 3.54 O ATOM 2154 CB THR A 153 -13.850 -17.569 -6.893 1.00 2.54 C ATOM 2155 OG1 THR A 153 -15.002 -16.839 -7.294 1.00 2.77 O ATOM 2156 CG2 THR A 153 -13.941 -19.001 -7.422 1.00 3.03 C ATOM 2157 OXT THR A 153 -11.575 -17.868 -4.535 1.00 3.36 O ATOM 0 H THR A 153 -12.681 -15.788 -5.016 1.00 2.13 H new ATOM 0 HA THR A 153 -14.688 -18.017 -4.959 1.00 2.33 H new ATOM 0 HB THR A 153 -12.957 -17.092 -7.297 1.00 2.54 H new ATOM 0 HG1 THR A 153 -15.440 -17.302 -8.038 1.00 2.77 H new ATOM 0 HG21 THR A 153 -13.998 -18.984 -8.510 1.00 3.03 H new ATOM 0 HG22 THR A 153 -13.057 -19.560 -7.114 1.00 3.03 H new ATOM 0 HG23 THR A 153 -14.833 -19.482 -7.020 1.00 3.03 H new TER 2165 THR A 153