USER MOD reduce.3.24.130724 H: found=0, std=0, add=1205, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1208 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 135 LYS NZ :NH3+ -143:sc= 0.159 (180deg=0) USER MOD Set 1.2: A 148 SER OG : rot 180:sc= 0.158 USER MOD Set 2.1: A 84 GLN : amide:sc= -0.0866 K(o=-0.8,f=-0.15) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.709! K(o=-0.8!,f=-0.15) USER MOD Set 3.1: A 75 SER OG : rot -171:sc= 1.29 USER MOD Set 3.2: A 76 LYS NZ :NH3+ -176:sc= 1.18 (180deg=1.13) USER MOD Set 4.1: A 59 TYR OH : rot 150:sc= -1.54! USER MOD Set 4.2: A 69 THR OG1 : rot -116:sc= -0.346! USER MOD Set 5.1: A 29 ASN : amide:sc= 0.677 K(o=3,f=-0.9) USER MOD Set 5.2: A 118 THR OG1 : rot 108:sc= 0.989 USER MOD Set 5.3: A 153 GLN : amide:sc= 1.38 K(o=3,f=-0.36) USER MOD Single : A 9 ASN : amide:sc= -0.271 K(o=-0.27,f=1.2) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= -0.0136 (180deg=-0.178) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.834! K(o=-0.83!,f=-0.14) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0286) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -10.6! C(o=-11!,f=-12!) USER MOD Single : A 30 GLN : amide:sc= -1.83 K(o=-1.8,f=-7.9!) USER MOD Single : A 31 SER OG : rot 1:sc= 1.19 USER MOD Single : A 36 ASN : amide:sc= -0.42 K(o=-0.42,f=-2.7!) USER MOD Single : A 38 GLN : amide:sc= -0.0687 K(o=-0.069,f=-0.7) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 46 HIS : no HD1:sc= -0.0022 X(o=-0.0022,f=-0.0022) USER MOD Single : A 47 ASN : amide:sc= -0.0689 K(o=-0.069,f=-0.93) USER MOD Single : A 53 LYS NZ :NH3+ 159:sc= -0.18 (180deg=-0.691) USER MOD Single : A 56 MET CE :methyl -108:sc= -2.01 (180deg=-5.01!) USER MOD Single : A 60 LYS NZ :NH3+ 149:sc= 0.392 (180deg=-0.164) USER MOD Single : A 61 SER OG : rot -155:sc= -0.252 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -141:sc= 0.862 (180deg=-1.42!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 78 GLN : amide:sc= -0.132 K(o=-0.13,f=-2) USER MOD Single : A 80 TYR OH : rot 30:sc= -0.0715 USER MOD Single : A 82 THR OG1 : rot -160:sc= -2.55! USER MOD Single : A 93 LYS NZ :NH3+ -121:sc= -4.95! (180deg=-9.58!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 163:sc= -0.0786 (180deg=-0.461) USER MOD Single : A 101 THR OG1 : rot 10:sc= 0.0245 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 79:sc= 1.22 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 108 ASN : amide:sc= -2.99! C(o=-3!,f=-3.2!) USER MOD Single : A 115 THR OG1 : rot -104:sc= 1.22 USER MOD Single : A 116 HIS : no HD1:sc= -2.83 C(o=-2.2!,f=-8.2!) USER MOD Single : A 119 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.000981) USER MOD Single : A 120 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.4) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot -55:sc= 1.35 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.0061) USER MOD Single : A 129 ASN : amide:sc= -1.9! C(o=-1.9!,f=-4.1!) USER MOD Single : A 134 THR OG1 : rot -98:sc= 0.911 USER MOD Single : A 136 GLN : amide:sc= -4.07! K(o=-4.1!,f=-0.34) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 CYS SG : rot 180:sc= 0.48 USER MOD Single : A 150 THR OG1 : rot 72:sc= -0.359 USER MOD Single : A 157 ASN : amide:sc= 1.13 K(o=1.1,f=-1.6!) USER MOD Single : A 158 GLN : amide:sc= -1.55! K(o=-1.6!,f=-0.0068) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 9 25.101 2.014 -1.558 1.00 4.20 N ATOM 2 CA ASN A 9 24.710 2.113 -0.132 1.00 4.32 C ATOM 3 C ASN A 9 24.144 0.786 0.334 1.00 4.11 C ATOM 4 O ASN A 9 24.182 -0.202 -0.402 1.00 4.02 O ATOM 5 CB ASN A 9 23.672 3.222 0.075 1.00 4.41 C ATOM 6 CG ASN A 9 24.207 4.595 -0.271 1.00 4.99 C ATOM 7 OD1 ASN A 9 25.048 4.743 -1.158 1.00 5.29 O ATOM 8 ND2 ASN A 9 23.729 5.611 0.429 1.00 5.50 N ATOM 0 HA ASN A 9 25.596 2.359 0.453 1.00 4.32 H new ATOM 0 HB2 ASN A 9 22.796 3.013 -0.539 1.00 4.41 H new ATOM 0 HB3 ASN A 9 23.342 3.216 1.114 1.00 4.41 H new ATOM 0 HD21 ASN A 9 24.057 6.559 0.242 1.00 5.50 H new ATOM 0 HD22 ASN A 9 23.033 5.447 1.156 1.00 5.50 H new ATOM 17 N VAL A 10 23.595 0.757 1.535 1.00 4.35 N ATOM 18 CA VAL A 10 23.022 -0.464 2.052 1.00 4.25 C ATOM 19 C VAL A 10 21.642 -0.691 1.442 1.00 3.43 C ATOM 20 O VAL A 10 20.837 0.234 1.309 1.00 3.52 O ATOM 21 CB VAL A 10 22.936 -0.442 3.598 1.00 5.19 C ATOM 22 CG1 VAL A 10 21.952 0.608 4.090 1.00 5.29 C ATOM 23 CG2 VAL A 10 22.573 -1.817 4.141 1.00 6.05 C ATOM 0 H VAL A 10 23.536 1.559 2.163 1.00 4.35 H new ATOM 0 HA VAL A 10 23.676 -1.290 1.772 1.00 4.25 H new ATOM 0 HB VAL A 10 23.922 -0.172 3.976 1.00 5.19 H new ATOM 0 HG11 VAL A 10 21.919 0.593 5.179 1.00 5.29 H new ATOM 0 HG12 VAL A 10 22.271 1.593 3.750 1.00 5.29 H new ATOM 0 HG13 VAL A 10 20.960 0.391 3.694 1.00 5.29 H new ATOM 0 HG21 VAL A 10 22.519 -1.776 5.229 1.00 6.05 H new ATOM 0 HG22 VAL A 10 21.606 -2.123 3.741 1.00 6.05 H new ATOM 0 HG23 VAL A 10 23.334 -2.538 3.843 1.00 6.05 H new ATOM 33 N LYS A 11 21.396 -1.921 1.036 1.00 3.01 N ATOM 34 CA LYS A 11 20.161 -2.271 0.367 1.00 2.38 C ATOM 35 C LYS A 11 19.198 -2.937 1.329 1.00 2.30 C ATOM 36 O LYS A 11 19.604 -3.620 2.270 1.00 2.75 O ATOM 37 CB LYS A 11 20.438 -3.158 -0.856 1.00 2.57 C ATOM 38 CG LYS A 11 21.377 -4.330 -0.597 1.00 3.33 C ATOM 39 CD LYS A 11 20.670 -5.507 0.058 1.00 4.00 C ATOM 40 CE LYS A 11 21.621 -6.669 0.281 1.00 4.63 C ATOM 41 NZ LYS A 11 22.707 -6.319 1.231 1.00 5.11 N ATOM 0 H LYS A 11 22.042 -2.700 1.160 1.00 3.01 H new ATOM 0 HA LYS A 11 19.690 -1.354 0.011 1.00 2.38 H new ATOM 0 HB2 LYS A 11 19.490 -3.546 -1.228 1.00 2.57 H new ATOM 0 HB3 LYS A 11 20.862 -2.539 -1.647 1.00 2.57 H new ATOM 0 HG2 LYS A 11 21.818 -4.654 -1.540 1.00 3.33 H new ATOM 0 HG3 LYS A 11 22.197 -4.001 0.042 1.00 3.33 H new ATOM 0 HD2 LYS A 11 20.246 -5.194 1.012 1.00 4.00 H new ATOM 0 HD3 LYS A 11 19.839 -5.830 -0.570 1.00 4.00 H new ATOM 0 HE2 LYS A 11 21.065 -7.525 0.664 1.00 4.63 H new ATOM 0 HE3 LYS A 11 22.055 -6.971 -0.672 1.00 4.63 H new ATOM 0 HZ1 LYS A 11 23.223 -7.181 1.501 1.00 5.11 H new ATOM 0 HZ2 LYS A 11 23.363 -5.651 0.778 1.00 5.11 H new ATOM 0 HZ3 LYS A 11 22.297 -5.880 2.080 1.00 5.11 H new ATOM 55 N TYR A 12 17.918 -2.716 1.096 1.00 2.26 N ATOM 56 CA TYR A 12 16.888 -3.225 1.980 1.00 2.39 C ATOM 57 C TYR A 12 16.287 -4.462 1.343 1.00 1.68 C ATOM 58 O TYR A 12 15.555 -4.412 0.363 1.00 2.15 O ATOM 59 CB TYR A 12 15.834 -2.135 2.274 1.00 3.48 C ATOM 60 CG TYR A 12 16.084 -0.861 1.496 1.00 4.09 C ATOM 61 CD1 TYR A 12 17.225 -0.094 1.718 1.00 4.36 C ATOM 62 CD2 TYR A 12 15.227 -0.474 0.488 1.00 4.67 C ATOM 63 CE1 TYR A 12 17.487 1.021 0.956 1.00 5.04 C ATOM 64 CE2 TYR A 12 15.496 0.625 -0.291 1.00 5.39 C ATOM 65 CZ TYR A 12 16.620 1.366 -0.052 1.00 5.50 C ATOM 66 OH TYR A 12 16.921 2.404 -0.880 1.00 6.30 O ATOM 0 H TYR A 12 17.566 -2.185 0.299 1.00 2.26 H new ATOM 0 HA TYR A 12 17.312 -3.502 2.945 1.00 2.39 H new ATOM 0 HB2 TYR A 12 14.843 -2.517 2.030 1.00 3.48 H new ATOM 0 HB3 TYR A 12 15.835 -1.911 3.341 1.00 3.48 H new ATOM 0 HD1 TYR A 12 17.914 -0.379 2.499 1.00 4.36 H new ATOM 0 HD2 TYR A 12 14.328 -1.045 0.308 1.00 4.67 H new ATOM 0 HE1 TYR A 12 18.365 1.619 1.148 1.00 5.04 H new ATOM 0 HE2 TYR A 12 14.823 0.902 -1.089 1.00 5.39 H new ATOM 0 HH TYR A 12 16.204 2.516 -1.539 1.00 6.30 H new ATOM 76 N ASN A 13 16.659 -5.564 1.936 1.00 1.23 N ATOM 77 CA ASN A 13 16.502 -6.876 1.408 1.00 1.00 C ATOM 78 C ASN A 13 15.405 -7.628 2.137 1.00 0.86 C ATOM 79 O ASN A 13 15.248 -7.516 3.346 1.00 1.29 O ATOM 80 CB ASN A 13 17.858 -7.597 1.417 1.00 1.76 C ATOM 81 CG ASN A 13 18.332 -8.147 2.762 1.00 2.67 C ATOM 82 OD1 ASN A 13 18.977 -9.194 2.806 1.00 3.27 O ATOM 83 ND2 ASN A 13 18.058 -7.459 3.857 1.00 3.42 N ATOM 0 H ASN A 13 17.105 -5.561 2.853 1.00 1.23 H new ATOM 0 HA ASN A 13 16.175 -6.824 0.370 1.00 1.00 H new ATOM 0 HB2 ASN A 13 17.809 -8.424 0.709 1.00 1.76 H new ATOM 0 HB3 ASN A 13 18.614 -6.905 1.046 1.00 1.76 H new ATOM 0 HD21 ASN A 13 18.383 -7.793 4.764 1.00 3.42 H new ATOM 0 HD22 ASN A 13 17.522 -6.594 3.795 1.00 3.42 H new ATOM 90 N PHE A 14 14.677 -8.405 1.376 1.00 0.97 N ATOM 91 CA PHE A 14 13.362 -8.905 1.739 1.00 1.06 C ATOM 92 C PHE A 14 13.421 -9.757 2.992 1.00 0.93 C ATOM 93 O PHE A 14 14.272 -10.632 3.145 1.00 1.27 O ATOM 94 CB PHE A 14 12.776 -9.709 0.575 1.00 1.64 C ATOM 95 CG PHE A 14 11.339 -10.097 0.775 1.00 2.26 C ATOM 96 CD1 PHE A 14 10.326 -9.178 0.558 1.00 3.13 C ATOM 97 CD2 PHE A 14 11.001 -11.378 1.181 1.00 2.47 C ATOM 98 CE1 PHE A 14 9.003 -9.528 0.741 1.00 4.16 C ATOM 99 CE2 PHE A 14 9.679 -11.734 1.364 1.00 3.36 C ATOM 100 CZ PHE A 14 8.680 -10.807 1.145 1.00 4.21 C ATOM 0 H PHE A 14 14.987 -8.721 0.457 1.00 0.97 H new ATOM 0 HA PHE A 14 12.717 -8.052 1.950 1.00 1.06 H new ATOM 0 HB2 PHE A 14 12.861 -9.123 -0.340 1.00 1.64 H new ATOM 0 HB3 PHE A 14 13.371 -10.611 0.432 1.00 1.64 H new ATOM 0 HD1 PHE A 14 10.574 -8.175 0.242 1.00 3.13 H new ATOM 0 HD2 PHE A 14 11.779 -12.106 1.356 1.00 2.47 H new ATOM 0 HE1 PHE A 14 8.222 -8.802 0.568 1.00 4.16 H new ATOM 0 HE2 PHE A 14 9.427 -12.736 1.678 1.00 3.36 H new ATOM 0 HZ PHE A 14 7.646 -11.083 1.290 1.00 4.21 H new ATOM 110 N MET A 15 12.481 -9.466 3.873 1.00 0.73 N ATOM 111 CA MET A 15 12.516 -9.871 5.256 1.00 0.74 C ATOM 112 C MET A 15 11.739 -11.159 5.441 1.00 0.70 C ATOM 113 O MET A 15 12.286 -12.190 5.832 1.00 0.79 O ATOM 114 CB MET A 15 11.882 -8.763 6.098 1.00 0.84 C ATOM 115 CG MET A 15 11.994 -8.981 7.600 1.00 1.48 C ATOM 116 SD MET A 15 11.120 -7.715 8.544 1.00 2.32 S ATOM 117 CE MET A 15 11.484 -8.226 10.222 1.00 2.91 C ATOM 0 H MET A 15 11.650 -8.925 3.633 1.00 0.73 H new ATOM 0 HA MET A 15 13.547 -10.040 5.567 1.00 0.74 H new ATOM 0 HB2 MET A 15 12.353 -7.814 5.844 1.00 0.84 H new ATOM 0 HB3 MET A 15 10.828 -8.677 5.832 1.00 0.84 H new ATOM 0 HG2 MET A 15 11.592 -9.962 7.853 1.00 1.48 H new ATOM 0 HG3 MET A 15 13.046 -8.984 7.887 1.00 1.48 H new ATOM 0 HE1 MET A 15 11.010 -7.538 10.923 1.00 2.91 H new ATOM 0 HE2 MET A 15 11.101 -9.233 10.387 1.00 2.91 H new ATOM 0 HE3 MET A 15 12.563 -8.218 10.379 1.00 2.91 H new ATOM 127 N ARG A 16 10.453 -11.071 5.166 1.00 0.61 N ATOM 128 CA ARG A 16 9.520 -12.129 5.450 1.00 0.61 C ATOM 129 C ARG A 16 8.249 -11.953 4.627 1.00 0.56 C ATOM 130 O ARG A 16 7.842 -10.829 4.314 1.00 0.52 O ATOM 131 CB ARG A 16 9.185 -12.078 6.942 1.00 0.63 C ATOM 132 CG ARG A 16 8.937 -10.663 7.463 1.00 0.72 C ATOM 133 CD ARG A 16 7.497 -10.218 7.283 1.00 1.06 C ATOM 134 NE ARG A 16 6.635 -10.649 8.381 1.00 1.64 N ATOM 135 CZ ARG A 16 6.194 -9.822 9.330 1.00 2.09 C ATOM 136 NH1 ARG A 16 6.636 -8.569 9.375 1.00 2.43 N ATOM 137 NH2 ARG A 16 5.338 -10.245 10.250 1.00 2.73 N ATOM 0 H ARG A 16 10.027 -10.251 4.734 1.00 0.61 H new ATOM 0 HA ARG A 16 9.960 -13.092 5.191 1.00 0.61 H new ATOM 0 HB2 ARG A 16 8.300 -12.686 7.128 1.00 0.63 H new ATOM 0 HB3 ARG A 16 10.003 -12.526 7.506 1.00 0.63 H new ATOM 0 HG2 ARG A 16 9.198 -10.618 8.520 1.00 0.72 H new ATOM 0 HG3 ARG A 16 9.596 -9.968 6.943 1.00 0.72 H new ATOM 0 HD2 ARG A 16 7.463 -9.131 7.204 1.00 1.06 H new ATOM 0 HD3 ARG A 16 7.112 -10.617 6.345 1.00 1.06 H new ATOM 0 HE ARG A 16 6.357 -11.629 8.424 1.00 1.64 H new ATOM 0 HH11 ARG A 16 7.311 -8.241 8.684 1.00 2.43 H new ATOM 0 HH12 ARG A 16 6.300 -7.935 10.100 1.00 2.43 H new ATOM 0 HH21 ARG A 16 5.011 -11.211 10.236 1.00 2.73 H new ATOM 0 HH22 ARG A 16 5.007 -9.604 10.971 1.00 2.73 H new ATOM 151 N ILE A 17 7.642 -13.069 4.268 1.00 0.62 N ATOM 152 CA ILE A 17 6.404 -13.066 3.506 1.00 0.61 C ATOM 153 C ILE A 17 5.207 -12.820 4.418 1.00 0.57 C ATOM 154 O ILE A 17 4.904 -13.620 5.308 1.00 0.64 O ATOM 155 CB ILE A 17 6.211 -14.379 2.711 1.00 0.73 C ATOM 156 CG1 ILE A 17 6.354 -15.607 3.620 1.00 1.68 C ATOM 157 CG2 ILE A 17 7.202 -14.447 1.556 1.00 1.41 C ATOM 158 CD1 ILE A 17 6.109 -16.923 2.912 1.00 2.26 C ATOM 0 H ILE A 17 7.990 -14.000 4.495 1.00 0.62 H new ATOM 0 HA ILE A 17 6.473 -12.250 2.786 1.00 0.61 H new ATOM 0 HB ILE A 17 5.199 -14.383 2.305 1.00 0.73 H new ATOM 0 HG12 ILE A 17 7.357 -15.616 4.048 1.00 1.68 H new ATOM 0 HG13 ILE A 17 5.654 -15.516 4.451 1.00 1.68 H new ATOM 0 HG21 ILE A 17 7.055 -15.376 1.005 1.00 1.41 H new ATOM 0 HG22 ILE A 17 7.042 -13.600 0.889 1.00 1.41 H new ATOM 0 HG23 ILE A 17 8.219 -14.414 1.947 1.00 1.41 H new ATOM 0 HD11 ILE A 17 6.228 -17.744 3.619 1.00 2.26 H new ATOM 0 HD12 ILE A 17 5.097 -16.936 2.508 1.00 2.26 H new ATOM 0 HD13 ILE A 17 6.826 -17.038 2.099 1.00 2.26 H new ATOM 170 N ILE A 18 4.542 -11.692 4.214 1.00 0.49 N ATOM 171 CA ILE A 18 3.389 -11.334 5.021 1.00 0.48 C ATOM 172 C ILE A 18 2.112 -11.902 4.394 1.00 0.48 C ATOM 173 O ILE A 18 2.068 -13.071 4.014 1.00 0.52 O ATOM 174 CB ILE A 18 3.261 -9.803 5.224 1.00 0.44 C ATOM 175 CG1 ILE A 18 4.640 -9.184 5.464 1.00 0.44 C ATOM 176 CG2 ILE A 18 2.349 -9.495 6.411 1.00 0.50 C ATOM 177 CD1 ILE A 18 4.596 -7.712 5.813 1.00 0.94 C ATOM 0 H ILE A 18 4.783 -11.010 3.495 1.00 0.49 H new ATOM 0 HA ILE A 18 3.534 -11.773 6.008 1.00 0.48 H new ATOM 0 HB ILE A 18 2.826 -9.373 4.322 1.00 0.44 H new ATOM 0 HG12 ILE A 18 5.135 -9.725 6.271 1.00 0.44 H new ATOM 0 HG13 ILE A 18 5.249 -9.318 4.570 1.00 0.44 H new ATOM 0 HG21 ILE A 18 2.270 -8.415 6.539 1.00 0.50 H new ATOM 0 HG22 ILE A 18 1.359 -9.912 6.227 1.00 0.50 H new ATOM 0 HG23 ILE A 18 2.766 -9.938 7.315 1.00 0.50 H new ATOM 0 HD11 ILE A 18 5.610 -7.344 5.969 1.00 0.94 H new ATOM 0 HD12 ILE A 18 4.131 -7.158 4.997 1.00 0.94 H new ATOM 0 HD13 ILE A 18 4.015 -7.571 6.725 1.00 0.94 H new ATOM 189 N LYS A 19 1.088 -11.079 4.279 1.00 0.45 N ATOM 190 CA LYS A 19 -0.234 -11.555 3.885 1.00 0.46 C ATOM 191 C LYS A 19 -0.539 -11.134 2.456 1.00 0.42 C ATOM 192 O LYS A 19 0.056 -10.194 1.951 1.00 0.49 O ATOM 193 CB LYS A 19 -1.299 -11.017 4.846 1.00 0.54 C ATOM 194 CG LYS A 19 -1.025 -11.350 6.310 1.00 1.13 C ATOM 195 CD LYS A 19 -2.104 -10.797 7.232 1.00 1.85 C ATOM 196 CE LYS A 19 -3.414 -11.561 7.097 1.00 2.57 C ATOM 197 NZ LYS A 19 -3.350 -12.909 7.721 1.00 2.68 N ATOM 0 H LYS A 19 1.141 -10.075 4.452 1.00 0.45 H new ATOM 0 HA LYS A 19 -0.246 -12.644 3.933 1.00 0.46 H new ATOM 0 HB2 LYS A 19 -1.364 -9.935 4.734 1.00 0.54 H new ATOM 0 HB3 LYS A 19 -2.270 -11.425 4.565 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.964 -12.432 6.431 1.00 1.13 H new ATOM 0 HG3 LYS A 19 -0.057 -10.942 6.600 1.00 1.13 H new ATOM 0 HD2 LYS A 19 -1.759 -10.847 8.265 1.00 1.85 H new ATOM 0 HD3 LYS A 19 -2.272 -9.745 7.003 1.00 1.85 H new ATOM 0 HE2 LYS A 19 -4.216 -10.987 7.561 1.00 2.57 H new ATOM 0 HE3 LYS A 19 -3.665 -11.664 6.041 1.00 2.57 H new ATOM 0 HZ1 LYS A 19 -4.292 -13.349 7.694 1.00 2.68 H new ATOM 0 HZ2 LYS A 19 -2.675 -13.502 7.197 1.00 2.68 H new ATOM 0 HZ3 LYS A 19 -3.038 -12.820 8.709 1.00 2.68 H new ATOM 211 N TYR A 20 -1.466 -11.827 1.812 1.00 0.37 N ATOM 212 CA TYR A 20 -1.746 -11.600 0.394 1.00 0.41 C ATOM 213 C TYR A 20 -3.181 -11.966 0.031 1.00 0.31 C ATOM 214 O TYR A 20 -3.825 -12.753 0.732 1.00 0.33 O ATOM 215 CB TYR A 20 -0.756 -12.415 -0.451 1.00 0.67 C ATOM 216 CG TYR A 20 -0.873 -13.914 -0.281 1.00 1.13 C ATOM 217 CD1 TYR A 20 -0.154 -14.583 0.702 1.00 1.45 C ATOM 218 CD2 TYR A 20 -1.698 -14.661 -1.114 1.00 1.34 C ATOM 219 CE1 TYR A 20 -0.258 -15.951 0.854 1.00 1.93 C ATOM 220 CE2 TYR A 20 -1.807 -16.028 -0.968 1.00 1.82 C ATOM 221 CZ TYR A 20 -1.086 -16.669 0.016 1.00 2.10 C ATOM 222 OH TYR A 20 -1.192 -18.033 0.161 1.00 2.59 O ATOM 0 H TYR A 20 -2.039 -12.552 2.244 1.00 0.37 H new ATOM 0 HA TYR A 20 -1.625 -10.537 0.186 1.00 0.41 H new ATOM 0 HB2 TYR A 20 -0.906 -12.168 -1.502 1.00 0.67 H new ATOM 0 HB3 TYR A 20 0.259 -12.111 -0.194 1.00 0.67 H new ATOM 0 HD1 TYR A 20 0.497 -14.024 1.358 1.00 1.45 H new ATOM 0 HD2 TYR A 20 -2.263 -14.163 -1.888 1.00 1.34 H new ATOM 0 HE1 TYR A 20 0.305 -16.456 1.624 1.00 1.93 H new ATOM 0 HE2 TYR A 20 -2.454 -16.594 -1.622 1.00 1.82 H new ATOM 0 HH TYR A 20 -1.817 -18.385 -0.507 1.00 2.59 H new ATOM 232 N GLU A 21 -3.656 -11.398 -1.080 1.00 0.33 N ATOM 233 CA GLU A 21 -5.007 -11.642 -1.593 1.00 0.32 C ATOM 234 C GLU A 21 -6.055 -11.280 -0.556 1.00 0.28 C ATOM 235 O GLU A 21 -7.081 -11.949 -0.403 1.00 0.30 O ATOM 236 CB GLU A 21 -5.153 -13.107 -2.023 1.00 0.35 C ATOM 237 CG GLU A 21 -6.372 -13.394 -2.886 1.00 0.98 C ATOM 238 CD GLU A 21 -6.095 -13.279 -4.371 1.00 1.16 C ATOM 239 OE1 GLU A 21 -6.005 -12.145 -4.885 1.00 1.53 O ATOM 240 OE2 GLU A 21 -5.984 -14.334 -5.036 1.00 1.73 O ATOM 0 H GLU A 21 -3.112 -10.752 -1.652 1.00 0.33 H new ATOM 0 HA GLU A 21 -5.165 -11.006 -2.464 1.00 0.32 H new ATOM 0 HB2 GLU A 21 -4.258 -13.402 -2.571 1.00 0.35 H new ATOM 0 HB3 GLU A 21 -5.201 -13.731 -1.131 1.00 0.35 H new ATOM 0 HG2 GLU A 21 -6.735 -14.398 -2.668 1.00 0.98 H new ATOM 0 HG3 GLU A 21 -7.170 -12.702 -2.618 1.00 0.98 H new ATOM 247 N PHE A 22 -5.782 -10.217 0.156 1.00 0.26 N ATOM 248 CA PHE A 22 -6.710 -9.693 1.116 1.00 0.26 C ATOM 249 C PHE A 22 -7.357 -8.458 0.552 1.00 0.24 C ATOM 250 O PHE A 22 -6.838 -7.833 -0.374 1.00 0.27 O ATOM 251 CB PHE A 22 -6.035 -9.413 2.458 1.00 0.32 C ATOM 252 CG PHE A 22 -5.871 -10.656 3.283 1.00 1.08 C ATOM 253 CD1 PHE A 22 -6.929 -11.141 4.036 1.00 1.98 C ATOM 254 CD2 PHE A 22 -4.675 -11.349 3.290 1.00 1.15 C ATOM 255 CE1 PHE A 22 -6.794 -12.295 4.784 1.00 2.89 C ATOM 256 CE2 PHE A 22 -4.533 -12.506 4.032 1.00 2.05 C ATOM 257 CZ PHE A 22 -5.594 -12.980 4.780 1.00 2.92 C ATOM 0 H PHE A 22 -4.910 -9.693 0.084 1.00 0.26 H new ATOM 0 HA PHE A 22 -7.480 -10.440 1.310 1.00 0.26 H new ATOM 0 HB2 PHE A 22 -5.057 -8.964 2.284 1.00 0.32 H new ATOM 0 HB3 PHE A 22 -6.626 -8.685 3.015 1.00 0.32 H new ATOM 0 HD1 PHE A 22 -7.870 -10.611 4.038 1.00 1.98 H new ATOM 0 HD2 PHE A 22 -3.842 -10.982 2.709 1.00 1.15 H new ATOM 0 HE1 PHE A 22 -7.624 -12.661 5.370 1.00 2.89 H new ATOM 0 HE2 PHE A 22 -3.594 -13.039 4.027 1.00 2.05 H new ATOM 0 HZ PHE A 22 -5.485 -13.884 5.360 1.00 2.92 H new ATOM 267 N ILE A 23 -8.473 -8.100 1.117 1.00 0.22 N ATOM 268 CA ILE A 23 -9.245 -6.999 0.614 1.00 0.21 C ATOM 269 C ILE A 23 -8.919 -5.795 1.422 1.00 0.19 C ATOM 270 O ILE A 23 -9.067 -5.773 2.635 1.00 0.22 O ATOM 271 CB ILE A 23 -10.755 -7.209 0.731 1.00 0.28 C ATOM 272 CG1 ILE A 23 -11.160 -8.597 0.226 1.00 0.36 C ATOM 273 CG2 ILE A 23 -11.475 -6.120 -0.049 1.00 0.36 C ATOM 274 CD1 ILE A 23 -10.752 -8.864 -1.205 1.00 0.84 C ATOM 0 H ILE A 23 -8.873 -8.559 1.935 1.00 0.22 H new ATOM 0 HA ILE A 23 -8.994 -6.897 -0.442 1.00 0.21 H new ATOM 0 HB ILE A 23 -11.040 -7.149 1.781 1.00 0.28 H new ATOM 0 HG12 ILE A 23 -10.712 -9.354 0.870 1.00 0.36 H new ATOM 0 HG13 ILE A 23 -12.241 -8.705 0.313 1.00 0.36 H new ATOM 0 HG21 ILE A 23 -12.552 -6.266 0.032 1.00 0.36 H new ATOM 0 HG22 ILE A 23 -11.210 -5.145 0.359 1.00 0.36 H new ATOM 0 HG23 ILE A 23 -11.180 -6.168 -1.097 1.00 0.36 H new ATOM 0 HD11 ILE A 23 -11.072 -9.865 -1.494 1.00 0.84 H new ATOM 0 HD12 ILE A 23 -11.221 -8.130 -1.860 1.00 0.84 H new ATOM 0 HD13 ILE A 23 -9.668 -8.789 -1.294 1.00 0.84 H new ATOM 286 N LEU A 24 -8.504 -4.789 0.745 1.00 0.18 N ATOM 287 CA LEU A 24 -7.958 -3.651 1.420 1.00 0.19 C ATOM 288 C LEU A 24 -8.993 -2.556 1.533 1.00 0.20 C ATOM 289 O LEU A 24 -9.538 -2.084 0.541 1.00 0.23 O ATOM 290 CB LEU A 24 -6.705 -3.195 0.684 1.00 0.23 C ATOM 291 CG LEU A 24 -5.638 -2.608 1.586 1.00 0.53 C ATOM 292 CD1 LEU A 24 -5.198 -3.608 2.638 1.00 1.32 C ATOM 293 CD2 LEU A 24 -4.451 -2.112 0.776 1.00 1.41 C ATOM 0 H LEU A 24 -8.528 -4.721 -0.272 1.00 0.18 H new ATOM 0 HA LEU A 24 -7.676 -3.916 2.439 1.00 0.19 H new ATOM 0 HB2 LEU A 24 -6.284 -4.044 0.145 1.00 0.23 H new ATOM 0 HB3 LEU A 24 -6.985 -2.451 -0.062 1.00 0.23 H new ATOM 0 HG LEU A 24 -6.074 -1.752 2.102 1.00 0.53 H new ATOM 0 HD11 LEU A 24 -4.432 -3.158 3.270 1.00 1.32 H new ATOM 0 HD12 LEU A 24 -6.054 -3.891 3.251 1.00 1.32 H new ATOM 0 HD13 LEU A 24 -4.792 -4.494 2.150 1.00 1.32 H new ATOM 0 HD21 LEU A 24 -3.700 -1.696 1.448 1.00 1.41 H new ATOM 0 HD22 LEU A 24 -4.018 -2.943 0.219 1.00 1.41 H new ATOM 0 HD23 LEU A 24 -4.782 -1.341 0.080 1.00 1.41 H new ATOM 305 N ASN A 25 -9.264 -2.187 2.777 1.00 0.19 N ATOM 306 CA ASN A 25 -10.282 -1.196 3.106 1.00 0.19 C ATOM 307 C ASN A 25 -9.733 -0.217 4.110 1.00 0.18 C ATOM 308 O ASN A 25 -8.973 -0.599 4.961 1.00 0.22 O ATOM 309 CB ASN A 25 -11.502 -1.878 3.716 1.00 0.29 C ATOM 310 CG ASN A 25 -12.314 -2.631 2.699 1.00 0.92 C ATOM 311 OD1 ASN A 25 -13.314 -2.126 2.202 1.00 1.74 O ATOM 312 ND2 ASN A 25 -11.882 -3.835 2.363 1.00 1.72 N ATOM 0 H ASN A 25 -8.782 -2.568 3.591 1.00 0.19 H new ATOM 0 HA ASN A 25 -10.568 -0.677 2.191 1.00 0.19 H new ATOM 0 HB2 ASN A 25 -11.177 -2.566 4.497 1.00 0.29 H new ATOM 0 HB3 ASN A 25 -12.131 -1.128 4.194 1.00 0.29 H new ATOM 0 HD21 ASN A 25 -12.386 -4.381 1.665 1.00 1.72 H new ATOM 0 HD22 ASN A 25 -11.044 -4.217 2.802 1.00 1.72 H new ATOM 319 N ASP A 26 -10.139 1.024 4.033 1.00 0.16 N ATOM 320 CA ASP A 26 -9.707 2.019 5.012 1.00 0.17 C ATOM 321 C ASP A 26 -10.685 2.124 6.153 1.00 0.18 C ATOM 322 O ASP A 26 -11.603 1.323 6.288 1.00 0.20 O ATOM 323 CB ASP A 26 -9.556 3.412 4.358 1.00 0.19 C ATOM 324 CG ASP A 26 -10.821 3.942 3.753 1.00 0.40 C ATOM 325 OD1 ASP A 26 -11.712 3.145 3.451 1.00 0.66 O ATOM 326 OD2 ASP A 26 -10.915 5.167 3.574 1.00 1.04 O ATOM 0 H ASP A 26 -10.765 1.380 3.311 1.00 0.16 H new ATOM 0 HA ASP A 26 -8.741 1.689 5.395 1.00 0.17 H new ATOM 0 HB2 ASP A 26 -9.201 4.118 5.109 1.00 0.19 H new ATOM 0 HB3 ASP A 26 -8.790 3.358 3.584 1.00 0.19 H new ATOM 331 N ALA A 27 -10.394 3.056 7.022 1.00 0.21 N ATOM 332 CA ALA A 27 -11.240 3.348 8.186 1.00 0.25 C ATOM 333 C ALA A 27 -12.556 3.919 7.721 1.00 0.24 C ATOM 334 O ALA A 27 -13.567 3.872 8.423 1.00 0.28 O ATOM 335 CB ALA A 27 -10.568 4.323 9.135 1.00 0.32 C ATOM 0 H ALA A 27 -9.564 3.645 6.956 1.00 0.21 H new ATOM 0 HA ALA A 27 -11.406 2.416 8.725 1.00 0.25 H new ATOM 0 HB1 ALA A 27 -11.224 4.515 9.984 1.00 0.32 H new ATOM 0 HB2 ALA A 27 -9.630 3.897 9.490 1.00 0.32 H new ATOM 0 HB3 ALA A 27 -10.367 5.259 8.613 1.00 0.32 H new ATOM 341 N LEU A 28 -12.525 4.461 6.520 1.00 0.21 N ATOM 342 CA LEU A 28 -13.756 4.913 5.857 1.00 0.24 C ATOM 343 C LEU A 28 -14.510 3.701 5.381 1.00 0.23 C ATOM 344 O LEU A 28 -15.710 3.733 5.097 1.00 0.29 O ATOM 345 CB LEU A 28 -13.445 5.793 4.655 1.00 0.25 C ATOM 346 CG LEU A 28 -12.802 7.118 4.985 1.00 0.31 C ATOM 347 CD1 LEU A 28 -12.629 7.942 3.719 1.00 0.48 C ATOM 348 CD2 LEU A 28 -13.637 7.870 6.015 1.00 0.48 C ATOM 0 H LEU A 28 -11.673 4.603 5.977 1.00 0.21 H new ATOM 0 HA LEU A 28 -14.343 5.494 6.568 1.00 0.24 H new ATOM 0 HB2 LEU A 28 -12.786 5.244 3.982 1.00 0.25 H new ATOM 0 HB3 LEU A 28 -14.371 5.981 4.112 1.00 0.25 H new ATOM 0 HG LEU A 28 -11.817 6.938 5.415 1.00 0.31 H new ATOM 0 HD11 LEU A 28 -12.164 8.896 3.967 1.00 0.48 H new ATOM 0 HD12 LEU A 28 -11.995 7.401 3.017 1.00 0.48 H new ATOM 0 HD13 LEU A 28 -13.604 8.120 3.265 1.00 0.48 H new ATOM 0 HD21 LEU A 28 -13.161 8.824 6.243 1.00 0.48 H new ATOM 0 HD22 LEU A 28 -14.635 8.049 5.614 1.00 0.48 H new ATOM 0 HD23 LEU A 28 -13.713 7.276 6.925 1.00 0.48 H new ATOM 360 N ASN A 29 -13.742 2.637 5.344 1.00 0.20 N ATOM 361 CA ASN A 29 -14.107 1.365 4.788 1.00 0.23 C ATOM 362 C ASN A 29 -14.521 1.551 3.361 1.00 0.24 C ATOM 363 O ASN A 29 -15.701 1.485 3.030 1.00 0.28 O ATOM 364 CB ASN A 29 -15.256 0.699 5.535 1.00 0.29 C ATOM 365 CG ASN A 29 -15.091 0.685 7.046 1.00 0.60 C ATOM 366 OD1 ASN A 29 -14.528 -0.252 7.614 1.00 1.32 O ATOM 367 ND2 ASN A 29 -15.604 1.708 7.711 1.00 1.30 N ATOM 0 H ASN A 29 -12.795 2.641 5.723 1.00 0.20 H new ATOM 0 HA ASN A 29 -13.233 0.719 4.873 1.00 0.23 H new ATOM 0 HB2 ASN A 29 -16.184 1.215 5.287 1.00 0.29 H new ATOM 0 HB3 ASN A 29 -15.358 -0.327 5.182 1.00 0.29 H new ATOM 0 HD21 ASN A 29 -15.540 1.738 8.729 1.00 1.30 H new ATOM 0 HD22 ASN A 29 -16.063 2.466 7.206 1.00 1.30 H new ATOM 374 N GLN A 30 -13.553 1.761 2.512 1.00 0.23 N ATOM 375 CA GLN A 30 -13.783 1.730 1.116 1.00 0.24 C ATOM 376 C GLN A 30 -12.739 0.814 0.561 1.00 0.22 C ATOM 377 O GLN A 30 -11.548 1.121 0.607 1.00 0.28 O ATOM 378 CB GLN A 30 -13.643 3.138 0.526 1.00 0.36 C ATOM 379 CG GLN A 30 -14.403 4.204 1.301 1.00 0.98 C ATOM 380 CD GLN A 30 -15.903 4.128 1.102 1.00 1.41 C ATOM 381 OE1 GLN A 30 -16.387 3.810 0.017 1.00 2.21 O ATOM 382 NE2 GLN A 30 -16.651 4.399 2.158 1.00 1.84 N ATOM 0 H GLN A 30 -12.588 1.957 2.780 1.00 0.23 H new ATOM 0 HA GLN A 30 -14.788 1.384 0.873 1.00 0.24 H new ATOM 0 HB2 GLN A 30 -12.587 3.407 0.496 1.00 0.36 H new ATOM 0 HB3 GLN A 30 -13.998 3.128 -0.504 1.00 0.36 H new ATOM 0 HG2 GLN A 30 -14.178 4.103 2.363 1.00 0.98 H new ATOM 0 HG3 GLN A 30 -14.051 5.189 0.993 1.00 0.98 H new ATOM 0 HE21 GLN A 30 -16.212 4.659 3.041 1.00 1.84 H new ATOM 0 HE22 GLN A 30 -17.667 4.348 2.090 1.00 1.84 H new ATOM 391 N SER A 31 -13.167 -0.324 0.066 1.00 0.23 N ATOM 392 CA SER A 31 -12.231 -1.257 -0.467 1.00 0.26 C ATOM 393 C SER A 31 -11.638 -0.634 -1.713 1.00 0.21 C ATOM 394 O SER A 31 -12.351 -0.288 -2.655 1.00 0.21 O ATOM 395 CB SER A 31 -12.925 -2.601 -0.732 1.00 0.36 C ATOM 396 OG SER A 31 -14.056 -2.463 -1.574 1.00 1.23 O ATOM 0 H SER A 31 -14.144 -0.614 0.026 1.00 0.23 H new ATOM 0 HA SER A 31 -11.424 -1.472 0.233 1.00 0.26 H new ATOM 0 HB2 SER A 31 -12.215 -3.290 -1.190 1.00 0.36 H new ATOM 0 HB3 SER A 31 -13.232 -3.043 0.216 1.00 0.36 H new ATOM 0 HG SER A 31 -14.159 -1.523 -1.832 1.00 1.23 H new ATOM 402 N ILE A 32 -10.336 -0.467 -1.692 1.00 0.21 N ATOM 403 CA ILE A 32 -9.661 0.289 -2.714 1.00 0.20 C ATOM 404 C ILE A 32 -9.562 -0.507 -4.029 1.00 0.21 C ATOM 405 O ILE A 32 -8.791 -1.456 -4.139 1.00 0.24 O ATOM 406 CB ILE A 32 -8.257 0.763 -2.247 1.00 0.24 C ATOM 407 CG1 ILE A 32 -7.299 -0.413 -2.020 1.00 1.11 C ATOM 408 CG2 ILE A 32 -8.388 1.568 -0.970 1.00 1.23 C ATOM 409 CD1 ILE A 32 -5.856 0.004 -1.838 1.00 1.72 C ATOM 0 H ILE A 32 -9.722 -0.848 -0.972 1.00 0.21 H new ATOM 0 HA ILE A 32 -10.263 1.178 -2.903 1.00 0.20 H new ATOM 0 HB ILE A 32 -7.838 1.383 -3.039 1.00 0.24 H new ATOM 0 HG12 ILE A 32 -7.621 -0.968 -1.139 1.00 1.11 H new ATOM 0 HG13 ILE A 32 -7.367 -1.094 -2.868 1.00 1.11 H new ATOM 0 HG21 ILE A 32 -7.401 1.899 -0.646 1.00 1.23 H new ATOM 0 HG22 ILE A 32 -9.021 2.437 -1.151 1.00 1.23 H new ATOM 0 HG23 ILE A 32 -8.836 0.948 -0.194 1.00 1.23 H new ATOM 0 HD11 ILE A 32 -5.238 -0.881 -1.682 1.00 1.72 H new ATOM 0 HD12 ILE A 32 -5.515 0.533 -2.728 1.00 1.72 H new ATOM 0 HD13 ILE A 32 -5.774 0.661 -0.972 1.00 1.72 H new ATOM 421 N ILE A 33 -10.384 -0.171 -5.008 1.00 0.21 N ATOM 422 CA ILE A 33 -10.358 -0.892 -6.280 1.00 0.24 C ATOM 423 C ILE A 33 -9.563 -0.092 -7.311 1.00 0.24 C ATOM 424 O ILE A 33 -9.562 1.138 -7.284 1.00 0.24 O ATOM 425 CB ILE A 33 -11.788 -1.110 -6.830 1.00 0.28 C ATOM 426 CG1 ILE A 33 -12.735 -1.552 -5.708 1.00 0.80 C ATOM 427 CG2 ILE A 33 -11.776 -2.144 -7.949 1.00 0.77 C ATOM 428 CD1 ILE A 33 -14.179 -1.696 -6.145 1.00 0.91 C ATOM 0 H ILE A 33 -11.069 0.583 -4.955 1.00 0.21 H new ATOM 0 HA ILE A 33 -9.892 -1.861 -6.103 1.00 0.24 H new ATOM 0 HB ILE A 33 -12.148 -0.164 -7.234 1.00 0.28 H new ATOM 0 HG12 ILE A 33 -12.390 -2.506 -5.309 1.00 0.80 H new ATOM 0 HG13 ILE A 33 -12.682 -0.828 -4.895 1.00 0.80 H new ATOM 0 HG21 ILE A 33 -12.789 -2.285 -8.325 1.00 0.77 H new ATOM 0 HG22 ILE A 33 -11.134 -1.797 -8.759 1.00 0.77 H new ATOM 0 HG23 ILE A 33 -11.396 -3.091 -7.565 1.00 0.77 H new ATOM 0 HD11 ILE A 33 -14.786 -2.011 -5.296 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.544 -0.738 -6.516 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -14.247 -2.442 -6.937 1.00 0.91 H new ATOM 440 N ARG A 34 -8.906 -0.780 -8.233 1.00 0.31 N ATOM 441 CA ARG A 34 -8.174 -0.102 -9.289 1.00 0.35 C ATOM 442 C ARG A 34 -9.146 0.304 -10.391 1.00 0.36 C ATOM 443 O ARG A 34 -9.850 -0.531 -10.962 1.00 0.42 O ATOM 444 CB ARG A 34 -7.020 -0.977 -9.822 1.00 0.48 C ATOM 445 CG ARG A 34 -7.437 -2.122 -10.738 1.00 1.04 C ATOM 446 CD ARG A 34 -7.311 -1.731 -12.202 1.00 1.16 C ATOM 447 NE ARG A 34 -7.852 -2.748 -13.098 1.00 1.48 N ATOM 448 CZ ARG A 34 -7.231 -3.179 -14.191 1.00 1.79 C ATOM 449 NH1 ARG A 34 -6.015 -2.745 -14.482 1.00 2.09 N ATOM 450 NH2 ARG A 34 -7.822 -4.055 -14.989 1.00 2.47 N ATOM 0 H ARG A 34 -8.865 -1.798 -8.271 1.00 0.31 H new ATOM 0 HA ARG A 34 -7.711 0.800 -8.888 1.00 0.35 H new ATOM 0 HB2 ARG A 34 -6.322 -0.338 -10.362 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -6.479 -1.393 -8.972 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -6.816 -2.995 -10.538 1.00 1.04 H new ATOM 0 HG3 ARG A 34 -8.467 -2.407 -10.523 1.00 1.04 H new ATOM 0 HD2 ARG A 34 -7.832 -0.789 -12.370 1.00 1.16 H new ATOM 0 HD3 ARG A 34 -6.261 -1.561 -12.441 1.00 1.16 H new ATOM 0 HE ARG A 34 -8.761 -3.152 -12.872 1.00 1.48 H new ATOM 0 HH11 ARG A 34 -5.551 -2.077 -13.866 1.00 2.09 H new ATOM 0 HH12 ARG A 34 -5.542 -3.078 -15.322 1.00 2.09 H new ATOM 0 HH21 ARG A 34 -8.755 -4.400 -14.765 1.00 2.47 H new ATOM 0 HH22 ARG A 34 -7.344 -4.385 -15.828 1.00 2.47 H new ATOM 464 N ALA A 35 -9.226 1.597 -10.643 1.00 0.37 N ATOM 465 CA ALA A 35 -10.160 2.124 -11.629 1.00 0.46 C ATOM 466 C ALA A 35 -9.488 2.176 -12.984 1.00 0.53 C ATOM 467 O ALA A 35 -10.109 1.972 -14.025 1.00 0.63 O ATOM 468 CB ALA A 35 -10.642 3.505 -11.221 1.00 0.54 C ATOM 0 H ALA A 35 -8.656 2.305 -10.180 1.00 0.37 H new ATOM 0 HA ALA A 35 -11.027 1.466 -11.686 1.00 0.46 H new ATOM 0 HB1 ALA A 35 -11.339 3.883 -11.969 1.00 0.54 H new ATOM 0 HB2 ALA A 35 -11.144 3.445 -10.255 1.00 0.54 H new ATOM 0 HB3 ALA A 35 -9.790 4.180 -11.145 1.00 0.54 H new ATOM 474 N ASN A 36 -8.204 2.456 -12.942 1.00 0.53 N ATOM 475 CA ASN A 36 -7.370 2.502 -14.119 1.00 0.66 C ATOM 476 C ASN A 36 -6.008 1.955 -13.733 1.00 0.65 C ATOM 477 O ASN A 36 -5.720 1.806 -12.547 1.00 0.55 O ATOM 478 CB ASN A 36 -7.274 3.946 -14.628 1.00 0.76 C ATOM 479 CG ASN A 36 -6.467 4.077 -15.904 1.00 1.43 C ATOM 480 OD1 ASN A 36 -5.277 4.387 -15.868 1.00 2.25 O ATOM 481 ND2 ASN A 36 -7.104 3.828 -17.035 1.00 1.93 N ATOM 0 H ASN A 36 -7.705 2.661 -12.076 1.00 0.53 H new ATOM 0 HA ASN A 36 -7.788 1.901 -14.927 1.00 0.66 H new ATOM 0 HB2 ASN A 36 -8.279 4.331 -14.800 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -6.823 4.568 -13.855 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -6.608 3.890 -17.924 1.00 1.93 H new ATOM 0 HD22 ASN A 36 -8.092 3.574 -17.019 1.00 1.93 H new ATOM 488 N ASP A 37 -5.181 1.638 -14.712 1.00 0.81 N ATOM 489 CA ASP A 37 -3.882 1.043 -14.433 1.00 0.88 C ATOM 490 C ASP A 37 -2.905 2.068 -13.865 1.00 0.79 C ATOM 491 O ASP A 37 -1.769 1.735 -13.548 1.00 0.88 O ATOM 492 CB ASP A 37 -3.287 0.401 -15.692 1.00 1.10 C ATOM 493 CG ASP A 37 -3.999 -0.872 -16.104 1.00 1.76 C ATOM 494 OD1 ASP A 37 -5.115 -0.784 -16.657 1.00 2.10 O ATOM 495 OD2 ASP A 37 -3.444 -1.968 -15.882 1.00 2.51 O ATOM 0 H ASP A 37 -5.381 1.780 -15.702 1.00 0.81 H new ATOM 0 HA ASP A 37 -4.041 0.268 -13.683 1.00 0.88 H new ATOM 0 HB2 ASP A 37 -3.331 1.117 -16.513 1.00 1.10 H new ATOM 0 HB3 ASP A 37 -2.234 0.181 -15.517 1.00 1.10 H new ATOM 500 N GLN A 38 -3.340 3.315 -13.761 1.00 0.68 N ATOM 501 CA GLN A 38 -2.504 4.354 -13.178 1.00 0.60 C ATOM 502 C GLN A 38 -3.172 4.970 -11.946 1.00 0.44 C ATOM 503 O GLN A 38 -2.494 5.469 -11.048 1.00 0.39 O ATOM 504 CB GLN A 38 -2.225 5.444 -14.218 1.00 0.71 C ATOM 505 CG GLN A 38 -1.188 6.471 -13.783 1.00 1.53 C ATOM 506 CD GLN A 38 0.198 5.876 -13.618 1.00 2.01 C ATOM 507 OE1 GLN A 38 0.564 4.920 -14.302 1.00 2.57 O ATOM 508 NE2 GLN A 38 0.983 6.446 -12.716 1.00 2.58 N ATOM 0 H GLN A 38 -4.259 3.631 -14.070 1.00 0.68 H new ATOM 0 HA GLN A 38 -1.563 3.900 -12.866 1.00 0.60 H new ATOM 0 HB2 GLN A 38 -1.888 4.972 -15.141 1.00 0.71 H new ATOM 0 HB3 GLN A 38 -3.158 5.960 -14.446 1.00 0.71 H new ATOM 0 HG2 GLN A 38 -1.148 7.274 -14.519 1.00 1.53 H new ATOM 0 HG3 GLN A 38 -1.501 6.919 -12.840 1.00 1.53 H new ATOM 0 HE21 GLN A 38 0.642 7.237 -12.169 1.00 2.58 H new ATOM 0 HE22 GLN A 38 1.929 6.094 -12.568 1.00 2.58 H new ATOM 517 N TYR A 39 -4.503 4.930 -11.901 1.00 0.43 N ATOM 518 CA TYR A 39 -5.245 5.569 -10.817 1.00 0.41 C ATOM 519 C TYR A 39 -6.210 4.602 -10.134 1.00 0.34 C ATOM 520 O TYR A 39 -6.797 3.729 -10.774 1.00 0.36 O ATOM 521 CB TYR A 39 -5.978 6.808 -11.338 1.00 0.64 C ATOM 522 CG TYR A 39 -5.024 7.860 -11.856 1.00 0.92 C ATOM 523 CD1 TYR A 39 -4.235 8.592 -10.979 1.00 1.50 C ATOM 524 CD2 TYR A 39 -4.888 8.098 -13.218 1.00 1.31 C ATOM 525 CE1 TYR A 39 -3.334 9.528 -11.441 1.00 2.23 C ATOM 526 CE2 TYR A 39 -3.992 9.041 -13.688 1.00 1.97 C ATOM 527 CZ TYR A 39 -3.216 9.750 -12.796 1.00 2.39 C ATOM 528 OH TYR A 39 -2.309 10.675 -13.258 1.00 3.17 O ATOM 0 H TYR A 39 -5.085 4.465 -12.597 1.00 0.43 H new ATOM 0 HA TYR A 39 -4.526 5.881 -10.059 1.00 0.41 H new ATOM 0 HB2 TYR A 39 -6.661 6.515 -12.135 1.00 0.64 H new ATOM 0 HB3 TYR A 39 -6.585 7.232 -10.538 1.00 0.64 H new ATOM 0 HD1 TYR A 39 -4.329 8.425 -9.916 1.00 1.50 H new ATOM 0 HD2 TYR A 39 -5.490 7.539 -13.919 1.00 1.31 H new ATOM 0 HE1 TYR A 39 -2.724 10.084 -10.745 1.00 2.23 H new ATOM 0 HE2 TYR A 39 -3.901 9.221 -14.749 1.00 1.97 H new ATOM 0 HH TYR A 39 -2.349 10.711 -14.237 1.00 3.17 H new ATOM 538 N LEU A 40 -6.378 4.782 -8.833 1.00 0.31 N ATOM 539 CA LEU A 40 -7.165 3.871 -8.009 1.00 0.28 C ATOM 540 C LEU A 40 -8.173 4.641 -7.154 1.00 0.25 C ATOM 541 O LEU A 40 -7.835 5.653 -6.538 1.00 0.29 O ATOM 542 CB LEU A 40 -6.201 3.042 -7.143 1.00 0.30 C ATOM 543 CG LEU A 40 -6.800 1.844 -6.403 1.00 0.51 C ATOM 544 CD1 LEU A 40 -5.720 0.821 -6.097 1.00 1.21 C ATOM 545 CD2 LEU A 40 -7.467 2.283 -5.114 1.00 1.31 C ATOM 0 H LEU A 40 -5.974 5.563 -8.316 1.00 0.31 H new ATOM 0 HA LEU A 40 -7.743 3.200 -8.644 1.00 0.28 H new ATOM 0 HB2 LEU A 40 -5.396 2.679 -7.782 1.00 0.30 H new ATOM 0 HB3 LEU A 40 -5.749 3.706 -6.406 1.00 0.30 H new ATOM 0 HG LEU A 40 -7.553 1.391 -7.048 1.00 0.51 H new ATOM 0 HD11 LEU A 40 -6.160 -0.026 -5.570 1.00 1.21 H new ATOM 0 HD12 LEU A 40 -5.271 0.476 -7.028 1.00 1.21 H new ATOM 0 HD13 LEU A 40 -4.953 1.278 -5.472 1.00 1.21 H new ATOM 0 HD21 LEU A 40 -7.885 1.414 -4.606 1.00 1.31 H new ATOM 0 HD22 LEU A 40 -6.731 2.761 -4.468 1.00 1.31 H new ATOM 0 HD23 LEU A 40 -8.265 2.990 -5.340 1.00 1.31 H new ATOM 557 N THR A 41 -9.411 4.153 -7.130 1.00 0.24 N ATOM 558 CA THR A 41 -10.477 4.763 -6.343 1.00 0.22 C ATOM 559 C THR A 41 -11.035 3.755 -5.340 1.00 0.19 C ATOM 560 O THR A 41 -11.284 2.597 -5.675 1.00 0.21 O ATOM 561 CB THR A 41 -11.617 5.258 -7.259 1.00 0.27 C ATOM 562 OG1 THR A 41 -11.969 4.237 -8.207 1.00 1.36 O ATOM 563 CG2 THR A 41 -11.209 6.524 -7.996 1.00 1.28 C ATOM 0 H THR A 41 -9.702 3.327 -7.653 1.00 0.24 H new ATOM 0 HA THR A 41 -10.058 5.615 -5.807 1.00 0.22 H new ATOM 0 HB THR A 41 -12.481 5.483 -6.634 1.00 0.27 H new ATOM 0 HG1 THR A 41 -12.694 4.560 -8.782 1.00 1.36 H new ATOM 0 HG21 THR A 41 -12.028 6.853 -8.635 1.00 1.28 H new ATOM 0 HG22 THR A 41 -10.975 7.306 -7.274 1.00 1.28 H new ATOM 0 HG23 THR A 41 -10.330 6.321 -8.608 1.00 1.28 H new ATOM 571 N ALA A 42 -11.237 4.205 -4.119 1.00 0.19 N ATOM 572 CA ALA A 42 -11.718 3.346 -3.046 1.00 0.20 C ATOM 573 C ALA A 42 -13.242 3.356 -2.963 1.00 0.20 C ATOM 574 O ALA A 42 -13.874 4.399 -3.137 1.00 0.27 O ATOM 575 CB ALA A 42 -11.111 3.778 -1.727 1.00 0.26 C ATOM 0 H ALA A 42 -11.074 5.172 -3.839 1.00 0.19 H new ATOM 0 HA ALA A 42 -11.408 2.324 -3.264 1.00 0.20 H new ATOM 0 HB1 ALA A 42 -11.476 3.131 -0.929 1.00 0.26 H new ATOM 0 HB2 ALA A 42 -10.025 3.706 -1.785 1.00 0.26 H new ATOM 0 HB3 ALA A 42 -11.395 4.809 -1.516 1.00 0.26 H new ATOM 581 N ALA A 43 -13.820 2.190 -2.710 1.00 0.20 N ATOM 582 CA ALA A 43 -15.280 2.060 -2.593 1.00 0.29 C ATOM 583 C ALA A 43 -15.659 0.946 -1.614 1.00 0.35 C ATOM 584 O ALA A 43 -15.135 -0.155 -1.698 1.00 0.40 O ATOM 585 CB ALA A 43 -15.889 1.784 -3.961 1.00 0.38 C ATOM 0 H ALA A 43 -13.308 1.317 -2.581 1.00 0.20 H new ATOM 0 HA ALA A 43 -15.675 2.999 -2.206 1.00 0.29 H new ATOM 0 HB1 ALA A 43 -16.971 1.689 -3.865 1.00 0.38 H new ATOM 0 HB2 ALA A 43 -15.655 2.607 -4.636 1.00 0.38 H new ATOM 0 HB3 ALA A 43 -15.478 0.858 -4.362 1.00 0.38 H new ATOM 591 N ALA A 44 -16.600 1.240 -0.715 1.00 0.63 N ATOM 592 CA ALA A 44 -16.995 0.330 0.358 1.00 0.65 C ATOM 593 C ALA A 44 -17.480 -1.024 -0.145 1.00 0.46 C ATOM 594 O ALA A 44 -18.395 -1.118 -0.962 1.00 0.79 O ATOM 595 CB ALA A 44 -18.085 0.978 1.199 1.00 1.13 C ATOM 0 H ALA A 44 -17.112 2.122 -0.712 1.00 0.63 H new ATOM 0 HA ALA A 44 -16.103 0.143 0.955 1.00 0.65 H new ATOM 0 HB1 ALA A 44 -18.379 0.299 1.999 1.00 1.13 H new ATOM 0 HB2 ALA A 44 -17.709 1.906 1.630 1.00 1.13 H new ATOM 0 HB3 ALA A 44 -18.949 1.194 0.571 1.00 1.13 H new ATOM 601 N LEU A 45 -16.828 -2.062 0.360 1.00 0.47 N ATOM 602 CA LEU A 45 -17.196 -3.443 0.133 1.00 0.66 C ATOM 603 C LEU A 45 -18.462 -3.827 0.902 1.00 0.62 C ATOM 604 O LEU A 45 -18.820 -3.202 1.904 1.00 0.88 O ATOM 605 CB LEU A 45 -16.036 -4.353 0.559 1.00 1.23 C ATOM 606 CG LEU A 45 -15.894 -4.632 2.070 1.00 2.25 C ATOM 607 CD1 LEU A 45 -14.607 -5.381 2.335 1.00 2.87 C ATOM 608 CD2 LEU A 45 -15.921 -3.357 2.904 1.00 2.93 C ATOM 0 H LEU A 45 -16.006 -1.958 0.955 1.00 0.47 H new ATOM 0 HA LEU A 45 -17.403 -3.568 -0.930 1.00 0.66 H new ATOM 0 HB2 LEU A 45 -16.146 -5.308 0.045 1.00 1.23 H new ATOM 0 HB3 LEU A 45 -15.106 -3.907 0.206 1.00 1.23 H new ATOM 0 HG LEU A 45 -16.751 -5.236 2.367 1.00 2.25 H new ATOM 0 HD11 LEU A 45 -14.512 -5.575 3.403 1.00 2.87 H new ATOM 0 HD12 LEU A 45 -14.619 -6.327 1.794 1.00 2.87 H new ATOM 0 HD13 LEU A 45 -13.761 -4.781 1.999 1.00 2.87 H new ATOM 0 HD21 LEU A 45 -15.818 -3.610 3.959 1.00 2.93 H new ATOM 0 HD22 LEU A 45 -15.098 -2.709 2.604 1.00 2.93 H new ATOM 0 HD23 LEU A 45 -16.867 -2.839 2.746 1.00 2.93 H new ATOM 620 N HIS A 46 -19.147 -4.831 0.399 1.00 0.61 N ATOM 621 CA HIS A 46 -20.218 -5.479 1.139 1.00 0.80 C ATOM 622 C HIS A 46 -20.148 -6.986 0.893 1.00 0.76 C ATOM 623 O HIS A 46 -20.675 -7.779 1.669 1.00 0.94 O ATOM 624 CB HIS A 46 -21.591 -4.922 0.734 1.00 1.06 C ATOM 625 CG HIS A 46 -22.741 -5.565 1.460 1.00 1.87 C ATOM 626 ND1 HIS A 46 -23.147 -5.194 2.725 1.00 2.69 N ATOM 627 CD2 HIS A 46 -23.556 -6.581 1.094 1.00 2.79 C ATOM 628 CE1 HIS A 46 -24.157 -5.957 3.102 1.00 3.63 C ATOM 629 NE2 HIS A 46 -24.426 -6.808 2.131 1.00 3.71 N ATOM 0 H HIS A 46 -18.982 -5.222 -0.528 1.00 0.61 H new ATOM 0 HA HIS A 46 -20.091 -5.277 2.202 1.00 0.80 H new ATOM 0 HB2 HIS A 46 -21.608 -3.849 0.923 1.00 1.06 H new ATOM 0 HB3 HIS A 46 -21.727 -5.059 -0.339 1.00 1.06 H new ATOM 0 HD2 HIS A 46 -23.527 -7.116 0.156 1.00 2.79 H new ATOM 0 HE1 HIS A 46 -24.676 -5.895 4.047 1.00 3.63 H new ATOM 0 HE2 HIS A 46 -25.159 -7.517 2.148 1.00 3.71 H new ATOM 638 N ASN A 47 -19.452 -7.371 -0.171 1.00 0.66 N ATOM 639 CA ASN A 47 -19.129 -8.773 -0.422 1.00 0.71 C ATOM 640 C ASN A 47 -17.794 -9.096 0.222 1.00 0.76 C ATOM 641 O ASN A 47 -17.330 -10.238 0.205 1.00 0.88 O ATOM 642 CB ASN A 47 -18.990 -9.017 -1.919 1.00 0.74 C ATOM 643 CG ASN A 47 -18.978 -10.485 -2.289 1.00 1.42 C ATOM 644 OD1 ASN A 47 -19.596 -11.316 -1.621 1.00 2.21 O ATOM 645 ND2 ASN A 47 -18.268 -10.811 -3.357 1.00 1.94 N ATOM 0 H ASN A 47 -19.098 -6.728 -0.879 1.00 0.66 H new ATOM 0 HA ASN A 47 -19.924 -9.395 -0.012 1.00 0.71 H new ATOM 0 HB2 ASN A 47 -19.813 -8.526 -2.438 1.00 0.74 H new ATOM 0 HB3 ASN A 47 -18.069 -8.553 -2.271 1.00 0.74 H new ATOM 0 HD21 ASN A 47 -18.216 -11.784 -3.657 1.00 1.94 H new ATOM 0 HD22 ASN A 47 -17.772 -10.089 -3.880 1.00 1.94 H new ATOM 652 N LEU A 48 -17.207 -8.068 0.820 1.00 0.77 N ATOM 653 CA LEU A 48 -15.833 -8.095 1.283 1.00 0.89 C ATOM 654 C LEU A 48 -14.861 -8.177 0.101 1.00 0.81 C ATOM 655 O LEU A 48 -14.144 -7.220 -0.165 1.00 0.78 O ATOM 656 CB LEU A 48 -15.624 -9.206 2.312 1.00 1.15 C ATOM 657 CG LEU A 48 -16.322 -8.941 3.651 1.00 1.37 C ATOM 658 CD1 LEU A 48 -16.537 -10.230 4.424 1.00 1.71 C ATOM 659 CD2 LEU A 48 -15.514 -7.963 4.489 1.00 1.66 C ATOM 0 H LEU A 48 -17.681 -7.182 0.998 1.00 0.77 H new ATOM 0 HA LEU A 48 -15.616 -7.158 1.796 1.00 0.89 H new ATOM 0 HB2 LEU A 48 -15.992 -10.146 1.900 1.00 1.15 H new ATOM 0 HB3 LEU A 48 -14.555 -9.331 2.487 1.00 1.15 H new ATOM 0 HG LEU A 48 -17.297 -8.504 3.435 1.00 1.37 H new ATOM 0 HD11 LEU A 48 -17.034 -10.009 5.369 1.00 1.71 H new ATOM 0 HD12 LEU A 48 -17.158 -10.907 3.837 1.00 1.71 H new ATOM 0 HD13 LEU A 48 -15.574 -10.701 4.622 1.00 1.71 H new ATOM 0 HD21 LEU A 48 -16.025 -7.787 5.436 1.00 1.66 H new ATOM 0 HD22 LEU A 48 -14.525 -8.379 4.682 1.00 1.66 H new ATOM 0 HD23 LEU A 48 -15.412 -7.021 3.951 1.00 1.66 H new ATOM 671 N ASP A 49 -14.861 -9.272 -0.639 1.00 0.83 N ATOM 672 CA ASP A 49 -13.973 -9.393 -1.800 1.00 0.83 C ATOM 673 C ASP A 49 -14.555 -8.660 -3.015 1.00 0.75 C ATOM 674 O ASP A 49 -15.298 -9.217 -3.817 1.00 0.83 O ATOM 675 CB ASP A 49 -13.653 -10.867 -2.133 1.00 1.00 C ATOM 676 CG ASP A 49 -14.843 -11.682 -2.617 1.00 1.20 C ATOM 677 OD1 ASP A 49 -15.666 -12.103 -1.780 1.00 1.87 O ATOM 678 OD2 ASP A 49 -14.940 -11.932 -3.838 1.00 1.53 O ATOM 0 H ASP A 49 -15.454 -10.084 -0.467 1.00 0.83 H new ATOM 0 HA ASP A 49 -13.029 -8.915 -1.538 1.00 0.83 H new ATOM 0 HB2 ASP A 49 -12.877 -10.892 -2.898 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -13.240 -11.345 -1.245 1.00 1.00 H new ATOM 683 N GLU A 50 -14.226 -7.383 -3.122 1.00 0.66 N ATOM 684 CA GLU A 50 -14.703 -6.547 -4.223 1.00 0.72 C ATOM 685 C GLU A 50 -13.608 -5.592 -4.666 1.00 0.62 C ATOM 686 O GLU A 50 -13.546 -5.192 -5.828 1.00 0.68 O ATOM 687 CB GLU A 50 -15.950 -5.756 -3.816 1.00 0.94 C ATOM 688 CG GLU A 50 -17.170 -6.627 -3.588 1.00 1.25 C ATOM 689 CD GLU A 50 -18.410 -5.830 -3.257 1.00 1.93 C ATOM 690 OE1 GLU A 50 -19.109 -5.394 -4.195 1.00 2.35 O ATOM 691 OE2 GLU A 50 -18.704 -5.649 -2.060 1.00 2.66 O ATOM 0 H GLU A 50 -13.626 -6.895 -2.457 1.00 0.66 H new ATOM 0 HA GLU A 50 -14.969 -7.202 -5.053 1.00 0.72 H new ATOM 0 HB2 GLU A 50 -15.736 -5.199 -2.904 1.00 0.94 H new ATOM 0 HB3 GLU A 50 -16.176 -5.024 -4.591 1.00 0.94 H new ATOM 0 HG2 GLU A 50 -17.356 -7.224 -4.481 1.00 1.25 H new ATOM 0 HG3 GLU A 50 -16.965 -7.324 -2.776 1.00 1.25 H new ATOM 698 N ALA A 51 -12.734 -5.246 -3.737 1.00 0.52 N ATOM 699 CA ALA A 51 -11.572 -4.430 -4.054 1.00 0.43 C ATOM 700 C ALA A 51 -10.463 -5.263 -4.651 1.00 0.32 C ATOM 701 O ALA A 51 -10.454 -6.493 -4.538 1.00 0.33 O ATOM 702 CB ALA A 51 -11.027 -3.761 -2.819 1.00 0.50 C ATOM 0 H ALA A 51 -12.806 -5.517 -2.756 1.00 0.52 H new ATOM 0 HA ALA A 51 -11.905 -3.682 -4.773 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -10.159 -3.158 -3.085 1.00 0.50 H new ATOM 0 HB2 ALA A 51 -11.794 -3.121 -2.383 1.00 0.50 H new ATOM 0 HB3 ALA A 51 -10.733 -4.520 -2.094 1.00 0.50 H new ATOM 708 N VAL A 52 -9.534 -4.578 -5.287 1.00 0.28 N ATOM 709 CA VAL A 52 -8.332 -5.210 -5.769 1.00 0.26 C ATOM 710 C VAL A 52 -7.464 -5.568 -4.581 1.00 0.22 C ATOM 711 O VAL A 52 -7.265 -4.777 -3.656 1.00 0.23 O ATOM 712 CB VAL A 52 -7.544 -4.352 -6.782 1.00 0.29 C ATOM 713 CG1 VAL A 52 -8.368 -4.144 -8.041 1.00 0.38 C ATOM 714 CG2 VAL A 52 -7.131 -3.016 -6.184 1.00 0.31 C ATOM 0 H VAL A 52 -9.593 -3.578 -5.481 1.00 0.28 H new ATOM 0 HA VAL A 52 -8.627 -6.106 -6.316 1.00 0.26 H new ATOM 0 HB VAL A 52 -6.631 -4.889 -7.040 1.00 0.29 H new ATOM 0 HG11 VAL A 52 -7.803 -3.538 -8.749 1.00 0.38 H new ATOM 0 HG12 VAL A 52 -8.595 -5.110 -8.491 1.00 0.38 H new ATOM 0 HG13 VAL A 52 -9.298 -3.634 -7.787 1.00 0.38 H new ATOM 0 HG21 VAL A 52 -6.579 -2.440 -6.927 1.00 0.31 H new ATOM 0 HG22 VAL A 52 -8.020 -2.462 -5.883 1.00 0.31 H new ATOM 0 HG23 VAL A 52 -6.498 -3.187 -5.313 1.00 0.31 H new ATOM 724 N LYS A 53 -6.994 -6.780 -4.612 1.00 0.22 N ATOM 725 CA LYS A 53 -6.389 -7.426 -3.460 1.00 0.22 C ATOM 726 C LYS A 53 -4.905 -7.250 -3.495 1.00 0.18 C ATOM 727 O LYS A 53 -4.264 -7.471 -4.513 1.00 0.24 O ATOM 728 CB LYS A 53 -6.761 -8.908 -3.473 1.00 0.35 C ATOM 729 CG LYS A 53 -8.260 -9.125 -3.582 1.00 0.78 C ATOM 730 CD LYS A 53 -8.616 -10.570 -3.878 1.00 1.12 C ATOM 731 CE LYS A 53 -10.111 -10.723 -4.109 1.00 1.37 C ATOM 732 NZ LYS A 53 -10.597 -9.833 -5.201 1.00 1.59 N ATOM 0 H LYS A 53 -7.015 -7.366 -5.447 1.00 0.22 H new ATOM 0 HA LYS A 53 -6.760 -6.972 -2.541 1.00 0.22 H new ATOM 0 HB2 LYS A 53 -6.263 -9.398 -4.310 1.00 0.35 H new ATOM 0 HB3 LYS A 53 -6.393 -9.381 -2.562 1.00 0.35 H new ATOM 0 HG2 LYS A 53 -8.737 -8.820 -2.651 1.00 0.78 H new ATOM 0 HG3 LYS A 53 -8.660 -8.487 -4.369 1.00 0.78 H new ATOM 0 HD2 LYS A 53 -8.071 -10.910 -4.759 1.00 1.12 H new ATOM 0 HD3 LYS A 53 -8.306 -11.203 -3.047 1.00 1.12 H new ATOM 0 HE2 LYS A 53 -10.336 -11.760 -4.358 1.00 1.37 H new ATOM 0 HE3 LYS A 53 -10.646 -10.493 -3.188 1.00 1.37 H new ATOM 0 HZ1 LYS A 53 -11.498 -10.198 -5.571 1.00 1.59 H new ATOM 0 HZ2 LYS A 53 -10.739 -8.872 -4.829 1.00 1.59 H new ATOM 0 HZ3 LYS A 53 -9.893 -9.807 -5.966 1.00 1.59 H new ATOM 746 N PHE A 54 -4.373 -6.823 -2.370 1.00 0.18 N ATOM 747 CA PHE A 54 -2.993 -6.514 -2.267 1.00 0.19 C ATOM 748 C PHE A 54 -2.260 -7.686 -1.668 1.00 0.20 C ATOM 749 O PHE A 54 -2.863 -8.604 -1.104 1.00 0.23 O ATOM 750 CB PHE A 54 -2.806 -5.302 -1.346 1.00 0.25 C ATOM 751 CG PHE A 54 -2.853 -5.669 0.118 1.00 1.22 C ATOM 752 CD1 PHE A 54 -4.002 -6.207 0.681 1.00 1.57 C ATOM 753 CD2 PHE A 54 -1.737 -5.500 0.922 1.00 1.95 C ATOM 754 CE1 PHE A 54 -4.033 -6.569 2.014 1.00 2.60 C ATOM 755 CE2 PHE A 54 -1.767 -5.855 2.257 1.00 2.98 C ATOM 756 CZ PHE A 54 -2.913 -6.390 2.802 1.00 3.31 C ATOM 0 H PHE A 54 -4.900 -6.685 -1.508 1.00 0.18 H new ATOM 0 HA PHE A 54 -2.602 -6.293 -3.260 1.00 0.19 H new ATOM 0 HB2 PHE A 54 -1.850 -4.827 -1.567 1.00 0.25 H new ATOM 0 HB3 PHE A 54 -3.583 -4.567 -1.557 1.00 0.25 H new ATOM 0 HD1 PHE A 54 -4.882 -6.344 0.070 1.00 1.57 H new ATOM 0 HD2 PHE A 54 -0.833 -5.086 0.500 1.00 1.95 H new ATOM 0 HE1 PHE A 54 -4.932 -6.991 2.439 1.00 2.60 H new ATOM 0 HE2 PHE A 54 -0.892 -5.713 2.873 1.00 2.98 H new ATOM 0 HZ PHE A 54 -2.936 -6.669 3.845 1.00 3.31 H new ATOM 766 N ASP A 55 -0.967 -7.625 -1.778 1.00 0.21 N ATOM 767 CA ASP A 55 -0.109 -8.562 -1.096 1.00 0.22 C ATOM 768 C ASP A 55 1.055 -7.788 -0.529 1.00 0.23 C ATOM 769 O ASP A 55 1.732 -7.038 -1.238 1.00 0.27 O ATOM 770 CB ASP A 55 0.418 -9.640 -2.054 1.00 0.24 C ATOM 771 CG ASP A 55 -0.604 -10.091 -3.079 1.00 1.33 C ATOM 772 OD1 ASP A 55 -1.494 -10.895 -2.749 1.00 1.89 O ATOM 773 OD2 ASP A 55 -0.499 -9.660 -4.235 1.00 1.93 O ATOM 0 H ASP A 55 -0.474 -6.930 -2.339 1.00 0.21 H new ATOM 0 HA ASP A 55 -0.675 -9.064 -0.311 1.00 0.22 H new ATOM 0 HB2 ASP A 55 1.296 -9.256 -2.573 1.00 0.24 H new ATOM 0 HB3 ASP A 55 0.744 -10.503 -1.473 1.00 0.24 H new ATOM 778 N MET A 56 1.264 -7.966 0.757 1.00 0.24 N ATOM 779 CA MET A 56 2.259 -7.234 1.489 1.00 0.25 C ATOM 780 C MET A 56 3.401 -8.146 1.884 1.00 0.25 C ATOM 781 O MET A 56 3.193 -9.259 2.362 1.00 0.30 O ATOM 782 CB MET A 56 1.606 -6.606 2.721 1.00 0.33 C ATOM 783 CG MET A 56 2.561 -5.850 3.621 1.00 0.97 C ATOM 784 SD MET A 56 1.713 -4.997 4.966 1.00 1.19 S ATOM 785 CE MET A 56 0.727 -6.323 5.651 1.00 1.85 C ATOM 0 H MET A 56 0.739 -8.631 1.325 1.00 0.24 H new ATOM 0 HA MET A 56 2.671 -6.444 0.862 1.00 0.25 H new ATOM 0 HB2 MET A 56 0.820 -5.926 2.393 1.00 0.33 H new ATOM 0 HB3 MET A 56 1.125 -7.392 3.302 1.00 0.33 H new ATOM 0 HG2 MET A 56 3.290 -6.545 4.038 1.00 0.97 H new ATOM 0 HG3 MET A 56 3.117 -5.124 3.028 1.00 0.97 H new ATOM 0 HE1 MET A 56 -0.322 -6.163 5.401 1.00 1.85 H new ATOM 0 HE2 MET A 56 1.058 -7.275 5.236 1.00 1.85 H new ATOM 0 HE3 MET A 56 0.843 -6.340 6.735 1.00 1.85 H new ATOM 795 N GLY A 57 4.601 -7.672 1.667 1.00 0.26 N ATOM 796 CA GLY A 57 5.775 -8.377 2.083 1.00 0.32 C ATOM 797 C GLY A 57 6.764 -7.390 2.622 1.00 0.31 C ATOM 798 O GLY A 57 7.024 -6.388 1.970 1.00 0.35 O ATOM 0 H GLY A 57 4.786 -6.786 1.197 1.00 0.26 H new ATOM 0 HA2 GLY A 57 5.523 -9.114 2.846 1.00 0.32 H new ATOM 0 HA3 GLY A 57 6.205 -8.922 1.243 1.00 0.32 H new ATOM 802 N ALA A 58 7.307 -7.618 3.789 1.00 0.37 N ATOM 803 CA ALA A 58 8.159 -6.612 4.379 1.00 0.38 C ATOM 804 C ALA A 58 9.563 -6.788 3.857 1.00 0.42 C ATOM 805 O ALA A 58 9.987 -7.898 3.570 1.00 0.61 O ATOM 806 CB ALA A 58 8.136 -6.705 5.898 1.00 0.51 C ATOM 0 H ALA A 58 7.182 -8.467 4.340 1.00 0.37 H new ATOM 0 HA ALA A 58 7.791 -5.624 4.104 1.00 0.38 H new ATOM 0 HB1 ALA A 58 8.785 -5.937 6.319 1.00 0.51 H new ATOM 0 HB2 ALA A 58 7.117 -6.556 6.256 1.00 0.51 H new ATOM 0 HB3 ALA A 58 8.489 -7.689 6.208 1.00 0.51 H new ATOM 812 N TYR A 59 10.273 -5.705 3.682 1.00 0.45 N ATOM 813 CA TYR A 59 11.667 -5.818 3.295 1.00 0.61 C ATOM 814 C TYR A 59 12.533 -5.035 4.254 1.00 0.72 C ATOM 815 O TYR A 59 12.075 -4.100 4.906 1.00 0.81 O ATOM 816 CB TYR A 59 11.912 -5.445 1.826 1.00 0.93 C ATOM 817 CG TYR A 59 11.613 -4.021 1.438 1.00 1.64 C ATOM 818 CD1 TYR A 59 12.598 -3.050 1.508 1.00 2.54 C ATOM 819 CD2 TYR A 59 10.363 -3.658 0.958 1.00 2.01 C ATOM 820 CE1 TYR A 59 12.347 -1.755 1.116 1.00 3.70 C ATOM 821 CE2 TYR A 59 10.107 -2.364 0.555 1.00 3.08 C ATOM 822 CZ TYR A 59 11.104 -1.417 0.640 1.00 3.92 C ATOM 823 OH TYR A 59 10.863 -0.128 0.239 1.00 5.11 O ATOM 0 H TYR A 59 9.926 -4.753 3.796 1.00 0.45 H new ATOM 0 HA TYR A 59 11.952 -6.868 3.364 1.00 0.61 H new ATOM 0 HB2 TYR A 59 12.956 -5.651 1.591 1.00 0.93 H new ATOM 0 HB3 TYR A 59 11.308 -6.103 1.201 1.00 0.93 H new ATOM 0 HD1 TYR A 59 13.579 -3.313 1.876 1.00 2.54 H new ATOM 0 HD2 TYR A 59 9.579 -4.399 0.899 1.00 2.01 H new ATOM 0 HE1 TYR A 59 13.124 -1.008 1.182 1.00 3.70 H new ATOM 0 HE2 TYR A 59 9.132 -2.095 0.176 1.00 3.08 H new ATOM 0 HH TYR A 59 10.189 -0.127 -0.472 1.00 5.11 H new ATOM 833 N LYS A 60 13.779 -5.440 4.354 1.00 0.92 N ATOM 834 CA LYS A 60 14.555 -5.148 5.536 1.00 1.13 C ATOM 835 C LYS A 60 15.956 -4.610 5.263 1.00 1.50 C ATOM 836 O LYS A 60 16.755 -5.227 4.568 1.00 1.77 O ATOM 837 CB LYS A 60 14.687 -6.448 6.310 1.00 1.30 C ATOM 838 CG LYS A 60 15.063 -6.239 7.769 1.00 1.66 C ATOM 839 CD LYS A 60 13.999 -5.417 8.487 1.00 2.14 C ATOM 840 CE LYS A 60 14.475 -4.907 9.838 1.00 2.79 C ATOM 841 NZ LYS A 60 15.585 -3.928 9.701 1.00 3.47 N ATOM 0 H LYS A 60 14.273 -5.969 3.636 1.00 0.92 H new ATOM 0 HA LYS A 60 14.033 -4.361 6.080 1.00 1.13 H new ATOM 0 HB2 LYS A 60 13.744 -6.992 6.259 1.00 1.30 H new ATOM 0 HB3 LYS A 60 15.442 -7.073 5.833 1.00 1.30 H new ATOM 0 HG2 LYS A 60 15.178 -7.204 8.262 1.00 1.66 H new ATOM 0 HG3 LYS A 60 16.026 -5.732 7.833 1.00 1.66 H new ATOM 0 HD2 LYS A 60 13.714 -4.571 7.862 1.00 2.14 H new ATOM 0 HD3 LYS A 60 13.106 -6.026 8.626 1.00 2.14 H new ATOM 0 HE2 LYS A 60 13.642 -4.440 10.364 1.00 2.79 H new ATOM 0 HE3 LYS A 60 14.806 -5.748 10.448 1.00 2.79 H new ATOM 0 HZ1 LYS A 60 15.540 -3.241 10.481 1.00 3.47 H new ATOM 0 HZ2 LYS A 60 16.496 -4.429 9.733 1.00 3.47 H new ATOM 0 HZ3 LYS A 60 15.497 -3.428 8.794 1.00 3.47 H new ATOM 855 N SER A 61 16.239 -3.458 5.833 1.00 1.67 N ATOM 856 CA SER A 61 17.602 -3.002 6.032 1.00 2.15 C ATOM 857 C SER A 61 17.658 -2.352 7.398 1.00 2.02 C ATOM 858 O SER A 61 16.617 -1.974 7.929 1.00 1.72 O ATOM 859 CB SER A 61 18.013 -2.003 4.951 1.00 2.67 C ATOM 860 OG SER A 61 17.156 -0.873 4.949 1.00 3.06 O ATOM 0 H SER A 61 15.530 -2.808 6.173 1.00 1.67 H new ATOM 0 HA SER A 61 18.294 -3.842 5.969 1.00 2.15 H new ATOM 0 HB2 SER A 61 19.041 -1.683 5.119 1.00 2.67 H new ATOM 0 HB3 SER A 61 17.985 -2.487 3.975 1.00 2.67 H new ATOM 0 HG SER A 61 17.166 -0.456 4.062 1.00 3.06 H new ATOM 866 N SER A 62 18.826 -2.247 8.004 1.00 2.37 N ATOM 867 CA SER A 62 18.920 -1.471 9.226 1.00 2.25 C ATOM 868 C SER A 62 19.276 -0.031 8.884 1.00 2.37 C ATOM 869 O SER A 62 20.127 0.588 9.525 1.00 2.59 O ATOM 870 CB SER A 62 19.971 -2.081 10.151 1.00 2.65 C ATOM 871 OG SER A 62 19.712 -3.458 10.373 1.00 2.99 O ATOM 0 H SER A 62 19.696 -2.673 7.684 1.00 2.37 H new ATOM 0 HA SER A 62 17.960 -1.484 9.743 1.00 2.25 H new ATOM 0 HB2 SER A 62 20.962 -1.959 9.713 1.00 2.65 H new ATOM 0 HB3 SER A 62 19.976 -1.550 11.103 1.00 2.65 H new ATOM 0 HG SER A 62 20.398 -3.828 10.967 1.00 2.99 H new ATOM 877 N LYS A 63 18.623 0.489 7.853 1.00 2.37 N ATOM 878 CA LYS A 63 18.742 1.886 7.490 1.00 2.64 C ATOM 879 C LYS A 63 17.362 2.536 7.417 1.00 2.48 C ATOM 880 O LYS A 63 17.123 3.408 6.581 1.00 2.87 O ATOM 881 CB LYS A 63 19.517 2.027 6.169 1.00 3.20 C ATOM 882 CG LYS A 63 19.812 3.465 5.742 1.00 3.62 C ATOM 883 CD LYS A 63 20.370 4.308 6.882 1.00 4.18 C ATOM 884 CE LYS A 63 21.737 3.830 7.338 1.00 4.77 C ATOM 885 NZ LYS A 63 22.282 4.690 8.423 1.00 5.27 N ATOM 0 H LYS A 63 17.999 -0.047 7.250 1.00 2.37 H new ATOM 0 HA LYS A 63 19.308 2.411 8.260 1.00 2.64 H new ATOM 0 HB2 LYS A 63 20.461 1.490 6.260 1.00 3.20 H new ATOM 0 HB3 LYS A 63 18.948 1.539 5.378 1.00 3.20 H new ATOM 0 HG2 LYS A 63 20.525 3.457 4.917 1.00 3.62 H new ATOM 0 HG3 LYS A 63 18.897 3.925 5.368 1.00 3.62 H new ATOM 0 HD2 LYS A 63 20.440 5.348 6.562 1.00 4.18 H new ATOM 0 HD3 LYS A 63 19.678 4.280 7.724 1.00 4.18 H new ATOM 0 HE2 LYS A 63 21.665 2.801 7.690 1.00 4.77 H new ATOM 0 HE3 LYS A 63 22.424 3.830 6.492 1.00 4.77 H new ATOM 0 HZ1 LYS A 63 23.216 4.335 8.711 1.00 5.27 H new ATOM 0 HZ2 LYS A 63 22.373 5.667 8.079 1.00 5.27 H new ATOM 0 HZ3 LYS A 63 21.638 4.669 9.239 1.00 5.27 H new ATOM 899 N ASP A 64 16.431 2.109 8.262 1.00 2.02 N ATOM 900 CA ASP A 64 15.125 2.749 8.256 1.00 2.02 C ATOM 901 C ASP A 64 15.236 4.067 9.021 1.00 2.36 C ATOM 902 O ASP A 64 16.121 4.882 8.753 1.00 2.81 O ATOM 903 CB ASP A 64 14.098 1.847 8.964 1.00 1.53 C ATOM 904 CG ASP A 64 14.540 0.400 9.116 1.00 1.63 C ATOM 905 OD1 ASP A 64 15.400 0.132 9.991 1.00 1.89 O ATOM 906 OD2 ASP A 64 14.011 -0.475 8.404 1.00 1.88 O ATOM 0 H ASP A 64 16.549 1.352 8.935 1.00 2.02 H new ATOM 0 HA ASP A 64 14.802 2.923 7.230 1.00 2.02 H new ATOM 0 HB2 ASP A 64 13.891 2.258 9.952 1.00 1.53 H new ATOM 0 HB3 ASP A 64 13.162 1.873 8.405 1.00 1.53 H new ATOM 911 N ASP A 65 14.346 4.289 9.966 1.00 2.27 N ATOM 912 CA ASP A 65 14.643 5.093 11.138 1.00 2.65 C ATOM 913 C ASP A 65 14.234 4.322 12.384 1.00 2.35 C ATOM 914 O ASP A 65 15.050 3.682 13.048 1.00 2.28 O ATOM 915 CB ASP A 65 13.984 6.472 11.070 1.00 3.22 C ATOM 916 CG ASP A 65 12.575 6.428 10.532 1.00 3.59 C ATOM 917 OD1 ASP A 65 12.409 6.372 9.300 1.00 4.06 O ATOM 918 OD2 ASP A 65 11.626 6.458 11.339 1.00 3.75 O ATOM 0 H ASP A 65 13.396 3.918 9.945 1.00 2.27 H new ATOM 0 HA ASP A 65 15.716 5.282 11.177 1.00 2.65 H new ATOM 0 HB2 ASP A 65 13.972 6.912 12.067 1.00 3.22 H new ATOM 0 HB3 ASP A 65 14.587 7.126 10.440 1.00 3.22 H new ATOM 923 N ALA A 66 12.934 4.385 12.664 1.00 2.40 N ATOM 924 CA ALA A 66 12.292 3.579 13.686 1.00 2.34 C ATOM 925 C ALA A 66 11.066 2.888 13.097 1.00 2.24 C ATOM 926 O ALA A 66 10.178 2.439 13.824 1.00 2.63 O ATOM 927 CB ALA A 66 11.900 4.444 14.873 1.00 2.98 C ATOM 0 H ALA A 66 12.292 5.009 12.176 1.00 2.40 H new ATOM 0 HA ALA A 66 12.992 2.820 14.036 1.00 2.34 H new ATOM 0 HB1 ALA A 66 11.420 3.825 15.631 1.00 2.98 H new ATOM 0 HB2 ALA A 66 12.791 4.908 15.295 1.00 2.98 H new ATOM 0 HB3 ALA A 66 11.208 5.219 14.545 1.00 2.98 H new ATOM 933 N LYS A 67 11.029 2.794 11.771 1.00 1.96 N ATOM 934 CA LYS A 67 9.838 2.335 11.064 1.00 1.89 C ATOM 935 C LYS A 67 10.217 1.520 9.831 1.00 1.44 C ATOM 936 O LYS A 67 11.179 1.829 9.138 1.00 1.95 O ATOM 937 CB LYS A 67 8.928 3.514 10.685 1.00 2.82 C ATOM 938 CG LYS A 67 9.537 4.535 9.732 1.00 3.45 C ATOM 939 CD LYS A 67 8.502 5.583 9.332 1.00 4.32 C ATOM 940 CE LYS A 67 9.077 6.648 8.406 1.00 5.01 C ATOM 941 NZ LYS A 67 10.091 7.489 9.091 1.00 5.31 N ATOM 0 H LYS A 67 11.813 3.031 11.163 1.00 1.96 H new ATOM 0 HA LYS A 67 9.279 1.687 11.739 1.00 1.89 H new ATOM 0 HB2 LYS A 67 8.019 3.118 10.232 1.00 2.82 H new ATOM 0 HB3 LYS A 67 8.630 4.029 11.599 1.00 2.82 H new ATOM 0 HG2 LYS A 67 10.389 5.021 10.207 1.00 3.45 H new ATOM 0 HG3 LYS A 67 9.914 4.030 8.842 1.00 3.45 H new ATOM 0 HD2 LYS A 67 7.664 5.091 8.838 1.00 4.32 H new ATOM 0 HD3 LYS A 67 8.108 6.061 10.229 1.00 4.32 H new ATOM 0 HE2 LYS A 67 9.530 6.168 7.538 1.00 5.01 H new ATOM 0 HE3 LYS A 67 8.271 7.281 8.036 1.00 5.01 H new ATOM 0 HZ1 LYS A 67 9.985 8.478 8.786 1.00 5.31 H new ATOM 0 HZ2 LYS A 67 9.955 7.428 10.120 1.00 5.31 H new ATOM 0 HZ3 LYS A 67 11.044 7.152 8.847 1.00 5.31 H new ATOM 955 N ILE A 68 9.416 0.501 9.565 1.00 0.88 N ATOM 956 CA ILE A 68 9.778 -0.598 8.691 1.00 0.76 C ATOM 957 C ILE A 68 8.918 -0.587 7.466 1.00 0.43 C ATOM 958 O ILE A 68 7.780 -0.110 7.496 1.00 0.37 O ATOM 959 CB ILE A 68 9.640 -1.970 9.376 1.00 0.97 C ATOM 960 CG1 ILE A 68 8.262 -2.107 10.037 1.00 1.07 C ATOM 961 CG2 ILE A 68 10.754 -2.171 10.393 1.00 1.51 C ATOM 962 CD1 ILE A 68 8.015 -3.464 10.660 1.00 1.66 C ATOM 0 H ILE A 68 8.479 0.415 9.959 1.00 0.88 H new ATOM 0 HA ILE A 68 10.826 -0.454 8.428 1.00 0.76 H new ATOM 0 HB ILE A 68 9.729 -2.747 8.617 1.00 0.97 H new ATOM 0 HG12 ILE A 68 8.160 -1.341 10.806 1.00 1.07 H new ATOM 0 HG13 ILE A 68 7.491 -1.914 9.291 1.00 1.07 H new ATOM 0 HG21 ILE A 68 10.642 -3.146 10.868 1.00 1.51 H new ATOM 0 HG22 ILE A 68 11.720 -2.122 9.890 1.00 1.51 H new ATOM 0 HG23 ILE A 68 10.700 -1.390 11.151 1.00 1.51 H new ATOM 0 HD11 ILE A 68 7.021 -3.484 11.107 1.00 1.66 H new ATOM 0 HD12 ILE A 68 8.083 -4.235 9.892 1.00 1.66 H new ATOM 0 HD13 ILE A 68 8.763 -3.652 11.430 1.00 1.66 H new ATOM 974 N THR A 69 9.456 -1.111 6.394 1.00 0.47 N ATOM 975 CA THR A 69 8.815 -0.983 5.125 1.00 0.38 C ATOM 976 C THR A 69 8.256 -2.312 4.644 1.00 0.34 C ATOM 977 O THR A 69 8.892 -3.365 4.749 1.00 0.46 O ATOM 978 CB THR A 69 9.774 -0.405 4.080 1.00 0.55 C ATOM 979 OG1 THR A 69 9.207 -0.563 2.782 1.00 1.50 O ATOM 980 CG2 THR A 69 11.137 -1.073 4.148 1.00 1.23 C ATOM 0 H THR A 69 10.335 -1.628 6.382 1.00 0.47 H new ATOM 0 HA THR A 69 7.982 -0.292 5.254 1.00 0.38 H new ATOM 0 HB THR A 69 9.919 0.655 4.290 1.00 0.55 H new ATOM 0 HG1 THR A 69 9.775 -1.156 2.247 1.00 1.50 H new ATOM 0 HG21 THR A 69 11.793 -0.639 3.393 1.00 1.23 H new ATOM 0 HG22 THR A 69 11.569 -0.918 5.137 1.00 1.23 H new ATOM 0 HG23 THR A 69 11.028 -2.142 3.963 1.00 1.23 H new ATOM 988 N VAL A 70 7.048 -2.235 4.129 1.00 0.27 N ATOM 989 CA VAL A 70 6.349 -3.371 3.578 1.00 0.28 C ATOM 990 C VAL A 70 6.019 -3.070 2.124 1.00 0.26 C ATOM 991 O VAL A 70 6.094 -1.912 1.706 1.00 0.29 O ATOM 992 CB VAL A 70 5.053 -3.676 4.357 1.00 0.33 C ATOM 993 CG1 VAL A 70 5.367 -4.016 5.806 1.00 0.98 C ATOM 994 CG2 VAL A 70 4.083 -2.507 4.285 1.00 1.06 C ATOM 0 H VAL A 70 6.517 -1.366 4.082 1.00 0.27 H new ATOM 0 HA VAL A 70 6.989 -4.250 3.655 1.00 0.28 H new ATOM 0 HB VAL A 70 4.578 -4.540 3.892 1.00 0.33 H new ATOM 0 HG11 VAL A 70 4.440 -4.228 6.339 1.00 0.98 H new ATOM 0 HG12 VAL A 70 6.015 -4.892 5.842 1.00 0.98 H new ATOM 0 HG13 VAL A 70 5.871 -3.172 6.277 1.00 0.98 H new ATOM 0 HG21 VAL A 70 3.179 -2.750 4.843 1.00 1.06 H new ATOM 0 HG22 VAL A 70 4.548 -1.621 4.717 1.00 1.06 H new ATOM 0 HG23 VAL A 70 3.826 -2.311 3.244 1.00 1.06 H new ATOM 1004 N ILE A 71 5.677 -4.102 1.368 1.00 0.25 N ATOM 1005 CA ILE A 71 5.454 -3.974 -0.062 1.00 0.28 C ATOM 1006 C ILE A 71 3.969 -4.018 -0.383 1.00 0.28 C ATOM 1007 O ILE A 71 3.274 -4.930 0.054 1.00 0.33 O ATOM 1008 CB ILE A 71 6.174 -5.121 -0.805 1.00 0.39 C ATOM 1009 CG1 ILE A 71 7.686 -4.881 -0.789 1.00 1.29 C ATOM 1010 CG2 ILE A 71 5.650 -5.280 -2.225 1.00 1.34 C ATOM 1011 CD1 ILE A 71 8.499 -6.037 -1.331 1.00 2.12 C ATOM 0 H ILE A 71 5.547 -5.048 1.728 1.00 0.25 H new ATOM 0 HA ILE A 71 5.853 -3.014 -0.388 1.00 0.28 H new ATOM 0 HB ILE A 71 5.966 -6.056 -0.285 1.00 0.39 H new ATOM 0 HG12 ILE A 71 7.908 -3.988 -1.374 1.00 1.29 H new ATOM 0 HG13 ILE A 71 8.000 -4.678 0.235 1.00 1.29 H new ATOM 0 HG21 ILE A 71 6.178 -6.096 -2.719 1.00 1.34 H new ATOM 0 HG22 ILE A 71 4.584 -5.503 -2.196 1.00 1.34 H new ATOM 0 HG23 ILE A 71 5.812 -4.355 -2.778 1.00 1.34 H new ATOM 0 HD11 ILE A 71 9.559 -5.789 -1.286 1.00 2.12 H new ATOM 0 HD12 ILE A 71 8.309 -6.928 -0.732 1.00 2.12 H new ATOM 0 HD13 ILE A 71 8.215 -6.228 -2.366 1.00 2.12 H new ATOM 1023 N LEU A 72 3.480 -3.028 -1.121 1.00 0.28 N ATOM 1024 CA LEU A 72 2.080 -3.049 -1.560 1.00 0.29 C ATOM 1025 C LEU A 72 1.964 -3.356 -3.061 1.00 0.27 C ATOM 1026 O LEU A 72 2.447 -2.592 -3.899 1.00 0.30 O ATOM 1027 CB LEU A 72 1.386 -1.723 -1.242 1.00 0.33 C ATOM 1028 CG LEU A 72 -0.109 -1.833 -0.911 1.00 0.37 C ATOM 1029 CD1 LEU A 72 -0.303 -2.499 0.442 1.00 0.79 C ATOM 1030 CD2 LEU A 72 -0.768 -0.461 -0.929 1.00 0.88 C ATOM 0 H LEU A 72 4.015 -2.215 -1.425 1.00 0.28 H new ATOM 0 HA LEU A 72 1.582 -3.847 -1.009 1.00 0.29 H new ATOM 0 HB2 LEU A 72 1.896 -1.257 -0.399 1.00 0.33 H new ATOM 0 HB3 LEU A 72 1.505 -1.055 -2.095 1.00 0.33 H new ATOM 0 HG LEU A 72 -0.585 -2.449 -1.674 1.00 0.37 H new ATOM 0 HD11 LEU A 72 -1.368 -2.570 0.663 1.00 0.79 H new ATOM 0 HD12 LEU A 72 0.131 -3.499 0.421 1.00 0.79 H new ATOM 0 HD13 LEU A 72 0.189 -1.906 1.213 1.00 0.79 H new ATOM 0 HD21 LEU A 72 -1.827 -0.563 -0.692 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -0.291 0.182 -0.189 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -0.659 -0.018 -1.919 1.00 0.88 H new ATOM 1042 N ARG A 73 1.324 -4.473 -3.384 1.00 0.24 N ATOM 1043 CA ARG A 73 1.030 -4.841 -4.773 1.00 0.24 C ATOM 1044 C ARG A 73 -0.399 -5.357 -4.862 1.00 0.21 C ATOM 1045 O ARG A 73 -0.905 -5.859 -3.875 1.00 0.24 O ATOM 1046 CB ARG A 73 1.980 -5.952 -5.235 1.00 0.28 C ATOM 1047 CG ARG A 73 1.315 -7.323 -5.286 1.00 0.43 C ATOM 1048 CD ARG A 73 2.321 -8.437 -5.529 1.00 0.58 C ATOM 1049 NE ARG A 73 1.673 -9.742 -5.540 1.00 0.91 N ATOM 1050 CZ ARG A 73 2.159 -10.831 -6.127 1.00 1.04 C ATOM 1051 NH1 ARG A 73 3.294 -10.778 -6.815 1.00 1.27 N ATOM 1052 NH2 ARG A 73 1.496 -11.977 -6.038 1.00 1.67 N ATOM 0 H ARG A 73 0.993 -5.150 -2.697 1.00 0.24 H new ATOM 0 HA ARG A 73 1.158 -3.964 -5.407 1.00 0.24 H new ATOM 0 HB2 ARG A 73 2.366 -5.705 -6.224 1.00 0.28 H new ATOM 0 HB3 ARG A 73 2.835 -5.994 -4.561 1.00 0.28 H new ATOM 0 HG2 ARG A 73 0.791 -7.506 -4.348 1.00 0.43 H new ATOM 0 HG3 ARG A 73 0.565 -7.333 -6.077 1.00 0.43 H new ATOM 0 HD2 ARG A 73 2.827 -8.272 -6.480 1.00 0.58 H new ATOM 0 HD3 ARG A 73 3.086 -8.415 -4.753 1.00 0.58 H new ATOM 0 HE ARG A 73 0.777 -9.826 -5.060 1.00 0.91 H new ATOM 0 HH11 ARG A 73 3.800 -9.896 -6.896 1.00 1.27 H new ATOM 0 HH12 ARG A 73 3.659 -11.619 -7.262 1.00 1.27 H new ATOM 0 HH21 ARG A 73 0.618 -12.019 -5.521 1.00 1.67 H new ATOM 0 HH22 ARG A 73 1.865 -12.816 -6.487 1.00 1.67 H new ATOM 1066 N ILE A 74 -1.064 -5.221 -6.007 1.00 0.22 N ATOM 1067 CA ILE A 74 -2.284 -5.973 -6.238 1.00 0.24 C ATOM 1068 C ILE A 74 -1.929 -7.333 -6.837 1.00 0.27 C ATOM 1069 O ILE A 74 -1.156 -7.418 -7.782 1.00 0.30 O ATOM 1070 CB ILE A 74 -3.325 -5.236 -7.117 1.00 0.31 C ATOM 1071 CG1 ILE A 74 -2.891 -5.136 -8.586 1.00 1.14 C ATOM 1072 CG2 ILE A 74 -3.600 -3.853 -6.548 1.00 1.30 C ATOM 1073 CD1 ILE A 74 -1.738 -4.189 -8.832 1.00 1.81 C ATOM 0 H ILE A 74 -0.782 -4.609 -6.772 1.00 0.22 H new ATOM 0 HA ILE A 74 -2.769 -6.098 -5.270 1.00 0.24 H new ATOM 0 HB ILE A 74 -4.241 -5.827 -7.099 1.00 0.31 H new ATOM 0 HG12 ILE A 74 -2.612 -6.129 -8.938 1.00 1.14 H new ATOM 0 HG13 ILE A 74 -3.744 -4.814 -9.183 1.00 1.14 H new ATOM 0 HG21 ILE A 74 -4.333 -3.342 -7.172 1.00 1.30 H new ATOM 0 HG22 ILE A 74 -3.989 -3.947 -5.534 1.00 1.30 H new ATOM 0 HG23 ILE A 74 -2.675 -3.277 -6.529 1.00 1.30 H new ATOM 0 HD11 ILE A 74 -1.496 -4.179 -9.895 1.00 1.81 H new ATOM 0 HD12 ILE A 74 -2.018 -3.185 -8.514 1.00 1.81 H new ATOM 0 HD13 ILE A 74 -0.868 -4.520 -8.265 1.00 1.81 H new ATOM 1085 N SER A 75 -2.445 -8.385 -6.227 1.00 0.30 N ATOM 1086 CA SER A 75 -2.144 -9.771 -6.596 1.00 0.38 C ATOM 1087 C SER A 75 -2.277 -10.062 -8.096 1.00 0.44 C ATOM 1088 O SER A 75 -1.662 -11.003 -8.604 1.00 0.50 O ATOM 1089 CB SER A 75 -3.057 -10.709 -5.807 1.00 0.47 C ATOM 1090 OG SER A 75 -4.414 -10.309 -5.910 1.00 1.16 O ATOM 0 H SER A 75 -3.097 -8.307 -5.447 1.00 0.30 H new ATOM 0 HA SER A 75 -1.096 -9.939 -6.349 1.00 0.38 H new ATOM 0 HB2 SER A 75 -2.946 -11.727 -6.179 1.00 0.47 H new ATOM 0 HB3 SER A 75 -2.756 -10.718 -4.759 1.00 0.47 H new ATOM 0 HG SER A 75 -4.959 -10.838 -5.291 1.00 1.16 H new ATOM 1096 N LYS A 76 -3.084 -9.274 -8.793 1.00 0.45 N ATOM 1097 CA LYS A 76 -3.496 -9.615 -10.151 1.00 0.54 C ATOM 1098 C LYS A 76 -2.463 -9.244 -11.215 1.00 0.55 C ATOM 1099 O LYS A 76 -2.022 -10.102 -11.979 1.00 0.61 O ATOM 1100 CB LYS A 76 -4.813 -8.901 -10.425 1.00 0.60 C ATOM 1101 CG LYS A 76 -6.036 -9.747 -10.086 1.00 1.21 C ATOM 1102 CD LYS A 76 -5.869 -10.451 -8.752 1.00 1.70 C ATOM 1103 CE LYS A 76 -6.846 -11.598 -8.588 1.00 2.16 C ATOM 1104 NZ LYS A 76 -6.409 -12.530 -7.518 1.00 2.51 N ATOM 0 H LYS A 76 -3.467 -8.396 -8.443 1.00 0.45 H new ATOM 0 HA LYS A 76 -3.603 -10.698 -10.213 1.00 0.54 H new ATOM 0 HB2 LYS A 76 -4.846 -7.978 -9.846 1.00 0.60 H new ATOM 0 HB3 LYS A 76 -4.854 -8.619 -11.477 1.00 0.60 H new ATOM 0 HG2 LYS A 76 -6.922 -9.113 -10.056 1.00 1.21 H new ATOM 0 HG3 LYS A 76 -6.199 -10.485 -10.871 1.00 1.21 H new ATOM 0 HD2 LYS A 76 -4.850 -10.828 -8.666 1.00 1.70 H new ATOM 0 HD3 LYS A 76 -6.013 -9.734 -7.944 1.00 1.70 H new ATOM 0 HE2 LYS A 76 -7.835 -11.205 -8.350 1.00 2.16 H new ATOM 0 HE3 LYS A 76 -6.936 -12.139 -9.530 1.00 2.16 H new ATOM 0 HZ1 LYS A 76 -7.061 -13.339 -7.475 1.00 2.51 H new ATOM 0 HZ2 LYS A 76 -5.448 -12.870 -7.725 1.00 2.51 H new ATOM 0 HZ3 LYS A 76 -6.412 -12.035 -6.604 1.00 2.51 H new ATOM 1118 N THR A 77 -2.093 -7.981 -11.278 1.00 0.51 N ATOM 1119 CA THR A 77 -1.005 -7.541 -12.138 1.00 0.53 C ATOM 1120 C THR A 77 0.124 -7.043 -11.251 1.00 0.47 C ATOM 1121 O THR A 77 -0.080 -6.871 -10.057 1.00 0.46 O ATOM 1122 CB THR A 77 -1.465 -6.438 -13.121 1.00 0.62 C ATOM 1123 OG1 THR A 77 -0.371 -6.013 -13.942 1.00 1.45 O ATOM 1124 CG2 THR A 77 -2.047 -5.248 -12.374 1.00 1.29 C ATOM 0 H THR A 77 -2.532 -7.233 -10.741 1.00 0.51 H new ATOM 0 HA THR A 77 -0.663 -8.377 -12.749 1.00 0.53 H new ATOM 0 HB THR A 77 -2.244 -6.859 -13.756 1.00 0.62 H new ATOM 0 HG1 THR A 77 -0.677 -5.317 -14.560 1.00 1.45 H new ATOM 0 HG21 THR A 77 -2.362 -4.488 -13.089 1.00 1.29 H new ATOM 0 HG22 THR A 77 -2.906 -5.572 -11.787 1.00 1.29 H new ATOM 0 HG23 THR A 77 -1.290 -4.830 -11.710 1.00 1.29 H new ATOM 1132 N GLN A 78 1.301 -6.772 -11.787 1.00 0.50 N ATOM 1133 CA GLN A 78 2.357 -6.308 -10.913 1.00 0.49 C ATOM 1134 C GLN A 78 2.486 -4.800 -11.039 1.00 0.46 C ATOM 1135 O GLN A 78 3.478 -4.261 -11.538 1.00 0.48 O ATOM 1136 CB GLN A 78 3.673 -7.002 -11.267 1.00 0.59 C ATOM 1137 CG GLN A 78 3.552 -8.516 -11.308 1.00 1.49 C ATOM 1138 CD GLN A 78 4.817 -9.191 -11.788 1.00 2.14 C ATOM 1139 OE1 GLN A 78 5.676 -9.573 -10.994 1.00 2.69 O ATOM 1140 NE2 GLN A 78 4.953 -9.313 -13.096 1.00 2.90 N ATOM 0 H GLN A 78 1.541 -6.860 -12.774 1.00 0.50 H new ATOM 0 HA GLN A 78 2.114 -6.554 -9.879 1.00 0.49 H new ATOM 0 HB2 GLN A 78 4.017 -6.644 -12.237 1.00 0.59 H new ATOM 0 HB3 GLN A 78 4.433 -6.723 -10.537 1.00 0.59 H new ATOM 0 HG2 GLN A 78 3.305 -8.883 -10.312 1.00 1.49 H new ATOM 0 HG3 GLN A 78 2.726 -8.793 -11.964 1.00 1.49 H new ATOM 0 HE21 GLN A 78 4.216 -8.983 -13.718 1.00 2.90 H new ATOM 0 HE22 GLN A 78 5.795 -9.738 -13.484 1.00 2.90 H new ATOM 1149 N LEU A 79 1.464 -4.140 -10.518 1.00 0.46 N ATOM 1150 CA LEU A 79 1.463 -2.709 -10.306 1.00 0.45 C ATOM 1151 C LEU A 79 1.748 -2.453 -8.847 1.00 0.42 C ATOM 1152 O LEU A 79 0.961 -2.808 -7.969 1.00 0.54 O ATOM 1153 CB LEU A 79 0.128 -2.079 -10.726 1.00 0.59 C ATOM 1154 CG LEU A 79 0.016 -1.668 -12.200 1.00 0.95 C ATOM 1155 CD1 LEU A 79 0.419 -2.802 -13.132 1.00 1.95 C ATOM 1156 CD2 LEU A 79 -1.403 -1.223 -12.508 1.00 1.61 C ATOM 0 H LEU A 79 0.599 -4.595 -10.227 1.00 0.46 H new ATOM 0 HA LEU A 79 2.232 -2.247 -10.925 1.00 0.45 H new ATOM 0 HB2 LEU A 79 -0.671 -2.786 -10.504 1.00 0.59 H new ATOM 0 HB3 LEU A 79 -0.046 -1.198 -10.109 1.00 0.59 H new ATOM 0 HG LEU A 79 0.703 -0.839 -12.368 1.00 0.95 H new ATOM 0 HD11 LEU A 79 0.326 -2.473 -14.167 1.00 1.95 H new ATOM 0 HD12 LEU A 79 1.452 -3.087 -12.933 1.00 1.95 H new ATOM 0 HD13 LEU A 79 -0.233 -3.660 -12.965 1.00 1.95 H new ATOM 0 HD21 LEU A 79 -1.474 -0.933 -13.556 1.00 1.61 H new ATOM 0 HD22 LEU A 79 -2.093 -2.044 -12.311 1.00 1.61 H new ATOM 0 HD23 LEU A 79 -1.662 -0.372 -11.878 1.00 1.61 H new ATOM 1168 N TYR A 80 2.880 -1.869 -8.595 1.00 0.34 N ATOM 1169 CA TYR A 80 3.339 -1.642 -7.252 1.00 0.38 C ATOM 1170 C TYR A 80 3.202 -0.171 -6.944 1.00 0.34 C ATOM 1171 O TYR A 80 3.130 0.645 -7.842 1.00 0.45 O ATOM 1172 CB TYR A 80 4.781 -2.135 -7.097 1.00 0.60 C ATOM 1173 CG TYR A 80 4.905 -3.647 -7.017 1.00 1.27 C ATOM 1174 CD1 TYR A 80 4.362 -4.475 -7.995 1.00 2.27 C ATOM 1175 CD2 TYR A 80 5.566 -4.246 -5.957 1.00 1.56 C ATOM 1176 CE1 TYR A 80 4.473 -5.850 -7.910 1.00 3.30 C ATOM 1177 CE2 TYR A 80 5.686 -5.617 -5.867 1.00 2.49 C ATOM 1178 CZ TYR A 80 5.137 -6.417 -6.843 1.00 3.33 C ATOM 1179 OH TYR A 80 5.249 -7.786 -6.748 1.00 4.39 O ATOM 0 H TYR A 80 3.517 -1.533 -9.317 1.00 0.34 H new ATOM 0 HA TYR A 80 2.736 -2.204 -6.538 1.00 0.38 H new ATOM 0 HB2 TYR A 80 5.371 -1.775 -7.940 1.00 0.60 H new ATOM 0 HB3 TYR A 80 5.211 -1.696 -6.197 1.00 0.60 H new ATOM 0 HD1 TYR A 80 3.845 -4.035 -8.835 1.00 2.27 H new ATOM 0 HD2 TYR A 80 5.997 -3.626 -5.185 1.00 1.56 H new ATOM 0 HE1 TYR A 80 4.042 -6.477 -8.676 1.00 3.30 H new ATOM 0 HE2 TYR A 80 6.209 -6.061 -5.033 1.00 2.49 H new ATOM 0 HH TYR A 80 5.263 -8.176 -7.647 1.00 4.39 H new ATOM 1189 N VAL A 81 3.120 0.160 -5.690 1.00 0.32 N ATOM 1190 CA VAL A 81 2.838 1.527 -5.290 1.00 0.32 C ATOM 1191 C VAL A 81 4.097 2.386 -5.275 1.00 0.32 C ATOM 1192 O VAL A 81 5.096 2.029 -4.650 1.00 0.36 O ATOM 1193 CB VAL A 81 2.151 1.604 -3.919 1.00 0.36 C ATOM 1194 CG1 VAL A 81 1.696 3.028 -3.626 1.00 0.46 C ATOM 1195 CG2 VAL A 81 0.974 0.644 -3.858 1.00 0.38 C ATOM 0 H VAL A 81 3.243 -0.493 -4.916 1.00 0.32 H new ATOM 0 HA VAL A 81 2.152 1.919 -6.041 1.00 0.32 H new ATOM 0 HB VAL A 81 2.873 1.312 -3.157 1.00 0.36 H new ATOM 0 HG11 VAL A 81 1.212 3.062 -2.650 1.00 0.46 H new ATOM 0 HG12 VAL A 81 2.560 3.693 -3.626 1.00 0.46 H new ATOM 0 HG13 VAL A 81 0.991 3.350 -4.392 1.00 0.46 H new ATOM 0 HG21 VAL A 81 0.499 0.712 -2.879 1.00 0.38 H new ATOM 0 HG22 VAL A 81 0.251 0.905 -4.631 1.00 0.38 H new ATOM 0 HG23 VAL A 81 1.327 -0.375 -4.020 1.00 0.38 H new ATOM 1205 N THR A 82 4.069 3.475 -6.028 1.00 0.32 N ATOM 1206 CA THR A 82 5.084 4.487 -5.946 1.00 0.32 C ATOM 1207 C THR A 82 4.606 5.581 -5.003 1.00 0.31 C ATOM 1208 O THR A 82 3.419 5.876 -4.921 1.00 0.32 O ATOM 1209 CB THR A 82 5.342 5.144 -7.315 1.00 0.32 C ATOM 1210 OG1 THR A 82 4.224 4.958 -8.172 1.00 1.22 O ATOM 1211 CG2 THR A 82 6.580 4.632 -8.008 1.00 1.37 C ATOM 0 H THR A 82 3.337 3.672 -6.710 1.00 0.32 H new ATOM 0 HA THR A 82 6.001 4.013 -5.596 1.00 0.32 H new ATOM 0 HB THR A 82 5.500 6.203 -7.110 1.00 0.32 H new ATOM 0 HG1 THR A 82 4.501 5.084 -9.103 1.00 1.22 H new ATOM 0 HG21 THR A 82 6.697 5.140 -8.965 1.00 1.37 H new ATOM 0 HG22 THR A 82 7.453 4.827 -7.385 1.00 1.37 H new ATOM 0 HG23 THR A 82 6.486 3.559 -8.175 1.00 1.37 H new ATOM 1219 N ALA A 83 5.530 6.144 -4.272 1.00 0.33 N ATOM 1220 CA ALA A 83 5.227 7.221 -3.355 1.00 0.32 C ATOM 1221 C ALA A 83 5.573 8.554 -4.005 1.00 0.27 C ATOM 1222 O ALA A 83 6.719 8.781 -4.394 1.00 0.31 O ATOM 1223 CB ALA A 83 5.992 7.021 -2.057 1.00 0.41 C ATOM 0 H ALA A 83 6.513 5.873 -4.292 1.00 0.33 H new ATOM 0 HA ALA A 83 4.162 7.222 -3.121 1.00 0.32 H new ATOM 0 HB1 ALA A 83 5.761 7.834 -1.369 1.00 0.41 H new ATOM 0 HB2 ALA A 83 5.702 6.072 -1.607 1.00 0.41 H new ATOM 0 HB3 ALA A 83 7.062 7.013 -2.263 1.00 0.41 H new ATOM 1229 N GLN A 84 4.574 9.422 -4.147 1.00 0.25 N ATOM 1230 CA GLN A 84 4.770 10.694 -4.825 1.00 0.26 C ATOM 1231 C GLN A 84 5.193 11.755 -3.815 1.00 0.25 C ATOM 1232 O GLN A 84 6.244 11.627 -3.198 1.00 0.28 O ATOM 1233 CB GLN A 84 3.505 11.114 -5.589 1.00 0.33 C ATOM 1234 CG GLN A 84 3.796 11.714 -6.961 1.00 0.77 C ATOM 1235 CD GLN A 84 4.585 13.005 -6.888 1.00 1.32 C ATOM 1236 OE1 GLN A 84 5.814 12.998 -6.855 1.00 2.05 O ATOM 1237 NE2 GLN A 84 3.884 14.124 -6.884 1.00 2.02 N ATOM 0 H GLN A 84 3.627 9.266 -3.803 1.00 0.25 H new ATOM 0 HA GLN A 84 5.565 10.583 -5.562 1.00 0.26 H new ATOM 0 HB2 GLN A 84 2.858 10.245 -5.711 1.00 0.33 H new ATOM 0 HB3 GLN A 84 2.954 11.841 -4.992 1.00 0.33 H new ATOM 0 HG2 GLN A 84 4.350 10.990 -7.558 1.00 0.77 H new ATOM 0 HG3 GLN A 84 2.854 11.899 -7.478 1.00 0.77 H new ATOM 0 HE21 GLN A 84 2.865 14.088 -6.912 1.00 2.02 H new ATOM 0 HE22 GLN A 84 4.361 15.025 -6.853 1.00 2.02 H new ATOM 1246 N ASP A 85 4.404 12.808 -3.651 1.00 0.24 N ATOM 1247 CA ASP A 85 4.722 13.811 -2.638 1.00 0.28 C ATOM 1248 C ASP A 85 3.459 14.420 -2.039 1.00 0.26 C ATOM 1249 O ASP A 85 2.767 15.197 -2.696 1.00 0.27 O ATOM 1250 CB ASP A 85 5.612 14.903 -3.236 1.00 0.34 C ATOM 1251 CG ASP A 85 6.268 15.765 -2.178 1.00 0.44 C ATOM 1252 OD1 ASP A 85 7.222 15.289 -1.522 1.00 0.53 O ATOM 1253 OD2 ASP A 85 5.856 16.932 -2.014 1.00 0.56 O ATOM 0 H ASP A 85 3.558 12.990 -4.191 1.00 0.24 H new ATOM 0 HA ASP A 85 5.263 13.314 -1.833 1.00 0.28 H new ATOM 0 HB2 ASP A 85 6.383 14.441 -3.852 1.00 0.34 H new ATOM 0 HB3 ASP A 85 5.014 15.534 -3.894 1.00 0.34 H new ATOM 1258 N GLU A 86 3.170 14.038 -0.794 1.00 0.27 N ATOM 1259 CA GLU A 86 2.058 14.586 -0.015 1.00 0.29 C ATOM 1260 C GLU A 86 0.753 14.542 -0.824 1.00 0.22 C ATOM 1261 O GLU A 86 0.514 13.546 -1.470 1.00 0.19 O ATOM 1262 CB GLU A 86 2.439 15.977 0.483 1.00 0.40 C ATOM 1263 CG GLU A 86 1.412 16.636 1.392 1.00 0.51 C ATOM 1264 CD GLU A 86 1.759 18.069 1.718 1.00 0.78 C ATOM 1265 OE1 GLU A 86 1.480 18.958 0.883 1.00 1.62 O ATOM 1266 OE2 GLU A 86 2.306 18.314 2.813 1.00 1.04 O ATOM 0 H GLU A 86 3.708 13.331 -0.292 1.00 0.27 H new ATOM 0 HA GLU A 86 1.866 13.974 0.866 1.00 0.29 H new ATOM 0 HB2 GLU A 86 3.386 15.908 1.019 1.00 0.40 H new ATOM 0 HB3 GLU A 86 2.607 16.622 -0.379 1.00 0.40 H new ATOM 0 HG2 GLU A 86 0.434 16.603 0.912 1.00 0.51 H new ATOM 0 HG3 GLU A 86 1.333 16.066 2.318 1.00 0.51 H new ATOM 1273 N ASP A 87 -0.059 15.604 -0.838 1.00 0.22 N ATOM 1274 CA ASP A 87 -1.366 15.557 -1.490 1.00 0.20 C ATOM 1275 C ASP A 87 -1.200 15.496 -3.002 1.00 0.23 C ATOM 1276 O ASP A 87 -1.385 16.476 -3.723 1.00 0.30 O ATOM 1277 CB ASP A 87 -2.207 16.775 -1.086 1.00 0.28 C ATOM 1278 CG ASP A 87 -3.673 16.634 -1.462 1.00 0.33 C ATOM 1279 OD1 ASP A 87 -4.454 16.117 -0.637 1.00 0.56 O ATOM 1280 OD2 ASP A 87 -4.060 17.054 -2.574 1.00 0.61 O ATOM 0 H ASP A 87 0.166 16.501 -0.407 1.00 0.22 H new ATOM 0 HA ASP A 87 -1.888 14.657 -1.165 1.00 0.20 H new ATOM 0 HB2 ASP A 87 -2.126 16.925 -0.009 1.00 0.28 H new ATOM 0 HB3 ASP A 87 -1.799 17.666 -1.563 1.00 0.28 H new ATOM 1285 N GLN A 88 -0.823 14.316 -3.444 1.00 0.19 N ATOM 1286 CA GLN A 88 -0.719 13.950 -4.838 1.00 0.24 C ATOM 1287 C GLN A 88 -0.821 12.439 -4.896 1.00 0.21 C ATOM 1288 O GLN A 88 -0.076 11.749 -4.205 1.00 0.19 O ATOM 1289 CB GLN A 88 0.593 14.461 -5.439 1.00 0.32 C ATOM 1290 CG GLN A 88 0.454 15.830 -6.090 1.00 1.03 C ATOM 1291 CD GLN A 88 1.770 16.569 -6.218 1.00 1.28 C ATOM 1292 OE1 GLN A 88 1.986 17.319 -7.173 1.00 1.89 O ATOM 1293 NE2 GLN A 88 2.645 16.398 -5.240 1.00 1.93 N ATOM 0 H GLN A 88 -0.570 13.554 -2.815 1.00 0.19 H new ATOM 0 HA GLN A 88 -1.514 14.404 -5.429 1.00 0.24 H new ATOM 0 HB2 GLN A 88 1.350 14.512 -4.656 1.00 0.32 H new ATOM 0 HB3 GLN A 88 0.949 13.746 -6.181 1.00 0.32 H new ATOM 0 HG2 GLN A 88 0.014 15.711 -7.080 1.00 1.03 H new ATOM 0 HG3 GLN A 88 -0.239 16.434 -5.504 1.00 1.03 H new ATOM 0 HE21 GLN A 88 2.429 15.769 -4.467 1.00 1.93 H new ATOM 0 HE22 GLN A 88 3.535 16.896 -5.259 1.00 1.93 H new ATOM 1302 N PRO A 89 -1.737 11.905 -5.705 1.00 0.24 N ATOM 1303 CA PRO A 89 -2.184 10.520 -5.561 1.00 0.24 C ATOM 1304 C PRO A 89 -1.070 9.502 -5.728 1.00 0.21 C ATOM 1305 O PRO A 89 -0.104 9.722 -6.458 1.00 0.22 O ATOM 1306 CB PRO A 89 -3.214 10.355 -6.683 1.00 0.33 C ATOM 1307 CG PRO A 89 -2.921 11.453 -7.649 1.00 0.58 C ATOM 1308 CD PRO A 89 -2.397 12.591 -6.825 1.00 0.33 C ATOM 0 HA PRO A 89 -2.575 10.340 -4.559 1.00 0.24 H new ATOM 0 HB2 PRO A 89 -3.125 9.378 -7.159 1.00 0.33 H new ATOM 0 HB3 PRO A 89 -4.231 10.430 -6.298 1.00 0.33 H new ATOM 0 HG2 PRO A 89 -2.187 11.136 -8.390 1.00 0.58 H new ATOM 0 HG3 PRO A 89 -3.819 11.745 -8.194 1.00 0.58 H new ATOM 0 HD2 PRO A 89 -1.699 13.210 -7.388 1.00 0.33 H new ATOM 0 HD3 PRO A 89 -3.199 13.245 -6.483 1.00 0.33 H new ATOM 1316 N VAL A 90 -1.229 8.386 -5.027 1.00 0.23 N ATOM 1317 CA VAL A 90 -0.312 7.268 -5.135 1.00 0.24 C ATOM 1318 C VAL A 90 -0.320 6.722 -6.565 1.00 0.24 C ATOM 1319 O VAL A 90 -1.376 6.497 -7.161 1.00 0.28 O ATOM 1320 CB VAL A 90 -0.658 6.152 -4.114 1.00 0.36 C ATOM 1321 CG1 VAL A 90 -0.761 6.731 -2.714 1.00 1.31 C ATOM 1322 CG2 VAL A 90 -1.944 5.429 -4.485 1.00 1.10 C ATOM 0 H VAL A 90 -1.995 8.235 -4.371 1.00 0.23 H new ATOM 0 HA VAL A 90 0.691 7.623 -4.900 1.00 0.24 H new ATOM 0 HB VAL A 90 0.150 5.420 -4.137 1.00 0.36 H new ATOM 0 HG11 VAL A 90 -1.004 5.936 -2.009 1.00 1.31 H new ATOM 0 HG12 VAL A 90 0.191 7.184 -2.437 1.00 1.31 H new ATOM 0 HG13 VAL A 90 -1.544 7.489 -2.690 1.00 1.31 H new ATOM 0 HG21 VAL A 90 -2.152 4.655 -3.746 1.00 1.10 H new ATOM 0 HG22 VAL A 90 -2.769 6.141 -4.507 1.00 1.10 H new ATOM 0 HG23 VAL A 90 -1.834 4.972 -5.468 1.00 1.10 H new ATOM 1332 N LEU A 91 0.868 6.556 -7.118 1.00 0.22 N ATOM 1333 CA LEU A 91 1.038 6.226 -8.515 1.00 0.24 C ATOM 1334 C LEU A 91 1.258 4.732 -8.647 1.00 0.26 C ATOM 1335 O LEU A 91 1.781 4.106 -7.736 1.00 0.33 O ATOM 1336 CB LEU A 91 2.220 7.008 -9.095 1.00 0.30 C ATOM 1337 CG LEU A 91 2.161 8.527 -8.896 1.00 0.31 C ATOM 1338 CD1 LEU A 91 3.397 9.190 -9.482 1.00 0.42 C ATOM 1339 CD2 LEU A 91 0.902 9.099 -9.529 1.00 0.34 C ATOM 0 H LEU A 91 1.745 6.648 -6.605 1.00 0.22 H new ATOM 0 HA LEU A 91 0.144 6.502 -9.075 1.00 0.24 H new ATOM 0 HB2 LEU A 91 3.139 6.634 -8.643 1.00 0.30 H new ATOM 0 HB3 LEU A 91 2.283 6.800 -10.163 1.00 0.30 H new ATOM 0 HG LEU A 91 2.134 8.732 -7.826 1.00 0.31 H new ATOM 0 HD11 LEU A 91 3.338 10.268 -9.331 1.00 0.42 H new ATOM 0 HD12 LEU A 91 4.287 8.803 -8.986 1.00 0.42 H new ATOM 0 HD13 LEU A 91 3.454 8.975 -10.549 1.00 0.42 H new ATOM 0 HD21 LEU A 91 0.877 10.178 -9.378 1.00 0.34 H new ATOM 0 HD22 LEU A 91 0.901 8.882 -10.597 1.00 0.34 H new ATOM 0 HD23 LEU A 91 0.025 8.647 -9.066 1.00 0.34 H new ATOM 1351 N LEU A 92 0.780 4.134 -9.717 1.00 0.27 N ATOM 1352 CA LEU A 92 0.959 2.703 -9.881 1.00 0.28 C ATOM 1353 C LEU A 92 2.152 2.426 -10.789 1.00 0.29 C ATOM 1354 O LEU A 92 2.072 2.514 -12.016 1.00 0.31 O ATOM 1355 CB LEU A 92 -0.314 2.067 -10.447 1.00 0.32 C ATOM 1356 CG LEU A 92 -1.549 2.189 -9.547 1.00 0.76 C ATOM 1357 CD1 LEU A 92 -2.762 1.557 -10.209 1.00 1.15 C ATOM 1358 CD2 LEU A 92 -1.290 1.548 -8.189 1.00 1.30 C ATOM 0 H LEU A 92 0.276 4.600 -10.471 1.00 0.27 H new ATOM 0 HA LEU A 92 1.156 2.258 -8.906 1.00 0.28 H new ATOM 0 HB2 LEU A 92 -0.536 2.528 -11.409 1.00 0.32 H new ATOM 0 HB3 LEU A 92 -0.122 1.011 -10.636 1.00 0.32 H new ATOM 0 HG LEU A 92 -1.754 3.249 -9.395 1.00 0.76 H new ATOM 0 HD11 LEU A 92 -3.627 1.655 -9.553 1.00 1.15 H new ATOM 0 HD12 LEU A 92 -2.965 2.061 -11.154 1.00 1.15 H new ATOM 0 HD13 LEU A 92 -2.566 0.501 -10.396 1.00 1.15 H new ATOM 0 HD21 LEU A 92 -2.179 1.645 -7.565 1.00 1.30 H new ATOM 0 HD22 LEU A 92 -1.055 0.492 -8.324 1.00 1.30 H new ATOM 0 HD23 LEU A 92 -0.451 2.047 -7.705 1.00 1.30 H new ATOM 1370 N LYS A 93 3.270 2.100 -10.143 1.00 0.31 N ATOM 1371 CA LYS A 93 4.512 1.783 -10.803 1.00 0.37 C ATOM 1372 C LYS A 93 4.617 0.284 -11.014 1.00 0.38 C ATOM 1373 O LYS A 93 4.591 -0.485 -10.059 1.00 0.39 O ATOM 1374 CB LYS A 93 5.685 2.267 -9.944 1.00 0.46 C ATOM 1375 CG LYS A 93 5.789 1.603 -8.582 1.00 1.29 C ATOM 1376 CD LYS A 93 7.016 0.713 -8.496 1.00 2.11 C ATOM 1377 CE LYS A 93 7.172 0.111 -7.114 1.00 2.85 C ATOM 1378 NZ LYS A 93 7.368 1.156 -6.082 1.00 3.26 N ATOM 0 H LYS A 93 3.327 2.051 -9.126 1.00 0.31 H new ATOM 0 HA LYS A 93 4.541 2.281 -11.772 1.00 0.37 H new ATOM 0 HB2 LYS A 93 6.613 2.094 -10.489 1.00 0.46 H new ATOM 0 HB3 LYS A 93 5.594 3.344 -9.802 1.00 0.46 H new ATOM 0 HG2 LYS A 93 5.835 2.366 -7.805 1.00 1.29 H new ATOM 0 HG3 LYS A 93 4.893 1.011 -8.394 1.00 1.29 H new ATOM 0 HD2 LYS A 93 6.940 -0.085 -9.235 1.00 2.11 H new ATOM 0 HD3 LYS A 93 7.905 1.293 -8.743 1.00 2.11 H new ATOM 0 HE2 LYS A 93 6.288 -0.479 -6.872 1.00 2.85 H new ATOM 0 HE3 LYS A 93 8.022 -0.571 -7.108 1.00 2.85 H new ATOM 0 HZ1 LYS A 93 8.275 1.000 -5.598 1.00 3.26 H new ATOM 0 HZ2 LYS A 93 7.374 2.093 -6.533 1.00 3.26 H new ATOM 0 HZ3 LYS A 93 6.593 1.110 -5.390 1.00 3.26 H new ATOM 1392 N GLU A 94 4.752 -0.165 -12.240 1.00 0.43 N ATOM 1393 CA GLU A 94 4.757 -1.584 -12.455 1.00 0.47 C ATOM 1394 C GLU A 94 6.187 -2.108 -12.424 1.00 0.52 C ATOM 1395 O GLU A 94 6.946 -2.074 -13.393 1.00 0.62 O ATOM 1396 CB GLU A 94 4.047 -1.922 -13.768 1.00 0.56 C ATOM 1397 CG GLU A 94 4.706 -1.377 -15.024 1.00 1.38 C ATOM 1398 CD GLU A 94 4.074 -1.931 -16.283 1.00 1.76 C ATOM 1399 OE1 GLU A 94 3.103 -1.330 -16.784 1.00 2.05 O ATOM 1400 OE2 GLU A 94 4.546 -2.979 -16.778 1.00 2.33 O ATOM 0 H GLU A 94 4.856 0.412 -13.075 1.00 0.43 H new ATOM 0 HA GLU A 94 4.208 -2.078 -11.654 1.00 0.47 H new ATOM 0 HB2 GLU A 94 3.978 -3.006 -13.855 1.00 0.56 H new ATOM 0 HB3 GLU A 94 3.027 -1.541 -13.719 1.00 0.56 H new ATOM 0 HG2 GLU A 94 4.632 -0.290 -15.030 1.00 1.38 H new ATOM 0 HG3 GLU A 94 5.768 -1.624 -15.013 1.00 1.38 H new ATOM 1407 N MET A 95 6.538 -2.555 -11.228 1.00 0.50 N ATOM 1408 CA MET A 95 7.823 -3.164 -10.947 1.00 0.59 C ATOM 1409 C MET A 95 7.597 -4.620 -10.571 1.00 0.66 C ATOM 1410 O MET A 95 6.976 -4.912 -9.552 1.00 0.65 O ATOM 1411 CB MET A 95 8.551 -2.397 -9.823 1.00 0.60 C ATOM 1412 CG MET A 95 9.402 -1.248 -10.340 1.00 1.21 C ATOM 1413 SD MET A 95 10.213 -0.325 -9.019 1.00 1.67 S ATOM 1414 CE MET A 95 11.131 0.879 -9.978 1.00 2.39 C ATOM 0 H MET A 95 5.926 -2.503 -10.414 1.00 0.50 H new ATOM 0 HA MET A 95 8.460 -3.118 -11.831 1.00 0.59 H new ATOM 0 HB2 MET A 95 7.814 -2.008 -9.120 1.00 0.60 H new ATOM 0 HB3 MET A 95 9.184 -3.090 -9.269 1.00 0.60 H new ATOM 0 HG2 MET A 95 10.159 -1.640 -11.020 1.00 1.21 H new ATOM 0 HG3 MET A 95 8.775 -0.570 -10.918 1.00 1.21 H new ATOM 0 HE1 MET A 95 11.690 1.530 -9.306 1.00 2.39 H new ATOM 0 HE2 MET A 95 11.824 0.363 -10.642 1.00 2.39 H new ATOM 0 HE3 MET A 95 10.438 1.477 -10.570 1.00 2.39 H new ATOM 1424 N PRO A 96 8.096 -5.549 -11.394 1.00 0.82 N ATOM 1425 CA PRO A 96 7.738 -6.965 -11.290 1.00 0.95 C ATOM 1426 C PRO A 96 8.366 -7.685 -10.098 1.00 0.93 C ATOM 1427 O PRO A 96 9.589 -7.686 -9.925 1.00 0.98 O ATOM 1428 CB PRO A 96 8.253 -7.553 -12.604 1.00 1.19 C ATOM 1429 CG PRO A 96 9.380 -6.667 -13.006 1.00 1.26 C ATOM 1430 CD PRO A 96 9.051 -5.293 -12.485 1.00 0.99 C ATOM 0 HA PRO A 96 6.667 -7.085 -11.128 1.00 0.95 H new ATOM 0 HB2 PRO A 96 8.587 -8.582 -12.472 1.00 1.19 H new ATOM 0 HB3 PRO A 96 7.471 -7.567 -13.364 1.00 1.19 H new ATOM 0 HG2 PRO A 96 10.322 -7.024 -12.590 1.00 1.26 H new ATOM 0 HG3 PRO A 96 9.495 -6.654 -14.090 1.00 1.26 H new ATOM 0 HD2 PRO A 96 9.942 -4.778 -12.124 1.00 0.99 H new ATOM 0 HD3 PRO A 96 8.613 -4.666 -13.261 1.00 0.99 H new ATOM 1438 N GLU A 97 7.497 -8.314 -9.302 1.00 0.98 N ATOM 1439 CA GLU A 97 7.892 -9.172 -8.186 1.00 1.06 C ATOM 1440 C GLU A 97 8.530 -8.385 -7.047 1.00 0.90 C ATOM 1441 O GLU A 97 9.206 -7.376 -7.248 1.00 0.88 O ATOM 1442 CB GLU A 97 8.825 -10.290 -8.651 1.00 1.32 C ATOM 1443 CG GLU A 97 8.923 -11.452 -7.675 1.00 1.84 C ATOM 1444 CD GLU A 97 9.515 -12.695 -8.307 1.00 2.42 C ATOM 1445 OE1 GLU A 97 10.735 -12.721 -8.567 1.00 3.15 O ATOM 1446 OE2 GLU A 97 8.757 -13.660 -8.544 1.00 2.74 O ATOM 0 H GLU A 97 6.486 -8.239 -9.418 1.00 0.98 H new ATOM 0 HA GLU A 97 6.977 -9.620 -7.800 1.00 1.06 H new ATOM 0 HB2 GLU A 97 8.477 -10.664 -9.614 1.00 1.32 H new ATOM 0 HB3 GLU A 97 9.821 -9.877 -8.811 1.00 1.32 H new ATOM 0 HG2 GLU A 97 9.535 -11.155 -6.823 1.00 1.84 H new ATOM 0 HG3 GLU A 97 7.930 -11.683 -7.289 1.00 1.84 H new ATOM 1453 N ILE A 98 8.289 -8.867 -5.842 1.00 1.08 N ATOM 1454 CA ILE A 98 8.787 -8.235 -4.634 1.00 1.17 C ATOM 1455 C ILE A 98 10.307 -8.373 -4.552 1.00 1.10 C ATOM 1456 O ILE A 98 10.843 -9.481 -4.547 1.00 1.29 O ATOM 1457 CB ILE A 98 8.124 -8.862 -3.383 1.00 1.61 C ATOM 1458 CG1 ILE A 98 8.273 -10.391 -3.396 1.00 2.25 C ATOM 1459 CG2 ILE A 98 6.653 -8.469 -3.318 1.00 2.35 C ATOM 1460 CD1 ILE A 98 7.621 -11.084 -2.219 1.00 3.20 C ATOM 0 H ILE A 98 7.741 -9.710 -5.673 1.00 1.08 H new ATOM 0 HA ILE A 98 8.533 -7.176 -4.667 1.00 1.17 H new ATOM 0 HB ILE A 98 8.629 -8.481 -2.495 1.00 1.61 H new ATOM 0 HG12 ILE A 98 7.841 -10.780 -4.318 1.00 2.25 H new ATOM 0 HG13 ILE A 98 9.334 -10.642 -3.410 1.00 2.25 H new ATOM 0 HG21 ILE A 98 6.196 -8.915 -2.435 1.00 2.35 H new ATOM 0 HG22 ILE A 98 6.568 -7.384 -3.262 1.00 2.35 H new ATOM 0 HG23 ILE A 98 6.141 -8.827 -4.211 1.00 2.35 H new ATOM 0 HD11 ILE A 98 7.771 -12.160 -2.302 1.00 3.20 H new ATOM 0 HD12 ILE A 98 8.069 -10.726 -1.292 1.00 3.20 H new ATOM 0 HD13 ILE A 98 6.553 -10.866 -2.214 1.00 3.20 H new ATOM 1472 N PRO A 99 11.018 -7.240 -4.513 1.00 1.08 N ATOM 1473 CA PRO A 99 12.479 -7.220 -4.540 1.00 1.14 C ATOM 1474 C PRO A 99 13.105 -7.765 -3.261 1.00 1.08 C ATOM 1475 O PRO A 99 12.581 -7.585 -2.161 1.00 1.15 O ATOM 1476 CB PRO A 99 12.827 -5.736 -4.724 1.00 1.38 C ATOM 1477 CG PRO A 99 11.544 -5.063 -5.086 1.00 1.61 C ATOM 1478 CD PRO A 99 10.460 -5.885 -4.456 1.00 1.28 C ATOM 0 HA PRO A 99 12.868 -7.860 -5.332 1.00 1.14 H new ATOM 0 HB2 PRO A 99 13.245 -5.316 -3.810 1.00 1.38 H new ATOM 0 HB3 PRO A 99 13.574 -5.603 -5.507 1.00 1.38 H new ATOM 0 HG2 PRO A 99 11.522 -4.038 -4.716 1.00 1.61 H new ATOM 0 HG3 PRO A 99 11.419 -5.015 -6.168 1.00 1.61 H new ATOM 0 HD2 PRO A 99 10.256 -5.572 -3.432 1.00 1.28 H new ATOM 0 HD3 PRO A 99 9.521 -5.809 -5.005 1.00 1.28 H new ATOM 1486 N LYS A 100 14.241 -8.421 -3.430 1.00 1.10 N ATOM 1487 CA LYS A 100 14.970 -9.045 -2.335 1.00 1.07 C ATOM 1488 C LYS A 100 16.188 -8.224 -1.983 1.00 1.03 C ATOM 1489 O LYS A 100 16.739 -8.380 -0.920 1.00 0.99 O ATOM 1490 CB LYS A 100 15.370 -10.477 -2.707 1.00 1.15 C ATOM 1491 CG LYS A 100 16.102 -11.218 -1.601 1.00 1.99 C ATOM 1492 CD LYS A 100 16.474 -12.627 -2.023 1.00 2.34 C ATOM 1493 CE LYS A 100 17.196 -13.361 -0.907 1.00 3.09 C ATOM 1494 NZ LYS A 100 16.410 -13.359 0.355 1.00 3.70 N ATOM 0 H LYS A 100 14.688 -8.537 -4.339 1.00 1.10 H new ATOM 0 HA LYS A 100 14.320 -9.088 -1.461 1.00 1.07 H new ATOM 0 HB2 LYS A 100 14.474 -11.036 -2.974 1.00 1.15 H new ATOM 0 HB3 LYS A 100 16.004 -10.448 -3.593 1.00 1.15 H new ATOM 0 HG2 LYS A 100 17.004 -10.669 -1.330 1.00 1.99 H new ATOM 0 HG3 LYS A 100 15.473 -11.258 -0.711 1.00 1.99 H new ATOM 0 HD2 LYS A 100 15.574 -13.176 -2.300 1.00 2.34 H new ATOM 0 HD3 LYS A 100 17.110 -12.589 -2.908 1.00 2.34 H new ATOM 0 HE2 LYS A 100 17.389 -14.389 -1.213 1.00 3.09 H new ATOM 0 HE3 LYS A 100 18.165 -12.894 -0.732 1.00 3.09 H new ATOM 0 HZ1 LYS A 100 16.778 -14.092 0.994 1.00 3.70 H new ATOM 0 HZ2 LYS A 100 16.490 -12.428 0.812 1.00 3.70 H new ATOM 0 HZ3 LYS A 100 15.411 -13.555 0.142 1.00 3.70 H new ATOM 1508 N THR A 101 16.630 -7.401 -2.903 1.00 1.10 N ATOM 1509 CA THR A 101 17.682 -6.448 -2.635 1.00 1.11 C ATOM 1510 C THR A 101 17.267 -5.102 -3.208 1.00 1.16 C ATOM 1511 O THR A 101 17.223 -4.915 -4.424 1.00 1.30 O ATOM 1512 CB THR A 101 19.003 -6.936 -3.262 1.00 1.30 C ATOM 1513 OG1 THR A 101 19.537 -8.015 -2.483 1.00 1.73 O ATOM 1514 CG2 THR A 101 20.032 -5.822 -3.384 1.00 1.92 C ATOM 0 H THR A 101 16.272 -7.372 -3.858 1.00 1.10 H new ATOM 0 HA THR A 101 17.842 -6.347 -1.562 1.00 1.11 H new ATOM 0 HB THR A 101 18.780 -7.280 -4.272 1.00 1.30 H new ATOM 0 HG1 THR A 101 18.871 -8.305 -1.825 1.00 1.73 H new ATOM 0 HG21 THR A 101 20.944 -6.217 -3.831 1.00 1.92 H new ATOM 0 HG22 THR A 101 19.634 -5.026 -4.014 1.00 1.92 H new ATOM 0 HG23 THR A 101 20.256 -5.424 -2.394 1.00 1.92 H new ATOM 1522 N ILE A 102 16.924 -4.177 -2.325 1.00 1.14 N ATOM 1523 CA ILE A 102 16.344 -2.909 -2.764 1.00 1.18 C ATOM 1524 C ILE A 102 17.301 -1.719 -2.676 1.00 1.22 C ATOM 1525 O ILE A 102 17.699 -1.262 -1.594 1.00 1.37 O ATOM 1526 CB ILE A 102 15.021 -2.614 -2.044 1.00 1.31 C ATOM 1527 CG1 ILE A 102 14.040 -3.759 -2.306 1.00 2.08 C ATOM 1528 CG2 ILE A 102 14.438 -1.296 -2.526 1.00 1.98 C ATOM 1529 CD1 ILE A 102 12.622 -3.479 -1.866 1.00 2.69 C ATOM 0 H ILE A 102 17.033 -4.273 -1.315 1.00 1.14 H new ATOM 0 HA ILE A 102 16.138 -3.041 -3.826 1.00 1.18 H new ATOM 0 HB ILE A 102 15.203 -2.532 -0.972 1.00 1.31 H new ATOM 0 HG12 ILE A 102 14.039 -3.983 -3.373 1.00 2.08 H new ATOM 0 HG13 ILE A 102 14.397 -4.652 -1.793 1.00 2.08 H new ATOM 0 HG21 ILE A 102 13.500 -1.101 -2.006 1.00 1.98 H new ATOM 0 HG22 ILE A 102 15.142 -0.490 -2.319 1.00 1.98 H new ATOM 0 HG23 ILE A 102 14.253 -1.350 -3.599 1.00 1.98 H new ATOM 0 HD11 ILE A 102 11.995 -4.342 -2.089 1.00 2.69 H new ATOM 0 HD12 ILE A 102 12.605 -3.286 -0.793 1.00 2.69 H new ATOM 0 HD13 ILE A 102 12.242 -2.607 -2.398 1.00 2.69 H new ATOM 1541 N THR A 103 17.582 -1.163 -3.829 1.00 1.15 N ATOM 1542 CA THR A 103 18.546 -0.100 -3.956 1.00 1.20 C ATOM 1543 C THR A 103 17.929 1.075 -4.712 1.00 1.08 C ATOM 1544 O THR A 103 17.253 0.886 -5.723 1.00 1.05 O ATOM 1545 CB THR A 103 19.859 -0.574 -4.626 1.00 1.39 C ATOM 1546 OG1 THR A 103 20.825 0.485 -4.617 1.00 1.58 O ATOM 1547 CG2 THR A 103 19.629 -1.046 -6.053 1.00 1.57 C ATOM 0 H THR A 103 17.146 -1.437 -4.709 1.00 1.15 H new ATOM 0 HA THR A 103 18.815 0.228 -2.952 1.00 1.20 H new ATOM 0 HB THR A 103 20.234 -1.420 -4.050 1.00 1.39 H new ATOM 0 HG1 THR A 103 21.653 0.176 -5.041 1.00 1.58 H new ATOM 0 HG21 THR A 103 20.575 -1.370 -6.486 1.00 1.57 H new ATOM 0 HG22 THR A 103 18.927 -1.879 -6.052 1.00 1.57 H new ATOM 0 HG23 THR A 103 19.220 -0.228 -6.645 1.00 1.57 H new ATOM 1555 N GLY A 104 18.188 2.271 -4.188 1.00 1.08 N ATOM 1556 CA GLY A 104 17.525 3.520 -4.572 1.00 1.03 C ATOM 1557 C GLY A 104 16.115 3.425 -5.150 1.00 0.92 C ATOM 1558 O GLY A 104 15.165 3.674 -4.426 1.00 0.84 O ATOM 0 H GLY A 104 18.889 2.404 -3.459 1.00 1.08 H new ATOM 0 HA2 GLY A 104 17.485 4.163 -3.693 1.00 1.03 H new ATOM 0 HA3 GLY A 104 18.155 4.023 -5.306 1.00 1.03 H new ATOM 1562 N SER A 105 15.967 3.079 -6.420 1.00 0.96 N ATOM 1563 CA SER A 105 14.735 3.353 -7.173 1.00 0.92 C ATOM 1564 C SER A 105 13.487 2.607 -6.677 1.00 0.81 C ATOM 1565 O SER A 105 12.364 3.047 -6.935 1.00 0.77 O ATOM 1566 CB SER A 105 14.965 3.030 -8.650 1.00 1.05 C ATOM 1567 OG SER A 105 15.490 1.718 -8.807 1.00 1.47 O ATOM 0 H SER A 105 16.688 2.603 -6.962 1.00 0.96 H new ATOM 0 HA SER A 105 14.524 4.411 -7.017 1.00 0.92 H new ATOM 0 HB2 SER A 105 14.026 3.118 -9.196 1.00 1.05 H new ATOM 0 HB3 SER A 105 15.654 3.756 -9.082 1.00 1.05 H new ATOM 0 HG SER A 105 14.765 1.064 -8.726 1.00 1.47 H new ATOM 1573 N GLU A 106 13.652 1.506 -5.961 1.00 0.79 N ATOM 1574 CA GLU A 106 12.501 0.703 -5.549 1.00 0.72 C ATOM 1575 C GLU A 106 11.843 1.316 -4.304 1.00 0.56 C ATOM 1576 O GLU A 106 10.891 0.771 -3.746 1.00 0.51 O ATOM 1577 CB GLU A 106 12.927 -0.738 -5.270 1.00 0.82 C ATOM 1578 CG GLU A 106 14.067 -1.235 -6.151 1.00 1.28 C ATOM 1579 CD GLU A 106 13.693 -1.365 -7.613 1.00 1.74 C ATOM 1580 OE1 GLU A 106 13.787 -0.359 -8.350 1.00 2.11 O ATOM 1581 OE2 GLU A 106 13.333 -2.481 -8.035 1.00 2.39 O ATOM 0 H GLU A 106 14.556 1.148 -5.654 1.00 0.79 H new ATOM 0 HA GLU A 106 11.774 0.697 -6.361 1.00 0.72 H new ATOM 0 HB2 GLU A 106 13.228 -0.820 -4.226 1.00 0.82 H new ATOM 0 HB3 GLU A 106 12.066 -1.392 -5.406 1.00 0.82 H new ATOM 0 HG2 GLU A 106 14.910 -0.550 -6.060 1.00 1.28 H new ATOM 0 HG3 GLU A 106 14.403 -2.205 -5.783 1.00 1.28 H new ATOM 1588 N THR A 107 12.357 2.473 -3.908 1.00 0.55 N ATOM 1589 CA THR A 107 12.008 3.141 -2.677 1.00 0.49 C ATOM 1590 C THR A 107 10.597 3.706 -2.730 1.00 0.37 C ATOM 1591 O THR A 107 10.085 4.192 -1.734 1.00 0.38 O ATOM 1592 CB THR A 107 13.006 4.284 -2.369 1.00 0.62 C ATOM 1593 OG1 THR A 107 12.823 4.764 -1.033 1.00 1.41 O ATOM 1594 CG2 THR A 107 12.833 5.441 -3.348 1.00 1.27 C ATOM 0 H THR A 107 13.049 2.982 -4.457 1.00 0.55 H new ATOM 0 HA THR A 107 12.056 2.395 -1.883 1.00 0.49 H new ATOM 0 HB THR A 107 14.013 3.880 -2.474 1.00 0.62 H new ATOM 0 HG1 THR A 107 13.462 5.485 -0.854 1.00 1.41 H new ATOM 0 HG21 THR A 107 13.546 6.230 -3.109 1.00 1.27 H new ATOM 0 HG22 THR A 107 13.010 5.088 -4.364 1.00 1.27 H new ATOM 0 HG23 THR A 107 11.819 5.833 -3.272 1.00 1.27 H new ATOM 1602 N ASN A 108 9.978 3.686 -3.898 1.00 0.34 N ATOM 1603 CA ASN A 108 8.625 4.128 -4.019 1.00 0.29 C ATOM 1604 C ASN A 108 7.705 3.172 -3.284 1.00 0.25 C ATOM 1605 O ASN A 108 6.661 3.564 -2.779 1.00 0.27 O ATOM 1606 CB ASN A 108 8.288 4.230 -5.503 1.00 0.40 C ATOM 1607 CG ASN A 108 9.257 5.170 -6.208 1.00 0.58 C ATOM 1608 OD1 ASN A 108 9.705 6.153 -5.624 1.00 1.39 O ATOM 1609 ND2 ASN A 108 9.606 4.868 -7.445 1.00 1.22 N ATOM 0 H ASN A 108 10.402 3.366 -4.769 1.00 0.34 H new ATOM 0 HA ASN A 108 8.490 5.110 -3.565 1.00 0.29 H new ATOM 0 HB2 ASN A 108 8.333 3.242 -5.961 1.00 0.40 H new ATOM 0 HB3 ASN A 108 7.267 4.592 -5.626 1.00 0.40 H new ATOM 0 HD21 ASN A 108 10.268 5.460 -7.947 1.00 1.22 H new ATOM 0 HD22 ASN A 108 9.213 4.043 -7.899 1.00 1.22 H new ATOM 1616 N LEU A 109 8.120 1.911 -3.237 1.00 0.25 N ATOM 1617 CA LEU A 109 7.328 0.858 -2.626 1.00 0.26 C ATOM 1618 C LEU A 109 7.645 0.638 -1.139 1.00 0.21 C ATOM 1619 O LEU A 109 7.550 -0.494 -0.664 1.00 0.23 O ATOM 1620 CB LEU A 109 7.616 -0.431 -3.392 1.00 0.41 C ATOM 1621 CG LEU A 109 6.768 -1.647 -3.037 1.00 0.54 C ATOM 1622 CD1 LEU A 109 5.343 -1.463 -3.519 1.00 0.83 C ATOM 1623 CD2 LEU A 109 7.396 -2.882 -3.650 1.00 0.95 C ATOM 0 H LEU A 109 9.011 1.594 -3.620 1.00 0.25 H new ATOM 0 HA LEU A 109 6.279 1.151 -2.677 1.00 0.26 H new ATOM 0 HB2 LEU A 109 7.491 -0.229 -4.456 1.00 0.41 H new ATOM 0 HB3 LEU A 109 8.663 -0.691 -3.238 1.00 0.41 H new ATOM 0 HG LEU A 109 6.733 -1.765 -1.954 1.00 0.54 H new ATOM 0 HD11 LEU A 109 4.754 -2.341 -3.256 1.00 0.83 H new ATOM 0 HD12 LEU A 109 4.910 -0.581 -3.047 1.00 0.83 H new ATOM 0 HD13 LEU A 109 5.339 -1.334 -4.601 1.00 0.83 H new ATOM 0 HD21 LEU A 109 6.796 -3.757 -3.401 1.00 0.95 H new ATOM 0 HD22 LEU A 109 7.440 -2.768 -4.733 1.00 0.95 H new ATOM 0 HD23 LEU A 109 8.405 -3.010 -3.257 1.00 0.95 H new ATOM 1635 N LEU A 110 7.962 1.680 -0.377 1.00 0.20 N ATOM 1636 CA LEU A 110 8.083 1.481 1.056 1.00 0.21 C ATOM 1637 C LEU A 110 6.849 1.985 1.789 1.00 0.23 C ATOM 1638 O LEU A 110 6.308 3.045 1.470 1.00 0.31 O ATOM 1639 CB LEU A 110 9.367 2.108 1.631 1.00 0.28 C ATOM 1640 CG LEU A 110 9.919 3.351 0.935 1.00 0.81 C ATOM 1641 CD1 LEU A 110 8.960 4.522 1.065 1.00 1.71 C ATOM 1642 CD2 LEU A 110 11.274 3.704 1.526 1.00 1.64 C ATOM 0 H LEU A 110 8.132 2.629 -0.711 1.00 0.20 H new ATOM 0 HA LEU A 110 8.158 0.406 1.218 1.00 0.21 H new ATOM 0 HB2 LEU A 110 9.179 2.362 2.674 1.00 0.28 H new ATOM 0 HB3 LEU A 110 10.146 1.345 1.624 1.00 0.28 H new ATOM 0 HG LEU A 110 10.034 3.135 -0.127 1.00 0.81 H new ATOM 0 HD11 LEU A 110 9.379 5.393 0.560 1.00 1.71 H new ATOM 0 HD12 LEU A 110 8.005 4.262 0.609 1.00 1.71 H new ATOM 0 HD13 LEU A 110 8.808 4.752 2.119 1.00 1.71 H new ATOM 0 HD21 LEU A 110 11.668 4.591 1.029 1.00 1.64 H new ATOM 0 HD22 LEU A 110 11.165 3.903 2.592 1.00 1.64 H new ATOM 0 HD23 LEU A 110 11.962 2.871 1.381 1.00 1.64 H new ATOM 1654 N PHE A 111 6.427 1.225 2.789 1.00 0.22 N ATOM 1655 CA PHE A 111 5.225 1.549 3.552 1.00 0.25 C ATOM 1656 C PHE A 111 5.400 1.211 5.022 1.00 0.23 C ATOM 1657 O PHE A 111 5.719 0.078 5.374 1.00 0.27 O ATOM 1658 CB PHE A 111 4.013 0.802 2.989 1.00 0.42 C ATOM 1659 CG PHE A 111 3.829 1.018 1.521 1.00 0.91 C ATOM 1660 CD1 PHE A 111 3.273 2.189 1.046 1.00 1.64 C ATOM 1661 CD2 PHE A 111 4.246 0.062 0.615 1.00 1.18 C ATOM 1662 CE1 PHE A 111 3.136 2.401 -0.307 1.00 2.38 C ATOM 1663 CE2 PHE A 111 4.109 0.267 -0.737 1.00 1.90 C ATOM 1664 CZ PHE A 111 3.556 1.439 -1.198 1.00 2.46 C ATOM 0 H PHE A 111 6.900 0.375 3.094 1.00 0.22 H new ATOM 0 HA PHE A 111 5.056 2.622 3.462 1.00 0.25 H new ATOM 0 HB2 PHE A 111 4.127 -0.264 3.183 1.00 0.42 H new ATOM 0 HB3 PHE A 111 3.115 1.127 3.515 1.00 0.42 H new ATOM 0 HD1 PHE A 111 2.943 2.946 1.742 1.00 1.64 H new ATOM 0 HD2 PHE A 111 4.685 -0.857 0.973 1.00 1.18 H new ATOM 0 HE1 PHE A 111 2.700 3.320 -0.669 1.00 2.38 H new ATOM 0 HE2 PHE A 111 4.435 -0.490 -1.435 1.00 1.90 H new ATOM 0 HZ PHE A 111 3.451 1.605 -2.260 1.00 2.46 H new ATOM 1674 N PHE A 112 5.219 2.209 5.870 1.00 0.21 N ATOM 1675 CA PHE A 112 5.311 2.016 7.314 1.00 0.25 C ATOM 1676 C PHE A 112 3.983 1.529 7.847 1.00 0.25 C ATOM 1677 O PHE A 112 3.023 2.290 7.945 1.00 0.26 O ATOM 1678 CB PHE A 112 5.727 3.294 8.048 1.00 0.30 C ATOM 1679 CG PHE A 112 5.565 3.200 9.545 1.00 0.57 C ATOM 1680 CD1 PHE A 112 6.037 2.097 10.242 1.00 0.79 C ATOM 1681 CD2 PHE A 112 4.926 4.208 10.250 1.00 0.95 C ATOM 1682 CE1 PHE A 112 5.878 2.004 11.612 1.00 1.21 C ATOM 1683 CE2 PHE A 112 4.765 4.120 11.620 1.00 1.43 C ATOM 1684 CZ PHE A 112 5.242 3.017 12.300 1.00 1.50 C ATOM 0 H PHE A 112 5.007 3.165 5.586 1.00 0.21 H new ATOM 0 HA PHE A 112 6.085 1.271 7.496 1.00 0.25 H new ATOM 0 HB2 PHE A 112 6.768 3.516 7.815 1.00 0.30 H new ATOM 0 HB3 PHE A 112 5.132 4.128 7.676 1.00 0.30 H new ATOM 0 HD1 PHE A 112 6.535 1.301 9.708 1.00 0.79 H new ATOM 0 HD2 PHE A 112 4.550 5.072 9.723 1.00 0.95 H new ATOM 0 HE1 PHE A 112 6.251 1.140 12.143 1.00 1.21 H new ATOM 0 HE2 PHE A 112 4.267 4.913 12.158 1.00 1.43 H new ATOM 0 HZ PHE A 112 5.117 2.947 13.370 1.00 1.50 H new ATOM 1694 N TRP A 113 3.946 0.262 8.189 1.00 0.31 N ATOM 1695 CA TRP A 113 2.698 -0.394 8.536 1.00 0.35 C ATOM 1696 C TRP A 113 2.467 -0.349 10.044 1.00 0.33 C ATOM 1697 O TRP A 113 3.115 -1.060 10.812 1.00 0.37 O ATOM 1698 CB TRP A 113 2.757 -1.845 8.040 1.00 0.48 C ATOM 1699 CG TRP A 113 1.496 -2.631 8.241 1.00 1.08 C ATOM 1700 CD1 TRP A 113 0.221 -2.211 8.003 1.00 2.30 C ATOM 1701 CD2 TRP A 113 1.394 -3.989 8.690 1.00 1.17 C ATOM 1702 NE1 TRP A 113 -0.668 -3.221 8.284 1.00 3.02 N ATOM 1703 CE2 TRP A 113 0.028 -4.320 8.709 1.00 2.29 C ATOM 1704 CE3 TRP A 113 2.327 -4.954 9.084 1.00 1.12 C ATOM 1705 CZ2 TRP A 113 -0.429 -5.577 9.100 1.00 2.67 C ATOM 1706 CZ3 TRP A 113 1.873 -6.200 9.473 1.00 1.47 C ATOM 1707 CH2 TRP A 113 0.506 -6.501 9.480 1.00 2.02 C ATOM 0 H TRP A 113 4.768 -0.341 8.236 1.00 0.31 H new ATOM 0 HA TRP A 113 1.865 0.124 8.061 1.00 0.35 H new ATOM 0 HB2 TRP A 113 3.000 -1.841 6.978 1.00 0.48 H new ATOM 0 HB3 TRP A 113 3.572 -2.356 8.552 1.00 0.48 H new ATOM 0 HD1 TRP A 113 -0.051 -1.229 7.646 1.00 2.30 H new ATOM 0 HE1 TRP A 113 -1.682 -3.161 8.191 1.00 3.02 H new ATOM 0 HE3 TRP A 113 3.383 -4.729 9.084 1.00 1.12 H new ATOM 0 HZ2 TRP A 113 -1.483 -5.813 9.103 1.00 2.67 H new ATOM 0 HZ3 TRP A 113 2.584 -6.954 9.777 1.00 1.47 H new ATOM 0 HH2 TRP A 113 0.182 -7.483 9.792 1.00 2.02 H new ATOM 1718 N GLU A 114 1.537 0.506 10.450 1.00 0.32 N ATOM 1719 CA GLU A 114 1.129 0.618 11.848 1.00 0.37 C ATOM 1720 C GLU A 114 -0.228 -0.047 12.033 1.00 0.39 C ATOM 1721 O GLU A 114 -1.237 0.478 11.575 1.00 0.42 O ATOM 1722 CB GLU A 114 1.085 2.097 12.269 1.00 0.43 C ATOM 1723 CG GLU A 114 0.840 2.328 13.757 1.00 0.96 C ATOM 1724 CD GLU A 114 -0.631 2.374 14.123 1.00 1.50 C ATOM 1725 OE1 GLU A 114 -1.227 3.467 14.061 1.00 1.90 O ATOM 1726 OE2 GLU A 114 -1.201 1.323 14.468 1.00 2.32 O ATOM 0 H GLU A 114 1.044 1.141 9.822 1.00 0.32 H new ATOM 0 HA GLU A 114 1.854 0.111 12.484 1.00 0.37 H new ATOM 0 HB2 GLU A 114 2.028 2.568 11.992 1.00 0.43 H new ATOM 0 HB3 GLU A 114 0.300 2.599 11.703 1.00 0.43 H new ATOM 0 HG2 GLU A 114 1.324 1.534 14.325 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.311 3.265 14.054 1.00 0.96 H new ATOM 1733 N THR A 115 -0.255 -1.190 12.703 1.00 0.47 N ATOM 1734 CA THR A 115 -1.474 -1.985 12.800 1.00 0.49 C ATOM 1735 C THR A 115 -2.196 -1.761 14.127 1.00 0.52 C ATOM 1736 O THR A 115 -1.623 -1.969 15.196 1.00 0.64 O ATOM 1737 CB THR A 115 -1.149 -3.481 12.668 1.00 0.67 C ATOM 1738 OG1 THR A 115 -0.100 -3.666 11.706 1.00 1.38 O ATOM 1739 CG2 THR A 115 -2.379 -4.268 12.240 1.00 1.39 C ATOM 0 H THR A 115 0.550 -1.588 13.187 1.00 0.47 H new ATOM 0 HA THR A 115 -2.126 -1.665 11.987 1.00 0.49 H new ATOM 0 HB THR A 115 -0.824 -3.849 13.641 1.00 0.67 H new ATOM 0 HG1 THR A 115 -0.480 -4.008 10.870 1.00 1.38 H new ATOM 0 HG21 THR A 115 -2.123 -5.324 12.154 1.00 1.39 H new ATOM 0 HG22 THR A 115 -3.167 -4.145 12.983 1.00 1.39 H new ATOM 0 HG23 THR A 115 -2.729 -3.899 11.276 1.00 1.39 H new ATOM 1747 N HIS A 116 -3.456 -1.343 14.050 1.00 0.47 N ATOM 1748 CA HIS A 116 -4.283 -1.165 15.238 1.00 0.56 C ATOM 1749 C HIS A 116 -5.645 -1.832 15.055 1.00 0.56 C ATOM 1750 O HIS A 116 -6.558 -1.261 14.457 1.00 0.55 O ATOM 1751 CB HIS A 116 -4.446 0.330 15.572 1.00 0.66 C ATOM 1752 CG HIS A 116 -4.708 1.211 14.381 1.00 1.29 C ATOM 1753 ND1 HIS A 116 -3.697 1.772 13.637 1.00 1.88 N ATOM 1754 CD2 HIS A 116 -5.865 1.623 13.808 1.00 2.27 C ATOM 1755 CE1 HIS A 116 -4.215 2.485 12.656 1.00 2.63 C ATOM 1756 NE2 HIS A 116 -5.528 2.415 12.734 1.00 2.89 N ATOM 0 H HIS A 116 -3.928 -1.121 13.173 1.00 0.47 H new ATOM 0 HA HIS A 116 -3.780 -1.646 16.077 1.00 0.56 H new ATOM 0 HB2 HIS A 116 -5.267 0.444 16.280 1.00 0.66 H new ATOM 0 HB3 HIS A 116 -3.543 0.678 16.073 1.00 0.66 H new ATOM 0 HD2 HIS A 116 -6.865 1.376 14.133 1.00 2.27 H new ATOM 0 HE1 HIS A 116 -3.656 3.034 11.913 1.00 2.63 H new ATOM 0 HE2 HIS A 116 -6.186 2.872 12.103 1.00 2.89 H new ATOM 1765 N GLY A 117 -5.770 -3.041 15.580 1.00 0.64 N ATOM 1766 CA GLY A 117 -7.016 -3.777 15.480 1.00 0.71 C ATOM 1767 C GLY A 117 -7.249 -4.305 14.081 1.00 0.69 C ATOM 1768 O GLY A 117 -6.610 -5.273 13.661 1.00 0.74 O ATOM 0 H GLY A 117 -5.026 -3.530 16.077 1.00 0.64 H new ATOM 0 HA2 GLY A 117 -7.004 -4.609 16.185 1.00 0.71 H new ATOM 0 HA3 GLY A 117 -7.844 -3.129 15.766 1.00 0.71 H new ATOM 1772 N THR A 118 -8.154 -3.664 13.359 1.00 0.66 N ATOM 1773 CA THR A 118 -8.414 -4.013 11.973 1.00 0.69 C ATOM 1774 C THR A 118 -7.777 -2.983 11.045 1.00 0.56 C ATOM 1775 O THR A 118 -7.134 -3.328 10.059 1.00 0.57 O ATOM 1776 CB THR A 118 -9.928 -4.108 11.695 1.00 0.81 C ATOM 1777 OG1 THR A 118 -10.589 -2.922 12.160 1.00 1.60 O ATOM 1778 CG2 THR A 118 -10.529 -5.328 12.375 1.00 1.39 C ATOM 0 H THR A 118 -8.723 -2.895 13.713 1.00 0.66 H new ATOM 0 HA THR A 118 -7.973 -4.991 11.783 1.00 0.69 H new ATOM 0 HB THR A 118 -10.070 -4.205 10.619 1.00 0.81 H new ATOM 0 HG1 THR A 118 -10.872 -2.383 11.392 1.00 1.60 H new ATOM 0 HG21 THR A 118 -11.597 -5.373 12.164 1.00 1.39 H new ATOM 0 HG22 THR A 118 -10.046 -6.230 11.998 1.00 1.39 H new ATOM 0 HG23 THR A 118 -10.375 -5.257 13.452 1.00 1.39 H new ATOM 1786 N LYS A 119 -7.921 -1.718 11.402 1.00 0.50 N ATOM 1787 CA LYS A 119 -7.363 -0.621 10.621 1.00 0.41 C ATOM 1788 C LYS A 119 -5.854 -0.518 10.912 1.00 0.35 C ATOM 1789 O LYS A 119 -5.357 -1.010 11.926 1.00 0.40 O ATOM 1790 CB LYS A 119 -8.045 0.687 11.033 1.00 0.46 C ATOM 1791 CG LYS A 119 -9.564 0.618 11.042 1.00 0.98 C ATOM 1792 CD LYS A 119 -10.177 1.868 11.652 1.00 1.36 C ATOM 1793 CE LYS A 119 -11.690 1.754 11.752 1.00 1.79 C ATOM 1794 NZ LYS A 119 -12.296 2.948 12.399 1.00 2.49 N ATOM 0 H LYS A 119 -8.425 -1.421 12.237 1.00 0.50 H new ATOM 0 HA LYS A 119 -7.525 -0.801 9.558 1.00 0.41 H new ATOM 0 HB2 LYS A 119 -7.699 0.967 12.028 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -7.732 1.478 10.352 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -9.929 0.493 10.023 1.00 0.98 H new ATOM 0 HG3 LYS A 119 -9.886 -0.258 11.605 1.00 0.98 H new ATOM 0 HD2 LYS A 119 -9.757 2.034 12.644 1.00 1.36 H new ATOM 0 HD3 LYS A 119 -9.916 2.736 11.046 1.00 1.36 H new ATOM 0 HE2 LYS A 119 -12.111 1.629 10.754 1.00 1.79 H new ATOM 0 HE3 LYS A 119 -11.950 0.862 12.322 1.00 1.79 H new ATOM 0 HZ1 LYS A 119 -13.303 2.768 12.586 1.00 2.49 H new ATOM 0 HZ2 LYS A 119 -11.807 3.143 13.296 1.00 2.49 H new ATOM 0 HZ3 LYS A 119 -12.203 3.770 11.768 1.00 2.49 H new ATOM 1808 N ASN A 120 -5.150 0.105 10.005 1.00 0.30 N ATOM 1809 CA ASN A 120 -3.711 0.302 10.079 1.00 0.28 C ATOM 1810 C ASN A 120 -3.302 1.451 9.151 1.00 0.28 C ATOM 1811 O ASN A 120 -4.030 1.775 8.219 1.00 0.32 O ATOM 1812 CB ASN A 120 -2.975 -0.995 9.707 1.00 0.36 C ATOM 1813 CG ASN A 120 -3.396 -1.566 8.367 1.00 1.26 C ATOM 1814 OD1 ASN A 120 -2.848 -1.217 7.330 1.00 2.08 O ATOM 1815 ND2 ASN A 120 -4.361 -2.474 8.385 1.00 2.07 N ATOM 0 H ASN A 120 -5.567 0.505 9.165 1.00 0.30 H new ATOM 0 HA ASN A 120 -3.434 0.563 11.100 1.00 0.28 H new ATOM 0 HB2 ASN A 120 -1.902 -0.803 9.690 1.00 0.36 H new ATOM 0 HB3 ASN A 120 -3.153 -1.740 10.483 1.00 0.36 H new ATOM 0 HD21 ASN A 120 -4.670 -2.907 7.515 1.00 2.07 H new ATOM 0 HD22 ASN A 120 -4.795 -2.740 9.269 1.00 2.07 H new ATOM 1822 N TYR A 121 -2.154 2.071 9.415 1.00 0.31 N ATOM 1823 CA TYR A 121 -1.669 3.189 8.592 1.00 0.37 C ATOM 1824 C TYR A 121 -0.457 2.770 7.766 1.00 0.30 C ATOM 1825 O TYR A 121 0.199 1.777 8.091 1.00 0.34 O ATOM 1826 CB TYR A 121 -1.269 4.382 9.468 1.00 0.66 C ATOM 1827 CG TYR A 121 -2.408 5.017 10.233 1.00 1.06 C ATOM 1828 CD1 TYR A 121 -3.499 5.555 9.571 1.00 1.41 C ATOM 1829 CD2 TYR A 121 -2.385 5.085 11.617 1.00 1.46 C ATOM 1830 CE1 TYR A 121 -4.540 6.138 10.262 1.00 2.01 C ATOM 1831 CE2 TYR A 121 -3.423 5.668 12.320 1.00 1.98 C ATOM 1832 CZ TYR A 121 -4.498 6.191 11.636 1.00 2.23 C ATOM 1833 OH TYR A 121 -5.539 6.764 12.332 1.00 2.84 O ATOM 0 H TYR A 121 -1.539 1.822 10.190 1.00 0.31 H new ATOM 0 HA TYR A 121 -2.485 3.478 7.929 1.00 0.37 H new ATOM 0 HB2 TYR A 121 -0.510 4.055 10.179 1.00 0.66 H new ATOM 0 HB3 TYR A 121 -0.807 5.140 8.836 1.00 0.66 H new ATOM 0 HD1 TYR A 121 -3.535 5.517 8.492 1.00 1.41 H new ATOM 0 HD2 TYR A 121 -1.543 4.676 12.155 1.00 1.46 H new ATOM 0 HE1 TYR A 121 -5.383 6.551 9.728 1.00 2.01 H new ATOM 0 HE2 TYR A 121 -3.391 5.713 13.399 1.00 1.98 H new ATOM 0 HH TYR A 121 -5.354 6.719 13.293 1.00 2.84 H new ATOM 1843 N PHE A 122 -0.152 3.533 6.706 1.00 0.30 N ATOM 1844 CA PHE A 122 1.055 3.327 5.931 1.00 0.29 C ATOM 1845 C PHE A 122 1.750 4.661 5.698 1.00 0.26 C ATOM 1846 O PHE A 122 1.392 5.406 4.798 1.00 0.32 O ATOM 1847 CB PHE A 122 0.747 2.682 4.575 1.00 0.34 C ATOM 1848 CG PHE A 122 0.235 1.273 4.653 1.00 1.05 C ATOM 1849 CD1 PHE A 122 1.114 0.212 4.793 1.00 1.45 C ATOM 1850 CD2 PHE A 122 -1.120 1.006 4.568 1.00 1.56 C ATOM 1851 CE1 PHE A 122 0.652 -1.087 4.850 1.00 2.18 C ATOM 1852 CE2 PHE A 122 -1.588 -0.291 4.621 1.00 2.27 C ATOM 1853 CZ PHE A 122 -0.703 -1.340 4.764 1.00 2.54 C ATOM 0 H PHE A 122 -0.736 4.300 6.374 1.00 0.30 H new ATOM 0 HA PHE A 122 1.703 2.656 6.495 1.00 0.29 H new ATOM 0 HB2 PHE A 122 0.009 3.294 4.056 1.00 0.34 H new ATOM 0 HB3 PHE A 122 1.653 2.692 3.969 1.00 0.34 H new ATOM 0 HD1 PHE A 122 2.175 0.404 4.858 1.00 1.45 H new ATOM 0 HD2 PHE A 122 -1.819 1.822 4.459 1.00 1.56 H new ATOM 0 HE1 PHE A 122 1.349 -1.905 4.962 1.00 2.18 H new ATOM 0 HE2 PHE A 122 -2.648 -0.485 4.550 1.00 2.27 H new ATOM 0 HZ PHE A 122 -1.069 -2.355 4.809 1.00 2.54 H new ATOM 1863 N THR A 123 2.752 4.941 6.497 1.00 0.22 N ATOM 1864 CA THR A 123 3.558 6.132 6.347 1.00 0.22 C ATOM 1865 C THR A 123 4.712 5.811 5.423 1.00 0.20 C ATOM 1866 O THR A 123 5.277 4.734 5.506 1.00 0.19 O ATOM 1867 CB THR A 123 4.125 6.546 7.716 1.00 0.24 C ATOM 1868 OG1 THR A 123 3.081 6.545 8.696 1.00 0.32 O ATOM 1869 CG2 THR A 123 4.767 7.923 7.655 1.00 0.33 C ATOM 0 H THR A 123 3.034 4.345 7.275 1.00 0.22 H new ATOM 0 HA THR A 123 2.951 6.942 5.943 1.00 0.22 H new ATOM 0 HB THR A 123 4.892 5.824 7.995 1.00 0.24 H new ATOM 0 HG1 THR A 123 2.345 7.115 8.390 1.00 0.32 H new ATOM 0 HG21 THR A 123 5.158 8.186 8.638 1.00 0.33 H new ATOM 0 HG22 THR A 123 5.582 7.913 6.931 1.00 0.33 H new ATOM 0 HG23 THR A 123 4.022 8.659 7.352 1.00 0.33 H new ATOM 1877 N SER A 124 5.064 6.702 4.525 1.00 0.21 N ATOM 1878 CA SER A 124 6.150 6.388 3.633 1.00 0.23 C ATOM 1879 C SER A 124 7.430 6.403 4.444 1.00 0.29 C ATOM 1880 O SER A 124 7.743 7.381 5.120 1.00 0.34 O ATOM 1881 CB SER A 124 6.218 7.382 2.475 1.00 0.26 C ATOM 1882 OG SER A 124 7.289 7.080 1.596 1.00 1.17 O ATOM 0 H SER A 124 4.632 7.617 4.396 1.00 0.21 H new ATOM 0 HA SER A 124 5.999 5.404 3.189 1.00 0.23 H new ATOM 0 HB2 SER A 124 5.278 7.366 1.924 1.00 0.26 H new ATOM 0 HB3 SER A 124 6.341 8.392 2.867 1.00 0.26 H new ATOM 0 HG SER A 124 7.306 7.732 0.865 1.00 1.17 H new ATOM 1888 N VAL A 125 8.146 5.293 4.405 1.00 0.33 N ATOM 1889 CA VAL A 125 9.307 5.115 5.248 1.00 0.43 C ATOM 1890 C VAL A 125 10.456 5.973 4.729 1.00 0.53 C ATOM 1891 O VAL A 125 11.367 6.332 5.474 1.00 0.65 O ATOM 1892 CB VAL A 125 9.684 3.608 5.336 1.00 0.48 C ATOM 1893 CG1 VAL A 125 11.138 3.398 5.736 1.00 0.81 C ATOM 1894 CG2 VAL A 125 8.775 2.905 6.326 1.00 0.47 C ATOM 0 H VAL A 125 7.940 4.501 3.796 1.00 0.33 H new ATOM 0 HA VAL A 125 9.082 5.446 6.262 1.00 0.43 H new ATOM 0 HB VAL A 125 9.553 3.183 4.341 1.00 0.48 H new ATOM 0 HG11 VAL A 125 11.352 2.330 5.784 1.00 0.81 H new ATOM 0 HG12 VAL A 125 11.790 3.866 4.998 1.00 0.81 H new ATOM 0 HG13 VAL A 125 11.315 3.847 6.713 1.00 0.81 H new ATOM 0 HG21 VAL A 125 9.045 1.850 6.382 1.00 0.47 H new ATOM 0 HG22 VAL A 125 8.886 3.361 7.310 1.00 0.47 H new ATOM 0 HG23 VAL A 125 7.740 2.998 5.998 1.00 0.47 H new ATOM 1904 N ALA A 126 10.376 6.344 3.459 1.00 0.53 N ATOM 1905 CA ALA A 126 11.326 7.299 2.901 1.00 0.63 C ATOM 1906 C ALA A 126 11.023 8.716 3.390 1.00 0.63 C ATOM 1907 O ALA A 126 11.916 9.434 3.832 1.00 0.72 O ATOM 1908 CB ALA A 126 11.296 7.255 1.382 1.00 0.68 C ATOM 0 H ALA A 126 9.673 6.004 2.802 1.00 0.53 H new ATOM 0 HA ALA A 126 12.323 7.021 3.242 1.00 0.63 H new ATOM 0 HB1 ALA A 126 12.011 7.974 0.983 1.00 0.68 H new ATOM 0 HB2 ALA A 126 11.560 6.254 1.042 1.00 0.68 H new ATOM 0 HB3 ALA A 126 10.295 7.505 1.030 1.00 0.68 H new ATOM 1914 N HIS A 127 9.753 9.104 3.311 1.00 0.56 N ATOM 1915 CA HIS A 127 9.295 10.410 3.751 1.00 0.58 C ATOM 1916 C HIS A 127 7.874 10.291 4.275 1.00 0.47 C ATOM 1917 O HIS A 127 6.958 10.034 3.506 1.00 0.44 O ATOM 1918 CB HIS A 127 9.301 11.428 2.601 1.00 0.72 C ATOM 1919 CG HIS A 127 10.612 12.117 2.358 1.00 1.15 C ATOM 1920 ND1 HIS A 127 10.954 12.651 1.136 1.00 1.70 N ATOM 1921 CD2 HIS A 127 11.644 12.395 3.188 1.00 1.99 C ATOM 1922 CE1 HIS A 127 12.141 13.219 1.221 1.00 2.29 C ATOM 1923 NE2 HIS A 127 12.585 13.085 2.457 1.00 2.47 N ATOM 0 H HIS A 127 9.011 8.513 2.936 1.00 0.56 H new ATOM 0 HA HIS A 127 9.974 10.757 4.530 1.00 0.58 H new ATOM 0 HB2 HIS A 127 9.003 10.918 1.685 1.00 0.72 H new ATOM 0 HB3 HIS A 127 8.544 12.185 2.805 1.00 0.72 H new ATOM 0 HD2 HIS A 127 11.716 12.125 4.231 1.00 1.99 H new ATOM 0 HE1 HIS A 127 12.663 13.712 0.414 1.00 2.29 H new ATOM 0 HE2 HIS A 127 13.476 13.434 2.811 1.00 2.47 H new ATOM 1932 N PRO A 128 7.682 10.458 5.578 1.00 0.47 N ATOM 1933 CA PRO A 128 6.366 10.640 6.208 1.00 0.43 C ATOM 1934 C PRO A 128 5.421 11.567 5.446 1.00 0.40 C ATOM 1935 O PRO A 128 4.210 11.372 5.470 1.00 0.39 O ATOM 1936 CB PRO A 128 6.745 11.280 7.507 1.00 0.53 C ATOM 1937 CG PRO A 128 7.986 10.570 7.891 1.00 0.79 C ATOM 1938 CD PRO A 128 8.752 10.434 6.600 1.00 0.60 C ATOM 0 HA PRO A 128 5.819 9.699 6.270 1.00 0.43 H new ATOM 0 HB2 PRO A 128 6.914 12.351 7.393 1.00 0.53 H new ATOM 0 HB3 PRO A 128 5.964 11.158 8.258 1.00 0.53 H new ATOM 0 HG2 PRO A 128 8.553 11.133 8.633 1.00 0.79 H new ATOM 0 HG3 PRO A 128 7.768 9.596 8.329 1.00 0.79 H new ATOM 0 HD2 PRO A 128 9.461 11.251 6.463 1.00 0.60 H new ATOM 0 HD3 PRO A 128 9.324 9.507 6.565 1.00 0.60 H new ATOM 1946 N ASN A 129 5.967 12.635 4.853 1.00 0.44 N ATOM 1947 CA ASN A 129 5.145 13.634 4.170 1.00 0.47 C ATOM 1948 C ASN A 129 4.453 13.017 2.953 1.00 0.39 C ATOM 1949 O ASN A 129 3.603 13.619 2.308 1.00 0.44 O ATOM 1950 CB ASN A 129 6.005 14.835 3.762 1.00 0.57 C ATOM 1951 CG ASN A 129 5.234 15.886 2.983 1.00 1.07 C ATOM 1952 OD1 ASN A 129 5.329 15.959 1.759 1.00 1.84 O ATOM 1953 ND2 ASN A 129 4.448 16.692 3.680 1.00 1.44 N ATOM 0 H ASN A 129 6.969 12.827 4.833 1.00 0.44 H new ATOM 0 HA ASN A 129 4.372 13.982 4.855 1.00 0.47 H new ATOM 0 HB2 ASN A 129 6.427 15.292 4.657 1.00 0.57 H new ATOM 0 HB3 ASN A 129 6.842 14.486 3.158 1.00 0.57 H new ATOM 0 HD21 ASN A 129 3.895 17.404 3.202 1.00 1.44 H new ATOM 0 HD22 ASN A 129 4.395 16.601 4.695 1.00 1.44 H new ATOM 1960 N LEU A 130 4.856 11.820 2.649 1.00 0.32 N ATOM 1961 CA LEU A 130 4.099 10.925 1.816 1.00 0.26 C ATOM 1962 C LEU A 130 3.352 9.992 2.766 1.00 0.24 C ATOM 1963 O LEU A 130 3.962 9.399 3.656 1.00 0.26 O ATOM 1964 CB LEU A 130 5.050 10.109 0.925 1.00 0.30 C ATOM 1965 CG LEU A 130 5.789 10.854 -0.204 1.00 0.58 C ATOM 1966 CD1 LEU A 130 6.408 12.164 0.262 1.00 1.38 C ATOM 1967 CD2 LEU A 130 6.880 9.963 -0.767 1.00 1.28 C ATOM 0 H LEU A 130 5.738 11.427 2.978 1.00 0.32 H new ATOM 0 HA LEU A 130 3.413 11.468 1.166 1.00 0.26 H new ATOM 0 HB2 LEU A 130 5.799 9.647 1.568 1.00 0.30 H new ATOM 0 HB3 LEU A 130 4.475 9.300 0.473 1.00 0.30 H new ATOM 0 HG LEU A 130 5.049 11.094 -0.968 1.00 0.58 H new ATOM 0 HD11 LEU A 130 6.915 12.645 -0.575 1.00 1.38 H new ATOM 0 HD12 LEU A 130 5.625 12.822 0.639 1.00 1.38 H new ATOM 0 HD13 LEU A 130 7.128 11.964 1.056 1.00 1.38 H new ATOM 0 HD21 LEU A 130 7.403 10.489 -1.566 1.00 1.28 H new ATOM 0 HD22 LEU A 130 7.586 9.709 0.023 1.00 1.28 H new ATOM 0 HD23 LEU A 130 6.436 9.050 -1.164 1.00 1.28 H new ATOM 1979 N PHE A 131 2.078 9.799 2.557 1.00 0.23 N ATOM 1980 CA PHE A 131 1.313 8.919 3.423 1.00 0.27 C ATOM 1981 C PHE A 131 0.180 8.325 2.612 1.00 0.26 C ATOM 1982 O PHE A 131 -0.479 9.030 1.850 1.00 0.26 O ATOM 1983 CB PHE A 131 0.796 9.711 4.639 1.00 0.42 C ATOM 1984 CG PHE A 131 0.533 8.908 5.886 1.00 0.36 C ATOM 1985 CD1 PHE A 131 -0.196 7.737 5.852 1.00 0.63 C ATOM 1986 CD2 PHE A 131 1.012 9.358 7.105 1.00 0.65 C ATOM 1987 CE1 PHE A 131 -0.443 7.023 7.010 1.00 0.97 C ATOM 1988 CE2 PHE A 131 0.771 8.651 8.266 1.00 0.96 C ATOM 1989 CZ PHE A 131 0.041 7.481 8.218 1.00 1.05 C ATOM 0 H PHE A 131 1.544 10.231 1.803 1.00 0.23 H new ATOM 0 HA PHE A 131 1.934 8.108 3.804 1.00 0.27 H new ATOM 0 HB2 PHE A 131 1.523 10.488 4.877 1.00 0.42 H new ATOM 0 HB3 PHE A 131 -0.127 10.215 4.354 1.00 0.42 H new ATOM 0 HD1 PHE A 131 -0.578 7.374 4.910 1.00 0.63 H new ATOM 0 HD2 PHE A 131 1.582 10.274 7.148 1.00 0.65 H new ATOM 0 HE1 PHE A 131 -1.014 6.107 6.969 1.00 0.97 H new ATOM 0 HE2 PHE A 131 1.153 9.013 9.209 1.00 0.96 H new ATOM 0 HZ PHE A 131 -0.151 6.925 9.124 1.00 1.05 H new ATOM 1999 N ILE A 132 -0.073 7.054 2.813 1.00 0.28 N ATOM 2000 CA ILE A 132 -0.916 6.298 1.924 1.00 0.27 C ATOM 2001 C ILE A 132 -2.367 6.434 2.357 1.00 0.25 C ATOM 2002 O ILE A 132 -2.827 5.796 3.301 1.00 0.32 O ATOM 2003 CB ILE A 132 -0.459 4.822 1.916 1.00 0.34 C ATOM 2004 CG1 ILE A 132 0.962 4.722 1.353 1.00 0.87 C ATOM 2005 CG2 ILE A 132 -1.411 3.956 1.104 1.00 0.80 C ATOM 2006 CD1 ILE A 132 1.101 5.245 -0.062 1.00 1.39 C ATOM 0 H ILE A 132 0.300 6.517 3.596 1.00 0.28 H new ATOM 0 HA ILE A 132 -0.833 6.684 0.908 1.00 0.27 H new ATOM 0 HB ILE A 132 -0.466 4.455 2.942 1.00 0.34 H new ATOM 0 HG12 ILE A 132 1.639 5.276 2.003 1.00 0.87 H new ATOM 0 HG13 ILE A 132 1.279 3.679 1.377 1.00 0.87 H new ATOM 0 HG21 ILE A 132 -1.064 2.923 1.117 1.00 0.80 H new ATOM 0 HG22 ILE A 132 -2.410 4.008 1.537 1.00 0.80 H new ATOM 0 HG23 ILE A 132 -1.443 4.316 0.076 1.00 0.80 H new ATOM 0 HD11 ILE A 132 2.135 5.140 -0.389 1.00 1.39 H new ATOM 0 HD12 ILE A 132 0.451 4.675 -0.726 1.00 1.39 H new ATOM 0 HD13 ILE A 132 0.817 6.297 -0.091 1.00 1.39 H new ATOM 2018 N ALA A 133 -3.057 7.298 1.638 1.00 0.22 N ATOM 2019 CA ALA A 133 -4.408 7.719 1.981 1.00 0.23 C ATOM 2020 C ALA A 133 -5.476 6.913 1.273 1.00 0.23 C ATOM 2021 O ALA A 133 -5.252 6.377 0.199 1.00 0.26 O ATOM 2022 CB ALA A 133 -4.570 9.185 1.646 1.00 0.25 C ATOM 0 H ALA A 133 -2.695 7.734 0.790 1.00 0.22 H new ATOM 0 HA ALA A 133 -4.541 7.548 3.049 1.00 0.23 H new ATOM 0 HB1 ALA A 133 -5.580 9.507 1.900 1.00 0.25 H new ATOM 0 HB2 ALA A 133 -3.848 9.770 2.216 1.00 0.25 H new ATOM 0 HB3 ALA A 133 -4.399 9.336 0.580 1.00 0.25 H new ATOM 2028 N THR A 134 -6.644 6.847 1.886 1.00 0.23 N ATOM 2029 CA THR A 134 -7.797 6.243 1.285 1.00 0.25 C ATOM 2030 C THR A 134 -8.954 7.210 1.348 1.00 0.26 C ATOM 2031 O THR A 134 -9.214 7.844 2.371 1.00 0.31 O ATOM 2032 CB THR A 134 -8.156 4.935 1.962 1.00 0.31 C ATOM 2033 OG1 THR A 134 -6.942 4.262 2.251 1.00 0.96 O ATOM 2034 CG2 THR A 134 -9.019 4.082 1.051 1.00 1.01 C ATOM 0 H THR A 134 -6.810 7.217 2.822 1.00 0.23 H new ATOM 0 HA THR A 134 -7.568 6.015 0.244 1.00 0.25 H new ATOM 0 HB THR A 134 -8.723 5.123 2.874 1.00 0.31 H new ATOM 0 HG1 THR A 134 -6.761 3.599 1.552 1.00 0.96 H new ATOM 0 HG21 THR A 134 -9.266 3.147 1.554 1.00 1.01 H new ATOM 0 HG22 THR A 134 -9.937 4.619 0.811 1.00 1.01 H new ATOM 0 HG23 THR A 134 -8.475 3.866 0.132 1.00 1.01 H new ATOM 2042 N LYS A 135 -9.575 7.377 0.225 1.00 0.28 N ATOM 2043 CA LYS A 135 -10.658 8.333 0.094 1.00 0.31 C ATOM 2044 C LYS A 135 -11.974 7.590 -0.084 1.00 0.40 C ATOM 2045 O LYS A 135 -12.022 6.533 -0.707 1.00 0.47 O ATOM 2046 CB LYS A 135 -10.393 9.275 -1.084 1.00 0.35 C ATOM 2047 CG LYS A 135 -8.998 9.899 -1.074 1.00 0.69 C ATOM 2048 CD LYS A 135 -9.007 11.392 -0.756 1.00 0.76 C ATOM 2049 CE LYS A 135 -7.627 12.003 -1.000 1.00 0.89 C ATOM 2050 NZ LYS A 135 -7.568 13.464 -0.704 1.00 0.63 N ATOM 0 H LYS A 135 -9.357 6.864 -0.630 1.00 0.28 H new ATOM 0 HA LYS A 135 -10.720 8.938 0.999 1.00 0.31 H new ATOM 0 HB2 LYS A 135 -10.528 8.724 -2.015 1.00 0.35 H new ATOM 0 HB3 LYS A 135 -11.137 10.071 -1.075 1.00 0.35 H new ATOM 0 HG2 LYS A 135 -8.381 9.382 -0.339 1.00 0.69 H new ATOM 0 HG3 LYS A 135 -8.531 9.745 -2.047 1.00 0.69 H new ATOM 0 HD2 LYS A 135 -9.749 11.897 -1.375 1.00 0.76 H new ATOM 0 HD3 LYS A 135 -9.300 11.546 0.282 1.00 0.76 H new ATOM 0 HE2 LYS A 135 -6.893 11.484 -0.383 1.00 0.89 H new ATOM 0 HE3 LYS A 135 -7.343 11.838 -2.039 1.00 0.89 H new ATOM 0 HZ1 LYS A 135 -6.950 13.934 -1.396 1.00 0.63 H new ATOM 0 HZ2 LYS A 135 -8.524 13.869 -0.763 1.00 0.63 H new ATOM 0 HZ3 LYS A 135 -7.189 13.609 0.254 1.00 0.63 H new ATOM 2064 N GLN A 136 -13.038 8.165 0.441 1.00 0.49 N ATOM 2065 CA GLN A 136 -14.361 7.565 0.356 1.00 0.63 C ATOM 2066 C GLN A 136 -15.006 7.830 -0.997 1.00 0.58 C ATOM 2067 O GLN A 136 -15.857 7.067 -1.453 1.00 0.69 O ATOM 2068 CB GLN A 136 -15.242 8.094 1.492 1.00 0.82 C ATOM 2069 CG GLN A 136 -16.657 7.542 1.496 1.00 1.05 C ATOM 2070 CD GLN A 136 -17.271 7.530 2.881 1.00 1.14 C ATOM 2071 OE1 GLN A 136 -18.478 7.696 3.037 1.00 1.75 O ATOM 2072 NE2 GLN A 136 -16.444 7.305 3.895 1.00 1.20 N ATOM 0 H GLN A 136 -13.014 9.056 0.936 1.00 0.49 H new ATOM 0 HA GLN A 136 -14.257 6.485 0.459 1.00 0.63 H new ATOM 0 HB2 GLN A 136 -14.769 7.855 2.444 1.00 0.82 H new ATOM 0 HB3 GLN A 136 -15.289 9.181 1.423 1.00 0.82 H new ATOM 0 HG2 GLN A 136 -17.279 8.141 0.831 1.00 1.05 H new ATOM 0 HG3 GLN A 136 -16.649 6.528 1.097 1.00 1.05 H new ATOM 0 HE21 GLN A 136 -15.448 7.172 3.721 1.00 1.20 H new ATOM 0 HE22 GLN A 136 -16.805 7.265 4.848 1.00 1.20 H new ATOM 2081 N ASP A 137 -14.615 8.921 -1.630 1.00 0.48 N ATOM 2082 CA ASP A 137 -15.233 9.332 -2.885 1.00 0.52 C ATOM 2083 C ASP A 137 -14.190 9.599 -3.967 1.00 0.47 C ATOM 2084 O ASP A 137 -14.439 9.390 -5.152 1.00 0.56 O ATOM 2085 CB ASP A 137 -16.081 10.588 -2.662 1.00 0.63 C ATOM 2086 CG ASP A 137 -16.940 10.934 -3.860 1.00 1.34 C ATOM 2087 OD1 ASP A 137 -17.956 10.240 -4.085 1.00 1.43 O ATOM 2088 OD2 ASP A 137 -16.611 11.899 -4.580 1.00 2.21 O ATOM 0 H ASP A 137 -13.874 9.540 -1.300 1.00 0.48 H new ATOM 0 HA ASP A 137 -15.868 8.514 -3.226 1.00 0.52 H new ATOM 0 HB2 ASP A 137 -16.721 10.440 -1.792 1.00 0.63 H new ATOM 0 HB3 ASP A 137 -15.425 11.429 -2.436 1.00 0.63 H new ATOM 2093 N TYR A 138 -13.022 10.066 -3.554 1.00 0.39 N ATOM 2094 CA TYR A 138 -11.993 10.486 -4.497 1.00 0.38 C ATOM 2095 C TYR A 138 -10.980 9.375 -4.731 1.00 0.32 C ATOM 2096 O TYR A 138 -11.119 8.274 -4.198 1.00 0.31 O ATOM 2097 CB TYR A 138 -11.295 11.756 -4.002 1.00 0.44 C ATOM 2098 CG TYR A 138 -12.258 12.882 -3.701 1.00 0.82 C ATOM 2099 CD1 TYR A 138 -13.096 13.386 -4.687 1.00 0.99 C ATOM 2100 CD2 TYR A 138 -12.339 13.429 -2.428 1.00 1.41 C ATOM 2101 CE1 TYR A 138 -13.989 14.403 -4.411 1.00 1.45 C ATOM 2102 CE2 TYR A 138 -13.228 14.448 -2.145 1.00 1.98 C ATOM 2103 CZ TYR A 138 -14.051 14.930 -3.138 1.00 1.94 C ATOM 2104 OH TYR A 138 -14.942 15.942 -2.856 1.00 2.50 O ATOM 0 H TYR A 138 -12.761 10.164 -2.573 1.00 0.39 H new ATOM 0 HA TYR A 138 -12.477 10.706 -5.448 1.00 0.38 H new ATOM 0 HB2 TYR A 138 -10.725 11.523 -3.103 1.00 0.44 H new ATOM 0 HB3 TYR A 138 -10.581 12.088 -4.755 1.00 0.44 H new ATOM 0 HD1 TYR A 138 -13.049 12.976 -5.685 1.00 0.99 H new ATOM 0 HD2 TYR A 138 -11.697 13.052 -1.646 1.00 1.41 H new ATOM 0 HE1 TYR A 138 -14.635 14.784 -5.188 1.00 1.45 H new ATOM 0 HE2 TYR A 138 -13.277 14.864 -1.150 1.00 1.98 H new ATOM 0 HH TYR A 138 -14.858 16.198 -1.914 1.00 2.50 H new ATOM 2114 N TRP A 139 -9.970 9.666 -5.537 1.00 0.34 N ATOM 2115 CA TRP A 139 -8.900 8.715 -5.798 1.00 0.33 C ATOM 2116 C TRP A 139 -8.000 8.574 -4.571 1.00 0.30 C ATOM 2117 O TRP A 139 -7.924 9.476 -3.739 1.00 0.32 O ATOM 2118 CB TRP A 139 -8.074 9.175 -7.006 1.00 0.40 C ATOM 2119 CG TRP A 139 -7.548 10.579 -6.884 1.00 1.19 C ATOM 2120 CD1 TRP A 139 -6.465 10.993 -6.160 1.00 2.40 C ATOM 2121 CD2 TRP A 139 -8.078 11.753 -7.513 1.00 1.47 C ATOM 2122 NE1 TRP A 139 -6.294 12.349 -6.298 1.00 3.09 N ATOM 2123 CE2 TRP A 139 -7.269 12.838 -7.125 1.00 2.48 C ATOM 2124 CE3 TRP A 139 -9.155 11.991 -8.370 1.00 1.75 C ATOM 2125 CZ2 TRP A 139 -7.509 14.139 -7.558 1.00 2.99 C ATOM 2126 CZ3 TRP A 139 -9.391 13.283 -8.801 1.00 2.37 C ATOM 2127 CH2 TRP A 139 -8.569 14.343 -8.397 1.00 2.74 C ATOM 0 H TRP A 139 -9.869 10.557 -6.023 1.00 0.34 H new ATOM 0 HA TRP A 139 -9.342 7.743 -6.018 1.00 0.33 H new ATOM 0 HB2 TRP A 139 -7.234 8.493 -7.141 1.00 0.40 H new ATOM 0 HB3 TRP A 139 -8.689 9.104 -7.903 1.00 0.40 H new ATOM 0 HD1 TRP A 139 -5.835 10.348 -5.566 1.00 2.40 H new ATOM 0 HE1 TRP A 139 -5.560 12.902 -5.856 1.00 3.09 H new ATOM 0 HE3 TRP A 139 -9.792 11.180 -8.690 1.00 1.75 H new ATOM 0 HZ2 TRP A 139 -6.880 14.958 -7.242 1.00 2.99 H new ATOM 0 HZ3 TRP A 139 -10.223 13.479 -9.461 1.00 2.37 H new ATOM 0 HH2 TRP A 139 -8.777 15.340 -8.755 1.00 2.74 H new ATOM 2138 N VAL A 140 -7.310 7.446 -4.482 1.00 0.30 N ATOM 2139 CA VAL A 140 -6.411 7.172 -3.373 1.00 0.33 C ATOM 2140 C VAL A 140 -5.185 8.068 -3.471 1.00 0.30 C ATOM 2141 O VAL A 140 -4.310 7.867 -4.313 1.00 0.32 O ATOM 2142 CB VAL A 140 -6.010 5.677 -3.369 1.00 0.44 C ATOM 2143 CG1 VAL A 140 -4.799 5.410 -2.490 1.00 1.58 C ATOM 2144 CG2 VAL A 140 -7.186 4.831 -2.910 1.00 1.28 C ATOM 0 H VAL A 140 -7.358 6.698 -5.174 1.00 0.30 H new ATOM 0 HA VAL A 140 -6.920 7.387 -2.433 1.00 0.33 H new ATOM 0 HB VAL A 140 -5.736 5.406 -4.388 1.00 0.44 H new ATOM 0 HG11 VAL A 140 -4.555 4.348 -2.519 1.00 1.58 H new ATOM 0 HG12 VAL A 140 -3.950 5.987 -2.856 1.00 1.58 H new ATOM 0 HG13 VAL A 140 -5.022 5.703 -1.464 1.00 1.58 H new ATOM 0 HG21 VAL A 140 -6.899 3.779 -2.909 1.00 1.28 H new ATOM 0 HG22 VAL A 140 -7.477 5.129 -1.903 1.00 1.28 H new ATOM 0 HG23 VAL A 140 -8.026 4.977 -3.589 1.00 1.28 H new ATOM 2154 N CYS A 141 -5.153 9.086 -2.625 1.00 0.30 N ATOM 2155 CA CYS A 141 -4.118 10.089 -2.709 1.00 0.26 C ATOM 2156 C CYS A 141 -3.082 9.911 -1.597 1.00 0.25 C ATOM 2157 O CYS A 141 -2.953 8.837 -1.011 1.00 0.29 O ATOM 2158 CB CYS A 141 -4.777 11.470 -2.628 1.00 0.33 C ATOM 2159 SG CYS A 141 -3.735 12.852 -3.144 1.00 1.21 S ATOM 0 H CYS A 141 -5.831 9.234 -1.878 1.00 0.30 H new ATOM 0 HA CYS A 141 -3.587 9.987 -3.655 1.00 0.26 H new ATOM 0 HB2 CYS A 141 -5.675 11.463 -3.246 1.00 0.33 H new ATOM 0 HB3 CYS A 141 -5.098 11.642 -1.601 1.00 0.33 H new ATOM 0 HG CYS A 141 -4.401 13.963 -3.033 1.00 1.21 H new ATOM 2165 N LEU A 142 -2.361 10.980 -1.330 1.00 0.21 N ATOM 2166 CA LEU A 142 -1.247 10.990 -0.422 1.00 0.23 C ATOM 2167 C LEU A 142 -1.325 12.279 0.385 1.00 0.24 C ATOM 2168 O LEU A 142 -2.014 13.211 -0.020 1.00 0.23 O ATOM 2169 CB LEU A 142 0.001 10.886 -1.311 1.00 0.21 C ATOM 2170 CG LEU A 142 1.297 10.438 -0.671 1.00 0.22 C ATOM 2171 CD1 LEU A 142 1.310 8.931 -0.486 1.00 0.23 C ATOM 2172 CD2 LEU A 142 2.475 10.872 -1.522 1.00 0.25 C ATOM 0 H LEU A 142 -2.544 11.889 -1.754 1.00 0.21 H new ATOM 0 HA LEU A 142 -1.232 10.173 0.299 1.00 0.23 H new ATOM 0 HB2 LEU A 142 -0.225 10.196 -2.124 1.00 0.21 H new ATOM 0 HB3 LEU A 142 0.172 11.864 -1.761 1.00 0.21 H new ATOM 0 HG LEU A 142 1.378 10.905 0.311 1.00 0.22 H new ATOM 0 HD11 LEU A 142 2.250 8.629 -0.024 1.00 0.23 H new ATOM 0 HD12 LEU A 142 0.480 8.636 0.156 1.00 0.23 H new ATOM 0 HD13 LEU A 142 1.209 8.444 -1.456 1.00 0.23 H new ATOM 0 HD21 LEU A 142 3.403 10.545 -1.053 1.00 0.25 H new ATOM 0 HD22 LEU A 142 2.392 10.425 -2.513 1.00 0.25 H new ATOM 0 HD23 LEU A 142 2.478 11.958 -1.613 1.00 0.25 H new ATOM 2184 N ALA A 143 -0.686 12.309 1.536 1.00 0.34 N ATOM 2185 CA ALA A 143 -0.486 13.545 2.282 1.00 0.33 C ATOM 2186 C ALA A 143 0.650 13.336 3.266 1.00 0.60 C ATOM 2187 O ALA A 143 1.077 12.219 3.464 1.00 0.91 O ATOM 2188 CB ALA A 143 -1.763 13.941 3.012 1.00 0.38 C ATOM 0 H ALA A 143 -0.290 11.483 1.984 1.00 0.34 H new ATOM 0 HA ALA A 143 -0.233 14.353 1.596 1.00 0.33 H new ATOM 0 HB1 ALA A 143 -1.595 14.866 3.564 1.00 0.38 H new ATOM 0 HB2 ALA A 143 -2.564 14.091 2.288 1.00 0.38 H new ATOM 0 HB3 ALA A 143 -2.045 13.150 3.707 1.00 0.38 H new ATOM 2194 N GLY A 144 1.178 14.397 3.850 1.00 0.63 N ATOM 2195 CA GLY A 144 2.249 14.217 4.824 1.00 0.93 C ATOM 2196 C GLY A 144 1.711 14.103 6.215 1.00 0.93 C ATOM 2197 O GLY A 144 2.347 14.458 7.207 1.00 1.13 O ATOM 0 H GLY A 144 0.898 15.363 3.678 1.00 0.63 H new ATOM 0 HA2 GLY A 144 2.819 13.321 4.578 1.00 0.93 H new ATOM 0 HA3 GLY A 144 2.939 15.059 4.767 1.00 0.93 H new ATOM 2201 N GLY A 145 0.524 13.581 6.243 1.00 0.94 N ATOM 2202 CA GLY A 145 -0.168 13.206 7.432 1.00 1.38 C ATOM 2203 C GLY A 145 -1.408 12.558 6.940 1.00 1.61 C ATOM 2204 O GLY A 145 -1.464 12.228 5.754 1.00 1.48 O ATOM 0 H GLY A 145 -0.012 13.397 5.395 1.00 0.94 H new ATOM 0 HA2 GLY A 145 0.425 12.522 8.039 1.00 1.38 H new ATOM 0 HA3 GLY A 145 -0.391 14.073 8.054 1.00 1.38 H new ATOM 2208 N PRO A 146 -2.430 12.344 7.731 1.00 2.13 N ATOM 2209 CA PRO A 146 -3.722 12.257 7.136 1.00 2.27 C ATOM 2210 C PRO A 146 -4.639 13.417 7.512 1.00 1.59 C ATOM 2211 O PRO A 146 -4.758 13.782 8.674 1.00 2.15 O ATOM 2212 CB PRO A 146 -4.223 10.971 7.796 1.00 3.57 C ATOM 2213 CG PRO A 146 -3.568 10.937 9.158 1.00 3.98 C ATOM 2214 CD PRO A 146 -2.441 11.951 9.136 1.00 2.93 C ATOM 0 HA PRO A 146 -3.700 12.276 6.046 1.00 2.27 H new ATOM 0 HB2 PRO A 146 -5.310 10.971 7.883 1.00 3.57 H new ATOM 0 HB3 PRO A 146 -3.950 10.095 7.207 1.00 3.57 H new ATOM 0 HG2 PRO A 146 -4.289 11.180 9.938 1.00 3.98 H new ATOM 0 HG3 PRO A 146 -3.185 9.940 9.377 1.00 3.98 H new ATOM 0 HD2 PRO A 146 -2.636 12.796 9.797 1.00 2.93 H new ATOM 0 HD3 PRO A 146 -1.492 11.516 9.448 1.00 2.93 H new ATOM 2222 N PRO A 147 -5.293 14.026 6.522 1.00 1.33 N ATOM 2223 CA PRO A 147 -6.681 14.381 6.640 1.00 1.05 C ATOM 2224 C PRO A 147 -7.478 13.510 5.680 1.00 0.70 C ATOM 2225 O PRO A 147 -8.709 13.463 5.715 1.00 0.86 O ATOM 2226 CB PRO A 147 -6.659 15.831 6.161 1.00 1.57 C ATOM 2227 CG PRO A 147 -5.537 15.896 5.153 1.00 2.12 C ATOM 2228 CD PRO A 147 -4.683 14.654 5.342 1.00 2.10 C ATOM 0 HA PRO A 147 -7.121 14.256 7.629 1.00 1.05 H new ATOM 0 HB2 PRO A 147 -7.611 16.111 5.710 1.00 1.57 H new ATOM 0 HB3 PRO A 147 -6.485 16.517 6.990 1.00 1.57 H new ATOM 0 HG2 PRO A 147 -5.934 15.938 4.139 1.00 2.12 H new ATOM 0 HG3 PRO A 147 -4.941 16.797 5.299 1.00 2.12 H new ATOM 0 HD2 PRO A 147 -4.719 14.000 4.470 1.00 2.10 H new ATOM 0 HD3 PRO A 147 -3.635 14.903 5.511 1.00 2.10 H new ATOM 2236 N SER A 148 -6.718 12.777 4.860 1.00 0.49 N ATOM 2237 CA SER A 148 -7.206 11.668 4.094 1.00 0.43 C ATOM 2238 C SER A 148 -7.192 10.449 4.985 1.00 0.37 C ATOM 2239 O SER A 148 -6.329 10.336 5.851 1.00 0.37 O ATOM 2240 CB SER A 148 -6.350 11.468 2.854 1.00 0.57 C ATOM 2241 OG SER A 148 -6.380 12.614 2.017 1.00 0.64 O ATOM 0 H SER A 148 -5.724 12.958 4.720 1.00 0.49 H new ATOM 0 HA SER A 148 -8.224 11.852 3.750 1.00 0.43 H new ATOM 0 HB2 SER A 148 -5.322 11.257 3.149 1.00 0.57 H new ATOM 0 HB3 SER A 148 -6.707 10.600 2.299 1.00 0.57 H new ATOM 0 HG SER A 148 -5.820 12.458 1.228 1.00 0.64 H new ATOM 2247 N ILE A 149 -8.120 9.552 4.812 1.00 0.37 N ATOM 2248 CA ILE A 149 -8.167 8.398 5.673 1.00 0.32 C ATOM 2249 C ILE A 149 -7.147 7.377 5.222 1.00 0.26 C ATOM 2250 O ILE A 149 -7.371 6.560 4.333 1.00 0.29 O ATOM 2251 CB ILE A 149 -9.563 7.779 5.770 1.00 0.35 C ATOM 2252 CG1 ILE A 149 -10.517 8.746 6.496 1.00 0.57 C ATOM 2253 CG2 ILE A 149 -9.507 6.454 6.517 1.00 0.56 C ATOM 2254 CD1 ILE A 149 -10.827 10.031 5.750 1.00 1.21 C ATOM 0 H ILE A 149 -8.845 9.592 4.096 1.00 0.37 H new ATOM 0 HA ILE A 149 -7.919 8.735 6.680 1.00 0.32 H new ATOM 0 HB ILE A 149 -9.933 7.597 4.761 1.00 0.35 H new ATOM 0 HG12 ILE A 149 -11.454 8.225 6.695 1.00 0.57 H new ATOM 0 HG13 ILE A 149 -10.083 9.002 7.463 1.00 0.57 H new ATOM 0 HG21 ILE A 149 -10.508 6.027 6.577 1.00 0.56 H new ATOM 0 HG22 ILE A 149 -8.850 5.765 5.986 1.00 0.56 H new ATOM 0 HG23 ILE A 149 -9.122 6.620 7.523 1.00 0.56 H new ATOM 0 HD11 ILE A 149 -11.506 10.642 6.345 1.00 1.21 H new ATOM 0 HD12 ILE A 149 -9.903 10.582 5.574 1.00 1.21 H new ATOM 0 HD13 ILE A 149 -11.295 9.793 4.795 1.00 1.21 H new ATOM 2266 N THR A 150 -6.006 7.462 5.851 1.00 0.24 N ATOM 2267 CA THR A 150 -4.884 6.638 5.521 1.00 0.25 C ATOM 2268 C THR A 150 -4.995 5.392 6.343 1.00 0.26 C ATOM 2269 O THR A 150 -4.018 4.841 6.811 1.00 0.34 O ATOM 2270 CB THR A 150 -3.558 7.369 5.866 1.00 0.28 C ATOM 2271 OG1 THR A 150 -3.607 7.844 7.220 1.00 0.53 O ATOM 2272 CG2 THR A 150 -3.330 8.559 4.947 1.00 0.69 C ATOM 0 H THR A 150 -5.831 8.114 6.615 1.00 0.24 H new ATOM 0 HA THR A 150 -4.879 6.410 4.455 1.00 0.25 H new ATOM 0 HB THR A 150 -2.742 6.658 5.737 1.00 0.28 H new ATOM 0 HG1 THR A 150 -3.538 7.085 7.836 1.00 0.53 H new ATOM 0 HG21 THR A 150 -2.394 9.050 5.213 1.00 0.69 H new ATOM 0 HG22 THR A 150 -3.279 8.216 3.914 1.00 0.69 H new ATOM 0 HG23 THR A 150 -4.154 9.265 5.055 1.00 0.69 H new ATOM 2280 N ASP A 151 -6.213 4.942 6.514 1.00 0.25 N ATOM 2281 CA ASP A 151 -6.426 3.710 7.153 1.00 0.25 C ATOM 2282 C ASP A 151 -6.555 2.657 6.115 1.00 0.26 C ATOM 2283 O ASP A 151 -6.953 2.909 4.997 1.00 0.27 O ATOM 2284 CB ASP A 151 -7.606 3.748 8.079 1.00 0.29 C ATOM 2285 CG ASP A 151 -7.236 4.177 9.496 1.00 0.79 C ATOM 2286 OD1 ASP A 151 -6.729 3.334 10.275 1.00 1.25 O ATOM 2287 OD2 ASP A 151 -7.460 5.359 9.838 1.00 1.07 O ATOM 0 H ASP A 151 -7.059 5.426 6.212 1.00 0.25 H new ATOM 0 HA ASP A 151 -5.571 3.481 7.789 1.00 0.25 H new ATOM 0 HB2 ASP A 151 -8.352 4.435 7.680 1.00 0.29 H new ATOM 0 HB3 ASP A 151 -8.067 2.761 8.112 1.00 0.29 H new ATOM 2292 N PHE A 152 -6.109 1.526 6.461 1.00 0.27 N ATOM 2293 CA PHE A 152 -6.386 0.340 5.737 1.00 0.27 C ATOM 2294 C PHE A 152 -6.683 -0.763 6.716 1.00 0.28 C ATOM 2295 O PHE A 152 -6.518 -0.605 7.911 1.00 0.30 O ATOM 2296 CB PHE A 152 -5.232 -0.040 4.838 1.00 0.30 C ATOM 2297 CG PHE A 152 -5.120 0.799 3.602 1.00 1.46 C ATOM 2298 CD1 PHE A 152 -5.944 0.563 2.516 1.00 2.12 C ATOM 2299 CD2 PHE A 152 -4.191 1.820 3.522 1.00 2.11 C ATOM 2300 CE1 PHE A 152 -5.842 1.329 1.374 1.00 3.35 C ATOM 2301 CE2 PHE A 152 -4.083 2.588 2.383 1.00 3.33 C ATOM 2302 CZ PHE A 152 -4.908 2.343 1.306 1.00 3.93 C ATOM 0 H PHE A 152 -5.520 1.382 7.281 1.00 0.27 H new ATOM 0 HA PHE A 152 -7.250 0.507 5.094 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -4.303 0.039 5.403 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -5.340 -1.085 4.547 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -6.675 -0.230 2.563 1.00 2.12 H new ATOM 0 HD2 PHE A 152 -3.542 2.018 4.362 1.00 2.11 H new ATOM 0 HE1 PHE A 152 -6.492 1.136 0.534 1.00 3.35 H new ATOM 0 HE2 PHE A 152 -3.352 3.382 2.334 1.00 3.33 H new ATOM 0 HZ PHE A 152 -4.824 2.943 0.412 1.00 3.93 H new ATOM 2312 N GLN A 153 -7.144 -1.850 6.188 1.00 0.30 N ATOM 2313 CA GLN A 153 -7.620 -2.977 6.950 1.00 0.33 C ATOM 2314 C GLN A 153 -7.454 -4.198 6.082 1.00 0.38 C ATOM 2315 O GLN A 153 -7.660 -4.114 4.869 1.00 0.44 O ATOM 2316 CB GLN A 153 -9.109 -2.833 7.316 1.00 0.44 C ATOM 2317 CG GLN A 153 -9.515 -1.494 7.915 1.00 0.70 C ATOM 2318 CD GLN A 153 -10.920 -1.516 8.476 1.00 0.63 C ATOM 2319 OE1 GLN A 153 -11.137 -1.858 9.639 1.00 1.27 O ATOM 2320 NE2 GLN A 153 -11.883 -1.127 7.659 1.00 1.20 N ATOM 0 H GLN A 153 -7.205 -1.990 5.180 1.00 0.30 H new ATOM 0 HA GLN A 153 -7.055 -3.047 7.880 1.00 0.33 H new ATOM 0 HB2 GLN A 153 -9.703 -3.004 6.418 1.00 0.44 H new ATOM 0 HB3 GLN A 153 -9.368 -3.620 8.024 1.00 0.44 H new ATOM 0 HG2 GLN A 153 -8.815 -1.226 8.706 1.00 0.70 H new ATOM 0 HG3 GLN A 153 -9.444 -0.720 7.150 1.00 0.70 H new ATOM 0 HE21 GLN A 153 -11.660 -0.852 6.703 1.00 1.20 H new ATOM 0 HE22 GLN A 153 -12.849 -1.102 7.985 1.00 1.20 H new ATOM 2329 N ILE A 154 -7.070 -5.316 6.656 1.00 0.43 N ATOM 2330 CA ILE A 154 -7.009 -6.520 5.876 1.00 0.45 C ATOM 2331 C ILE A 154 -8.322 -7.248 6.063 1.00 0.44 C ATOM 2332 O ILE A 154 -8.635 -7.767 7.132 1.00 0.49 O ATOM 2333 CB ILE A 154 -5.825 -7.417 6.307 1.00 0.56 C ATOM 2334 CG1 ILE A 154 -5.785 -7.571 7.836 1.00 1.14 C ATOM 2335 CG2 ILE A 154 -4.515 -6.837 5.796 1.00 1.53 C ATOM 2336 CD1 ILE A 154 -4.670 -8.465 8.335 1.00 1.63 C ATOM 0 H ILE A 154 -6.802 -5.412 7.636 1.00 0.43 H new ATOM 0 HA ILE A 154 -6.848 -6.273 4.827 1.00 0.45 H new ATOM 0 HB ILE A 154 -5.965 -8.406 5.871 1.00 0.56 H new ATOM 0 HG12 ILE A 154 -5.676 -6.585 8.288 1.00 1.14 H new ATOM 0 HG13 ILE A 154 -6.739 -7.974 8.176 1.00 1.14 H new ATOM 0 HG21 ILE A 154 -3.689 -7.477 6.105 1.00 1.53 H new ATOM 0 HG22 ILE A 154 -4.542 -6.780 4.708 1.00 1.53 H new ATOM 0 HG23 ILE A 154 -4.374 -5.838 6.208 1.00 1.53 H new ATOM 0 HD11 ILE A 154 -4.709 -8.523 9.423 1.00 1.63 H new ATOM 0 HD12 ILE A 154 -4.788 -9.463 7.914 1.00 1.63 H new ATOM 0 HD13 ILE A 154 -3.709 -8.053 8.028 1.00 1.63 H new ATOM 2348 N LEU A 155 -9.087 -7.261 4.996 1.00 0.43 N ATOM 2349 CA LEU A 155 -10.453 -7.757 5.035 1.00 0.44 C ATOM 2350 C LEU A 155 -10.566 -9.067 4.279 1.00 0.57 C ATOM 2351 O LEU A 155 -10.265 -9.143 3.095 1.00 0.67 O ATOM 2352 CB LEU A 155 -11.457 -6.731 4.464 1.00 0.53 C ATOM 2353 CG LEU A 155 -11.578 -5.375 5.199 1.00 0.46 C ATOM 2354 CD1 LEU A 155 -13.027 -4.920 5.221 1.00 0.82 C ATOM 2355 CD2 LEU A 155 -11.052 -5.456 6.624 1.00 0.73 C ATOM 0 H LEU A 155 -8.787 -6.931 4.079 1.00 0.43 H new ATOM 0 HA LEU A 155 -10.705 -7.923 6.082 1.00 0.44 H new ATOM 0 HB2 LEU A 155 -11.183 -6.530 3.428 1.00 0.53 H new ATOM 0 HB3 LEU A 155 -12.443 -7.196 4.448 1.00 0.53 H new ATOM 0 HG LEU A 155 -10.971 -4.653 4.653 1.00 0.46 H new ATOM 0 HD11 LEU A 155 -13.101 -3.965 5.741 1.00 0.82 H new ATOM 0 HD12 LEU A 155 -13.388 -4.806 4.199 1.00 0.82 H new ATOM 0 HD13 LEU A 155 -13.634 -5.663 5.739 1.00 0.82 H new ATOM 0 HD21 LEU A 155 -11.155 -4.484 7.106 1.00 0.73 H new ATOM 0 HD22 LEU A 155 -11.623 -6.199 7.181 1.00 0.73 H new ATOM 0 HD23 LEU A 155 -10.001 -5.744 6.608 1.00 0.73 H new ATOM 2367 N GLU A 156 -10.982 -10.098 4.971 1.00 0.67 N ATOM 2368 CA GLU A 156 -11.192 -11.388 4.352 1.00 0.89 C ATOM 2369 C GLU A 156 -12.606 -11.407 3.784 1.00 0.99 C ATOM 2370 O GLU A 156 -13.454 -10.638 4.230 1.00 0.90 O ATOM 2371 CB GLU A 156 -10.981 -12.490 5.391 1.00 1.04 C ATOM 2372 CG GLU A 156 -10.960 -13.900 4.824 1.00 1.58 C ATOM 2373 CD GLU A 156 -10.538 -14.922 5.859 1.00 2.05 C ATOM 2374 OE1 GLU A 156 -10.995 -14.825 7.016 1.00 2.57 O ATOM 2375 OE2 GLU A 156 -9.726 -15.811 5.532 1.00 2.53 O ATOM 0 H GLU A 156 -11.184 -10.071 5.970 1.00 0.67 H new ATOM 0 HA GLU A 156 -10.482 -11.563 3.543 1.00 0.89 H new ATOM 0 HB2 GLU A 156 -10.040 -12.307 5.909 1.00 1.04 H new ATOM 0 HB3 GLU A 156 -11.773 -12.424 6.137 1.00 1.04 H new ATOM 0 HG2 GLU A 156 -11.951 -14.154 4.447 1.00 1.58 H new ATOM 0 HG3 GLU A 156 -10.276 -13.939 3.976 1.00 1.58 H new ATOM 2382 N ASN A 157 -12.859 -12.270 2.811 1.00 1.23 N ATOM 2383 CA ASN A 157 -14.096 -12.207 2.036 1.00 1.41 C ATOM 2384 C ASN A 157 -15.219 -12.957 2.737 1.00 1.66 C ATOM 2385 O ASN A 157 -14.988 -13.689 3.701 1.00 1.82 O ATOM 2386 CB ASN A 157 -13.889 -12.759 0.619 1.00 1.68 C ATOM 2387 CG ASN A 157 -14.275 -14.222 0.462 1.00 2.14 C ATOM 2388 OD1 ASN A 157 -14.083 -15.032 1.357 1.00 2.67 O ATOM 2389 ND2 ASN A 157 -14.850 -14.556 -0.681 1.00 2.44 N ATOM 0 H ASN A 157 -12.227 -13.022 2.537 1.00 1.23 H new ATOM 0 HA ASN A 157 -14.381 -11.158 1.957 1.00 1.41 H new ATOM 0 HB2 ASN A 157 -14.474 -12.162 -0.081 1.00 1.68 H new ATOM 0 HB3 ASN A 157 -12.841 -12.639 0.343 1.00 1.68 H new ATOM 0 HD21 ASN A 157 -15.150 -15.518 -0.839 1.00 2.44 H new ATOM 0 HD22 ASN A 157 -14.993 -13.852 -1.405 1.00 2.44 H new ATOM 2396 N GLN A 158 -16.429 -12.759 2.262 1.00 1.77 N ATOM 2397 CA GLN A 158 -17.608 -13.265 2.940 1.00 2.06 C ATOM 2398 C GLN A 158 -17.726 -14.771 2.744 1.00 2.49 C ATOM 2399 O GLN A 158 -17.809 -15.532 3.711 1.00 2.73 O ATOM 2400 CB GLN A 158 -18.842 -12.544 2.407 1.00 2.08 C ATOM 2401 CG GLN A 158 -20.073 -12.679 3.285 1.00 2.54 C ATOM 2402 CD GLN A 158 -21.253 -11.891 2.749 1.00 2.68 C ATOM 2403 OE1 GLN A 158 -22.411 -12.244 2.980 1.00 3.15 O ATOM 2404 NE2 GLN A 158 -20.967 -10.822 2.019 1.00 2.98 N ATOM 0 H GLN A 158 -16.626 -12.247 1.402 1.00 1.77 H new ATOM 0 HA GLN A 158 -17.524 -13.076 4.010 1.00 2.06 H new ATOM 0 HB2 GLN A 158 -18.608 -11.486 2.290 1.00 2.08 H new ATOM 0 HB3 GLN A 158 -19.074 -12.931 1.415 1.00 2.08 H new ATOM 0 HG2 GLN A 158 -20.347 -13.731 3.363 1.00 2.54 H new ATOM 0 HG3 GLN A 158 -19.837 -12.336 4.292 1.00 2.54 H new ATOM 0 HE21 GLN A 158 -19.994 -10.564 1.851 1.00 2.98 H new ATOM 0 HE22 GLN A 158 -21.719 -10.257 1.625 1.00 2.98 H new ATOM 2413 N ALA A 159 -17.713 -15.181 1.483 1.00 2.67 N ATOM 2414 CA ALA A 159 -17.729 -16.583 1.113 1.00 3.14 C ATOM 2415 C ALA A 159 -17.346 -16.729 -0.356 1.00 3.38 C ATOM 2416 O ALA A 159 -16.162 -17.015 -0.636 1.00 3.55 O ATOM 2417 CB ALA A 159 -19.096 -17.195 1.382 1.00 3.37 C ATOM 2418 OXT ALA A 159 -18.220 -16.521 -1.224 1.00 3.78 O ATOM 0 H ALA A 159 -17.691 -14.544 0.686 1.00 2.67 H new ATOM 0 HA ALA A 159 -17.001 -17.120 1.721 1.00 3.14 H new ATOM 0 HB1 ALA A 159 -19.086 -18.247 1.097 1.00 3.37 H new ATOM 0 HB2 ALA A 159 -19.331 -17.108 2.443 1.00 3.37 H new ATOM 0 HB3 ALA A 159 -19.851 -16.669 0.799 1.00 3.37 H new TER 2424 ALA A 159