USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1060 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 94 ASN : amide:sc= -1.29 K(o=-3.9,f=-3.2) USER MOD Set 1.2: A 102 CYS SG : rot -105:sc= -2.64 USER MOD Set 2.1: A 99 THR OG1 : rot 126:sc= 0.129 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.124 USER MOD Set 3.1: A 70 ASN : amide:sc= -0.77 K(o=-0.72,f=-1.9!) USER MOD Set 3.2: A 74 SER OG : rot 8:sc= 0.0532 USER MOD Set 4.1: A 49 CYS SG : rot 140:sc= -3.89! USER MOD Set 4.2: A 53 LYS NZ :NH3+ 170:sc= -4.63! (180deg=-2.67!) USER MOD Set 4.3: A 107 GLN : amide:sc= -2.17! C(o=-11!,f=-18!) USER MOD Set 5.1: A 42 ASN : amide:sc= 0.167! C(o=-5.6!,f=-8.3!) USER MOD Set 5.2: A 82 ASN : amide:sc= -5.8! C(o=-5.6!,f=-8.3!) USER MOD Set 6.1: A 16 SER OG : rot -64:sc= -0.8 USER MOD Set 6.2: A 19 ASN : amide:sc= -1.89 K(o=-2.7,f=-5.9!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0826 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -5.25! C(o=-5.2!,f=-2.8!) USER MOD Single : A 23 HIS : no HD1:sc= -6.02! C(o=-6!,f=-19!) USER MOD Single : A 25 CYS SG : rot 160:sc= -1.11 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= -1.26 (180deg=-1.4) USER MOD Single : A 36 SER OG : rot 67:sc= 0.979 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -1.27 USER MOD Single : A 48 SER OG : rot -54:sc= 1.08 USER MOD Single : A 52 TYR OH : rot 19:sc= -0.0958 USER MOD Single : A 54 LYS NZ :NH3+ 151:sc= -0.984 (180deg=-1.76) USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= -0.126 (180deg=-0.828) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.32 USER MOD Single : A 64 LYS NZ :NH3+ -113:sc= -1.93 (180deg=-4.32!) USER MOD Single : A 66 LYS NZ :NH3+ 146:sc= -0.0657 (180deg=-0.815) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= -0.0196 (180deg=-0.318) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.0915 USER MOD Single : A 76 GLN : amide:sc= -0.0279 K(o=-0.028,f=-1.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -115:sc= 0.104 (180deg=-0.873!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -100:sc= -0.544 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -60:sc= 0.568 USER MOD Single : A 95 MET CE :methyl -167:sc= -1.82 (180deg=-2.62) USER MOD Single : A 108 LYS NZ :NH3+ 156:sc= -0.152 (180deg=-0.906) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -1.76! K(o=-1.8!,f=-0.0084) USER MOD Single : A 114 MET CE :methyl -169:sc= -2.1 (180deg=-2.97) USER MOD Single : A 116 LYS NZ :NH3+ -160:sc= -0.0653 (180deg=-0.532) USER MOD Single : A 118 SER OG : rot -42:sc= -0.307 USER MOD Single : A 119 TYR OH : rot -158:sc= -3.16! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 111:sc= -0.0013 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -164:sc= -0.855! USER MOD Single : A 133 ASN : amide:sc= -1.43! X(o=-1.4!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -7.773 3.433 -13.359 1.00 17.32 N ATOM 2 CA VAL A 5 -8.424 2.562 -12.334 1.00 16.53 C ATOM 3 C VAL A 5 -9.932 2.791 -12.363 1.00 15.62 C ATOM 4 O VAL A 5 -10.398 3.903 -12.505 1.00 15.21 O ATOM 5 CB VAL A 5 -7.888 2.913 -10.944 1.00 17.91 C ATOM 6 CG1 VAL A 5 -8.465 1.941 -9.910 1.00 18.70 C ATOM 7 CG2 VAL A 5 -6.365 2.801 -10.943 1.00 17.86 C ATOM 0 HA VAL A 5 -8.204 1.517 -12.555 1.00 16.53 H new ATOM 0 HB VAL A 5 -8.182 3.932 -10.691 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -8.082 2.192 -8.921 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -9.552 2.015 -9.908 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -8.171 0.923 -10.164 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -5.982 3.051 -9.953 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -6.075 1.782 -11.197 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -5.949 3.491 -11.678 1.00 17.86 H new ATOM 17 N SER A 6 -10.700 1.748 -12.231 1.00 15.43 N ATOM 18 CA SER A 6 -12.176 1.913 -12.254 1.00 14.66 C ATOM 19 C SER A 6 -12.632 2.584 -10.956 1.00 13.40 C ATOM 20 O SER A 6 -11.937 2.575 -9.960 1.00 12.58 O ATOM 21 CB SER A 6 -12.836 0.540 -12.381 1.00 15.49 C ATOM 22 OG SER A 6 -12.673 -0.172 -11.161 1.00 15.97 O ATOM 0 H SER A 6 -10.370 0.791 -12.108 1.00 15.43 H new ATOM 0 HA SER A 6 -12.463 2.534 -13.103 1.00 14.66 H new ATOM 0 HB2 SER A 6 -13.895 0.652 -12.612 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.388 -0.017 -13.204 1.00 15.49 H new ATOM 0 HG SER A 6 -13.096 -1.053 -11.237 1.00 15.97 H new ATOM 28 N GLN A 7 -13.795 3.171 -10.967 1.00 13.37 N ATOM 29 CA GLN A 7 -14.306 3.848 -9.746 1.00 12.23 C ATOM 30 C GLN A 7 -14.659 2.803 -8.684 1.00 11.36 C ATOM 31 O GLN A 7 -14.606 3.062 -7.506 1.00 10.97 O ATOM 32 CB GLN A 7 -15.542 4.667 -10.109 1.00 13.19 C ATOM 33 CG GLN A 7 -15.109 5.859 -10.964 1.00 13.36 C ATOM 34 CD GLN A 7 -16.337 6.657 -11.401 1.00 13.61 C ATOM 35 OE1 GLN A 7 -17.258 6.848 -10.633 1.00 13.82 O ATOM 36 NE2 GLN A 7 -16.392 7.125 -12.617 1.00 13.77 N ATOM 0 H GLN A 7 -14.417 3.211 -11.775 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.539 4.510 -9.344 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.256 4.051 -10.655 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.044 5.013 -9.206 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -14.432 6.498 -10.397 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -14.560 5.510 -11.839 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -15.618 6.964 -13.261 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -17.209 7.652 -12.924 1.00 13.77 H new ATOM 45 N GLU A 8 -15.031 1.630 -9.095 1.00 13.01 N ATOM 46 CA GLU A 8 -15.398 0.575 -8.106 1.00 12.24 C ATOM 47 C GLU A 8 -14.181 0.154 -7.268 1.00 11.73 C ATOM 48 O GLU A 8 -14.298 -0.120 -6.091 1.00 11.71 O ATOM 49 CB GLU A 8 -15.946 -0.647 -8.849 1.00 13.27 C ATOM 50 CG GLU A 8 -17.314 -0.313 -9.447 1.00 13.55 C ATOM 51 CD GLU A 8 -17.819 -1.504 -10.262 1.00 14.55 C ATOM 52 OE1 GLU A 8 -17.075 -2.460 -10.400 1.00 15.06 O ATOM 53 OE2 GLU A 8 -18.943 -1.439 -10.733 1.00 14.92 O ATOM 0 H GLU A 8 -15.099 1.350 -10.074 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.155 0.981 -7.435 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.256 -0.945 -9.638 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.033 -1.492 -8.166 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.022 -0.076 -8.653 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.240 0.570 -10.082 1.00 13.55 H new ATOM 60 N GLU A 9 -13.027 0.054 -7.871 1.00 11.46 N ATOM 61 CA GLU A 9 -11.819 -0.402 -7.111 1.00 11.12 C ATOM 62 C GLU A 9 -11.323 0.668 -6.129 1.00 10.28 C ATOM 63 O GLU A 9 -10.993 0.373 -5.000 1.00 10.32 O ATOM 64 CB GLU A 9 -10.702 -0.712 -8.106 1.00 12.40 C ATOM 65 CG GLU A 9 -11.101 -1.911 -8.965 1.00 13.24 C ATOM 66 CD GLU A 9 -10.101 -2.071 -10.110 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.179 -1.274 -10.181 1.00 14.26 O ATOM 68 OE2 GLU A 9 -10.273 -2.987 -10.897 1.00 14.68 O ATOM 0 H GLU A 9 -12.865 0.267 -8.855 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.094 -1.287 -6.536 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.514 0.155 -8.739 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.775 -0.925 -7.573 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -11.123 -2.816 -8.358 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -12.106 -1.769 -9.362 1.00 13.24 H new ATOM 75 N VAL A 10 -11.250 1.900 -6.540 1.00 9.75 N ATOM 76 CA VAL A 10 -10.757 2.958 -5.609 1.00 9.10 C ATOM 77 C VAL A 10 -11.664 3.029 -4.380 1.00 7.91 C ATOM 78 O VAL A 10 -11.214 3.265 -3.279 1.00 7.70 O ATOM 79 CB VAL A 10 -10.754 4.312 -6.306 1.00 10.81 C ATOM 80 CG1 VAL A 10 -9.682 4.330 -7.395 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.128 4.556 -6.932 1.00 11.17 C ATOM 0 H VAL A 10 -11.507 2.223 -7.473 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.741 2.708 -5.303 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.537 5.096 -5.581 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -9.683 5.301 -7.891 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.704 4.153 -6.946 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -9.892 3.549 -8.126 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.133 5.524 -7.433 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.342 3.771 -7.657 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.890 4.547 -6.152 1.00 11.17 H new ATOM 91 N LYS A 11 -12.937 2.824 -4.550 1.00 7.38 N ATOM 92 CA LYS A 11 -13.847 2.880 -3.374 1.00 6.32 C ATOM 93 C LYS A 11 -13.411 1.818 -2.371 1.00 5.68 C ATOM 94 O LYS A 11 -13.394 2.047 -1.179 1.00 5.93 O ATOM 95 CB LYS A 11 -15.281 2.621 -3.826 1.00 8.26 C ATOM 96 CG LYS A 11 -15.768 3.820 -4.639 1.00 8.64 C ATOM 97 CD LYS A 11 -17.200 3.574 -5.109 1.00 9.23 C ATOM 98 CE LYS A 11 -17.675 4.766 -5.941 1.00 9.91 C ATOM 99 NZ LYS A 11 -19.146 4.672 -6.149 1.00 10.51 N ATOM 0 H LYS A 11 -13.385 2.622 -5.444 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.801 3.864 -2.907 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.328 1.713 -4.428 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.926 2.465 -2.962 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.724 4.725 -4.033 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.115 3.979 -5.497 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.248 2.661 -5.702 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.856 3.431 -4.251 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.428 5.699 -5.434 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.161 4.780 -6.902 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -19.469 5.483 -6.715 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -19.370 3.789 -6.650 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -19.628 4.679 -5.227 1.00 10.51 H new ATOM 113 N LYS A 12 -13.031 0.662 -2.842 1.00 5.08 N ATOM 114 CA LYS A 12 -12.577 -0.400 -1.908 1.00 4.72 C ATOM 115 C LYS A 12 -11.366 0.127 -1.148 1.00 4.34 C ATOM 116 O LYS A 12 -11.225 -0.070 0.042 1.00 4.65 O ATOM 117 CB LYS A 12 -12.162 -1.635 -2.705 1.00 6.91 C ATOM 118 CG LYS A 12 -13.400 -2.285 -3.317 1.00 7.86 C ATOM 119 CD LYS A 12 -12.981 -3.518 -4.114 1.00 8.86 C ATOM 120 CE LYS A 12 -14.219 -4.168 -4.728 1.00 9.89 C ATOM 121 NZ LYS A 12 -13.802 -5.317 -5.579 1.00 10.82 N ATOM 0 H LYS A 12 -13.016 0.410 -3.830 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.380 -0.666 -1.220 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.459 -1.355 -3.490 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.649 -2.344 -2.056 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.102 -2.566 -2.532 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.914 -1.576 -3.966 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -12.278 -3.237 -4.898 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.468 -4.228 -3.465 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -14.893 -4.509 -3.942 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.768 -3.439 -5.324 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -14.643 -5.762 -5.999 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -13.175 -4.978 -6.337 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -13.296 -6.014 -4.997 1.00 10.82 H new ATOM 135 N TRP A 13 -10.499 0.818 -1.832 1.00 4.15 N ATOM 136 CA TRP A 13 -9.302 1.382 -1.165 1.00 3.58 C ATOM 137 C TRP A 13 -9.767 2.324 -0.061 1.00 2.38 C ATOM 138 O TRP A 13 -9.097 2.527 0.919 1.00 2.83 O ATOM 139 CB TRP A 13 -8.469 2.165 -2.181 1.00 4.70 C ATOM 140 CG TRP A 13 -8.108 1.290 -3.351 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.330 -0.046 -3.440 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.462 1.673 -4.603 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.858 -0.500 -4.656 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.313 0.519 -5.406 1.00 5.70 C ATOM 145 CE3 TRP A 13 -6.992 2.899 -5.109 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.718 0.577 -6.667 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.393 2.961 -6.381 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.256 1.801 -7.155 1.00 6.26 C ATOM 0 H TRP A 13 -10.572 1.016 -2.830 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.694 0.580 -0.748 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.029 3.033 -2.528 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.562 2.540 -1.706 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.800 -0.656 -2.682 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.907 -1.472 -4.962 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.091 3.797 -4.518 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.616 -0.319 -7.261 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.037 3.907 -6.762 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.793 1.854 -8.129 1.00 6.26 H new ATOM 159 N ALA A 14 -10.923 2.901 -0.210 1.00 0.01 N ATOM 160 CA ALA A 14 -11.424 3.819 0.848 1.00 0.01 C ATOM 161 C ALA A 14 -12.071 2.987 1.958 1.00 0.01 C ATOM 162 O ALA A 14 -12.465 3.503 2.983 1.00 0.01 O ATOM 163 CB ALA A 14 -12.464 4.767 0.248 1.00 0.00 C ATOM 0 H ALA A 14 -11.540 2.779 -1.013 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.598 4.402 1.256 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.832 5.440 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.007 5.349 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.295 4.188 -0.154 1.00 0.00 H new ATOM 169 N GLU A 15 -12.191 1.698 1.754 1.00 0.01 N ATOM 170 CA GLU A 15 -12.826 0.823 2.791 1.00 0.01 C ATOM 171 C GLU A 15 -11.758 0.182 3.690 1.00 0.01 C ATOM 172 O GLU A 15 -12.008 -0.097 4.847 1.00 0.01 O ATOM 173 CB GLU A 15 -13.629 -0.279 2.093 1.00 0.01 C ATOM 174 CG GLU A 15 -14.823 0.342 1.364 1.00 0.01 C ATOM 175 CD GLU A 15 -15.612 -0.753 0.643 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.126 -1.871 0.590 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.689 -0.454 0.154 1.00 0.01 O ATOM 0 H GLU A 15 -11.877 1.213 0.914 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.482 1.433 3.412 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.995 -0.813 1.385 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.976 -1.009 2.824 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.467 0.859 2.075 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.477 1.087 0.647 1.00 0.01 H new ATOM 184 N SER A 16 -10.575 -0.063 3.183 1.00 0.01 N ATOM 185 CA SER A 16 -9.526 -0.696 4.041 1.00 0.01 C ATOM 186 C SER A 16 -8.177 -0.720 3.315 1.00 0.00 C ATOM 187 O SER A 16 -8.107 -0.846 2.109 1.00 0.00 O ATOM 188 CB SER A 16 -9.936 -2.132 4.369 1.00 0.01 C ATOM 189 OG SER A 16 -10.229 -2.820 3.162 1.00 0.01 O ATOM 0 H SER A 16 -10.292 0.145 2.225 1.00 0.01 H new ATOM 0 HA SER A 16 -9.428 -0.112 4.956 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.134 -2.639 4.905 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.808 -2.134 5.024 1.00 0.01 H new ATOM 0 HG SER A 16 -11.006 -2.407 2.731 1.00 0.01 H new ATOM 195 N LEU A 17 -7.105 -0.610 4.059 1.00 0.00 N ATOM 196 CA LEU A 17 -5.739 -0.622 3.454 1.00 0.00 C ATOM 197 C LEU A 17 -5.503 -1.936 2.711 1.00 0.01 C ATOM 198 O LEU A 17 -5.023 -1.947 1.596 1.00 0.00 O ATOM 199 CB LEU A 17 -4.711 -0.460 4.578 1.00 0.01 C ATOM 200 CG LEU A 17 -3.287 -0.695 4.057 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.022 0.174 2.822 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.288 -0.322 5.157 1.00 0.00 C ATOM 0 H LEU A 17 -7.120 -0.511 5.074 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.642 0.195 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.786 0.541 5.003 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.930 -1.165 5.380 1.00 0.01 H new ATOM 0 HG LEU A 17 -3.175 -1.744 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.008 -0.003 2.463 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.734 -0.082 2.038 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.135 1.226 3.086 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.272 -0.485 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.414 0.728 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.466 -0.942 6.035 1.00 0.00 H new ATOM 214 N GLU A 18 -5.829 -3.041 3.310 1.00 0.01 N ATOM 215 CA GLU A 18 -5.608 -4.345 2.633 1.00 0.00 C ATOM 216 C GLU A 18 -6.108 -4.282 1.184 1.00 0.00 C ATOM 217 O GLU A 18 -5.500 -4.827 0.288 1.00 0.01 O ATOM 218 CB GLU A 18 -6.380 -5.431 3.387 1.00 0.01 C ATOM 219 CG GLU A 18 -5.718 -5.679 4.744 1.00 0.01 C ATOM 220 CD GLU A 18 -6.488 -6.762 5.502 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.517 -7.187 5.004 1.00 0.01 O ATOM 222 OE2 GLU A 18 -6.039 -7.143 6.570 1.00 0.01 O ATOM 0 H GLU A 18 -6.240 -3.099 4.242 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.542 -4.573 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.417 -5.125 3.527 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.396 -6.352 2.804 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.682 -5.987 4.603 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.701 -4.757 5.325 1.00 0.01 H new ATOM 229 N ASN A 19 -7.207 -3.627 0.943 1.00 0.01 N ATOM 230 CA ASN A 19 -7.731 -3.548 -0.455 1.00 0.00 C ATOM 231 C ASN A 19 -6.762 -2.777 -1.371 1.00 0.00 C ATOM 232 O ASN A 19 -6.466 -3.199 -2.475 1.00 0.01 O ATOM 233 CB ASN A 19 -9.084 -2.833 -0.444 1.00 0.01 C ATOM 234 CG ASN A 19 -10.142 -3.751 0.170 1.00 0.01 C ATOM 235 OD1 ASN A 19 -10.980 -3.308 0.930 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.140 -5.019 -0.131 1.00 0.01 N ATOM 0 H ASN A 19 -7.766 -3.144 1.647 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.837 -4.562 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.014 -1.908 0.128 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.370 -2.559 -1.459 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -10.842 -5.640 0.271 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -9.436 -5.391 -0.769 1.00 0.01 H new ATOM 243 N LEU A 20 -6.276 -1.646 -0.930 1.00 0.00 N ATOM 244 CA LEU A 20 -5.346 -0.840 -1.782 1.00 0.01 C ATOM 245 C LEU A 20 -4.091 -1.649 -2.122 1.00 0.01 C ATOM 246 O LEU A 20 -3.644 -1.667 -3.252 1.00 0.00 O ATOM 247 CB LEU A 20 -4.955 0.434 -1.016 1.00 0.00 C ATOM 248 CG LEU A 20 -3.974 1.303 -1.823 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.633 1.808 -3.108 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.574 2.508 -0.971 1.00 0.01 C ATOM 0 H LEU A 20 -6.482 -1.244 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.845 -0.578 -2.715 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.851 1.012 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.501 0.161 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.102 0.704 -2.084 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.923 2.420 -3.664 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.937 0.958 -3.719 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.509 2.406 -2.857 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.878 3.134 -1.530 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.463 3.087 -0.720 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.096 2.163 -0.054 1.00 0.01 H new ATOM 262 N ILE A 21 -3.509 -2.300 -1.157 1.00 0.01 N ATOM 263 CA ILE A 21 -2.270 -3.088 -1.430 1.00 0.00 C ATOM 264 C ILE A 21 -2.613 -4.439 -2.066 1.00 0.00 C ATOM 265 O ILE A 21 -1.761 -5.095 -2.633 1.00 0.00 O ATOM 266 CB ILE A 21 -1.514 -3.311 -0.117 1.00 0.00 C ATOM 267 CG1 ILE A 21 -2.420 -4.029 0.891 1.00 0.00 C ATOM 268 CG2 ILE A 21 -1.090 -1.961 0.460 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.603 -4.471 2.104 1.00 0.01 C ATOM 0 H ILE A 21 -3.834 -2.323 -0.191 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.645 -2.530 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.633 -3.923 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.225 -3.365 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.887 -4.895 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.552 -2.118 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.441 -1.449 -0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.974 -1.352 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.254 -4.980 2.815 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -0.814 -5.151 1.783 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -1.158 -3.598 2.581 1.00 0.01 H new ATOM 281 N ASN A 22 -3.841 -4.876 -1.974 1.00 0.00 N ATOM 282 CA ASN A 22 -4.198 -6.197 -2.571 1.00 0.01 C ATOM 283 C ASN A 22 -4.549 -6.025 -4.051 1.00 0.01 C ATOM 284 O ASN A 22 -4.669 -6.989 -4.781 1.00 0.01 O ATOM 285 CB ASN A 22 -5.395 -6.798 -1.827 1.00 0.01 C ATOM 286 CG ASN A 22 -4.957 -7.259 -0.433 1.00 0.01 C ATOM 287 OD1 ASN A 22 -5.760 -7.745 0.338 1.00 0.01 O ATOM 288 ND2 ASN A 22 -3.709 -7.124 -0.074 1.00 0.01 N ATOM 0 H ASN A 22 -4.606 -4.381 -1.516 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.343 -6.867 -2.481 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.192 -6.059 -1.743 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.799 -7.640 -2.389 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -3.409 -7.426 0.853 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -3.034 -6.716 -0.720 1.00 0.01 H new ATOM 295 N HIS A 23 -4.703 -4.807 -4.510 1.00 0.01 N ATOM 296 CA HIS A 23 -5.034 -4.588 -5.956 1.00 0.01 C ATOM 297 C HIS A 23 -3.740 -4.334 -6.745 1.00 0.01 C ATOM 298 O HIS A 23 -2.863 -3.614 -6.305 1.00 0.01 O ATOM 299 CB HIS A 23 -5.965 -3.382 -6.094 1.00 0.00 C ATOM 300 CG HIS A 23 -6.593 -3.391 -7.461 1.00 0.01 C ATOM 301 ND1 HIS A 23 -5.834 -3.353 -8.617 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.902 -3.434 -7.872 1.00 0.01 C ATOM 303 CE1 HIS A 23 -6.682 -3.374 -9.660 1.00 0.01 C ATOM 304 NE2 HIS A 23 -7.956 -3.424 -9.262 1.00 0.01 N ATOM 0 H HIS A 23 -4.615 -3.958 -3.951 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.532 -5.473 -6.351 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.738 -3.415 -5.326 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.406 -2.458 -5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.759 -3.470 -7.216 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -6.371 -3.353 -10.694 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -8.789 -3.449 -9.850 1.00 0.01 H new ATOM 312 N GLU A 24 -3.609 -4.937 -7.900 1.00 0.01 N ATOM 313 CA GLU A 24 -2.369 -4.760 -8.720 1.00 0.01 C ATOM 314 C GLU A 24 -2.164 -3.289 -9.088 1.00 0.01 C ATOM 315 O GLU A 24 -1.055 -2.791 -9.074 1.00 0.01 O ATOM 316 CB GLU A 24 -2.494 -5.583 -10.010 1.00 0.01 C ATOM 317 CG GLU A 24 -1.225 -5.432 -10.864 1.00 0.01 C ATOM 318 CD GLU A 24 -0.012 -5.936 -10.081 1.00 0.01 C ATOM 319 OE1 GLU A 24 -0.196 -6.791 -9.230 1.00 0.01 O ATOM 320 OE2 GLU A 24 1.080 -5.460 -10.344 1.00 0.00 O ATOM 0 H GLU A 24 -4.312 -5.549 -8.314 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.515 -5.098 -8.133 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -2.653 -6.633 -9.765 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -3.364 -5.252 -10.577 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.330 -5.995 -11.791 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.083 -4.387 -11.140 1.00 0.01 H new ATOM 327 N CYS A 25 -3.207 -2.587 -9.435 1.00 0.01 N ATOM 328 CA CYS A 25 -3.027 -1.160 -9.816 1.00 0.01 C ATOM 329 C CYS A 25 -2.965 -0.335 -8.536 1.00 0.01 C ATOM 330 O CYS A 25 -2.317 0.691 -8.477 1.00 0.00 O ATOM 331 CB CYS A 25 -4.196 -0.698 -10.692 1.00 0.01 C ATOM 332 SG CYS A 25 -3.688 0.759 -11.636 1.00 0.00 S ATOM 0 H CYS A 25 -4.165 -2.935 -9.471 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.108 -1.033 -10.387 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -4.498 -1.498 -11.368 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.060 -0.462 -10.072 1.00 0.01 H new ATOM 0 HG CYS A 25 -4.472 0.906 -12.662 1.00 0.00 H new ATOM 338 N GLY A 26 -3.598 -0.799 -7.494 1.00 0.01 N ATOM 339 CA GLY A 26 -3.529 -0.058 -6.209 1.00 0.01 C ATOM 340 C GLY A 26 -2.062 -0.006 -5.797 1.00 0.01 C ATOM 341 O GLY A 26 -1.535 1.032 -5.454 1.00 0.01 O ATOM 0 H GLY A 26 -4.155 -1.653 -7.479 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.933 0.948 -6.323 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.126 -0.556 -5.445 1.00 0.01 H new ATOM 345 N LEU A 27 -1.389 -1.126 -5.859 1.00 0.01 N ATOM 346 CA LEU A 27 0.054 -1.147 -5.504 1.00 0.00 C ATOM 347 C LEU A 27 0.796 -0.199 -6.444 1.00 0.00 C ATOM 348 O LEU A 27 1.625 0.582 -6.024 1.00 0.00 O ATOM 349 CB LEU A 27 0.608 -2.569 -5.658 1.00 0.00 C ATOM 350 CG LEU A 27 0.049 -3.480 -4.547 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.185 -4.946 -4.968 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.835 -3.269 -3.242 1.00 0.01 C ATOM 0 H LEU A 27 -1.780 -2.025 -6.141 1.00 0.01 H new ATOM 0 HA LEU A 27 0.188 -0.830 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.339 -2.968 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.697 -2.550 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.000 -3.230 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.211 -5.589 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.374 -5.113 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.236 -5.181 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.431 -3.918 -2.465 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.885 -3.511 -3.407 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.747 -2.229 -2.928 1.00 0.01 H new ATOM 364 N ALA A 28 0.493 -0.251 -7.714 1.00 0.00 N ATOM 365 CA ALA A 28 1.175 0.662 -8.671 1.00 0.00 C ATOM 366 C ALA A 28 0.867 2.102 -8.273 1.00 0.01 C ATOM 367 O ALA A 28 1.740 2.943 -8.210 1.00 0.00 O ATOM 368 CB ALA A 28 0.658 0.403 -10.088 1.00 0.00 C ATOM 0 H ALA A 28 -0.193 -0.883 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 28 2.251 0.488 -8.647 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.159 1.073 -10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.863 -0.631 -10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.417 0.582 -10.122 1.00 0.00 H new ATOM 374 N ALA A 29 -0.374 2.387 -7.990 1.00 0.00 N ATOM 375 CA ALA A 29 -0.746 3.765 -7.581 1.00 0.01 C ATOM 376 C ALA A 29 -0.166 4.045 -6.194 1.00 0.00 C ATOM 377 O ALA A 29 0.454 5.062 -5.961 1.00 0.00 O ATOM 378 CB ALA A 29 -2.272 3.889 -7.538 1.00 0.01 C ATOM 0 H ALA A 29 -1.146 1.722 -8.025 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.349 4.485 -8.296 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.547 4.900 -7.238 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.682 3.680 -8.526 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.675 3.175 -6.819 1.00 0.01 H new ATOM 384 N PHE A 30 -0.354 3.137 -5.273 1.00 0.00 N ATOM 385 CA PHE A 30 0.190 3.343 -3.904 1.00 0.00 C ATOM 386 C PHE A 30 1.711 3.476 -3.990 1.00 0.00 C ATOM 387 O PHE A 30 2.294 4.401 -3.461 1.00 0.00 O ATOM 388 CB PHE A 30 -0.180 2.143 -3.022 1.00 0.00 C ATOM 389 CG PHE A 30 0.306 2.369 -1.608 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.191 3.445 -0.858 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.242 1.494 -1.036 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.247 3.645 0.452 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.680 1.701 0.276 1.00 0.00 C ATOM 394 CZ PHE A 30 1.181 2.776 1.018 1.00 0.00 C ATOM 0 H PHE A 30 -0.861 2.263 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.231 4.249 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.260 1.999 -3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.264 1.234 -3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.913 4.119 -1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.624 0.661 -1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.137 4.473 1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.404 1.031 0.716 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.519 2.934 2.031 1.00 0.00 H new ATOM 404 N LYS A 31 2.357 2.565 -4.665 1.00 0.00 N ATOM 405 CA LYS A 31 3.837 2.647 -4.795 1.00 0.00 C ATOM 406 C LYS A 31 4.212 3.939 -5.517 1.00 0.00 C ATOM 407 O LYS A 31 5.169 4.597 -5.174 1.00 0.00 O ATOM 408 CB LYS A 31 4.344 1.451 -5.602 1.00 0.00 C ATOM 409 CG LYS A 31 4.192 0.178 -4.769 1.00 0.00 C ATOM 410 CD LYS A 31 4.322 -1.050 -5.672 1.00 0.00 C ATOM 411 CE LYS A 31 5.731 -1.108 -6.266 1.00 0.01 C ATOM 412 NZ LYS A 31 5.964 -2.459 -6.850 1.00 0.00 N ATOM 0 H LYS A 31 1.923 1.768 -5.131 1.00 0.00 H new ATOM 0 HA LYS A 31 4.290 2.637 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.782 1.360 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.389 1.598 -5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.953 0.150 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.223 0.173 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.120 -1.956 -5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.582 -1.006 -6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.846 -0.343 -7.033 1.00 0.01 H new ATOM 0 HE3 LYS A 31 6.472 -0.900 -5.494 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 6.921 -2.502 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.870 -3.180 -6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.264 -2.640 -7.597 1.00 0.00 H new ATOM 426 N ALA A 32 3.464 4.307 -6.515 1.00 0.00 N ATOM 427 CA ALA A 32 3.789 5.555 -7.256 1.00 0.00 C ATOM 428 C ALA A 32 3.660 6.747 -6.311 1.00 0.01 C ATOM 429 O ALA A 32 4.520 7.603 -6.254 1.00 0.00 O ATOM 430 CB ALA A 32 2.811 5.721 -8.421 1.00 0.00 C ATOM 0 H ALA A 32 2.644 3.801 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 32 4.807 5.501 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.046 6.635 -8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.896 4.866 -9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.793 5.780 -8.036 1.00 0.00 H new ATOM 436 N PHE A 33 2.591 6.809 -5.569 1.00 0.00 N ATOM 437 CA PHE A 33 2.404 7.945 -4.630 1.00 0.00 C ATOM 438 C PHE A 33 3.551 7.978 -3.618 1.00 0.00 C ATOM 439 O PHE A 33 4.144 9.010 -3.380 1.00 0.00 O ATOM 440 CB PHE A 33 1.073 7.791 -3.901 1.00 0.00 C ATOM 441 CG PHE A 33 0.848 8.989 -3.012 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.470 10.211 -3.578 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.017 8.881 -1.627 1.00 0.00 C ATOM 444 CE1 PHE A 33 0.261 11.327 -2.760 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.807 9.997 -0.808 1.00 0.00 C ATOM 446 CZ PHE A 33 0.429 11.220 -1.374 1.00 0.00 C ATOM 0 H PHE A 33 1.838 6.120 -5.573 1.00 0.00 H new ATOM 0 HA PHE A 33 2.401 8.879 -5.192 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.260 7.701 -4.621 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.075 6.878 -3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.339 10.293 -4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.309 7.937 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.030 12.271 -3.198 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.937 9.914 0.261 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.267 12.081 -0.742 1.00 0.00 H new ATOM 456 N LEU A 34 3.874 6.866 -3.017 1.00 0.00 N ATOM 457 CA LEU A 34 4.991 6.878 -2.029 1.00 0.00 C ATOM 458 C LEU A 34 6.285 7.254 -2.746 1.00 0.00 C ATOM 459 O LEU A 34 7.076 8.034 -2.254 1.00 0.00 O ATOM 460 CB LEU A 34 5.173 5.494 -1.405 1.00 0.00 C ATOM 461 CG LEU A 34 3.909 5.058 -0.645 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.140 3.658 -0.034 1.00 0.00 C ATOM 463 CD2 LEU A 34 3.577 6.076 0.464 1.00 0.00 C ATOM 0 H LEU A 34 3.422 5.963 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 34 4.756 7.599 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.401 4.767 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.024 5.508 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 34 3.067 5.016 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.246 3.345 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.352 2.944 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.985 3.696 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.680 5.756 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.411 6.137 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.405 7.056 0.019 1.00 0.00 H new ATOM 475 N LYS A 35 6.501 6.710 -3.910 1.00 0.00 N ATOM 476 CA LYS A 35 7.737 7.038 -4.665 1.00 0.00 C ATOM 477 C LYS A 35 7.763 8.539 -4.936 1.00 0.01 C ATOM 478 O LYS A 35 8.801 9.168 -4.903 1.00 0.00 O ATOM 479 CB LYS A 35 7.755 6.247 -5.974 1.00 0.00 C ATOM 480 CG LYS A 35 8.062 4.779 -5.663 1.00 0.00 C ATOM 481 CD LYS A 35 7.774 3.912 -6.892 1.00 0.00 C ATOM 482 CE LYS A 35 8.090 2.447 -6.571 1.00 0.00 C ATOM 483 NZ LYS A 35 7.378 1.561 -7.533 1.00 0.01 N ATOM 0 H LYS A 35 5.873 6.051 -4.370 1.00 0.00 H new ATOM 0 HA LYS A 35 8.621 6.767 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.793 6.332 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.507 6.654 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.106 4.672 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.457 4.443 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.729 4.014 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.376 4.248 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.165 2.275 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.785 2.213 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.552 0.567 -7.283 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 6.357 1.754 -7.493 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 7.727 1.742 -8.496 1.00 0.01 H new ATOM 497 N SER A 36 6.625 9.127 -5.178 1.00 0.00 N ATOM 498 CA SER A 36 6.598 10.595 -5.419 1.00 0.00 C ATOM 499 C SER A 36 7.160 11.283 -4.175 1.00 0.00 C ATOM 500 O SER A 36 7.734 12.351 -4.245 1.00 0.00 O ATOM 501 CB SER A 36 5.160 11.055 -5.653 1.00 0.00 C ATOM 502 OG SER A 36 4.629 10.379 -6.783 1.00 0.00 O ATOM 0 H SER A 36 5.720 8.659 -5.219 1.00 0.00 H new ATOM 0 HA SER A 36 7.191 10.847 -6.298 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.552 10.848 -4.772 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.132 12.133 -5.813 1.00 0.00 H new ATOM 0 HG SER A 36 4.533 9.425 -6.578 1.00 0.00 H new ATOM 508 N GLU A 37 7.003 10.658 -3.034 1.00 0.00 N ATOM 509 CA GLU A 37 7.525 11.235 -1.759 1.00 0.00 C ATOM 510 C GLU A 37 8.742 10.415 -1.315 1.00 0.00 C ATOM 511 O GLU A 37 9.240 10.562 -0.217 1.00 0.00 O ATOM 512 CB GLU A 37 6.432 11.158 -0.690 1.00 0.00 C ATOM 513 CG GLU A 37 5.214 11.961 -1.152 1.00 0.00 C ATOM 514 CD GLU A 37 4.118 11.887 -0.088 1.00 0.01 C ATOM 515 OE1 GLU A 37 4.266 11.099 0.831 1.00 0.00 O ATOM 516 OE2 GLU A 37 3.150 12.618 -0.211 1.00 0.00 O ATOM 0 H GLU A 37 6.529 9.761 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 37 7.814 12.276 -1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.152 10.119 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.804 11.552 0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.495 12.999 -1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.844 11.567 -2.098 1.00 0.00 H new ATOM 523 N TYR A 38 9.220 9.557 -2.181 1.00 0.00 N ATOM 524 CA TYR A 38 10.409 8.714 -1.858 1.00 0.00 C ATOM 525 C TYR A 38 10.162 7.906 -0.584 1.00 0.00 C ATOM 526 O TYR A 38 11.056 7.696 0.212 1.00 0.00 O ATOM 527 CB TYR A 38 11.631 9.612 -1.673 1.00 0.00 C ATOM 528 CG TYR A 38 11.875 10.381 -2.946 1.00 0.00 C ATOM 529 CD1 TYR A 38 12.677 9.833 -3.954 1.00 0.00 C ATOM 530 CD2 TYR A 38 11.290 11.641 -3.121 1.00 0.00 C ATOM 531 CE1 TYR A 38 12.895 10.546 -5.138 1.00 0.00 C ATOM 532 CE2 TYR A 38 11.509 12.354 -4.306 1.00 0.00 C ATOM 533 CZ TYR A 38 12.311 11.808 -5.313 1.00 0.01 C ATOM 534 OH TYR A 38 12.524 12.510 -6.481 1.00 0.00 O ATOM 0 H TYR A 38 8.830 9.404 -3.111 1.00 0.00 H new ATOM 0 HA TYR A 38 10.585 8.020 -2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.470 10.300 -0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.505 9.011 -1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.127 8.861 -3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.671 12.062 -2.343 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.513 10.124 -5.917 1.00 0.00 H new ATOM 0 HE2 TYR A 38 11.058 13.326 -4.442 1.00 0.00 H new ATOM 0 HH TYR A 38 12.047 13.365 -6.440 1.00 0.00 H new ATOM 544 N SER A 39 8.956 7.436 -0.397 1.00 0.00 N ATOM 545 CA SER A 39 8.631 6.616 0.812 1.00 0.00 C ATOM 546 C SER A 39 8.539 5.148 0.389 1.00 0.00 C ATOM 547 O SER A 39 7.831 4.358 0.984 1.00 0.00 O ATOM 548 CB SER A 39 7.294 7.090 1.399 1.00 0.00 C ATOM 549 OG SER A 39 6.475 7.574 0.348 1.00 0.00 O ATOM 0 H SER A 39 8.174 7.586 -1.035 1.00 0.00 H new ATOM 0 HA SER A 39 9.404 6.727 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.797 6.269 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.463 7.875 2.136 1.00 0.00 H new ATOM 0 HG SER A 39 5.618 7.877 0.714 1.00 0.00 H new ATOM 555 N GLU A 40 9.252 4.782 -0.641 1.00 0.00 N ATOM 556 CA GLU A 40 9.217 3.373 -1.118 1.00 0.00 C ATOM 557 C GLU A 40 9.797 2.464 -0.037 1.00 0.00 C ATOM 558 O GLU A 40 9.710 1.257 -0.106 1.00 0.00 O ATOM 559 CB GLU A 40 10.046 3.248 -2.399 1.00 0.00 C ATOM 560 CG GLU A 40 11.457 3.786 -2.148 1.00 0.00 C ATOM 561 CD GLU A 40 12.289 3.664 -3.427 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.851 2.972 -4.332 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.350 4.264 -3.480 1.00 0.00 O ATOM 0 H GLU A 40 9.860 5.403 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 40 8.188 3.079 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.093 2.206 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.572 3.804 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.409 4.828 -1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.931 3.229 -1.340 1.00 0.00 H new ATOM 570 N GLU A 41 10.384 3.035 0.972 1.00 0.00 N ATOM 571 CA GLU A 41 10.952 2.200 2.060 1.00 0.00 C ATOM 572 C GLU A 41 9.820 1.405 2.723 1.00 0.00 C ATOM 573 O GLU A 41 9.976 0.251 3.075 1.00 0.00 O ATOM 574 CB GLU A 41 11.617 3.119 3.091 1.00 0.00 C ATOM 575 CG GLU A 41 10.544 3.928 3.829 1.00 0.00 C ATOM 576 CD GLU A 41 11.206 5.061 4.612 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.403 5.236 4.464 1.00 0.00 O ATOM 578 OE2 GLU A 41 10.503 5.741 5.341 1.00 0.00 O ATOM 0 H GLU A 41 10.495 4.042 1.091 1.00 0.00 H new ATOM 0 HA GLU A 41 11.692 1.507 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.193 2.527 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.317 3.792 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.827 4.335 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.988 3.280 4.507 1.00 0.00 H new ATOM 585 N ASN A 42 8.686 2.028 2.907 1.00 0.00 N ATOM 586 CA ASN A 42 7.533 1.340 3.561 1.00 0.00 C ATOM 587 C ASN A 42 7.087 0.104 2.768 1.00 0.00 C ATOM 588 O ASN A 42 6.927 -0.964 3.322 1.00 0.00 O ATOM 589 CB ASN A 42 6.364 2.324 3.668 1.00 0.00 C ATOM 590 CG ASN A 42 6.699 3.399 4.702 1.00 0.00 C ATOM 591 OD1 ASN A 42 7.511 3.182 5.580 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.104 4.559 4.638 1.00 0.00 N ATOM 0 H ASN A 42 8.507 2.993 2.630 1.00 0.00 H new ATOM 0 HA ASN A 42 7.848 1.007 4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.171 2.784 2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.455 1.796 3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.321 5.282 5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.422 4.743 3.902 1.00 0.00 H new ATOM 599 N ILE A 43 6.873 0.230 1.482 1.00 0.00 N ATOM 600 CA ILE A 43 6.428 -0.960 0.698 1.00 0.00 C ATOM 601 C ILE A 43 7.576 -1.960 0.593 1.00 0.00 C ATOM 602 O ILE A 43 7.378 -3.156 0.674 1.00 0.00 O ATOM 603 CB ILE A 43 5.955 -0.542 -0.706 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.251 -1.733 -1.388 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.151 -0.099 -1.557 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.826 -1.910 -0.839 1.00 0.00 C ATOM 0 H ILE A 43 6.985 1.092 0.949 1.00 0.00 H new ATOM 0 HA ILE A 43 5.588 -1.427 1.213 1.00 0.00 H new ATOM 0 HB ILE A 43 5.259 0.291 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.213 -1.571 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.825 -2.644 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.804 0.194 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.643 0.748 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.857 -0.924 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.348 -2.755 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.870 -2.095 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.248 -1.005 -1.028 1.00 0.00 H new ATOM 618 N ASP A 44 8.777 -1.485 0.408 1.00 0.00 N ATOM 619 CA ASP A 44 9.923 -2.424 0.297 1.00 0.00 C ATOM 620 C ASP A 44 10.010 -3.230 1.589 1.00 0.00 C ATOM 621 O ASP A 44 10.223 -4.426 1.576 1.00 0.00 O ATOM 622 CB ASP A 44 11.214 -1.631 0.094 1.00 0.00 C ATOM 623 CG ASP A 44 11.212 -1.002 -1.300 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.437 -1.450 -2.129 1.00 0.00 O ATOM 625 OD2 ASP A 44 11.988 -0.086 -1.517 1.00 0.00 O ATOM 0 H ASP A 44 9.011 -0.495 0.330 1.00 0.00 H new ATOM 0 HA ASP A 44 9.783 -3.093 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.300 -0.855 0.855 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.078 -2.286 0.208 1.00 0.00 H new ATOM 630 N PHE A 45 9.814 -2.585 2.704 1.00 0.00 N ATOM 631 CA PHE A 45 9.849 -3.318 3.995 1.00 0.00 C ATOM 632 C PHE A 45 8.680 -4.305 4.030 1.00 0.00 C ATOM 633 O PHE A 45 8.812 -5.433 4.461 1.00 0.00 O ATOM 634 CB PHE A 45 9.730 -2.320 5.148 1.00 0.00 C ATOM 635 CG PHE A 45 9.683 -3.065 6.457 1.00 0.00 C ATOM 636 CD1 PHE A 45 10.868 -3.367 7.135 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.450 -3.460 6.987 1.00 0.00 C ATOM 638 CE1 PHE A 45 10.820 -4.066 8.347 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.403 -4.159 8.198 1.00 0.00 C ATOM 640 CZ PHE A 45 9.588 -4.461 8.879 1.00 0.00 C ATOM 0 H PHE A 45 9.632 -1.584 2.775 1.00 0.00 H new ATOM 0 HA PHE A 45 10.788 -3.862 4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.577 -1.634 5.138 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.830 -1.716 5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.819 -3.061 6.724 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.536 -3.226 6.462 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.735 -4.300 8.872 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.452 -4.466 8.608 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.551 -4.999 9.815 1.00 0.00 H new ATOM 650 N TRP A 46 7.534 -3.878 3.571 1.00 0.00 N ATOM 651 CA TRP A 46 6.338 -4.771 3.556 1.00 0.00 C ATOM 652 C TRP A 46 6.617 -6.008 2.702 1.00 0.00 C ATOM 653 O TRP A 46 6.321 -7.120 3.089 1.00 0.00 O ATOM 654 CB TRP A 46 5.150 -4.011 2.967 1.00 0.00 C ATOM 655 CG TRP A 46 3.948 -4.900 2.928 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.287 -5.361 4.012 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.253 -5.441 1.766 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.231 -6.149 3.592 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.169 -6.229 2.216 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.457 -5.324 0.379 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.315 -6.879 1.323 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.601 -5.977 -0.523 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.532 -6.752 -0.050 1.00 0.00 C ATOM 0 H TRP A 46 7.374 -2.941 3.203 1.00 0.00 H new ATOM 0 HA TRP A 46 6.113 -5.084 4.576 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.939 -3.126 3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.390 -3.665 1.962 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.542 -5.149 5.040 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.578 -6.614 4.222 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.277 -4.728 0.005 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.493 -7.475 1.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.767 -5.882 -1.586 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.876 -7.251 -0.748 1.00 0.00 H new ATOM 674 N ILE A 47 7.180 -5.828 1.538 1.00 0.00 N ATOM 675 CA ILE A 47 7.461 -6.999 0.663 1.00 0.00 C ATOM 676 C ILE A 47 8.401 -7.957 1.392 1.00 0.00 C ATOM 677 O ILE A 47 8.196 -9.158 1.409 1.00 0.00 O ATOM 678 CB ILE A 47 8.109 -6.509 -0.634 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.079 -5.708 -1.433 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.581 -7.704 -1.465 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.773 -4.992 -2.594 1.00 0.00 C ATOM 0 H ILE A 47 7.456 -4.923 1.157 1.00 0.00 H new ATOM 0 HA ILE A 47 6.534 -7.522 0.426 1.00 0.00 H new ATOM 0 HB ILE A 47 8.967 -5.880 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.303 -6.372 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.587 -4.981 -0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.041 -7.347 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.310 -8.279 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.728 -8.338 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.038 -4.422 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.533 -4.316 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.244 -5.728 -3.246 1.00 0.00 H new ATOM 693 N SER A 48 9.420 -7.439 2.015 1.00 0.00 N ATOM 694 CA SER A 48 10.351 -8.324 2.758 1.00 0.00 C ATOM 695 C SER A 48 9.595 -8.936 3.934 1.00 0.00 C ATOM 696 O SER A 48 9.759 -10.095 4.261 1.00 0.00 O ATOM 697 CB SER A 48 11.534 -7.507 3.281 1.00 0.00 C ATOM 698 OG SER A 48 11.085 -6.645 4.319 1.00 0.00 O ATOM 0 H SER A 48 9.647 -6.445 2.041 1.00 0.00 H new ATOM 0 HA SER A 48 10.727 -9.108 2.100 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.313 -8.171 3.655 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.974 -6.923 2.472 1.00 0.00 H new ATOM 0 HG SER A 48 10.333 -6.107 3.995 1.00 0.00 H new ATOM 704 N CYS A 49 8.761 -8.159 4.571 1.00 0.00 N ATOM 705 CA CYS A 49 7.984 -8.682 5.726 1.00 0.00 C ATOM 706 C CYS A 49 6.991 -9.749 5.248 1.00 0.00 C ATOM 707 O CYS A 49 6.721 -10.709 5.941 1.00 0.01 O ATOM 708 CB CYS A 49 7.233 -7.530 6.400 1.00 0.00 C ATOM 709 SG CYS A 49 6.943 -7.949 8.138 1.00 0.01 S ATOM 0 H CYS A 49 8.585 -7.181 4.339 1.00 0.00 H new ATOM 0 HA CYS A 49 8.666 -9.135 6.445 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.812 -6.609 6.327 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.285 -7.351 5.893 1.00 0.00 H new ATOM 0 HG CYS A 49 7.117 -6.892 8.874 1.00 0.01 H new ATOM 715 N GLU A 50 6.446 -9.599 4.070 1.00 0.00 N ATOM 716 CA GLU A 50 5.480 -10.623 3.576 1.00 0.00 C ATOM 717 C GLU A 50 6.190 -11.974 3.509 1.00 0.01 C ATOM 718 O GLU A 50 5.695 -12.970 3.997 1.00 0.00 O ATOM 719 CB GLU A 50 4.974 -10.240 2.182 1.00 0.01 C ATOM 720 CG GLU A 50 3.925 -9.131 2.298 1.00 0.00 C ATOM 721 CD GLU A 50 3.491 -8.700 0.898 1.00 0.01 C ATOM 722 OE1 GLU A 50 4.197 -7.906 0.299 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.462 -9.175 0.447 1.00 0.01 O ATOM 0 H GLU A 50 6.625 -8.821 3.435 1.00 0.00 H new ATOM 0 HA GLU A 50 4.629 -10.680 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.806 -9.903 1.563 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.542 -11.111 1.690 1.00 0.01 H new ATOM 0 HG2 GLU A 50 3.064 -9.486 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.336 -8.281 2.842 1.00 0.00 H new ATOM 730 N GLU A 51 7.361 -12.012 2.935 1.00 0.01 N ATOM 731 CA GLU A 51 8.106 -13.300 2.873 1.00 0.00 C ATOM 732 C GLU A 51 8.353 -13.776 4.300 1.00 0.01 C ATOM 733 O GLU A 51 8.263 -14.948 4.609 1.00 0.00 O ATOM 734 CB GLU A 51 9.447 -13.095 2.166 1.00 0.00 C ATOM 735 CG GLU A 51 9.209 -12.828 0.679 1.00 0.00 C ATOM 736 CD GLU A 51 10.552 -12.623 -0.022 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.567 -12.703 0.650 1.00 0.01 O ATOM 738 OE2 GLU A 51 10.543 -12.390 -1.220 1.00 0.00 O ATOM 0 H GLU A 51 7.831 -11.213 2.509 1.00 0.01 H new ATOM 0 HA GLU A 51 7.527 -14.038 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.982 -12.258 2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.074 -13.978 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.676 -13.665 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.582 -11.945 0.553 1.00 0.00 H new ATOM 745 N TYR A 52 8.668 -12.860 5.170 1.00 0.00 N ATOM 746 CA TYR A 52 8.933 -13.216 6.588 1.00 0.01 C ATOM 747 C TYR A 52 7.684 -13.872 7.192 1.00 0.01 C ATOM 748 O TYR A 52 7.775 -14.804 7.967 1.00 0.01 O ATOM 749 CB TYR A 52 9.273 -11.939 7.366 1.00 0.00 C ATOM 750 CG TYR A 52 9.784 -12.295 8.738 1.00 0.01 C ATOM 751 CD1 TYR A 52 8.889 -12.501 9.793 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.162 -12.423 8.953 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.371 -12.836 11.064 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.644 -12.756 10.222 1.00 0.00 C ATOM 755 CZ TYR A 52 10.750 -12.964 11.279 1.00 0.01 C ATOM 756 OH TYR A 52 11.226 -13.296 12.528 1.00 0.01 O ATOM 0 H TYR A 52 8.754 -11.867 4.955 1.00 0.00 H new ATOM 0 HA TYR A 52 9.768 -13.915 6.646 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.025 -11.363 6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.388 -11.308 7.450 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.826 -12.402 9.627 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.852 -12.264 8.138 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.680 -12.996 11.879 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.707 -12.853 10.387 1.00 0.00 H new ATOM 0 HH TYR A 52 10.505 -13.695 13.058 1.00 0.01 H new ATOM 766 N LYS A 53 6.517 -13.389 6.850 1.00 0.01 N ATOM 767 CA LYS A 53 5.265 -13.982 7.413 1.00 0.01 C ATOM 768 C LYS A 53 4.921 -15.305 6.723 1.00 0.01 C ATOM 769 O LYS A 53 4.059 -16.034 7.173 1.00 0.01 O ATOM 770 CB LYS A 53 4.096 -13.014 7.214 1.00 0.01 C ATOM 771 CG LYS A 53 4.255 -11.801 8.129 1.00 0.00 C ATOM 772 CD LYS A 53 3.073 -10.855 7.908 1.00 0.00 C ATOM 773 CE LYS A 53 3.150 -9.692 8.898 1.00 0.01 C ATOM 774 NZ LYS A 53 4.519 -9.105 8.878 1.00 0.00 N ATOM 0 H LYS A 53 6.376 -12.611 6.206 1.00 0.01 H new ATOM 0 HA LYS A 53 5.433 -14.165 8.474 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.054 -12.691 6.174 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.155 -13.520 7.429 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.295 -12.118 9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.193 -11.288 7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.084 -10.476 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.134 -11.394 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.414 -8.931 8.638 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.908 -10.040 9.902 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 4.524 -8.217 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.190 -9.775 9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.800 -8.913 7.895 1.00 0.00 H new ATOM 788 N LYS A 54 5.562 -15.630 5.630 1.00 0.00 N ATOM 789 CA LYS A 54 5.231 -16.913 4.933 1.00 0.01 C ATOM 790 C LYS A 54 6.162 -18.016 5.433 1.00 0.01 C ATOM 791 O LYS A 54 5.847 -19.188 5.365 1.00 0.01 O ATOM 792 CB LYS A 54 5.426 -16.724 3.425 1.00 0.01 C ATOM 793 CG LYS A 54 4.340 -15.790 2.883 1.00 0.01 C ATOM 794 CD LYS A 54 4.531 -15.600 1.376 1.00 0.00 C ATOM 795 CE LYS A 54 3.445 -14.665 0.839 1.00 0.01 C ATOM 796 NZ LYS A 54 3.615 -13.314 1.446 1.00 0.01 N ATOM 0 H LYS A 54 6.293 -15.070 5.192 1.00 0.00 H new ATOM 0 HA LYS A 54 4.198 -17.192 5.139 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.413 -16.307 3.225 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.378 -17.688 2.918 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.353 -16.207 3.085 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.389 -14.826 3.390 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.518 -15.183 1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.481 -16.563 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.510 -14.599 -0.247 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.458 -15.061 1.076 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 3.261 -12.591 0.788 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 3.080 -13.264 2.336 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 4.623 -13.144 1.638 1.00 0.01 H new ATOM 810 N ILE A 55 7.298 -17.651 5.951 1.00 0.01 N ATOM 811 CA ILE A 55 8.243 -18.671 6.477 1.00 0.01 C ATOM 812 C ILE A 55 7.760 -19.156 7.850 1.00 0.00 C ATOM 813 O ILE A 55 7.656 -18.387 8.786 1.00 0.01 O ATOM 814 CB ILE A 55 9.631 -18.044 6.596 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.130 -17.685 5.194 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.595 -19.040 7.245 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.373 -16.803 5.298 1.00 0.01 C ATOM 0 H ILE A 55 7.615 -16.685 6.033 1.00 0.01 H new ATOM 0 HA ILE A 55 8.289 -19.524 5.800 1.00 0.01 H new ATOM 0 HB ILE A 55 9.580 -17.147 7.214 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.362 -18.593 4.637 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.348 -17.164 4.642 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.584 -18.588 7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.232 -19.303 8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.657 -19.939 6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.724 -16.550 4.298 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.126 -15.889 5.838 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.156 -17.340 5.833 1.00 0.01 H new ATOM 829 N LYS A 56 7.466 -20.425 7.980 1.00 0.01 N ATOM 830 CA LYS A 56 6.991 -20.960 9.296 1.00 0.01 C ATOM 831 C LYS A 56 8.170 -21.573 10.046 1.00 0.01 C ATOM 832 O LYS A 56 8.024 -22.077 11.138 1.00 0.01 O ATOM 833 CB LYS A 56 5.932 -22.036 9.067 1.00 0.01 C ATOM 834 CG LYS A 56 4.700 -21.411 8.417 1.00 0.01 C ATOM 835 CD LYS A 56 3.643 -22.491 8.189 1.00 0.00 C ATOM 836 CE LYS A 56 2.409 -21.866 7.539 1.00 0.00 C ATOM 837 NZ LYS A 56 2.809 -21.180 6.279 1.00 0.00 N ATOM 0 H LYS A 56 7.534 -21.115 7.232 1.00 0.01 H new ATOM 0 HA LYS A 56 6.561 -20.146 9.879 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.332 -22.824 8.429 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.660 -22.500 10.015 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.299 -20.623 9.055 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.972 -20.947 7.469 1.00 0.01 H new ATOM 0 HD2 LYS A 56 4.044 -23.279 7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.372 -22.956 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.666 -22.635 7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.945 -21.155 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.984 -21.099 5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.171 -20.230 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.552 -21.731 5.804 1.00 0.00 H new ATOM 851 N SER A 57 9.336 -21.537 9.460 1.00 0.00 N ATOM 852 CA SER A 57 10.542 -22.117 10.126 1.00 0.01 C ATOM 853 C SER A 57 11.315 -20.989 10.845 1.00 0.01 C ATOM 854 O SER A 57 11.902 -20.152 10.188 1.00 0.00 O ATOM 855 CB SER A 57 11.449 -22.724 9.053 1.00 0.01 C ATOM 856 OG SER A 57 10.788 -23.828 8.446 1.00 0.01 O ATOM 0 H SER A 57 9.508 -21.128 8.542 1.00 0.00 H new ATOM 0 HA SER A 57 10.240 -22.879 10.845 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.694 -21.974 8.301 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.390 -23.049 9.497 1.00 0.01 H new ATOM 0 HG SER A 57 11.366 -24.217 7.757 1.00 0.01 H new ATOM 862 N PRO A 58 11.338 -20.935 12.169 1.00 0.00 N ATOM 863 CA PRO A 58 12.086 -19.848 12.857 1.00 0.01 C ATOM 864 C PRO A 58 13.601 -20.001 12.675 1.00 0.00 C ATOM 865 O PRO A 58 14.380 -19.184 13.125 1.00 0.00 O ATOM 866 CB PRO A 58 11.668 -20.020 14.333 1.00 0.01 C ATOM 867 CG PRO A 58 10.876 -21.337 14.466 1.00 0.01 C ATOM 868 CD PRO A 58 10.646 -21.917 13.057 1.00 0.01 C ATOM 0 HA PRO A 58 11.860 -18.857 12.462 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.548 -20.040 14.976 1.00 0.01 H new ATOM 0 HB3 PRO A 58 11.057 -19.176 14.655 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.425 -22.048 15.083 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.922 -21.156 14.961 1.00 0.01 H new ATOM 0 HD2 PRO A 58 11.069 -22.917 12.959 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.585 -21.995 12.822 1.00 0.01 H new ATOM 876 N SER A 59 14.018 -21.049 12.020 1.00 0.01 N ATOM 877 CA SER A 59 15.475 -21.273 11.805 1.00 0.01 C ATOM 878 C SER A 59 15.939 -20.528 10.552 1.00 0.01 C ATOM 879 O SER A 59 17.086 -20.143 10.440 1.00 0.01 O ATOM 880 CB SER A 59 15.733 -22.769 11.627 1.00 0.01 C ATOM 881 OG SER A 59 15.287 -23.172 10.339 1.00 0.01 O ATOM 0 H SER A 59 13.409 -21.764 11.622 1.00 0.01 H new ATOM 0 HA SER A 59 16.027 -20.901 12.668 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.796 -22.982 11.740 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.211 -23.334 12.399 1.00 0.01 H new ATOM 0 HG SER A 59 15.452 -24.131 10.221 1.00 0.01 H new ATOM 887 N LYS A 60 15.064 -20.322 9.601 1.00 0.00 N ATOM 888 CA LYS A 60 15.477 -19.605 8.356 1.00 0.00 C ATOM 889 C LYS A 60 15.244 -18.104 8.521 1.00 0.01 C ATOM 890 O LYS A 60 15.773 -17.298 7.780 1.00 0.01 O ATOM 891 CB LYS A 60 14.649 -20.113 7.176 1.00 0.01 C ATOM 892 CG LYS A 60 14.907 -21.605 6.980 1.00 0.01 C ATOM 893 CD LYS A 60 14.080 -22.113 5.800 1.00 0.01 C ATOM 894 CE LYS A 60 14.339 -23.608 5.602 1.00 0.01 C ATOM 895 NZ LYS A 60 13.469 -24.122 4.507 1.00 0.01 N ATOM 0 H LYS A 60 14.088 -20.617 9.631 1.00 0.00 H new ATOM 0 HA LYS A 60 16.535 -19.791 8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.589 -19.937 7.359 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.911 -19.565 6.271 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.967 -21.781 6.798 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.644 -22.153 7.885 1.00 0.01 H new ATOM 0 HD2 LYS A 60 13.020 -21.938 5.983 1.00 0.01 H new ATOM 0 HD3 LYS A 60 14.342 -21.565 4.895 1.00 0.01 H new ATOM 0 HE2 LYS A 60 15.388 -23.777 5.357 1.00 0.01 H new ATOM 0 HE3 LYS A 60 14.136 -24.149 6.526 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 13.645 -25.138 4.372 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 12.471 -23.974 4.758 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 13.684 -23.614 3.625 1.00 0.01 H new ATOM 909 N LEU A 61 14.458 -17.718 9.487 1.00 0.01 N ATOM 910 CA LEU A 61 14.194 -16.268 9.699 1.00 0.01 C ATOM 911 C LEU A 61 15.508 -15.542 10.003 1.00 0.01 C ATOM 912 O LEU A 61 15.738 -14.438 9.551 1.00 0.01 O ATOM 913 CB LEU A 61 13.221 -16.087 10.871 1.00 0.01 C ATOM 914 CG LEU A 61 11.869 -16.753 10.559 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.904 -16.521 11.736 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.264 -16.168 9.266 1.00 0.01 C ATOM 0 H LEU A 61 13.987 -18.345 10.139 1.00 0.01 H new ATOM 0 HA LEU A 61 13.752 -15.847 8.796 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.647 -16.522 11.775 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.073 -15.025 11.067 1.00 0.01 H new ATOM 0 HG LEU A 61 12.025 -17.822 10.416 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.945 -16.991 11.518 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.324 -16.956 12.642 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.758 -15.451 11.881 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.308 -16.650 9.061 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.110 -15.096 9.389 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.945 -16.344 8.434 1.00 0.01 H new ATOM 928 N SER A 62 16.367 -16.145 10.777 1.00 0.00 N ATOM 929 CA SER A 62 17.661 -15.485 11.119 1.00 0.01 C ATOM 930 C SER A 62 18.388 -15.003 9.845 1.00 0.01 C ATOM 931 O SER A 62 18.574 -13.815 9.664 1.00 0.01 O ATOM 932 CB SER A 62 18.532 -16.466 11.919 1.00 0.01 C ATOM 933 OG SER A 62 18.386 -16.187 13.304 1.00 0.01 O ATOM 0 H SER A 62 16.230 -17.068 11.189 1.00 0.00 H new ATOM 0 HA SER A 62 17.465 -14.604 11.731 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.234 -17.493 11.708 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.577 -16.370 11.623 1.00 0.01 H new ATOM 0 HG SER A 62 18.937 -16.809 13.823 1.00 0.01 H new ATOM 939 N PRO A 63 18.806 -15.889 8.963 1.00 0.00 N ATOM 940 CA PRO A 63 19.517 -15.460 7.726 1.00 0.00 C ATOM 941 C PRO A 63 18.894 -14.212 7.079 1.00 0.01 C ATOM 942 O PRO A 63 19.568 -13.231 6.831 1.00 0.00 O ATOM 943 CB PRO A 63 19.383 -16.700 6.821 1.00 0.01 C ATOM 944 CG PRO A 63 18.834 -17.866 7.674 1.00 0.01 C ATOM 945 CD PRO A 63 18.619 -17.359 9.115 1.00 0.01 C ATOM 0 HA PRO A 63 20.548 -15.161 7.915 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.713 -16.491 5.987 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.350 -16.965 6.394 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.896 -18.231 7.257 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.533 -18.702 7.667 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.626 -17.606 9.490 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.339 -17.791 9.810 1.00 0.01 H new ATOM 953 N LYS A 64 17.621 -14.243 6.789 1.00 0.01 N ATOM 954 CA LYS A 64 16.981 -13.061 6.146 1.00 0.01 C ATOM 955 C LYS A 64 16.790 -11.933 7.164 1.00 0.00 C ATOM 956 O LYS A 64 16.883 -10.768 6.830 1.00 0.00 O ATOM 957 CB LYS A 64 15.621 -13.461 5.577 1.00 0.00 C ATOM 958 CG LYS A 64 14.710 -13.923 6.714 1.00 0.01 C ATOM 959 CD LYS A 64 13.411 -14.492 6.139 1.00 0.01 C ATOM 960 CE LYS A 64 12.706 -13.432 5.279 1.00 0.01 C ATOM 961 NZ LYS A 64 13.275 -13.453 3.902 1.00 0.00 N ATOM 0 H LYS A 64 17.000 -15.032 6.969 1.00 0.01 H new ATOM 0 HA LYS A 64 17.630 -12.708 5.344 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.170 -12.617 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.741 -14.260 4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.216 -14.680 7.313 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.489 -13.087 7.378 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.626 -15.375 5.538 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.754 -14.810 6.949 1.00 0.01 H new ATOM 0 HE2 LYS A 64 11.635 -13.630 5.245 1.00 0.01 H new ATOM 0 HE3 LYS A 64 12.834 -12.444 5.722 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 13.787 -12.566 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.930 -14.255 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.505 -13.553 3.210 1.00 0.00 H new ATOM 975 N ALA A 65 16.516 -12.257 8.400 1.00 0.00 N ATOM 976 CA ALA A 65 16.316 -11.180 9.409 1.00 0.01 C ATOM 977 C ALA A 65 17.567 -10.307 9.454 1.00 0.01 C ATOM 978 O ALA A 65 17.490 -9.095 9.436 1.00 0.01 O ATOM 979 CB ALA A 65 16.077 -11.798 10.789 1.00 0.01 C ATOM 0 H ALA A 65 16.423 -13.210 8.750 1.00 0.00 H new ATOM 0 HA ALA A 65 15.450 -10.578 9.134 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.931 -11.005 11.523 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.189 -12.429 10.756 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.940 -12.400 11.072 1.00 0.01 H new ATOM 985 N LYS A 66 18.718 -10.912 9.506 1.00 0.01 N ATOM 986 CA LYS A 66 19.976 -10.121 9.546 1.00 0.00 C ATOM 987 C LYS A 66 20.064 -9.258 8.288 1.00 0.01 C ATOM 988 O LYS A 66 20.336 -8.076 8.352 1.00 0.01 O ATOM 989 CB LYS A 66 21.163 -11.083 9.586 1.00 0.01 C ATOM 990 CG LYS A 66 21.172 -11.826 10.923 1.00 0.01 C ATOM 991 CD LYS A 66 22.356 -12.791 10.972 1.00 0.01 C ATOM 992 CE LYS A 66 22.355 -13.527 12.313 1.00 0.00 C ATOM 993 NZ LYS A 66 21.103 -14.329 12.440 1.00 0.00 N ATOM 0 H LYS A 66 18.842 -11.924 9.523 1.00 0.01 H new ATOM 0 HA LYS A 66 19.989 -9.482 10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.096 -11.794 8.763 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.095 -10.533 9.457 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.238 -11.113 11.745 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.239 -12.374 11.051 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.291 -13.506 10.152 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.291 -12.245 10.845 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.226 -14.179 12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.426 -12.812 13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.303 -15.203 12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.386 -13.774 12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.747 -14.569 11.493 1.00 0.00 H new ATOM 1007 N LYS A 67 19.838 -9.840 7.141 1.00 0.00 N ATOM 1008 CA LYS A 67 19.913 -9.049 5.880 1.00 0.00 C ATOM 1009 C LYS A 67 18.809 -7.991 5.873 1.00 0.01 C ATOM 1010 O LYS A 67 19.044 -6.843 5.552 1.00 0.01 O ATOM 1011 CB LYS A 67 19.735 -9.980 4.683 1.00 0.00 C ATOM 1012 CG LYS A 67 20.964 -10.880 4.553 1.00 0.01 C ATOM 1013 CD LYS A 67 20.787 -11.813 3.355 1.00 0.00 C ATOM 1014 CE LYS A 67 22.015 -12.717 3.218 1.00 0.00 C ATOM 1015 NZ LYS A 67 23.198 -11.897 2.834 1.00 0.01 N ATOM 0 H LYS A 67 19.605 -10.826 7.023 1.00 0.00 H new ATOM 0 HA LYS A 67 20.884 -8.559 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.838 -10.586 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.599 -9.397 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.861 -10.273 4.426 1.00 0.01 H new ATOM 0 HG3 LYS A 67 21.100 -11.462 5.464 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.890 -12.419 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.650 -11.229 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.207 -13.232 4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.832 -13.485 2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.946 -12.518 2.464 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.923 -11.212 2.101 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 23.553 -11.387 3.668 1.00 0.01 H new ATOM 1029 N ILE A 68 17.607 -8.358 6.233 1.00 0.01 N ATOM 1030 CA ILE A 68 16.511 -7.351 6.248 1.00 0.00 C ATOM 1031 C ILE A 68 16.772 -6.363 7.385 1.00 0.01 C ATOM 1032 O ILE A 68 16.658 -5.164 7.226 1.00 0.00 O ATOM 1033 CB ILE A 68 15.163 -8.046 6.471 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.823 -8.910 5.252 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.070 -6.990 6.666 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.614 -9.791 5.575 1.00 0.00 C ATOM 0 H ILE A 68 17.341 -9.302 6.514 1.00 0.01 H new ATOM 0 HA ILE A 68 16.481 -6.826 5.293 1.00 0.00 H new ATOM 0 HB ILE A 68 15.224 -8.677 7.358 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.606 -8.276 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.678 -9.531 4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.111 -7.484 6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.309 -6.375 7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.011 -6.359 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.371 -10.406 4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.849 -10.434 6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.760 -9.160 5.824 1.00 0.00 H new ATOM 1048 N TYR A 69 17.132 -6.869 8.532 1.00 0.00 N ATOM 1049 CA TYR A 69 17.418 -5.984 9.693 1.00 0.01 C ATOM 1050 C TYR A 69 18.570 -5.041 9.349 1.00 0.00 C ATOM 1051 O TYR A 69 18.501 -3.847 9.570 1.00 0.01 O ATOM 1052 CB TYR A 69 17.816 -6.844 10.894 1.00 0.01 C ATOM 1053 CG TYR A 69 18.169 -5.955 12.062 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.478 -5.482 12.207 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.191 -5.609 13.001 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.811 -4.664 13.292 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.524 -4.789 14.087 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.834 -4.317 14.232 1.00 0.01 C ATOM 1059 OH TYR A 69 19.161 -3.507 15.302 1.00 0.01 O ATOM 0 H TYR A 69 17.241 -7.867 8.715 1.00 0.00 H new ATOM 0 HA TYR A 69 16.529 -5.400 9.932 1.00 0.01 H new ATOM 0 HB2 TYR A 69 16.996 -7.509 11.165 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.666 -7.476 10.635 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.232 -5.749 11.481 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.181 -5.974 12.889 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.822 -4.300 13.404 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.770 -4.521 14.812 1.00 0.01 H new ATOM 0 HH TYR A 69 18.514 -2.774 15.367 1.00 0.01 H new ATOM 1069 N ASN A 70 19.639 -5.578 8.830 1.00 0.01 N ATOM 1070 CA ASN A 70 20.816 -4.733 8.491 1.00 0.00 C ATOM 1071 C ASN A 70 20.480 -3.741 7.375 1.00 0.00 C ATOM 1072 O ASN A 70 20.920 -2.609 7.388 1.00 0.01 O ATOM 1073 CB ASN A 70 21.964 -5.631 8.026 1.00 0.00 C ATOM 1074 CG ASN A 70 22.500 -6.427 9.215 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.443 -5.976 10.341 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.023 -7.606 9.011 1.00 0.01 N ATOM 0 H ASN A 70 19.748 -6.571 8.625 1.00 0.01 H new ATOM 0 HA ASN A 70 21.103 -4.173 9.381 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.617 -6.310 7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.760 -5.026 7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.383 -8.147 9.797 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.071 -7.986 8.066 1.00 0.01 H new ATOM 1083 N GLU A 71 19.736 -4.161 6.391 1.00 0.00 N ATOM 1084 CA GLU A 71 19.412 -3.243 5.262 1.00 0.00 C ATOM 1085 C GLU A 71 18.252 -2.300 5.602 1.00 0.00 C ATOM 1086 O GLU A 71 18.193 -1.203 5.091 1.00 0.00 O ATOM 1087 CB GLU A 71 19.043 -4.076 4.034 1.00 0.00 C ATOM 1088 CG GLU A 71 20.293 -4.779 3.501 1.00 0.00 C ATOM 1089 CD GLU A 71 19.930 -5.619 2.275 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.791 -5.545 1.844 1.00 0.00 O ATOM 1091 OE2 GLU A 71 20.798 -6.326 1.788 1.00 0.00 O ATOM 0 H GLU A 71 19.339 -5.098 6.319 1.00 0.00 H new ATOM 0 HA GLU A 71 20.291 -2.629 5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.282 -4.812 4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.615 -3.436 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 71 21.052 -4.042 3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 71 20.722 -5.415 4.275 1.00 0.00 H new ATOM 1098 N PHE A 72 17.304 -2.722 6.411 1.00 0.00 N ATOM 1099 CA PHE A 72 16.125 -1.838 6.720 1.00 0.00 C ATOM 1100 C PHE A 72 16.101 -1.334 8.175 1.00 0.00 C ATOM 1101 O PHE A 72 15.571 -0.275 8.438 1.00 0.00 O ATOM 1102 CB PHE A 72 14.845 -2.638 6.470 1.00 0.00 C ATOM 1103 CG PHE A 72 14.671 -2.864 4.987 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.232 -3.991 4.385 1.00 0.00 C ATOM 1105 CD2 PHE A 72 13.949 -1.947 4.217 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.072 -4.206 3.011 1.00 0.00 C ATOM 1107 CE2 PHE A 72 13.786 -2.159 2.843 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.348 -3.290 2.239 1.00 0.00 C ATOM 0 H PHE A 72 17.294 -3.634 6.869 1.00 0.00 H new ATOM 0 HA PHE A 72 16.202 -0.962 6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.894 -3.594 6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 72 13.985 -2.101 6.870 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.790 -4.698 4.980 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.517 -1.074 4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.507 -5.079 2.547 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.227 -1.451 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.223 -3.455 1.179 1.00 0.00 H new ATOM 1118 N ILE A 73 16.603 -2.082 9.130 1.00 0.00 N ATOM 1119 CA ILE A 73 16.513 -1.622 10.563 1.00 0.00 C ATOM 1120 C ILE A 73 17.829 -1.031 11.077 1.00 0.00 C ATOM 1121 O ILE A 73 17.821 -0.095 11.851 1.00 0.01 O ATOM 1122 CB ILE A 73 16.130 -2.818 11.441 1.00 0.00 C ATOM 1123 CG1 ILE A 73 14.774 -3.398 10.990 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.039 -2.372 12.905 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.664 -2.331 11.029 1.00 0.00 C ATOM 0 H ILE A 73 17.066 -2.980 8.987 1.00 0.00 H new ATOM 0 HA ILE A 73 15.760 -0.835 10.610 1.00 0.00 H new ATOM 0 HB ILE A 73 16.894 -3.589 11.342 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.865 -3.794 9.978 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.501 -4.233 11.636 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.766 -3.224 13.528 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.004 -1.981 13.227 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.282 -1.594 13.002 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.722 -2.774 10.705 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.557 -1.954 12.046 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.926 -1.509 10.363 1.00 0.00 H new ATOM 1137 N SER A 74 18.954 -1.557 10.693 1.00 0.01 N ATOM 1138 CA SER A 74 20.229 -0.989 11.224 1.00 0.00 C ATOM 1139 C SER A 74 20.336 0.494 10.868 1.00 0.00 C ATOM 1140 O SER A 74 19.992 0.914 9.781 1.00 0.01 O ATOM 1141 CB SER A 74 21.427 -1.743 10.647 1.00 0.00 C ATOM 1142 OG SER A 74 21.535 -3.005 11.291 1.00 0.01 O ATOM 0 H SER A 74 19.051 -2.341 10.047 1.00 0.01 H new ATOM 0 HA SER A 74 20.229 -1.097 12.309 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.304 -1.878 9.572 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.340 -1.167 10.793 1.00 0.00 H new ATOM 0 HG SER A 74 20.751 -3.150 11.860 1.00 0.01 H new ATOM 1148 N VAL A 75 20.820 1.288 11.786 1.00 0.01 N ATOM 1149 CA VAL A 75 20.968 2.746 11.525 1.00 0.01 C ATOM 1150 C VAL A 75 21.883 2.953 10.319 1.00 0.00 C ATOM 1151 O VAL A 75 21.990 4.042 9.789 1.00 0.00 O ATOM 1152 CB VAL A 75 21.580 3.423 12.753 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.665 3.213 13.963 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.951 2.804 13.041 1.00 0.00 C ATOM 0 H VAL A 75 21.121 0.985 12.712 1.00 0.01 H new ATOM 0 HA VAL A 75 19.990 3.182 11.320 1.00 0.01 H new ATOM 0 HB VAL A 75 21.691 4.490 12.563 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.102 3.696 14.837 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.687 3.648 13.759 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.555 2.146 14.155 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.390 3.284 13.915 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.836 1.737 13.232 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.604 2.950 12.181 1.00 0.00 H new ATOM 1164 N GLN A 76 22.545 1.916 9.879 1.00 0.01 N ATOM 1165 CA GLN A 76 23.458 2.049 8.705 1.00 0.01 C ATOM 1166 C GLN A 76 22.691 1.670 7.441 1.00 0.01 C ATOM 1167 O GLN A 76 23.199 1.761 6.341 1.00 0.01 O ATOM 1168 CB GLN A 76 24.641 1.098 8.875 1.00 0.00 C ATOM 1169 CG GLN A 76 25.472 1.530 10.081 1.00 0.01 C ATOM 1170 CD GLN A 76 26.548 0.480 10.360 1.00 0.01 C ATOM 1171 OE1 GLN A 76 26.434 -0.651 9.931 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.593 0.809 11.065 1.00 0.01 N ATOM 0 H GLN A 76 22.493 0.981 10.282 1.00 0.01 H new ATOM 0 HA GLN A 76 23.820 3.074 8.631 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.284 0.077 9.013 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.257 1.102 7.975 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.934 2.498 9.890 1.00 0.01 H new ATOM 0 HG3 GLN A 76 24.831 1.650 10.954 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.687 1.759 11.424 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.317 0.117 11.257 1.00 0.01 H new ATOM 1181 N ALA A 77 21.468 1.251 7.594 1.00 0.01 N ATOM 1182 CA ALA A 77 20.654 0.872 6.409 1.00 0.00 C ATOM 1183 C ALA A 77 20.719 1.997 5.371 1.00 0.01 C ATOM 1184 O ALA A 77 20.491 3.150 5.681 1.00 0.00 O ATOM 1185 CB ALA A 77 19.198 0.659 6.854 1.00 0.00 C ATOM 0 H ALA A 77 20.995 1.154 8.493 1.00 0.01 H new ATOM 0 HA ALA A 77 21.040 -0.047 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 77 18.591 0.380 5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.158 -0.136 7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.811 1.581 7.287 1.00 0.00 H new ATOM 1191 N THR A 78 21.011 1.675 4.140 1.00 0.01 N ATOM 1192 CA THR A 78 21.064 2.739 3.100 1.00 0.01 C ATOM 1193 C THR A 78 19.639 3.223 2.849 1.00 0.01 C ATOM 1194 O THR A 78 19.414 4.292 2.321 1.00 0.00 O ATOM 1195 CB THR A 78 21.651 2.179 1.803 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.782 1.183 1.282 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.022 1.566 2.088 1.00 0.01 C ATOM 0 H THR A 78 21.213 0.730 3.813 1.00 0.01 H new ATOM 0 HA THR A 78 21.695 3.561 3.438 1.00 0.01 H new ATOM 0 HB THR A 78 21.758 2.982 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.156 0.825 0.450 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.441 1.167 1.164 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.687 2.332 2.487 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.917 0.762 2.816 1.00 0.01 H new ATOM 1205 N LYS A 79 18.674 2.432 3.250 1.00 0.00 N ATOM 1206 CA LYS A 79 17.241 2.808 3.076 1.00 0.00 C ATOM 1207 C LYS A 79 16.534 2.643 4.421 1.00 0.00 C ATOM 1208 O LYS A 79 15.760 1.728 4.624 1.00 0.00 O ATOM 1209 CB LYS A 79 16.587 1.903 2.023 1.00 0.00 C ATOM 1210 CG LYS A 79 17.043 0.454 2.218 1.00 0.00 C ATOM 1211 CD LYS A 79 16.383 -0.431 1.158 1.00 0.01 C ATOM 1212 CE LYS A 79 16.971 -1.842 1.226 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.300 -2.708 0.213 1.00 0.00 N ATOM 0 H LYS A 79 18.824 1.528 3.697 1.00 0.00 H new ATOM 0 HA LYS A 79 17.163 3.841 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.502 1.965 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.853 2.245 1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.128 0.388 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.775 0.107 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.306 -0.467 1.320 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.542 -0.008 0.166 1.00 0.01 H new ATOM 0 HE2 LYS A 79 18.044 -1.810 1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.833 -2.258 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.764 -3.457 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.650 -2.132 -0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.017 -3.139 -0.405 1.00 0.00 H new ATOM 1227 N GLU A 80 16.805 3.526 5.341 1.00 0.00 N ATOM 1228 CA GLU A 80 16.167 3.435 6.682 1.00 0.00 C ATOM 1229 C GLU A 80 14.649 3.526 6.524 1.00 0.00 C ATOM 1230 O GLU A 80 14.150 4.178 5.629 1.00 0.00 O ATOM 1231 CB GLU A 80 16.661 4.592 7.552 1.00 0.00 C ATOM 1232 CG GLU A 80 18.144 4.394 7.872 1.00 0.00 C ATOM 1233 CD GLU A 80 18.643 5.569 8.715 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.897 6.524 8.860 1.00 0.01 O ATOM 1235 OE2 GLU A 80 19.760 5.495 9.198 1.00 0.00 O ATOM 0 H GLU A 80 17.445 4.311 5.220 1.00 0.00 H new ATOM 0 HA GLU A 80 16.428 2.487 7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.513 5.539 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.082 4.640 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.289 3.458 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.720 4.323 6.949 1.00 0.00 H new ATOM 1242 N VAL A 81 13.912 2.873 7.385 1.00 0.00 N ATOM 1243 CA VAL A 81 12.417 2.906 7.297 1.00 0.00 C ATOM 1244 C VAL A 81 11.869 3.773 8.429 1.00 0.00 C ATOM 1245 O VAL A 81 12.440 3.846 9.497 1.00 0.00 O ATOM 1246 CB VAL A 81 11.873 1.486 7.449 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.268 0.648 6.232 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.463 0.858 8.712 1.00 0.00 C ATOM 0 H VAL A 81 14.283 2.313 8.153 1.00 0.00 H new ATOM 0 HA VAL A 81 12.114 3.317 6.334 1.00 0.00 H new ATOM 0 HB VAL A 81 10.786 1.518 7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.878 -0.364 6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.853 1.098 5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.354 0.611 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.079 -0.156 8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.549 0.828 8.630 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.181 1.454 9.580 1.00 0.00 H new ATOM 1258 N ASN A 82 10.768 4.433 8.206 1.00 0.00 N ATOM 1259 CA ASN A 82 10.202 5.292 9.278 1.00 0.00 C ATOM 1260 C ASN A 82 9.554 4.410 10.349 1.00 0.00 C ATOM 1261 O ASN A 82 8.487 3.860 10.161 1.00 0.00 O ATOM 1262 CB ASN A 82 9.154 6.235 8.676 1.00 0.00 C ATOM 1263 CG ASN A 82 8.298 5.471 7.663 1.00 0.00 C ATOM 1264 OD1 ASN A 82 7.694 6.064 6.791 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.220 4.172 7.742 1.00 0.00 N ATOM 0 H ASN A 82 10.240 4.415 7.334 1.00 0.00 H new ATOM 0 HA ASN A 82 10.997 5.883 9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.523 6.645 9.465 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.645 7.078 8.190 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.652 3.653 7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.727 3.674 8.474 1.00 0.00 H new ATOM 1272 N LEU A 83 10.201 4.279 11.479 1.00 0.00 N ATOM 1273 CA LEU A 83 9.649 3.444 12.588 1.00 0.00 C ATOM 1274 C LEU A 83 10.016 4.097 13.919 1.00 0.00 C ATOM 1275 O LEU A 83 10.871 4.957 13.984 1.00 0.00 O ATOM 1276 CB LEU A 83 10.253 2.033 12.547 1.00 0.01 C ATOM 1277 CG LEU A 83 9.741 1.257 11.323 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.488 -0.078 11.232 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.227 0.990 11.450 1.00 0.00 C ATOM 0 H LEU A 83 11.098 4.720 11.682 1.00 0.00 H new ATOM 0 HA LEU A 83 8.567 3.371 12.478 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.340 2.099 12.513 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.994 1.495 13.459 1.00 0.01 H new ATOM 0 HG LEU A 83 9.917 1.848 10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.132 -0.636 10.366 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.557 0.109 11.128 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.308 -0.658 12.137 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.880 0.440 10.575 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.035 0.403 12.348 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.695 1.939 11.516 1.00 0.00 H new ATOM 1291 N ASP A 84 9.376 3.697 14.980 1.00 0.01 N ATOM 1292 CA ASP A 84 9.686 4.297 16.305 1.00 0.00 C ATOM 1293 C ASP A 84 11.047 3.789 16.788 1.00 0.00 C ATOM 1294 O ASP A 84 11.539 2.774 16.336 1.00 0.00 O ATOM 1295 CB ASP A 84 8.606 3.894 17.309 1.00 0.00 C ATOM 1296 CG ASP A 84 7.292 4.593 16.951 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.344 5.577 16.233 1.00 0.00 O ATOM 1298 OD2 ASP A 84 6.257 4.124 17.396 1.00 0.01 O ATOM 0 H ASP A 84 8.651 2.980 14.987 1.00 0.01 H new ATOM 0 HA ASP A 84 9.714 5.383 16.217 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.470 2.813 17.299 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.913 4.167 18.319 1.00 0.00 H new ATOM 1303 N SER A 85 11.660 4.488 17.705 1.00 0.00 N ATOM 1304 CA SER A 85 12.988 4.047 18.220 1.00 0.01 C ATOM 1305 C SER A 85 12.819 2.754 19.019 1.00 0.01 C ATOM 1306 O SER A 85 13.750 1.996 19.198 1.00 0.00 O ATOM 1307 CB SER A 85 13.574 5.131 19.127 1.00 0.01 C ATOM 1308 OG SER A 85 14.839 4.701 19.616 1.00 0.00 O ATOM 0 H SER A 85 11.298 5.346 18.120 1.00 0.00 H new ATOM 0 HA SER A 85 13.662 3.874 17.381 1.00 0.01 H new ATOM 0 HB2 SER A 85 13.683 6.064 18.574 1.00 0.01 H new ATOM 0 HB3 SER A 85 12.898 5.330 19.959 1.00 0.01 H new ATOM 0 HG SER A 85 15.218 5.394 20.196 1.00 0.00 H new ATOM 1314 N CYS A 86 11.636 2.500 19.510 1.00 0.01 N ATOM 1315 CA CYS A 86 11.407 1.260 20.307 1.00 0.01 C ATOM 1316 C CYS A 86 11.168 0.074 19.365 1.00 0.00 C ATOM 1317 O CYS A 86 11.650 -1.016 19.594 1.00 0.01 O ATOM 1318 CB CYS A 86 10.183 1.459 21.202 1.00 0.01 C ATOM 1319 SG CYS A 86 10.473 2.858 22.314 1.00 0.01 S ATOM 0 H CYS A 86 10.818 3.098 19.394 1.00 0.01 H new ATOM 0 HA CYS A 86 12.283 1.055 20.922 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.299 1.642 20.592 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.990 0.555 21.780 1.00 0.01 H new ATOM 0 HG CYS A 86 9.433 3.031 23.074 1.00 0.01 H new ATOM 1325 N THR A 87 10.426 0.278 18.313 1.00 0.00 N ATOM 1326 CA THR A 87 10.158 -0.842 17.364 1.00 0.00 C ATOM 1327 C THR A 87 11.474 -1.368 16.781 1.00 0.00 C ATOM 1328 O THR A 87 11.703 -2.560 16.733 1.00 0.01 O ATOM 1329 CB THR A 87 9.265 -0.344 16.227 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.032 0.114 16.762 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.006 -1.478 15.236 1.00 0.00 C ATOM 0 H THR A 87 9.994 1.169 18.068 1.00 0.00 H new ATOM 0 HA THR A 87 9.658 -1.648 17.901 1.00 0.00 H new ATOM 0 HB THR A 87 9.764 0.475 15.709 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.348 -0.578 16.645 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.369 -1.117 14.428 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.954 -1.824 14.824 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.510 -2.303 15.748 1.00 0.00 H new ATOM 1339 N ARG A 88 12.336 -0.499 16.326 1.00 0.01 N ATOM 1340 CA ARG A 88 13.622 -0.978 15.743 1.00 0.00 C ATOM 1341 C ARG A 88 14.386 -1.759 16.807 1.00 0.00 C ATOM 1342 O ARG A 88 14.877 -2.846 16.570 1.00 0.01 O ATOM 1343 CB ARG A 88 14.475 0.216 15.308 1.00 0.00 C ATOM 1344 CG ARG A 88 13.836 0.899 14.098 1.00 0.00 C ATOM 1345 CD ARG A 88 14.701 2.085 13.679 1.00 0.00 C ATOM 1346 NE ARG A 88 14.058 2.800 12.541 1.00 0.01 N ATOM 1347 CZ ARG A 88 14.461 3.998 12.222 1.00 0.00 C ATOM 1348 NH1 ARG A 88 15.434 4.551 12.890 1.00 0.00 N ATOM 1349 NH2 ARG A 88 13.899 4.640 11.237 1.00 0.01 N ATOM 0 H ARG A 88 12.207 0.513 16.332 1.00 0.01 H new ATOM 0 HA ARG A 88 13.412 -1.610 14.880 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.569 0.926 16.130 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.482 -0.117 15.058 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.742 0.192 13.273 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.829 1.236 14.345 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.834 2.766 14.520 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.693 1.739 13.389 1.00 0.00 H new ATOM 0 HE ARG A 88 13.307 2.355 12.014 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.876 4.047 13.658 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.753 5.488 12.644 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.140 4.205 10.712 1.00 0.01 H new ATOM 0 HH22 ARG A 88 14.218 5.577 10.991 1.00 0.01 H new ATOM 1363 N GLU A 89 14.481 -1.209 17.983 1.00 0.01 N ATOM 1364 CA GLU A 89 15.205 -1.906 19.081 1.00 0.01 C ATOM 1365 C GLU A 89 14.534 -3.247 19.364 1.00 0.01 C ATOM 1366 O GLU A 89 15.187 -4.242 19.604 1.00 0.00 O ATOM 1367 CB GLU A 89 15.164 -1.041 20.341 1.00 0.01 C ATOM 1368 CG GLU A 89 16.045 0.194 20.134 1.00 0.01 C ATOM 1369 CD GLU A 89 15.937 1.112 21.352 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.080 0.864 22.184 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.710 2.052 21.430 1.00 0.01 O ATOM 0 H GLU A 89 14.087 -0.302 18.233 1.00 0.01 H new ATOM 0 HA GLU A 89 16.241 -2.075 18.786 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.139 -0.739 20.556 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.515 -1.613 21.200 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.082 -0.108 19.984 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.735 0.728 19.235 1.00 0.01 H new ATOM 1378 N GLU A 90 13.233 -3.283 19.338 1.00 0.00 N ATOM 1379 CA GLU A 90 12.526 -4.563 19.611 1.00 0.01 C ATOM 1380 C GLU A 90 12.954 -5.603 18.579 1.00 0.01 C ATOM 1381 O GLU A 90 13.166 -6.756 18.896 1.00 0.01 O ATOM 1382 CB GLU A 90 11.017 -4.345 19.530 1.00 0.01 C ATOM 1383 CG GLU A 90 10.299 -5.652 19.871 1.00 0.00 C ATOM 1384 CD GLU A 90 8.804 -5.386 20.035 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.406 -4.242 19.885 1.00 0.01 O ATOM 1386 OE2 GLU A 90 8.083 -6.329 20.310 1.00 0.00 O ATOM 0 H GLU A 90 12.630 -2.485 19.140 1.00 0.00 H new ATOM 0 HA GLU A 90 12.781 -4.916 20.610 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.714 -3.559 20.222 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.739 -4.014 18.529 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.464 -6.386 19.082 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.707 -6.074 20.790 1.00 0.00 H new ATOM 1393 N THR A 91 13.093 -5.205 17.345 1.00 0.01 N ATOM 1394 CA THR A 91 13.517 -6.173 16.302 1.00 0.01 C ATOM 1395 C THR A 91 14.929 -6.655 16.625 1.00 0.01 C ATOM 1396 O THR A 91 15.252 -7.808 16.443 1.00 0.01 O ATOM 1397 CB THR A 91 13.514 -5.506 14.924 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.306 -4.776 14.755 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.611 -6.581 13.841 1.00 0.01 C ATOM 0 H THR A 91 12.931 -4.253 17.017 1.00 0.01 H new ATOM 0 HA THR A 91 12.823 -7.013 16.287 1.00 0.01 H new ATOM 0 HB THR A 91 14.364 -4.828 14.845 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.304 -4.347 13.874 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.609 -6.109 12.859 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.534 -7.146 13.970 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.759 -7.256 13.921 1.00 0.01 H new ATOM 1407 N SER A 92 15.777 -5.772 17.094 1.00 0.01 N ATOM 1408 CA SER A 92 17.177 -6.173 17.416 1.00 0.01 C ATOM 1409 C SER A 92 17.170 -7.269 18.485 1.00 0.01 C ATOM 1410 O SER A 92 17.934 -8.212 18.425 1.00 0.00 O ATOM 1411 CB SER A 92 17.949 -4.966 17.951 1.00 0.01 C ATOM 1412 OG SER A 92 17.479 -4.648 19.255 1.00 0.01 O ATOM 0 H SER A 92 15.557 -4.791 17.267 1.00 0.01 H new ATOM 0 HA SER A 92 17.654 -6.546 16.510 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.016 -5.186 17.980 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.818 -4.112 17.286 1.00 0.01 H new ATOM 0 HG SER A 92 16.524 -4.431 19.215 1.00 0.01 H new ATOM 1418 N ARG A 93 16.315 -7.153 19.463 1.00 0.01 N ATOM 1419 CA ARG A 93 16.262 -8.192 20.530 1.00 0.01 C ATOM 1420 C ARG A 93 15.733 -9.500 19.941 1.00 0.01 C ATOM 1421 O ARG A 93 16.143 -10.579 20.322 1.00 0.01 O ATOM 1422 CB ARG A 93 15.336 -7.735 21.660 1.00 0.00 C ATOM 1423 CG ARG A 93 15.983 -6.576 22.421 1.00 0.01 C ATOM 1424 CD ARG A 93 15.049 -6.131 23.550 1.00 0.01 C ATOM 1425 NE ARG A 93 13.751 -5.688 22.973 1.00 0.00 N ATOM 1426 CZ ARG A 93 12.701 -5.584 23.740 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.792 -5.858 25.012 1.00 0.00 N ATOM 1428 NH2 ARG A 93 11.559 -5.208 23.234 1.00 0.01 N ATOM 0 H ARG A 93 15.652 -6.385 19.570 1.00 0.01 H new ATOM 0 HA ARG A 93 17.265 -8.346 20.928 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.375 -7.423 21.252 1.00 0.00 H new ATOM 0 HB3 ARG A 93 15.139 -8.564 22.340 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.945 -6.885 22.829 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.177 -5.744 21.744 1.00 0.01 H new ATOM 0 HD2 ARG A 93 14.888 -6.952 24.248 1.00 0.01 H new ATOM 0 HD3 ARG A 93 15.505 -5.318 24.115 1.00 0.01 H new ATOM 0 HE ARG A 93 13.682 -5.466 21.980 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.685 -6.154 25.407 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.971 -5.776 25.611 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.487 -4.995 22.239 1.00 0.01 H new ATOM 0 HH22 ARG A 93 10.738 -5.127 23.833 1.00 0.01 H new ATOM 1442 N ASN A 94 14.810 -9.410 19.024 1.00 0.01 N ATOM 1443 CA ASN A 94 14.231 -10.640 18.416 1.00 0.01 C ATOM 1444 C ASN A 94 15.302 -11.402 17.627 1.00 0.01 C ATOM 1445 O ASN A 94 15.162 -12.579 17.364 1.00 0.01 O ATOM 1446 CB ASN A 94 13.084 -10.250 17.479 1.00 0.01 C ATOM 1447 CG ASN A 94 11.899 -9.745 18.305 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.514 -10.365 19.276 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.300 -8.637 17.958 1.00 0.01 N ATOM 0 H ASN A 94 14.430 -8.533 18.668 1.00 0.01 H new ATOM 0 HA ASN A 94 13.857 -11.286 19.210 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.414 -9.476 16.786 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.783 -11.108 16.879 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.509 -8.293 18.502 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.623 -8.116 17.143 1.00 0.01 H new ATOM 1456 N MET A 95 16.370 -10.752 17.251 1.00 0.01 N ATOM 1457 CA MET A 95 17.437 -11.461 16.482 1.00 0.01 C ATOM 1458 C MET A 95 17.977 -12.616 17.324 1.00 0.01 C ATOM 1459 O MET A 95 18.395 -13.631 16.806 1.00 0.01 O ATOM 1460 CB MET A 95 18.577 -10.492 16.160 1.00 0.01 C ATOM 1461 CG MET A 95 17.996 -9.226 15.538 1.00 0.01 C ATOM 1462 SD MET A 95 17.121 -9.631 14.003 1.00 0.01 S ATOM 1463 CE MET A 95 18.484 -9.311 12.860 1.00 0.01 C ATOM 0 H MET A 95 16.551 -9.766 17.441 1.00 0.01 H new ATOM 0 HA MET A 95 17.019 -11.844 15.551 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.129 -10.246 17.067 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.284 -10.958 15.473 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.313 -8.747 16.240 1.00 0.01 H new ATOM 0 HG3 MET A 95 18.794 -8.513 15.333 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.102 -9.276 11.840 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.949 -8.357 13.107 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.223 -10.107 12.943 1.00 0.01 H new ATOM 1473 N LEU A 96 17.975 -12.467 18.620 1.00 0.01 N ATOM 1474 CA LEU A 96 18.485 -13.559 19.499 1.00 0.01 C ATOM 1475 C LEU A 96 17.586 -14.785 19.326 1.00 0.01 C ATOM 1476 O LEU A 96 18.045 -15.910 19.274 1.00 0.01 O ATOM 1477 CB LEU A 96 18.438 -13.094 20.957 1.00 0.01 C ATOM 1478 CG LEU A 96 19.310 -11.846 21.141 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.201 -11.372 22.594 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.780 -12.169 20.811 1.00 0.01 C ATOM 0 H LEU A 96 17.642 -11.636 19.109 1.00 0.01 H new ATOM 0 HA LEU A 96 19.512 -13.810 19.232 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.410 -12.874 21.244 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.788 -13.891 21.613 1.00 0.01 H new ATOM 0 HG LEU A 96 18.965 -11.062 20.467 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.818 -10.485 22.734 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.162 -11.132 22.821 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.545 -12.162 23.261 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.388 -11.275 20.946 1.00 0.01 H new ATOM 0 HD22 LEU A 96 21.138 -12.955 21.476 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.855 -12.507 19.777 1.00 0.01 H new ATOM 1492 N GLU A 97 16.302 -14.564 19.228 1.00 0.01 N ATOM 1493 CA GLU A 97 15.335 -15.686 19.044 1.00 0.01 C ATOM 1494 C GLU A 97 14.255 -15.216 18.062 1.00 0.01 C ATOM 1495 O GLU A 97 13.175 -14.835 18.465 1.00 0.01 O ATOM 1496 CB GLU A 97 14.679 -16.022 20.387 1.00 0.01 C ATOM 1497 CG GLU A 97 15.752 -16.472 21.382 1.00 0.01 C ATOM 1498 CD GLU A 97 15.083 -16.993 22.657 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.589 -18.107 22.630 1.00 0.01 O ATOM 1500 OE2 GLU A 97 15.078 -16.267 23.637 1.00 0.01 O ATOM 0 H GLU A 97 15.876 -13.638 19.268 1.00 0.01 H new ATOM 0 HA GLU A 97 15.846 -16.571 18.665 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.152 -15.150 20.774 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.938 -16.810 20.254 1.00 0.01 H new ATOM 0 HG2 GLU A 97 16.370 -17.253 20.938 1.00 0.01 H new ATOM 0 HG3 GLU A 97 16.414 -15.639 21.620 1.00 0.01 H new ATOM 1507 N PRO A 98 14.546 -15.215 16.779 1.00 0.01 N ATOM 1508 CA PRO A 98 13.560 -14.741 15.770 1.00 0.01 C ATOM 1509 C PRO A 98 12.214 -15.465 15.868 1.00 0.01 C ATOM 1510 O PRO A 98 12.151 -16.668 16.036 1.00 0.01 O ATOM 1511 CB PRO A 98 14.283 -15.036 14.441 1.00 0.00 C ATOM 1512 CG PRO A 98 15.762 -15.298 14.762 1.00 0.01 C ATOM 1513 CD PRO A 98 15.856 -15.686 16.245 1.00 0.01 C ATOM 0 HA PRO A 98 13.290 -13.693 15.898 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.840 -15.901 13.948 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.184 -14.194 13.756 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.154 -16.096 14.132 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.360 -14.410 14.560 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.987 -16.760 16.377 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.696 -15.199 16.740 1.00 0.01 H new ATOM 1521 N THR A 99 11.141 -14.727 15.764 1.00 0.01 N ATOM 1522 CA THR A 99 9.776 -15.328 15.847 1.00 0.01 C ATOM 1523 C THR A 99 8.964 -14.879 14.632 1.00 0.01 C ATOM 1524 O THR A 99 9.354 -13.981 13.912 1.00 0.01 O ATOM 1525 CB THR A 99 9.090 -14.840 17.125 1.00 0.00 C ATOM 1526 OG1 THR A 99 8.855 -13.442 17.027 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.989 -15.121 18.330 1.00 0.00 C ATOM 0 H THR A 99 11.152 -13.717 15.623 1.00 0.01 H new ATOM 0 HA THR A 99 9.846 -16.416 15.863 1.00 0.01 H new ATOM 0 HB THR A 99 8.142 -15.364 17.251 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.906 -13.258 17.186 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.499 -14.773 19.239 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.173 -16.193 18.405 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.937 -14.598 18.206 1.00 0.00 H new ATOM 1535 N ILE A 100 7.839 -15.490 14.398 1.00 0.00 N ATOM 1536 CA ILE A 100 7.008 -15.091 13.232 1.00 0.01 C ATOM 1537 C ILE A 100 6.389 -13.720 13.512 1.00 0.01 C ATOM 1538 O ILE A 100 5.975 -13.013 12.614 1.00 0.01 O ATOM 1539 CB ILE A 100 5.902 -16.136 13.016 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.205 -15.894 11.666 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.867 -16.041 14.146 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.142 -16.238 10.496 1.00 0.01 C ATOM 0 H ILE A 100 7.459 -16.249 14.964 1.00 0.00 H new ATOM 0 HA ILE A 100 7.622 -15.034 12.333 1.00 0.01 H new ATOM 0 HB ILE A 100 6.352 -17.129 13.017 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.302 -16.501 11.604 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.894 -14.852 11.594 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.086 -16.784 13.987 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.355 -16.226 15.103 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.425 -15.045 14.151 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.627 -16.059 9.552 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.033 -15.612 10.547 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.431 -17.287 10.558 1.00 0.01 H new ATOM 1554 N THR A 101 6.323 -13.340 14.764 1.00 0.00 N ATOM 1555 CA THR A 101 5.733 -12.017 15.129 1.00 0.01 C ATOM 1556 C THR A 101 6.847 -10.984 15.326 1.00 0.01 C ATOM 1557 O THR A 101 6.602 -9.856 15.701 1.00 0.01 O ATOM 1558 CB THR A 101 4.946 -12.155 16.435 1.00 0.01 C ATOM 1559 OG1 THR A 101 5.817 -12.607 17.464 1.00 0.00 O ATOM 1560 CG2 THR A 101 3.807 -13.157 16.248 1.00 0.01 C ATOM 0 H THR A 101 6.655 -13.894 15.553 1.00 0.00 H new ATOM 0 HA THR A 101 5.072 -11.689 14.327 1.00 0.01 H new ATOM 0 HB THR A 101 4.528 -11.187 16.711 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.316 -12.695 18.302 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.250 -13.252 17.180 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.140 -12.807 15.460 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.218 -14.128 15.970 1.00 0.01 H new ATOM 1568 N CYS A 102 8.071 -11.368 15.090 1.00 0.00 N ATOM 1569 CA CYS A 102 9.206 -10.417 15.277 1.00 0.00 C ATOM 1570 C CYS A 102 9.030 -9.183 14.382 1.00 0.01 C ATOM 1571 O CYS A 102 9.055 -8.063 14.850 1.00 0.01 O ATOM 1572 CB CYS A 102 10.518 -11.133 14.929 1.00 0.00 C ATOM 1573 SG CYS A 102 11.839 -9.924 14.649 1.00 0.01 S ATOM 0 H CYS A 102 8.336 -12.301 14.775 1.00 0.00 H new ATOM 0 HA CYS A 102 9.228 -10.085 16.315 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.798 -11.807 15.738 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.381 -11.745 14.038 1.00 0.00 H new ATOM 0 HG CYS A 102 12.071 -9.822 13.374 1.00 0.01 H new ATOM 1579 N PHE A 103 8.873 -9.371 13.095 1.00 0.00 N ATOM 1580 CA PHE A 103 8.724 -8.193 12.179 1.00 0.01 C ATOM 1581 C PHE A 103 7.245 -7.851 11.967 1.00 0.01 C ATOM 1582 O PHE A 103 6.920 -6.864 11.336 1.00 0.00 O ATOM 1583 CB PHE A 103 9.365 -8.524 10.828 1.00 0.00 C ATOM 1584 CG PHE A 103 10.869 -8.572 10.982 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.471 -9.670 11.605 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.659 -7.523 10.496 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.863 -9.721 11.745 1.00 0.01 C ATOM 1588 CE2 PHE A 103 13.052 -7.573 10.637 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.654 -8.672 11.261 1.00 0.00 C ATOM 0 H PHE A 103 8.841 -10.283 12.639 1.00 0.00 H new ATOM 0 HA PHE A 103 9.218 -7.333 12.631 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.995 -9.482 10.463 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.088 -7.773 10.088 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.861 -10.479 11.978 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.195 -6.676 10.013 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.327 -10.569 12.226 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.662 -6.763 10.264 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.728 -8.711 11.369 1.00 0.00 H new ATOM 1599 N ASP A 104 6.343 -8.638 12.486 1.00 0.01 N ATOM 1600 CA ASP A 104 4.899 -8.314 12.299 1.00 0.01 C ATOM 1601 C ASP A 104 4.599 -6.991 12.997 1.00 0.00 C ATOM 1602 O ASP A 104 3.862 -6.162 12.500 1.00 0.01 O ATOM 1603 CB ASP A 104 4.028 -9.408 12.911 1.00 0.01 C ATOM 1604 CG ASP A 104 4.188 -10.696 12.101 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.858 -10.651 11.083 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.628 -11.701 12.505 1.00 0.00 O ATOM 0 H ASP A 104 6.539 -9.481 13.025 1.00 0.01 H new ATOM 0 HA ASP A 104 4.682 -8.242 11.233 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.315 -9.579 13.948 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.984 -9.096 12.917 1.00 0.01 H new ATOM 1611 N GLU A 105 5.172 -6.791 14.153 1.00 0.00 N ATOM 1612 CA GLU A 105 4.933 -5.529 14.899 1.00 0.00 C ATOM 1613 C GLU A 105 5.416 -4.356 14.053 1.00 0.00 C ATOM 1614 O GLU A 105 4.786 -3.321 13.994 1.00 0.01 O ATOM 1615 CB GLU A 105 5.697 -5.566 16.222 1.00 0.00 C ATOM 1616 CG GLU A 105 5.369 -4.314 17.035 1.00 0.00 C ATOM 1617 CD GLU A 105 6.001 -4.427 18.421 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.548 -5.478 18.716 1.00 0.00 O ATOM 1619 OE2 GLU A 105 5.925 -3.465 19.168 1.00 0.01 O ATOM 0 H GLU A 105 5.798 -7.453 14.612 1.00 0.00 H new ATOM 0 HA GLU A 105 3.869 -5.415 15.107 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.427 -6.459 16.785 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.769 -5.620 16.034 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.744 -3.427 16.524 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.289 -4.198 17.124 1.00 0.00 H new ATOM 1626 N ALA A 106 6.529 -4.510 13.389 1.00 0.00 N ATOM 1627 CA ALA A 106 7.041 -3.401 12.543 1.00 0.00 C ATOM 1628 C ALA A 106 6.096 -3.223 11.356 1.00 0.00 C ATOM 1629 O ALA A 106 5.768 -2.117 10.971 1.00 0.00 O ATOM 1630 CB ALA A 106 8.453 -3.748 12.055 1.00 0.00 C ATOM 0 H ALA A 106 7.102 -5.354 13.397 1.00 0.00 H new ATOM 0 HA ALA A 106 7.087 -2.473 13.113 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.833 -2.937 11.434 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.111 -3.886 12.913 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.420 -4.668 11.471 1.00 0.00 H new ATOM 1636 N GLN A 107 5.628 -4.299 10.792 1.00 0.00 N ATOM 1637 CA GLN A 107 4.676 -4.180 9.659 1.00 0.00 C ATOM 1638 C GLN A 107 3.442 -3.426 10.142 1.00 0.00 C ATOM 1639 O GLN A 107 2.894 -2.595 9.446 1.00 0.00 O ATOM 1640 CB GLN A 107 4.273 -5.563 9.155 1.00 0.00 C ATOM 1641 CG GLN A 107 3.278 -5.403 8.004 1.00 0.00 C ATOM 1642 CD GLN A 107 3.082 -6.748 7.302 1.00 0.00 C ATOM 1643 OE1 GLN A 107 4.017 -7.508 7.149 1.00 0.00 O ATOM 1644 NE2 GLN A 107 1.896 -7.076 6.866 1.00 0.00 N ATOM 0 H GLN A 107 5.863 -5.253 11.066 1.00 0.00 H new ATOM 0 HA GLN A 107 5.149 -3.641 8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.152 -6.112 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.825 -6.142 9.962 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.324 -5.037 8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.644 -4.661 7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.111 -6.438 6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.755 -7.971 6.397 1.00 0.00 H new ATOM 1653 N LYS A 108 3.004 -3.705 11.339 1.00 0.00 N ATOM 1654 CA LYS A 108 1.809 -3.001 11.873 1.00 0.00 C ATOM 1655 C LYS A 108 2.111 -1.506 11.908 1.00 0.00 C ATOM 1656 O LYS A 108 1.277 -0.686 11.583 1.00 0.00 O ATOM 1657 CB LYS A 108 1.514 -3.499 13.292 1.00 0.00 C ATOM 1658 CG LYS A 108 0.243 -2.827 13.821 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.047 -3.329 15.237 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.347 -2.700 15.745 1.00 0.00 C ATOM 1661 NZ LYS A 108 -2.453 -3.025 14.802 1.00 0.00 N ATOM 0 H LYS A 108 3.423 -4.390 11.968 1.00 0.00 H new ATOM 0 HA LYS A 108 0.942 -3.195 11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.390 -4.582 13.289 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.355 -3.276 13.948 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.366 -1.744 13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.599 -3.049 13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.131 -4.416 15.239 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.778 -3.072 15.902 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.581 -3.076 16.741 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.232 -1.619 15.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.363 -2.974 15.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.451 -2.343 14.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.318 -3.986 14.427 1.00 0.00 H new ATOM 1675 N LYS A 109 3.310 -1.143 12.281 1.00 0.01 N ATOM 1676 CA LYS A 109 3.667 0.300 12.316 1.00 0.00 C ATOM 1677 C LYS A 109 3.581 0.863 10.900 1.00 0.00 C ATOM 1678 O LYS A 109 3.116 1.964 10.689 1.00 0.00 O ATOM 1679 CB LYS A 109 5.095 0.473 12.841 1.00 0.00 C ATOM 1680 CG LYS A 109 5.194 -0.025 14.289 1.00 0.00 C ATOM 1681 CD LYS A 109 4.437 0.914 15.240 1.00 0.01 C ATOM 1682 CE LYS A 109 4.938 0.705 16.670 1.00 0.00 C ATOM 1683 NZ LYS A 109 3.998 1.352 17.627 1.00 0.01 N ATOM 0 H LYS A 109 4.053 -1.783 12.561 1.00 0.01 H new ATOM 0 HA LYS A 109 2.978 0.829 12.975 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.791 -0.080 12.211 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.384 1.523 12.790 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.783 -1.032 14.361 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.241 -0.086 14.587 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.586 1.951 14.939 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.366 0.717 15.186 1.00 0.01 H new ATOM 0 HE2 LYS A 109 5.017 -0.360 16.886 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.936 1.128 16.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.339 1.209 18.599 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 3.944 2.371 17.425 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 3.054 0.928 17.526 1.00 0.01 H new ATOM 1697 N ILE A 110 4.020 0.116 9.920 1.00 0.00 N ATOM 1698 CA ILE A 110 3.951 0.622 8.522 1.00 0.00 C ATOM 1699 C ILE A 110 2.483 0.734 8.114 1.00 0.00 C ATOM 1700 O ILE A 110 2.076 1.688 7.481 1.00 0.00 O ATOM 1701 CB ILE A 110 4.665 -0.358 7.583 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.144 -0.513 7.982 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.578 0.155 6.147 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.838 0.855 8.068 1.00 0.00 C ATOM 0 H ILE A 110 4.420 -0.816 10.029 1.00 0.00 H new ATOM 0 HA ILE A 110 4.434 1.597 8.457 1.00 0.00 H new ATOM 0 HB ILE A 110 4.178 -1.330 7.659 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.213 -1.021 8.944 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.657 -1.140 7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.086 -0.542 5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.532 0.241 5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.055 1.133 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.881 0.717 8.352 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.788 1.350 7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.338 1.471 8.816 1.00 0.00 H new ATOM 1716 N PHE A 111 1.676 -0.222 8.490 1.00 0.00 N ATOM 1717 CA PHE A 111 0.232 -0.145 8.138 1.00 0.00 C ATOM 1718 C PHE A 111 -0.349 1.130 8.762 1.00 0.00 C ATOM 1719 O PHE A 111 -0.893 1.974 8.083 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.500 -1.386 8.708 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.747 -2.413 7.619 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.322 -2.904 6.864 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.051 -2.865 7.365 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.088 -3.846 5.857 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.282 -3.806 6.360 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.216 -4.296 5.606 1.00 0.00 C ATOM 0 H PHE A 111 1.953 -1.047 9.022 1.00 0.00 H new ATOM 0 HA PHE A 111 0.105 -0.122 7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.096 -1.831 9.505 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.449 -1.083 9.150 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.326 -2.557 7.058 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.877 -2.484 7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.912 -4.227 5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.286 -4.154 6.166 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.395 -5.023 4.828 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.230 1.261 10.052 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.771 2.463 10.745 1.00 0.00 C ATOM 1738 C ASN A 112 -0.092 3.735 10.232 1.00 0.00 C ATOM 1739 O ASN A 112 -0.724 4.759 10.069 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.528 2.332 12.250 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.430 1.236 12.820 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -1.392 0.955 14.002 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -2.245 0.597 12.024 1.00 0.00 N ATOM 0 H ASN A 112 0.223 0.581 10.662 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.840 2.531 10.542 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.518 2.092 12.441 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.733 3.281 12.746 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.849 -0.137 12.394 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.278 0.832 11.032 1.00 0.00 H new ATOM 1750 N LEU A 113 1.189 3.693 9.996 1.00 0.00 N ATOM 1751 CA LEU A 113 1.888 4.920 9.519 1.00 0.00 C ATOM 1752 C LEU A 113 1.302 5.361 8.178 1.00 0.00 C ATOM 1753 O LEU A 113 0.782 6.453 8.049 1.00 0.00 O ATOM 1754 CB LEU A 113 3.381 4.611 9.346 1.00 0.00 C ATOM 1755 CG LEU A 113 4.175 5.901 9.071 1.00 0.00 C ATOM 1756 CD1 LEU A 113 5.669 5.611 9.250 1.00 0.00 C ATOM 1757 CD2 LEU A 113 3.910 6.422 7.638 1.00 0.00 C ATOM 0 H LEU A 113 1.779 2.869 10.111 1.00 0.00 H new ATOM 0 HA LEU A 113 1.757 5.720 10.247 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.764 4.127 10.244 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.519 3.910 8.523 1.00 0.00 H new ATOM 0 HG LEU A 113 3.854 6.670 9.773 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.241 6.518 9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.855 5.274 10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.975 4.834 8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.483 7.334 7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.212 5.665 6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.848 6.634 7.519 1.00 0.00 H new ATOM 1769 N MET A 114 1.379 4.533 7.176 1.00 0.00 N ATOM 1770 CA MET A 114 0.827 4.937 5.857 1.00 0.00 C ATOM 1771 C MET A 114 -0.703 4.989 5.916 1.00 0.00 C ATOM 1772 O MET A 114 -1.322 5.845 5.318 1.00 0.00 O ATOM 1773 CB MET A 114 1.290 3.964 4.760 1.00 0.00 C ATOM 1774 CG MET A 114 0.840 2.510 5.063 1.00 0.00 C ATOM 1775 SD MET A 114 -0.271 1.929 3.743 1.00 0.00 S ATOM 1776 CE MET A 114 0.725 0.541 3.131 1.00 0.00 C ATOM 0 H MET A 114 1.796 3.603 7.212 1.00 0.00 H new ATOM 0 HA MET A 114 1.200 5.932 5.614 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.885 4.279 3.798 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.376 4.000 4.675 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.710 1.857 5.135 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.330 2.469 6.026 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.304 0.177 2.194 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.749 0.874 2.964 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.720 -0.263 3.867 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.325 4.085 6.623 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.812 4.109 6.695 1.00 0.00 C ATOM 1788 C GLU A 115 -3.282 5.389 7.392 1.00 0.00 C ATOM 1789 O GLU A 115 -4.245 6.006 7.002 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.321 2.897 7.475 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.850 2.902 7.473 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.360 1.624 8.137 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.538 0.804 8.508 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.566 1.488 8.265 1.00 0.01 O ATOM 0 H GLU A 115 -0.872 3.338 7.149 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.209 4.079 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.948 1.977 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.947 2.925 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.223 3.776 8.006 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.224 2.969 6.451 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.626 5.797 8.437 1.00 0.01 N ATOM 1802 CA LYS A 116 -3.071 7.034 9.134 1.00 0.00 C ATOM 1803 C LYS A 116 -2.561 8.271 8.387 1.00 0.01 C ATOM 1804 O LYS A 116 -2.967 9.379 8.676 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.536 7.046 10.564 1.00 0.00 C ATOM 1806 CG LYS A 116 -3.175 5.902 11.355 1.00 0.00 C ATOM 1807 CD LYS A 116 -2.639 5.915 12.786 1.00 0.00 C ATOM 1808 CE LYS A 116 -3.271 4.776 13.586 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.746 4.975 13.665 1.00 0.00 N ATOM 0 H LYS A 116 -1.809 5.335 8.837 1.00 0.01 H new ATOM 0 HA LYS A 116 -4.161 7.052 9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.451 6.938 10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.759 8.001 11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.260 6.010 11.360 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.952 4.947 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.554 5.808 12.779 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.862 6.871 13.259 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.048 3.819 13.113 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.845 4.743 14.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.128 4.425 14.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.953 5.984 13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.187 4.655 12.779 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.660 8.098 7.441 1.00 0.00 N ATOM 1824 CA ASP A 117 -1.108 9.282 6.696 1.00 0.00 C ATOM 1825 C ASP A 117 -1.325 9.138 5.186 1.00 0.00 C ATOM 1826 O ASP A 117 -1.925 9.987 4.560 1.00 0.00 O ATOM 1827 CB ASP A 117 0.389 9.388 6.983 1.00 0.00 C ATOM 1828 CG ASP A 117 0.595 9.723 8.460 1.00 0.00 C ATOM 1829 OD1 ASP A 117 -0.229 10.443 9.003 1.00 0.00 O ATOM 1830 OD2 ASP A 117 1.570 9.257 9.024 1.00 0.00 O ATOM 0 H ASP A 117 -1.285 7.194 7.154 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.629 10.179 7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.886 8.449 6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.838 10.159 6.357 1.00 0.00 H new ATOM 1835 N SER A 118 -0.822 8.096 4.585 1.00 0.00 N ATOM 1836 CA SER A 118 -0.990 7.948 3.108 1.00 0.00 C ATOM 1837 C SER A 118 -2.469 7.847 2.730 1.00 0.00 C ATOM 1838 O SER A 118 -2.909 8.459 1.782 1.00 0.01 O ATOM 1839 CB SER A 118 -0.274 6.690 2.624 1.00 0.00 C ATOM 1840 OG SER A 118 -1.054 5.548 2.958 1.00 0.00 O ATOM 0 H SER A 118 -0.306 7.346 5.045 1.00 0.00 H new ATOM 0 HA SER A 118 -0.560 8.831 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.120 6.737 1.546 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.712 6.619 3.084 1.00 0.00 H new ATOM 0 HG SER A 118 -1.412 5.650 3.865 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.234 7.066 3.445 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.680 6.913 3.092 1.00 0.00 C ATOM 1848 C TYR A 119 -5.372 8.280 3.072 1.00 0.01 C ATOM 1849 O TYR A 119 -6.025 8.635 2.112 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.359 5.989 4.129 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.887 4.732 3.473 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.034 3.941 2.696 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.225 4.361 3.644 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.522 2.783 2.088 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.708 3.202 3.038 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.856 2.414 2.259 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.333 1.274 1.656 1.00 0.00 O ATOM 0 H TYR A 119 -2.924 6.529 4.255 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.764 6.472 2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.644 5.724 4.908 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.177 6.521 4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.000 4.226 2.567 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.883 4.972 4.245 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.866 2.173 1.485 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.740 2.913 3.170 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.307 1.335 1.565 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.245 9.049 4.116 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.914 10.374 4.122 1.00 0.01 C ATOM 1869 C ARG A 120 -5.364 11.191 2.959 1.00 0.00 C ATOM 1870 O ARG A 120 -6.087 11.881 2.269 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.620 11.089 5.440 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.362 10.378 6.576 1.00 0.01 C ATOM 1873 CD ARG A 120 -5.870 10.867 7.942 1.00 0.00 C ATOM 1874 NE ARG A 120 -6.355 12.273 8.182 1.00 0.01 N ATOM 1875 CZ ARG A 120 -5.781 13.311 7.650 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -4.658 13.179 6.997 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -6.305 14.494 7.811 1.00 0.01 N ATOM 0 H ARG A 120 -4.713 8.820 4.955 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.993 10.254 4.020 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.548 11.091 5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.935 12.131 5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.433 10.559 6.485 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -6.212 9.301 6.495 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -6.235 10.207 8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -4.781 10.836 7.980 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.165 12.416 8.785 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -4.228 12.259 6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.211 13.996 6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.162 14.603 8.353 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -5.858 15.311 7.395 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.086 11.097 2.724 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.479 11.844 1.593 1.00 0.01 C ATOM 1893 C ARG A 121 -3.947 11.216 0.280 1.00 0.01 C ATOM 1894 O ARG A 121 -4.153 11.897 -0.704 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.955 11.770 1.683 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.482 12.601 2.877 1.00 0.00 C ATOM 1897 CD ARG A 121 0.042 12.541 2.976 1.00 0.00 C ATOM 1898 NE ARG A 121 0.488 11.128 3.137 1.00 0.01 N ATOM 1899 CZ ARG A 121 1.734 10.815 2.905 1.00 0.01 C ATOM 1900 NH1 ARG A 121 2.580 11.741 2.544 1.00 0.00 N ATOM 1901 NH2 ARG A 121 2.134 9.579 3.029 1.00 0.01 N ATOM 0 H ARG A 121 -3.435 10.532 3.270 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.786 12.889 1.635 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.635 10.734 1.796 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.506 12.144 0.763 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.808 13.635 2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.931 12.223 3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.490 12.972 2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.383 13.137 3.822 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.176 10.410 3.427 1.00 0.01 H new ATOM 0 HH11 ARG A 121 2.267 12.707 2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.554 11.499 2.362 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.472 8.854 3.308 1.00 0.01 H new ATOM 0 HH22 ARG A 121 3.108 9.338 2.847 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.107 9.916 0.255 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.552 9.249 -0.999 1.00 0.01 C ATOM 1917 C PHE A 122 -5.909 9.824 -1.402 1.00 0.01 C ATOM 1918 O PHE A 122 -6.126 10.195 -2.530 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.684 7.723 -0.760 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.130 6.961 -1.938 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.759 7.001 -2.179 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -4.971 6.222 -2.780 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.218 6.306 -3.259 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.429 5.521 -3.866 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.051 5.564 -4.106 1.00 0.00 C ATOM 0 H PHE A 122 -3.949 9.293 1.047 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.823 9.422 -1.791 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.150 7.442 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.731 7.461 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.114 7.572 -1.528 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -6.034 6.192 -2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.154 6.340 -3.443 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.074 4.949 -4.516 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.631 5.026 -4.943 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.817 9.896 -0.479 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.157 10.439 -0.800 1.00 0.00 C ATOM 1937 C LEU A 123 -8.001 11.877 -1.295 1.00 0.01 C ATOM 1938 O LEU A 123 -8.676 12.312 -2.207 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.019 10.408 0.461 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.143 8.962 0.960 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.916 8.947 2.282 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.873 8.095 -0.084 1.00 0.01 C ATOM 0 H LEU A 123 -6.688 9.601 0.489 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.635 9.841 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.574 11.034 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.007 10.817 0.249 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.145 8.551 1.115 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.006 7.921 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.383 9.544 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.910 9.366 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.953 7.072 0.284 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.871 8.497 -0.257 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.312 8.101 -1.018 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.111 12.619 -0.693 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.895 14.036 -1.109 1.00 0.01 C ATOM 1956 C LYS A 124 -5.833 14.094 -2.214 1.00 0.01 C ATOM 1957 O LYS A 124 -5.481 15.154 -2.692 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.418 14.844 0.101 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.486 14.795 1.196 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.015 15.600 2.407 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.083 15.545 3.500 1.00 0.01 C ATOM 1962 NZ LYS A 124 -7.527 16.089 4.771 1.00 0.01 N ATOM 0 H LYS A 124 -6.519 12.302 0.075 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.828 14.453 -1.488 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.478 14.439 0.476 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.226 15.877 -0.190 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.426 15.200 0.820 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.678 13.762 1.485 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.074 15.197 2.782 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -6.826 16.634 2.119 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -8.957 16.122 3.198 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.415 14.517 3.647 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.255 16.051 5.513 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -6.706 15.521 5.062 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -7.232 17.076 4.627 1.00 0.01 H new ATOM 1976 N SER A 125 -5.313 12.964 -2.619 1.00 0.00 N ATOM 1977 CA SER A 125 -4.275 12.966 -3.691 1.00 0.01 C ATOM 1978 C SER A 125 -4.905 13.350 -5.030 1.00 0.01 C ATOM 1979 O SER A 125 -6.078 13.137 -5.267 1.00 0.01 O ATOM 1980 CB SER A 125 -3.643 11.580 -3.809 1.00 0.01 C ATOM 1981 OG SER A 125 -2.711 11.578 -4.884 1.00 0.01 O ATOM 0 H SER A 125 -5.561 12.044 -2.255 1.00 0.00 H new ATOM 0 HA SER A 125 -3.506 13.694 -3.431 1.00 0.01 H new ATOM 0 HB2 SER A 125 -3.142 11.316 -2.878 1.00 0.01 H new ATOM 0 HB3 SER A 125 -4.415 10.829 -3.980 1.00 0.01 H new ATOM 0 HG SER A 125 -1.801 11.500 -4.528 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.125 13.922 -5.901 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.645 14.340 -7.233 1.00 0.01 C ATOM 1989 C ARG A 126 -5.019 13.108 -8.060 1.00 0.00 C ATOM 1990 O ARG A 126 -6.011 13.098 -8.759 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.545 15.128 -7.945 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.217 16.368 -7.111 1.00 0.01 C ATOM 1993 CD ARG A 126 -2.107 17.184 -7.783 1.00 0.01 C ATOM 1994 NE ARG A 126 -1.410 18.009 -6.744 1.00 0.00 N ATOM 1995 CZ ARG A 126 -2.083 18.778 -5.927 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -3.343 19.031 -6.147 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -1.479 19.344 -4.918 1.00 0.01 N ATOM 0 H ARG A 126 -3.137 14.121 -5.746 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.536 14.956 -7.112 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.656 14.509 -8.069 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.873 15.419 -8.943 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -4.110 16.983 -6.995 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.903 16.069 -6.111 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -1.397 16.520 -8.275 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -2.528 17.828 -8.555 1.00 0.01 H new ATOM 0 HE ARG A 126 -0.393 17.970 -6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.810 18.629 -6.960 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -3.862 19.631 -5.506 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -0.483 19.187 -4.767 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -2.003 19.944 -4.281 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.227 12.072 -7.995 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.541 10.851 -8.788 1.00 0.01 C ATOM 2013 C PHE A 127 -5.846 10.233 -8.283 1.00 0.01 C ATOM 2014 O PHE A 127 -6.681 9.799 -9.051 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.413 9.831 -8.619 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.112 10.423 -9.103 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.776 10.367 -10.459 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.240 11.025 -8.188 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -0.564 10.913 -10.903 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.029 11.569 -8.630 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.309 11.513 -9.987 1.00 0.00 C ATOM 0 H PHE A 127 -3.380 12.019 -7.429 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.643 11.122 -9.839 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.325 9.543 -7.571 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.642 8.925 -9.180 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -2.450 9.903 -11.164 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.502 11.069 -7.141 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.304 10.871 -11.950 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.645 12.032 -7.924 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.244 11.933 -10.328 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.022 10.177 -6.993 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.262 9.578 -6.428 1.00 0.01 C ATOM 2033 C TYR A 128 -8.491 10.345 -6.922 1.00 0.01 C ATOM 2034 O TYR A 128 -9.477 9.761 -7.325 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.193 9.631 -4.903 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.428 8.996 -4.311 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.458 7.615 -4.085 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.541 9.784 -3.987 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -9.598 7.018 -3.536 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.683 9.186 -3.435 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.711 7.803 -3.211 1.00 0.01 C ATOM 2042 OH TYR A 128 -11.836 7.214 -2.670 1.00 0.01 O ATOM 0 H TYR A 128 -5.356 10.523 -6.302 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.345 8.542 -6.755 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.302 9.110 -4.552 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.110 10.665 -4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.600 7.009 -4.335 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.519 10.849 -4.162 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -9.620 5.952 -3.363 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.541 9.791 -3.182 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.516 7.900 -2.502 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.445 11.648 -6.885 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.618 12.449 -7.341 1.00 0.01 C ATOM 2054 C LEU A 129 -9.917 12.136 -8.807 1.00 0.01 C ATOM 2055 O LEU A 129 -11.039 11.848 -9.173 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.283 13.938 -7.216 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.152 14.338 -5.739 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.577 15.756 -5.656 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.528 14.301 -5.045 1.00 0.01 C ATOM 0 H LEU A 129 -7.647 12.193 -6.559 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.485 12.202 -6.729 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.352 14.153 -7.741 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.062 14.533 -7.692 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.489 13.633 -5.236 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.480 16.049 -4.611 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.596 15.779 -6.132 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.245 16.450 -6.167 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.416 14.587 -3.999 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.205 14.997 -5.541 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.938 13.293 -5.103 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.925 12.187 -9.651 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.162 11.889 -11.090 1.00 0.91 C ATOM 2073 C ASP A 130 -9.695 10.466 -11.225 1.00 1.05 C ATOM 2074 O ASP A 130 -10.643 10.211 -11.940 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.848 12.027 -11.859 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.451 13.503 -11.923 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.321 14.339 -11.738 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -6.284 13.775 -12.156 1.00 3.36 O ATOM 0 H ASP A 130 -7.963 12.422 -9.407 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.891 12.589 -11.499 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.064 11.449 -11.369 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -7.959 11.625 -12.866 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.100 9.540 -10.531 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.582 8.138 -10.601 1.00 1.68 C ATOM 2085 C LEU A 131 -10.929 8.059 -9.888 1.00 2.00 C ATOM 2086 O LEU A 131 -11.763 7.229 -10.193 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.567 7.214 -9.925 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.247 7.244 -10.712 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.181 6.460 -9.943 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.445 6.627 -12.114 1.00 3.54 C ATOM 0 H LEU A 131 -8.300 9.695 -9.918 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.696 7.824 -11.639 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.397 7.532 -8.896 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -8.956 6.197 -9.884 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.924 8.278 -10.831 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.243 6.479 -10.499 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.032 6.914 -8.963 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -6.508 5.428 -9.819 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.502 6.655 -12.660 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.776 5.593 -12.013 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -8.197 7.197 -12.659 1.00 3.54 H new ATOM 2102 N THR A 132 -11.144 8.939 -8.941 1.00 2.68 N ATOM 2103 CA THR A 132 -12.430 8.969 -8.184 1.00 3.30 C ATOM 2104 C THR A 132 -13.143 10.278 -8.488 1.00 3.72 C ATOM 2105 O THR A 132 -13.067 11.230 -7.737 1.00 3.94 O ATOM 2106 CB THR A 132 -12.150 8.905 -6.680 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.559 10.128 -6.266 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.199 7.742 -6.348 1.00 4.63 C ATOM 0 H THR A 132 -10.469 9.649 -8.657 1.00 2.68 H new ATOM 0 HA THR A 132 -13.044 8.118 -8.477 1.00 3.30 H new ATOM 0 HB THR A 132 -13.091 8.742 -6.155 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.152 10.012 -5.382 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.015 7.717 -5.274 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.652 6.801 -6.660 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.255 7.882 -6.874 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.824 10.341 -9.589 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.531 11.597 -9.948 1.00 4.82 C ATOM 2118 C ASN A 133 -15.815 11.718 -9.094 1.00 5.34 C ATOM 2119 O ASN A 133 -16.408 10.719 -8.738 1.00 5.43 O ATOM 2120 CB ASN A 133 -14.904 11.538 -11.431 1.00 5.42 C ATOM 2121 CG ASN A 133 -13.631 11.600 -12.279 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -13.196 12.667 -12.665 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -13.011 10.492 -12.585 1.00 6.48 N ATOM 0 H ASN A 133 -13.924 9.578 -10.258 1.00 4.23 H new ATOM 0 HA ASN A 133 -13.891 12.459 -9.760 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -15.451 10.619 -11.643 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -15.564 12.368 -11.685 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -12.161 10.522 -13.148 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -13.377 9.597 -12.261 1.00 6.48 H new TER 2130 ASN A 133