USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1248 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 143 THR OG1 : rot -23:sc= 0.311 USER MOD Set 1.2: A 144 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 22 SER OG : rot -150:sc= 0.756 USER MOD Set 2.2: A 130 LYS NZ :NH3+ -116:sc= 0.219 (180deg=-1.21) USER MOD Set 3.1: A 125 GLN : amide:sc= 0 X(o=0,f=0.0031) USER MOD Set 3.2: A 129 LYS NZ :NH3+ 154:sc= 0 (180deg=0) USER MOD Set 4.1: A 103 GLN : amide:sc= -0.774 K(o=-7.9,f=-9.3) USER MOD Set 4.2: A 117 GLN : amide:sc= -7.11! C(o=-7.9!,f=-17!) USER MOD Set 5.1: A 80 ASN : amide:sc= -0.424 K(o=-1,f=-4.2!) USER MOD Set 5.2: A 83 THR OG1 : rot -150:sc= -0.624 USER MOD Set 6.1: A 68 MET CE :methyl -139:sc= -5.89! (180deg=-9.9!) USER MOD Set 6.2: A 178 SER OG : rot -159:sc= -3.09! USER MOD Set 7.1: A 44 THR OG1 : rot -60:sc= 0.621 USER MOD Set 7.2: A 48 SER OG : rot 31:sc= 0.452 USER MOD Set 8.1: A 29 GLN : amide:sc= -2.98! C(o=-2.7!,f=0.094!) USER MOD Set 8.2: A 119 SER OG : rot 1:sc= 0.279 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.0579) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.38) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 145:sc= -0.827 (180deg=-2.12) USER MOD Single : A 62 ASN : amide:sc= -0.502 K(o=-0.5,f=-3!) USER MOD Single : A 64 ASN : amide:sc= -0.245 K(o=-0.25,f=-6.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0506 K(o=-0.051,f=-1.2!) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 54:sc= 0.131 USER MOD Single : A 98 TYR OH : rot 176:sc= -3.66! USER MOD Single : A 101 TYR OH : rot 145:sc= -3.23! USER MOD Single : A 104 ASN : amide:sc= -0.0884 X(o=-0.088,f=-0.24) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -0.0561 USER MOD Single : A 112 GLN : amide:sc= -3.46! C(o=-3.5!,f=-6.4!) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 85:sc= -3.26! USER MOD Single : A 121 LYS NZ :NH3+ 161:sc=-0.00975 (180deg=-0.369) USER MOD Single : A 128 GLN : amide:sc= -0.302 K(o=-0.3,f=-1.5!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0847 USER MOD Single : A 139 THR OG1 : rot -140:sc= -0.539 USER MOD Single : A 145 ASN : amide:sc= -6.96! C(o=-7!,f=-6.5!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= -0.392 K(o=-0.39,f=-1.1) USER MOD Single : A 155 GLN : amide:sc= -2.49 K(o=-2.5,f=-7.4!) USER MOD Single : A 156 ASN : amide:sc= -0.0219 K(o=-0.022,f=-1.2) USER MOD Single : A 157 GLN : amide:sc= -0.952 K(o=-0.95,f=-4!) USER MOD Single : A 160 GLN : amide:sc= -2.02 K(o=-2,f=-6.2!) USER MOD Single : A 162 MET CE :methyl -125:sc= -16.7! (180deg=-26.2!) USER MOD Single : A 163 THR OG1 : rot 87:sc= 1.31 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 HIS : no HD1:sc= -0.443 K(o=-0.44,f=-1.9) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.1) USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 184 GLN : amide:sc= -1.25 K(o=-1.3,f=-7.9!) USER MOD Single : A 185 MET CE :methyl 154:sc= -0.243 (180deg=-1.53) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 20.020 12.047 1.105 1.00 0.42 N ATOM 21 CA THR A 21 20.363 11.066 0.037 1.00 0.43 C ATOM 22 C THR A 21 19.084 10.597 -0.661 1.00 0.48 C ATOM 23 O THR A 21 17.986 10.929 -0.257 1.00 0.45 O ATOM 24 CB THR A 21 21.077 9.864 0.662 1.00 0.36 C ATOM 25 OG1 THR A 21 21.272 8.860 -0.324 1.00 0.54 O ATOM 26 CG2 THR A 21 20.229 9.303 1.804 1.00 0.30 C ATOM 0 HA THR A 21 21.018 11.539 -0.694 1.00 0.43 H new ATOM 0 HB THR A 21 22.045 10.180 1.051 1.00 0.36 H new ATOM 0 HG1 THR A 21 21.730 8.092 0.077 1.00 0.54 H new ATOM 0 HG21 THR A 21 20.738 8.447 2.249 1.00 0.30 H new ATOM 0 HG22 THR A 21 20.084 10.073 2.562 1.00 0.30 H new ATOM 0 HG23 THR A 21 19.260 8.988 1.417 1.00 0.30 H new ATOM 34 N SER A 22 19.217 9.831 -1.709 1.00 0.58 N ATOM 35 CA SER A 22 18.014 9.341 -2.439 1.00 0.64 C ATOM 36 C SER A 22 17.113 8.553 -1.485 1.00 0.48 C ATOM 37 O SER A 22 15.923 8.429 -1.701 1.00 0.32 O ATOM 38 CB SER A 22 18.454 8.433 -3.586 1.00 0.82 C ATOM 39 OG SER A 22 18.902 7.192 -3.055 1.00 1.29 O ATOM 0 H SER A 22 20.110 9.522 -2.092 1.00 0.58 H new ATOM 0 HA SER A 22 17.461 10.193 -2.835 1.00 0.64 H new ATOM 0 HB2 SER A 22 17.625 8.269 -4.275 1.00 0.82 H new ATOM 0 HB3 SER A 22 19.253 8.908 -4.156 1.00 0.82 H new ATOM 0 HG SER A 22 19.589 6.814 -3.643 1.00 1.29 H new ATOM 45 N SER A 23 17.668 8.013 -0.433 1.00 0.57 N ATOM 46 CA SER A 23 16.838 7.229 0.526 1.00 0.44 C ATOM 47 C SER A 23 16.035 8.183 1.408 1.00 0.29 C ATOM 48 O SER A 23 14.833 8.080 1.501 1.00 0.32 O ATOM 49 CB SER A 23 17.746 6.365 1.404 1.00 0.46 C ATOM 50 OG SER A 23 17.119 5.110 1.636 1.00 0.43 O ATOM 0 H SER A 23 18.658 8.081 -0.197 1.00 0.57 H new ATOM 0 HA SER A 23 16.154 6.588 -0.030 1.00 0.44 H new ATOM 0 HB2 SER A 23 18.710 6.218 0.917 1.00 0.46 H new ATOM 0 HB3 SER A 23 17.941 6.868 2.351 1.00 0.46 H new ATOM 0 HG SER A 23 17.699 4.553 2.197 1.00 0.43 H new ATOM 56 N GLU A 24 16.682 9.114 2.057 1.00 0.36 N ATOM 57 CA GLU A 24 15.930 10.066 2.925 1.00 0.47 C ATOM 58 C GLU A 24 14.818 10.724 2.105 1.00 0.56 C ATOM 59 O GLU A 24 13.783 11.095 2.623 1.00 0.61 O ATOM 60 CB GLU A 24 16.882 11.143 3.450 1.00 0.70 C ATOM 61 CG GLU A 24 16.869 11.135 4.983 1.00 1.16 C ATOM 62 CD GLU A 24 18.137 10.463 5.520 1.00 2.09 C ATOM 63 OE1 GLU A 24 19.034 10.206 4.735 1.00 2.94 O ATOM 64 OE2 GLU A 24 18.190 10.218 6.714 1.00 2.56 O ATOM 0 H GLU A 24 17.692 9.256 2.024 1.00 0.36 H new ATOM 0 HA GLU A 24 15.496 9.527 3.767 1.00 0.47 H new ATOM 0 HB2 GLU A 24 17.892 10.960 3.084 1.00 0.70 H new ATOM 0 HB3 GLU A 24 16.580 12.122 3.078 1.00 0.70 H new ATOM 0 HG2 GLU A 24 16.803 12.156 5.359 1.00 1.16 H new ATOM 0 HG3 GLU A 24 15.987 10.605 5.344 1.00 1.16 H new ATOM 71 N ARG A 25 15.024 10.862 0.824 1.00 0.62 N ATOM 72 CA ARG A 25 13.979 11.486 -0.034 1.00 0.77 C ATOM 73 C ARG A 25 12.901 10.449 -0.350 1.00 0.60 C ATOM 74 O ARG A 25 11.733 10.770 -0.459 1.00 0.66 O ATOM 75 CB ARG A 25 14.612 11.980 -1.337 1.00 1.04 C ATOM 76 CG ARG A 25 14.059 13.365 -1.682 1.00 1.38 C ATOM 77 CD ARG A 25 14.621 13.819 -3.031 1.00 1.13 C ATOM 78 NE ARG A 25 13.593 13.613 -4.091 1.00 1.91 N ATOM 79 CZ ARG A 25 13.736 14.177 -5.259 1.00 2.04 C ATOM 80 NH1 ARG A 25 13.486 15.450 -5.406 1.00 2.36 N ATOM 81 NH2 ARG A 25 14.122 13.467 -6.283 1.00 2.40 N ATOM 0 H ARG A 25 15.870 10.570 0.335 1.00 0.62 H new ATOM 0 HA ARG A 25 13.532 12.330 0.491 1.00 0.77 H new ATOM 0 HB2 ARG A 25 15.696 12.026 -1.232 1.00 1.04 H new ATOM 0 HB3 ARG A 25 14.399 11.280 -2.145 1.00 1.04 H new ATOM 0 HG2 ARG A 25 12.970 13.334 -1.722 1.00 1.38 H new ATOM 0 HG3 ARG A 25 14.329 14.080 -0.905 1.00 1.38 H new ATOM 0 HD2 ARG A 25 14.905 14.870 -2.984 1.00 1.13 H new ATOM 0 HD3 ARG A 25 15.523 13.256 -3.270 1.00 1.13 H new ATOM 0 HE ARG A 25 12.777 13.031 -3.903 1.00 1.91 H new ATOM 0 HH11 ARG A 25 13.179 16.005 -4.607 1.00 2.36 H new ATOM 0 HH12 ARG A 25 13.598 15.890 -6.320 1.00 2.36 H new ATOM 0 HH21 ARG A 25 14.312 12.471 -6.171 1.00 2.40 H new ATOM 0 HH22 ARG A 25 14.234 13.908 -7.196 1.00 2.40 H new ATOM 95 N ILE A 26 13.277 9.205 -0.500 1.00 0.50 N ATOM 96 CA ILE A 26 12.260 8.164 -0.809 1.00 0.60 C ATOM 97 C ILE A 26 11.265 8.077 0.362 1.00 0.40 C ATOM 98 O ILE A 26 10.070 7.952 0.172 1.00 0.48 O ATOM 99 CB ILE A 26 12.955 6.808 -1.084 1.00 0.80 C ATOM 100 CG1 ILE A 26 12.160 6.079 -2.177 1.00 1.17 C ATOM 101 CG2 ILE A 26 13.031 5.938 0.185 1.00 1.30 C ATOM 102 CD1 ILE A 26 12.705 4.661 -2.387 1.00 0.52 C ATOM 0 H ILE A 26 14.237 8.870 -0.422 1.00 0.50 H new ATOM 0 HA ILE A 26 11.706 8.429 -1.710 1.00 0.60 H new ATOM 0 HB ILE A 26 13.980 6.991 -1.408 1.00 0.80 H new ATOM 0 HG12 ILE A 26 11.107 6.032 -1.898 1.00 1.17 H new ATOM 0 HG13 ILE A 26 12.218 6.639 -3.111 1.00 1.17 H new ATOM 0 HG21 ILE A 26 13.525 4.995 -0.049 1.00 1.30 H new ATOM 0 HG22 ILE A 26 13.598 6.464 0.953 1.00 1.30 H new ATOM 0 HG23 ILE A 26 12.024 5.739 0.550 1.00 1.30 H new ATOM 0 HD11 ILE A 26 12.128 4.161 -3.165 1.00 0.52 H new ATOM 0 HD12 ILE A 26 13.751 4.714 -2.688 1.00 0.52 H new ATOM 0 HD13 ILE A 26 12.623 4.098 -1.457 1.00 0.52 H new ATOM 114 N ASP A 27 11.758 8.164 1.570 1.00 0.24 N ATOM 115 CA ASP A 27 10.861 8.109 2.756 1.00 0.35 C ATOM 116 C ASP A 27 9.810 9.208 2.616 1.00 0.35 C ATOM 117 O ASP A 27 8.645 9.010 2.896 1.00 0.44 O ATOM 118 CB ASP A 27 11.693 8.338 4.024 1.00 0.37 C ATOM 119 CG ASP A 27 10.793 8.278 5.262 1.00 0.75 C ATOM 120 OD1 ASP A 27 9.585 8.291 5.100 1.00 1.39 O ATOM 121 OD2 ASP A 27 11.332 8.218 6.356 1.00 0.81 O ATOM 0 H ASP A 27 12.749 8.271 1.784 1.00 0.24 H new ATOM 0 HA ASP A 27 10.371 7.138 2.822 1.00 0.35 H new ATOM 0 HB2 ASP A 27 12.475 7.582 4.096 1.00 0.37 H new ATOM 0 HB3 ASP A 27 12.190 9.307 3.972 1.00 0.37 H new ATOM 126 N LYS A 28 10.218 10.363 2.170 1.00 0.30 N ATOM 127 CA LYS A 28 9.250 11.473 1.994 1.00 0.39 C ATOM 128 C LYS A 28 8.271 11.103 0.885 1.00 0.39 C ATOM 129 O LYS A 28 7.110 11.460 0.922 1.00 0.57 O ATOM 130 CB LYS A 28 10.007 12.746 1.609 1.00 0.41 C ATOM 131 CG LYS A 28 10.380 13.519 2.873 1.00 1.48 C ATOM 132 CD LYS A 28 9.106 13.882 3.633 1.00 2.55 C ATOM 133 CE LYS A 28 9.376 15.079 4.546 1.00 3.52 C ATOM 134 NZ LYS A 28 8.177 15.964 4.582 1.00 4.04 N ATOM 0 H LYS A 28 11.182 10.583 1.920 1.00 0.30 H new ATOM 0 HA LYS A 28 8.705 11.645 2.922 1.00 0.39 H new ATOM 0 HB2 LYS A 28 10.906 12.492 1.047 1.00 0.41 H new ATOM 0 HB3 LYS A 28 9.390 13.366 0.959 1.00 0.41 H new ATOM 0 HG2 LYS A 28 11.034 12.916 3.503 1.00 1.48 H new ATOM 0 HG3 LYS A 28 10.932 14.422 2.612 1.00 1.48 H new ATOM 0 HD2 LYS A 28 8.307 14.120 2.931 1.00 2.55 H new ATOM 0 HD3 LYS A 28 8.768 13.031 4.223 1.00 2.55 H new ATOM 0 HE2 LYS A 28 9.616 14.735 5.552 1.00 3.52 H new ATOM 0 HE3 LYS A 28 10.241 15.636 4.185 1.00 3.52 H new ATOM 0 HZ1 LYS A 28 8.190 16.531 5.454 1.00 4.04 H new ATOM 0 HZ2 LYS A 28 8.188 16.597 3.757 1.00 4.04 H new ATOM 0 HZ3 LYS A 28 7.315 15.382 4.561 1.00 4.04 H new ATOM 148 N GLN A 29 8.727 10.383 -0.101 1.00 0.24 N ATOM 149 CA GLN A 29 7.819 9.984 -1.206 1.00 0.27 C ATOM 150 C GLN A 29 6.647 9.195 -0.621 1.00 0.26 C ATOM 151 O GLN A 29 5.514 9.340 -1.044 1.00 0.27 O ATOM 152 CB GLN A 29 8.582 9.116 -2.209 1.00 0.29 C ATOM 153 CG GLN A 29 7.787 9.030 -3.514 1.00 1.57 C ATOM 154 CD GLN A 29 8.018 10.300 -4.332 1.00 1.09 C ATOM 155 OE1 GLN A 29 7.106 11.075 -4.542 1.00 1.65 O ATOM 156 NE2 GLN A 29 9.208 10.549 -4.804 1.00 0.94 N ATOM 0 H GLN A 29 9.689 10.055 -0.188 1.00 0.24 H new ATOM 0 HA GLN A 29 7.445 10.870 -1.719 1.00 0.27 H new ATOM 0 HB2 GLN A 29 9.568 9.541 -2.398 1.00 0.29 H new ATOM 0 HB3 GLN A 29 8.738 8.118 -1.799 1.00 0.29 H new ATOM 0 HG2 GLN A 29 8.097 8.155 -4.085 1.00 1.57 H new ATOM 0 HG3 GLN A 29 6.725 8.911 -3.299 1.00 1.57 H new ATOM 0 HE21 GLN A 29 9.973 9.898 -4.627 1.00 0.94 H new ATOM 0 HE22 GLN A 29 9.374 11.395 -5.350 1.00 0.94 H new ATOM 165 N ILE A 30 6.900 8.374 0.365 1.00 0.23 N ATOM 166 CA ILE A 30 5.778 7.610 0.973 1.00 0.21 C ATOM 167 C ILE A 30 4.951 8.577 1.811 1.00 0.14 C ATOM 168 O ILE A 30 3.750 8.450 1.909 1.00 0.09 O ATOM 169 CB ILE A 30 6.301 6.468 1.851 1.00 0.30 C ATOM 170 CG1 ILE A 30 7.006 5.431 0.973 1.00 0.61 C ATOM 171 CG2 ILE A 30 5.128 5.803 2.568 1.00 0.18 C ATOM 172 CD1 ILE A 30 7.436 4.232 1.821 1.00 0.78 C ATOM 0 H ILE A 30 7.821 8.203 0.768 1.00 0.23 H new ATOM 0 HA ILE A 30 5.169 7.166 0.186 1.00 0.21 H new ATOM 0 HB ILE A 30 7.003 6.866 2.584 1.00 0.30 H new ATOM 0 HG12 ILE A 30 6.338 5.103 0.176 1.00 0.61 H new ATOM 0 HG13 ILE A 30 7.877 5.879 0.494 1.00 0.61 H new ATOM 0 HG21 ILE A 30 5.497 4.990 3.193 1.00 0.18 H new ATOM 0 HG22 ILE A 30 4.619 6.538 3.191 1.00 0.18 H new ATOM 0 HG23 ILE A 30 4.429 5.406 1.832 1.00 0.18 H new ATOM 0 HD11 ILE A 30 7.937 3.499 1.188 1.00 0.78 H new ATOM 0 HD12 ILE A 30 8.120 4.565 2.601 1.00 0.78 H new ATOM 0 HD13 ILE A 30 6.558 3.776 2.279 1.00 0.78 H new ATOM 184 N ARG A 31 5.576 9.567 2.395 1.00 0.16 N ATOM 185 CA ARG A 31 4.805 10.556 3.192 1.00 0.13 C ATOM 186 C ARG A 31 3.701 11.123 2.296 1.00 0.10 C ATOM 187 O ARG A 31 2.639 11.501 2.751 1.00 0.07 O ATOM 188 CB ARG A 31 5.739 11.678 3.647 1.00 0.20 C ATOM 189 CG ARG A 31 4.970 12.642 4.545 1.00 0.34 C ATOM 190 CD ARG A 31 5.809 12.969 5.781 1.00 1.00 C ATOM 191 NE ARG A 31 6.206 11.704 6.461 1.00 2.83 N ATOM 192 CZ ARG A 31 6.975 11.742 7.514 1.00 3.81 C ATOM 193 NH1 ARG A 31 6.764 12.633 8.443 1.00 3.48 N ATOM 194 NH2 ARG A 31 7.953 10.888 7.639 1.00 5.31 N ATOM 0 H ARG A 31 6.582 9.729 2.353 1.00 0.16 H new ATOM 0 HA ARG A 31 4.368 10.087 4.074 1.00 0.13 H new ATOM 0 HB2 ARG A 31 6.590 11.262 4.186 1.00 0.20 H new ATOM 0 HB3 ARG A 31 6.137 12.208 2.782 1.00 0.20 H new ATOM 0 HG2 ARG A 31 4.736 13.556 3.999 1.00 0.34 H new ATOM 0 HG3 ARG A 31 4.021 12.198 4.844 1.00 0.34 H new ATOM 0 HD2 ARG A 31 6.696 13.533 5.493 1.00 1.00 H new ATOM 0 HD3 ARG A 31 5.239 13.598 6.464 1.00 1.00 H new ATOM 0 HE ARG A 31 5.876 10.808 6.103 1.00 2.83 H new ATOM 0 HH11 ARG A 31 5.998 13.300 8.346 1.00 3.48 H new ATOM 0 HH12 ARG A 31 7.365 12.663 9.267 1.00 3.48 H new ATOM 0 HH21 ARG A 31 8.117 10.190 6.913 1.00 5.31 H new ATOM 0 HH22 ARG A 31 8.554 10.918 8.462 1.00 5.31 H new ATOM 208 N TYR A 32 3.947 11.146 1.012 1.00 0.15 N ATOM 209 CA TYR A 32 2.925 11.641 0.057 1.00 0.16 C ATOM 210 C TYR A 32 1.910 10.524 -0.163 1.00 0.16 C ATOM 211 O TYR A 32 0.724 10.756 -0.276 1.00 0.18 O ATOM 212 CB TYR A 32 3.598 11.983 -1.273 1.00 0.20 C ATOM 213 CG TYR A 32 3.185 13.365 -1.707 1.00 0.06 C ATOM 214 CD1 TYR A 32 1.879 13.598 -2.150 1.00 0.77 C ATOM 215 CD2 TYR A 32 4.110 14.413 -1.670 1.00 1.07 C ATOM 216 CE1 TYR A 32 1.497 14.883 -2.554 1.00 0.57 C ATOM 217 CE2 TYR A 32 3.731 15.696 -2.074 1.00 1.29 C ATOM 218 CZ TYR A 32 2.424 15.932 -2.516 1.00 0.51 C ATOM 219 OH TYR A 32 2.047 17.199 -2.917 1.00 0.73 O ATOM 0 H TYR A 32 4.821 10.839 0.585 1.00 0.15 H new ATOM 0 HA TYR A 32 2.435 12.532 0.449 1.00 0.16 H new ATOM 0 HB2 TYR A 32 4.682 11.933 -1.167 1.00 0.20 H new ATOM 0 HB3 TYR A 32 3.317 11.253 -2.032 1.00 0.20 H new ATOM 0 HD1 TYR A 32 1.166 12.787 -2.180 1.00 0.77 H new ATOM 0 HD2 TYR A 32 5.118 14.231 -1.329 1.00 1.07 H new ATOM 0 HE1 TYR A 32 0.488 15.065 -2.895 1.00 0.57 H new ATOM 0 HE2 TYR A 32 4.446 16.505 -2.045 1.00 1.29 H new ATOM 0 HH TYR A 32 2.808 17.810 -2.828 1.00 0.73 H new ATOM 229 N ILE A 33 2.378 9.304 -0.217 1.00 0.16 N ATOM 230 CA ILE A 33 1.455 8.152 -0.419 1.00 0.17 C ATOM 231 C ILE A 33 0.334 8.211 0.626 1.00 0.14 C ATOM 232 O ILE A 33 -0.829 8.080 0.309 1.00 0.11 O ATOM 233 CB ILE A 33 2.232 6.844 -0.263 1.00 0.16 C ATOM 234 CG1 ILE A 33 3.297 6.753 -1.356 1.00 0.23 C ATOM 235 CG2 ILE A 33 1.276 5.656 -0.392 1.00 0.24 C ATOM 236 CD1 ILE A 33 4.109 5.472 -1.165 1.00 0.32 C ATOM 0 H ILE A 33 3.364 9.057 -0.129 1.00 0.16 H new ATOM 0 HA ILE A 33 1.023 8.199 -1.419 1.00 0.17 H new ATOM 0 HB ILE A 33 2.707 6.823 0.718 1.00 0.16 H new ATOM 0 HG12 ILE A 33 2.827 6.756 -2.339 1.00 0.23 H new ATOM 0 HG13 ILE A 33 3.953 7.623 -1.314 1.00 0.23 H new ATOM 0 HG21 ILE A 33 1.834 4.726 -0.280 1.00 0.24 H new ATOM 0 HG22 ILE A 33 0.513 5.717 0.384 1.00 0.24 H new ATOM 0 HG23 ILE A 33 0.799 5.677 -1.372 1.00 0.24 H new ATOM 0 HD11 ILE A 33 4.869 5.404 -1.943 1.00 0.32 H new ATOM 0 HD12 ILE A 33 4.590 5.489 -0.187 1.00 0.32 H new ATOM 0 HD13 ILE A 33 3.447 4.609 -1.228 1.00 0.32 H new ATOM 248 N LEU A 34 0.684 8.410 1.867 1.00 0.16 N ATOM 249 CA LEU A 34 -0.347 8.482 2.939 1.00 0.13 C ATOM 250 C LEU A 34 -1.160 9.766 2.772 1.00 0.09 C ATOM 251 O LEU A 34 -2.365 9.772 2.922 1.00 0.04 O ATOM 252 CB LEU A 34 0.343 8.489 4.305 1.00 0.16 C ATOM 253 CG LEU A 34 -0.053 7.235 5.086 1.00 0.44 C ATOM 254 CD1 LEU A 34 0.863 6.075 4.690 1.00 0.81 C ATOM 255 CD2 LEU A 34 0.089 7.507 6.585 1.00 0.36 C ATOM 0 H LEU A 34 1.646 8.526 2.186 1.00 0.16 H new ATOM 0 HA LEU A 34 -1.010 7.619 2.870 1.00 0.13 H new ATOM 0 HB2 LEU A 34 1.425 8.524 4.177 1.00 0.16 H new ATOM 0 HB3 LEU A 34 0.059 9.382 4.862 1.00 0.16 H new ATOM 0 HG LEU A 34 -1.086 6.974 4.857 1.00 0.44 H new ATOM 0 HD11 LEU A 34 0.580 5.182 5.247 1.00 0.81 H new ATOM 0 HD12 LEU A 34 0.765 5.883 3.622 1.00 0.81 H new ATOM 0 HD13 LEU A 34 1.897 6.333 4.919 1.00 0.81 H new ATOM 0 HD21 LEU A 34 -0.193 6.615 7.145 1.00 0.36 H new ATOM 0 HD22 LEU A 34 1.123 7.766 6.811 1.00 0.36 H new ATOM 0 HD23 LEU A 34 -0.562 8.334 6.868 1.00 0.36 H new ATOM 267 N ASP A 35 -0.514 10.859 2.446 1.00 0.13 N ATOM 268 CA ASP A 35 -1.262 12.135 2.254 1.00 0.14 C ATOM 269 C ASP A 35 -2.377 11.893 1.240 1.00 0.11 C ATOM 270 O ASP A 35 -3.414 12.525 1.272 1.00 0.14 O ATOM 271 CB ASP A 35 -0.312 13.214 1.729 1.00 0.20 C ATOM 272 CG ASP A 35 -0.661 14.559 2.368 1.00 0.26 C ATOM 273 OD1 ASP A 35 -1.819 14.939 2.307 1.00 1.26 O ATOM 274 OD2 ASP A 35 0.235 15.186 2.909 1.00 0.49 O ATOM 0 H ASP A 35 0.494 10.920 2.306 1.00 0.13 H new ATOM 0 HA ASP A 35 -1.685 12.468 3.202 1.00 0.14 H new ATOM 0 HB2 ASP A 35 0.720 12.948 1.959 1.00 0.20 H new ATOM 0 HB3 ASP A 35 -0.389 13.284 0.644 1.00 0.20 H new ATOM 279 N GLY A 36 -2.173 10.957 0.357 1.00 0.12 N ATOM 280 CA GLY A 36 -3.219 10.639 -0.645 1.00 0.10 C ATOM 281 C GLY A 36 -4.279 9.773 0.032 1.00 0.09 C ATOM 282 O GLY A 36 -5.457 10.031 -0.060 1.00 0.08 O ATOM 0 H GLY A 36 -1.323 10.398 0.288 1.00 0.12 H new ATOM 0 HA2 GLY A 36 -3.666 11.555 -1.032 1.00 0.10 H new ATOM 0 HA3 GLY A 36 -2.784 10.113 -1.495 1.00 0.10 H new ATOM 286 N ILE A 37 -3.857 8.746 0.718 1.00 0.10 N ATOM 287 CA ILE A 37 -4.820 7.846 1.413 1.00 0.09 C ATOM 288 C ILE A 37 -5.757 8.655 2.313 1.00 0.06 C ATOM 289 O ILE A 37 -6.840 8.213 2.642 1.00 0.06 O ATOM 290 CB ILE A 37 -4.054 6.843 2.275 1.00 0.09 C ATOM 291 CG1 ILE A 37 -3.104 6.030 1.392 1.00 0.14 C ATOM 292 CG2 ILE A 37 -5.050 5.902 2.958 1.00 0.10 C ATOM 293 CD1 ILE A 37 -3.904 5.280 0.331 1.00 0.16 C ATOM 0 H ILE A 37 -2.876 8.490 0.827 1.00 0.10 H new ATOM 0 HA ILE A 37 -5.408 7.322 0.659 1.00 0.09 H new ATOM 0 HB ILE A 37 -3.476 7.375 3.031 1.00 0.09 H new ATOM 0 HG12 ILE A 37 -2.380 6.691 0.916 1.00 0.14 H new ATOM 0 HG13 ILE A 37 -2.539 5.325 2.002 1.00 0.14 H new ATOM 0 HG21 ILE A 37 -4.509 5.184 3.574 1.00 0.10 H new ATOM 0 HG22 ILE A 37 -5.727 6.482 3.586 1.00 0.10 H new ATOM 0 HG23 ILE A 37 -5.625 5.369 2.201 1.00 0.10 H new ATOM 0 HD11 ILE A 37 -3.225 4.702 -0.296 1.00 0.16 H new ATOM 0 HD12 ILE A 37 -4.611 4.607 0.816 1.00 0.16 H new ATOM 0 HD13 ILE A 37 -4.449 5.994 -0.286 1.00 0.16 H new ATOM 305 N SER A 38 -5.367 9.835 2.710 1.00 0.07 N ATOM 306 CA SER A 38 -6.261 10.645 3.574 1.00 0.07 C ATOM 307 C SER A 38 -7.454 11.044 2.729 1.00 0.07 C ATOM 308 O SER A 38 -8.595 10.913 3.129 1.00 0.07 O ATOM 309 CB SER A 38 -5.526 11.894 4.059 1.00 0.11 C ATOM 310 OG SER A 38 -4.880 11.608 5.292 1.00 0.95 O ATOM 0 H SER A 38 -4.474 10.268 2.474 1.00 0.07 H new ATOM 0 HA SER A 38 -6.576 10.076 4.449 1.00 0.07 H new ATOM 0 HB2 SER A 38 -4.794 12.211 3.316 1.00 0.11 H new ATOM 0 HB3 SER A 38 -6.229 12.718 4.186 1.00 0.11 H new ATOM 0 HG SER A 38 -4.406 12.406 5.606 1.00 0.95 H new ATOM 316 N ALA A 39 -7.194 11.499 1.540 1.00 0.07 N ATOM 317 CA ALA A 39 -8.300 11.878 0.643 1.00 0.09 C ATOM 318 C ALA A 39 -8.914 10.607 0.049 1.00 0.09 C ATOM 319 O ALA A 39 -9.980 10.637 -0.533 1.00 0.11 O ATOM 320 CB ALA A 39 -7.774 12.772 -0.479 1.00 0.12 C ATOM 0 H ALA A 39 -6.258 11.623 1.154 1.00 0.07 H new ATOM 0 HA ALA A 39 -9.057 12.426 1.203 1.00 0.09 H new ATOM 0 HB1 ALA A 39 -8.596 13.049 -1.139 1.00 0.12 H new ATOM 0 HB2 ALA A 39 -7.333 13.672 -0.051 1.00 0.12 H new ATOM 0 HB3 ALA A 39 -7.017 12.233 -1.049 1.00 0.12 H new ATOM 326 N LEU A 40 -8.254 9.483 0.199 1.00 0.08 N ATOM 327 CA LEU A 40 -8.809 8.219 -0.347 1.00 0.08 C ATOM 328 C LEU A 40 -9.427 7.393 0.780 1.00 0.07 C ATOM 329 O LEU A 40 -9.971 6.335 0.546 1.00 0.09 O ATOM 330 CB LEU A 40 -7.705 7.394 -1.009 1.00 0.09 C ATOM 331 CG LEU A 40 -6.900 8.270 -1.964 1.00 0.14 C ATOM 332 CD1 LEU A 40 -5.526 7.641 -2.187 1.00 0.40 C ATOM 333 CD2 LEU A 40 -7.632 8.369 -3.300 1.00 0.15 C ATOM 0 H LEU A 40 -7.357 9.393 0.676 1.00 0.08 H new ATOM 0 HA LEU A 40 -9.569 8.471 -1.086 1.00 0.08 H new ATOM 0 HB2 LEU A 40 -7.048 6.973 -0.248 1.00 0.09 H new ATOM 0 HB3 LEU A 40 -8.142 6.556 -1.552 1.00 0.09 H new ATOM 0 HG LEU A 40 -6.784 9.266 -1.537 1.00 0.14 H new ATOM 0 HD11 LEU A 40 -4.947 8.264 -2.869 1.00 0.40 H new ATOM 0 HD12 LEU A 40 -5.003 7.563 -1.234 1.00 0.40 H new ATOM 0 HD13 LEU A 40 -5.646 6.647 -2.617 1.00 0.40 H new ATOM 0 HD21 LEU A 40 -7.058 8.995 -3.984 1.00 0.15 H new ATOM 0 HD22 LEU A 40 -7.745 7.373 -3.728 1.00 0.15 H new ATOM 0 HD23 LEU A 40 -8.616 8.810 -3.144 1.00 0.15 H new ATOM 345 N ARG A 41 -9.351 7.855 1.999 1.00 0.08 N ATOM 346 CA ARG A 41 -9.942 7.075 3.117 1.00 0.12 C ATOM 347 C ARG A 41 -10.900 7.954 3.921 1.00 0.11 C ATOM 348 O ARG A 41 -11.535 7.493 4.842 1.00 0.13 O ATOM 349 CB ARG A 41 -8.835 6.565 4.038 1.00 0.16 C ATOM 350 CG ARG A 41 -9.328 5.317 4.773 1.00 0.31 C ATOM 351 CD ARG A 41 -8.285 4.886 5.805 1.00 0.29 C ATOM 352 NE ARG A 41 -8.239 5.881 6.912 1.00 1.04 N ATOM 353 CZ ARG A 41 -7.904 5.505 8.115 1.00 0.91 C ATOM 354 NH1 ARG A 41 -6.782 4.867 8.311 1.00 1.88 N ATOM 355 NH2 ARG A 41 -8.691 5.767 9.123 1.00 0.82 N ATOM 0 H ARG A 41 -8.907 8.734 2.265 1.00 0.08 H new ATOM 0 HA ARG A 41 -10.489 6.229 2.701 1.00 0.12 H new ATOM 0 HB2 ARG A 41 -7.942 6.331 3.458 1.00 0.16 H new ATOM 0 HB3 ARG A 41 -8.557 7.338 4.755 1.00 0.16 H new ATOM 0 HG2 ARG A 41 -10.278 5.524 5.265 1.00 0.31 H new ATOM 0 HG3 ARG A 41 -9.506 4.510 4.062 1.00 0.31 H new ATOM 0 HD2 ARG A 41 -8.533 3.900 6.198 1.00 0.29 H new ATOM 0 HD3 ARG A 41 -7.305 4.804 5.335 1.00 0.29 H new ATOM 0 HE ARG A 41 -8.470 6.858 6.729 1.00 1.04 H new ATOM 0 HH11 ARG A 41 -6.167 4.663 7.523 1.00 1.88 H new ATOM 0 HH12 ARG A 41 -6.520 4.573 9.252 1.00 1.88 H new ATOM 0 HH21 ARG A 41 -9.568 6.266 8.970 1.00 0.82 H new ATOM 0 HH22 ARG A 41 -8.429 5.473 10.064 1.00 0.82 H new ATOM 369 N LYS A 42 -11.023 9.211 3.586 1.00 0.13 N ATOM 370 CA LYS A 42 -11.956 10.085 4.343 1.00 0.16 C ATOM 371 C LYS A 42 -13.363 9.891 3.784 1.00 0.13 C ATOM 372 O LYS A 42 -14.341 9.866 4.509 1.00 0.11 O ATOM 373 CB LYS A 42 -11.538 11.548 4.176 1.00 0.21 C ATOM 374 CG LYS A 42 -11.827 12.312 5.471 1.00 0.52 C ATOM 375 CD LYS A 42 -10.954 11.756 6.598 1.00 2.48 C ATOM 376 CE LYS A 42 -10.644 12.868 7.601 1.00 2.55 C ATOM 377 NZ LYS A 42 -9.174 13.108 7.637 1.00 3.52 N ATOM 0 H LYS A 42 -10.519 9.665 2.824 1.00 0.13 H new ATOM 0 HA LYS A 42 -11.934 9.827 5.402 1.00 0.16 H new ATOM 0 HB2 LYS A 42 -10.477 11.609 3.934 1.00 0.21 H new ATOM 0 HB3 LYS A 42 -12.081 12.000 3.346 1.00 0.21 H new ATOM 0 HG2 LYS A 42 -11.626 13.374 5.331 1.00 0.52 H new ATOM 0 HG3 LYS A 42 -12.881 12.219 5.733 1.00 0.52 H new ATOM 0 HD2 LYS A 42 -11.467 10.934 7.098 1.00 2.48 H new ATOM 0 HD3 LYS A 42 -10.028 11.352 6.189 1.00 2.48 H new ATOM 0 HE2 LYS A 42 -11.166 13.783 7.319 1.00 2.55 H new ATOM 0 HE3 LYS A 42 -11.002 12.589 8.592 1.00 2.55 H new ATOM 0 HZ1 LYS A 42 -8.962 13.864 8.319 1.00 3.52 H new ATOM 0 HZ2 LYS A 42 -8.687 12.236 7.925 1.00 3.52 H new ATOM 0 HZ3 LYS A 42 -8.845 13.392 6.692 1.00 3.52 H new ATOM 391 N GLU A 43 -13.466 9.738 2.492 1.00 0.15 N ATOM 392 CA GLU A 43 -14.795 9.539 1.868 1.00 0.14 C ATOM 393 C GLU A 43 -15.180 8.069 1.973 1.00 0.16 C ATOM 394 O GLU A 43 -16.299 7.734 2.333 1.00 0.11 O ATOM 395 CB GLU A 43 -14.727 9.947 0.395 1.00 0.19 C ATOM 396 CG GLU A 43 -15.789 11.011 0.111 1.00 0.29 C ATOM 397 CD GLU A 43 -16.370 10.793 -1.287 1.00 0.53 C ATOM 398 OE1 GLU A 43 -15.615 10.417 -2.169 1.00 1.31 O ATOM 399 OE2 GLU A 43 -17.560 11.006 -1.452 1.00 0.82 O ATOM 0 H GLU A 43 -12.680 9.743 1.842 1.00 0.15 H new ATOM 0 HA GLU A 43 -15.540 10.149 2.379 1.00 0.14 H new ATOM 0 HB2 GLU A 43 -13.736 10.335 0.159 1.00 0.19 H new ATOM 0 HB3 GLU A 43 -14.889 9.077 -0.242 1.00 0.19 H new ATOM 0 HG2 GLU A 43 -16.581 10.957 0.858 1.00 0.29 H new ATOM 0 HG3 GLU A 43 -15.350 12.006 0.183 1.00 0.29 H new ATOM 406 N THR A 44 -14.256 7.186 1.669 1.00 0.26 N ATOM 407 CA THR A 44 -14.556 5.729 1.746 1.00 0.30 C ATOM 408 C THR A 44 -14.337 5.206 3.171 1.00 0.33 C ATOM 409 O THR A 44 -13.837 4.118 3.378 1.00 0.49 O ATOM 410 CB THR A 44 -13.668 4.957 0.762 1.00 0.38 C ATOM 411 OG1 THR A 44 -14.053 3.589 0.753 1.00 0.46 O ATOM 412 CG2 THR A 44 -12.205 5.071 1.183 1.00 0.61 C ATOM 0 H THR A 44 -13.308 7.417 1.371 1.00 0.26 H new ATOM 0 HA THR A 44 -15.602 5.577 1.479 1.00 0.30 H new ATOM 0 HB THR A 44 -13.787 5.378 -0.236 1.00 0.38 H new ATOM 0 HG1 THR A 44 -13.951 3.215 1.653 1.00 0.46 H new ATOM 0 HG21 THR A 44 -11.580 4.520 0.480 1.00 0.61 H new ATOM 0 HG22 THR A 44 -11.908 6.120 1.188 1.00 0.61 H new ATOM 0 HG23 THR A 44 -12.080 4.654 2.182 1.00 0.61 H new ATOM 420 N CYS A 45 -14.752 5.961 4.146 1.00 0.24 N ATOM 421 CA CYS A 45 -14.633 5.530 5.561 1.00 0.34 C ATOM 422 C CYS A 45 -15.799 6.176 6.293 1.00 0.38 C ATOM 423 O CYS A 45 -16.558 5.530 6.987 1.00 0.47 O ATOM 424 CB CYS A 45 -13.311 6.008 6.169 1.00 0.64 C ATOM 425 SG CYS A 45 -13.254 5.583 7.936 1.00 1.77 S ATOM 0 H CYS A 45 -15.178 6.879 4.017 1.00 0.24 H new ATOM 0 HA CYS A 45 -14.650 4.443 5.641 1.00 0.34 H new ATOM 0 HB2 CYS A 45 -12.473 5.546 5.648 1.00 0.64 H new ATOM 0 HB3 CYS A 45 -13.211 7.086 6.042 1.00 0.64 H new ATOM 0 HG CYS A 45 -12.129 5.990 8.444 1.00 1.77 H new ATOM 430 N ASN A 46 -15.965 7.456 6.103 1.00 0.46 N ATOM 431 CA ASN A 46 -17.102 8.155 6.743 1.00 0.64 C ATOM 432 C ASN A 46 -18.386 7.688 6.054 1.00 0.61 C ATOM 433 O ASN A 46 -19.267 7.129 6.675 1.00 0.78 O ATOM 434 CB ASN A 46 -16.929 9.669 6.567 1.00 0.76 C ATOM 435 CG ASN A 46 -18.187 10.401 7.046 1.00 1.94 C ATOM 436 OD1 ASN A 46 -18.506 10.381 8.219 1.00 1.95 O ATOM 437 ND2 ASN A 46 -18.916 11.049 6.180 1.00 3.17 N ATOM 0 H ASN A 46 -15.359 8.044 5.531 1.00 0.46 H new ATOM 0 HA ASN A 46 -17.147 7.931 7.809 1.00 0.64 H new ATOM 0 HB2 ASN A 46 -16.062 10.012 7.131 1.00 0.76 H new ATOM 0 HB3 ASN A 46 -16.740 9.902 5.519 1.00 0.76 H new ATOM 0 HD21 ASN A 46 -19.756 11.540 6.486 1.00 3.17 H new ATOM 0 HD22 ASN A 46 -18.646 11.064 5.196 1.00 3.17 H new ATOM 444 N LYS A 47 -18.493 7.905 4.767 1.00 0.48 N ATOM 445 CA LYS A 47 -19.712 7.461 4.042 1.00 0.58 C ATOM 446 C LYS A 47 -19.481 6.067 3.450 1.00 0.62 C ATOM 447 O LYS A 47 -19.814 5.811 2.309 1.00 1.19 O ATOM 448 CB LYS A 47 -20.027 8.449 2.916 1.00 0.52 C ATOM 449 CG LYS A 47 -20.343 9.821 3.513 1.00 0.49 C ATOM 450 CD LYS A 47 -21.807 10.172 3.242 1.00 0.84 C ATOM 451 CE LYS A 47 -22.461 10.673 4.531 1.00 1.73 C ATOM 452 NZ LYS A 47 -23.087 12.006 4.291 1.00 2.08 N ATOM 0 H LYS A 47 -17.789 8.369 4.193 1.00 0.48 H new ATOM 0 HA LYS A 47 -20.551 7.423 4.737 1.00 0.58 H new ATOM 0 HB2 LYS A 47 -19.179 8.524 2.236 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -20.874 8.092 2.331 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -20.152 9.815 4.586 1.00 0.49 H new ATOM 0 HG3 LYS A 47 -19.690 10.578 3.078 1.00 0.49 H new ATOM 0 HD2 LYS A 47 -21.871 10.937 2.468 1.00 0.84 H new ATOM 0 HD3 LYS A 47 -22.338 9.297 2.869 1.00 0.84 H new ATOM 0 HE2 LYS A 47 -23.215 9.962 4.868 1.00 1.73 H new ATOM 0 HE3 LYS A 47 -21.716 10.747 5.323 1.00 1.73 H new ATOM 0 HZ1 LYS A 47 -23.531 12.344 5.169 1.00 2.08 H new ATOM 0 HZ2 LYS A 47 -22.357 12.683 3.989 1.00 2.08 H new ATOM 0 HZ3 LYS A 47 -23.810 11.921 3.548 1.00 2.08 H new ATOM 466 N SER A 48 -18.903 5.170 4.199 1.00 0.53 N ATOM 467 CA SER A 48 -18.646 3.808 3.648 1.00 0.45 C ATOM 468 C SER A 48 -19.442 2.750 4.416 1.00 0.75 C ATOM 469 O SER A 48 -19.365 1.576 4.119 1.00 1.19 O ATOM 470 CB SER A 48 -17.156 3.493 3.755 1.00 0.27 C ATOM 471 OG SER A 48 -16.849 2.385 2.921 1.00 1.06 O ATOM 0 H SER A 48 -18.599 5.318 5.161 1.00 0.53 H new ATOM 0 HA SER A 48 -18.960 3.791 2.604 1.00 0.45 H new ATOM 0 HB2 SER A 48 -16.567 4.361 3.458 1.00 0.27 H new ATOM 0 HB3 SER A 48 -16.893 3.268 4.789 1.00 0.27 H new ATOM 0 HG SER A 48 -17.449 2.382 2.146 1.00 1.06 H new ATOM 477 N ASN A 49 -20.200 3.141 5.408 1.00 0.57 N ATOM 478 CA ASN A 49 -20.997 2.141 6.188 1.00 0.89 C ATOM 479 C ASN A 49 -20.135 0.923 6.565 1.00 0.86 C ATOM 480 O ASN A 49 -20.650 -0.142 6.846 1.00 1.33 O ATOM 481 CB ASN A 49 -22.178 1.674 5.336 1.00 1.10 C ATOM 482 CG ASN A 49 -23.246 2.769 5.295 1.00 1.56 C ATOM 483 OD1 ASN A 49 -24.086 2.848 6.169 1.00 1.81 O ATOM 484 ND2 ASN A 49 -23.246 3.625 4.310 1.00 2.44 N ATOM 0 H ASN A 49 -20.303 4.109 5.713 1.00 0.57 H new ATOM 0 HA ASN A 49 -21.349 2.613 7.105 1.00 0.89 H new ATOM 0 HB2 ASN A 49 -21.841 1.442 4.326 1.00 1.10 H new ATOM 0 HB3 ASN A 49 -22.598 0.757 5.750 1.00 1.10 H new ATOM 0 HD21 ASN A 49 -23.951 4.361 4.274 1.00 2.44 H new ATOM 0 HD22 ASN A 49 -22.540 3.558 3.576 1.00 2.44 H new ATOM 491 N MET A 50 -18.835 1.063 6.573 1.00 0.45 N ATOM 492 CA MET A 50 -17.966 -0.096 6.928 1.00 0.54 C ATOM 493 C MET A 50 -16.599 0.410 7.396 1.00 0.50 C ATOM 494 O MET A 50 -15.579 -0.193 7.126 1.00 0.37 O ATOM 495 CB MET A 50 -17.784 -0.986 5.697 1.00 0.49 C ATOM 496 CG MET A 50 -18.938 -1.987 5.612 1.00 0.90 C ATOM 497 SD MET A 50 -18.373 -3.494 4.784 1.00 0.75 S ATOM 498 CE MET A 50 -18.876 -3.033 3.109 1.00 0.72 C ATOM 0 H MET A 50 -18.340 1.926 6.350 1.00 0.45 H new ATOM 0 HA MET A 50 -18.433 -0.668 7.730 1.00 0.54 H new ATOM 0 HB2 MET A 50 -17.753 -0.375 4.795 1.00 0.49 H new ATOM 0 HB3 MET A 50 -16.833 -1.516 5.756 1.00 0.49 H new ATOM 0 HG2 MET A 50 -19.302 -2.224 6.612 1.00 0.90 H new ATOM 0 HG3 MET A 50 -19.773 -1.550 5.064 1.00 0.90 H new ATOM 0 HE1 MET A 50 -18.156 -3.426 2.392 1.00 0.72 H new ATOM 0 HE2 MET A 50 -19.862 -3.448 2.898 1.00 0.72 H new ATOM 0 HE3 MET A 50 -18.914 -1.947 3.027 1.00 0.72 H new ATOM 660 N ASN A 62 -11.271 -9.548 5.057 1.00 1.36 N ATOM 661 CA ASN A 62 -9.817 -9.238 5.106 1.00 0.99 C ATOM 662 C ASN A 62 -9.179 -9.652 3.779 1.00 0.85 C ATOM 663 O ASN A 62 -9.144 -10.816 3.434 1.00 1.27 O ATOM 664 CB ASN A 62 -9.163 -10.016 6.252 1.00 0.82 C ATOM 665 CG ASN A 62 -8.718 -9.045 7.349 1.00 0.28 C ATOM 666 OD1 ASN A 62 -8.544 -7.868 7.101 1.00 1.31 O ATOM 667 ND2 ASN A 62 -8.523 -9.492 8.560 1.00 0.43 N ATOM 0 HA ASN A 62 -9.673 -8.170 5.271 1.00 0.99 H new ATOM 0 HB2 ASN A 62 -9.867 -10.742 6.659 1.00 0.82 H new ATOM 0 HB3 ASN A 62 -8.306 -10.577 5.880 1.00 0.82 H new ATOM 0 HD21 ASN A 62 -8.225 -8.854 9.297 1.00 0.43 H new ATOM 0 HD22 ASN A 62 -8.669 -10.480 8.769 1.00 0.43 H new ATOM 674 N LEU A 63 -8.682 -8.708 3.031 1.00 0.47 N ATOM 675 CA LEU A 63 -8.052 -9.046 1.725 1.00 0.37 C ATOM 676 C LEU A 63 -6.912 -10.044 1.951 1.00 0.29 C ATOM 677 O LEU A 63 -6.774 -10.606 3.019 1.00 0.37 O ATOM 678 CB LEU A 63 -7.503 -7.771 1.086 1.00 0.26 C ATOM 679 CG LEU A 63 -8.468 -7.282 0.004 1.00 0.67 C ATOM 680 CD1 LEU A 63 -8.054 -5.883 -0.456 1.00 0.73 C ATOM 681 CD2 LEU A 63 -8.429 -8.243 -1.189 1.00 0.99 C ATOM 0 H LEU A 63 -8.685 -7.716 3.268 1.00 0.47 H new ATOM 0 HA LEU A 63 -8.794 -9.493 1.063 1.00 0.37 H new ATOM 0 HB2 LEU A 63 -7.371 -7.000 1.845 1.00 0.26 H new ATOM 0 HB3 LEU A 63 -6.522 -7.963 0.652 1.00 0.26 H new ATOM 0 HG LEU A 63 -9.479 -7.247 0.410 1.00 0.67 H new ATOM 0 HD11 LEU A 63 -8.742 -5.535 -1.227 1.00 0.73 H new ATOM 0 HD12 LEU A 63 -8.082 -5.198 0.391 1.00 0.73 H new ATOM 0 HD13 LEU A 63 -7.043 -5.918 -0.861 1.00 0.73 H new ATOM 0 HD21 LEU A 63 -9.117 -7.894 -1.960 1.00 0.99 H new ATOM 0 HD22 LEU A 63 -7.418 -8.279 -1.594 1.00 0.99 H new ATOM 0 HD23 LEU A 63 -8.725 -9.240 -0.863 1.00 0.99 H new ATOM 693 N ASN A 64 -6.095 -10.275 0.958 1.00 0.27 N ATOM 694 CA ASN A 64 -4.977 -11.246 1.134 1.00 0.37 C ATOM 695 C ASN A 64 -3.656 -10.608 0.702 1.00 0.45 C ATOM 696 O ASN A 64 -2.799 -11.259 0.139 1.00 0.67 O ATOM 697 CB ASN A 64 -5.242 -12.492 0.284 1.00 0.46 C ATOM 698 CG ASN A 64 -5.713 -12.072 -1.111 1.00 1.54 C ATOM 699 OD1 ASN A 64 -5.331 -11.031 -1.605 1.00 2.80 O ATOM 700 ND2 ASN A 64 -6.532 -12.845 -1.770 1.00 1.76 N ATOM 0 H ASN A 64 -6.153 -9.837 0.039 1.00 0.27 H new ATOM 0 HA ASN A 64 -4.912 -11.526 2.185 1.00 0.37 H new ATOM 0 HB2 ASN A 64 -4.335 -13.092 0.207 1.00 0.46 H new ATOM 0 HB3 ASN A 64 -5.997 -13.116 0.761 1.00 0.46 H new ATOM 0 HD21 ASN A 64 -6.851 -12.575 -2.700 1.00 1.76 H new ATOM 0 HD22 ASN A 64 -6.853 -13.720 -1.355 1.00 1.76 H new ATOM 707 N LEU A 65 -3.477 -9.344 0.965 1.00 0.32 N ATOM 708 CA LEU A 65 -2.203 -8.681 0.571 1.00 0.44 C ATOM 709 C LEU A 65 -1.195 -8.800 1.724 1.00 0.68 C ATOM 710 O LEU A 65 -1.586 -8.979 2.861 1.00 1.68 O ATOM 711 CB LEU A 65 -2.462 -7.209 0.243 1.00 0.37 C ATOM 712 CG LEU A 65 -3.035 -6.490 1.463 1.00 0.44 C ATOM 713 CD1 LEU A 65 -2.490 -5.062 1.499 1.00 0.36 C ATOM 714 CD2 LEU A 65 -4.563 -6.446 1.362 1.00 0.47 C ATOM 0 H LEU A 65 -4.155 -8.743 1.434 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.795 -9.167 -0.315 1.00 0.44 H new ATOM 0 HB2 LEU A 65 -1.534 -6.729 -0.068 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -3.157 -7.132 -0.593 1.00 0.37 H new ATOM 0 HG LEU A 65 -2.748 -7.021 2.371 1.00 0.44 H new ATOM 0 HD11 LEU A 65 -2.894 -4.540 2.367 1.00 0.36 H new ATOM 0 HD12 LEU A 65 -1.402 -5.089 1.565 1.00 0.36 H new ATOM 0 HD13 LEU A 65 -2.785 -4.537 0.590 1.00 0.36 H new ATOM 0 HD21 LEU A 65 -4.971 -5.933 2.233 1.00 0.47 H new ATOM 0 HD22 LEU A 65 -4.853 -5.911 0.457 1.00 0.47 H new ATOM 0 HD23 LEU A 65 -4.955 -7.463 1.324 1.00 0.47 H new ATOM 726 N PRO A 66 0.078 -8.713 1.401 1.00 1.37 N ATOM 727 CA PRO A 66 1.155 -8.830 2.403 1.00 1.52 C ATOM 728 C PRO A 66 1.280 -7.546 3.230 1.00 0.97 C ATOM 729 O PRO A 66 1.237 -6.450 2.709 1.00 2.20 O ATOM 730 CB PRO A 66 2.413 -9.062 1.560 1.00 3.25 C ATOM 731 CG PRO A 66 2.099 -8.516 0.148 1.00 4.03 C ATOM 732 CD PRO A 66 0.565 -8.490 0.019 1.00 2.85 C ATOM 0 HA PRO A 66 0.975 -9.629 3.122 1.00 1.52 H new ATOM 0 HB2 PRO A 66 3.271 -8.548 1.993 1.00 3.25 H new ATOM 0 HB3 PRO A 66 2.663 -10.122 1.520 1.00 3.25 H new ATOM 0 HG2 PRO A 66 2.516 -7.518 0.017 1.00 4.03 H new ATOM 0 HG3 PRO A 66 2.542 -9.150 -0.620 1.00 4.03 H new ATOM 0 HD2 PRO A 66 0.215 -7.537 -0.377 1.00 2.85 H new ATOM 0 HD3 PRO A 66 0.209 -9.266 -0.658 1.00 2.85 H new ATOM 740 N LYS A 67 1.445 -7.683 4.518 1.00 0.58 N ATOM 741 CA LYS A 67 1.584 -6.483 5.389 1.00 2.12 C ATOM 742 C LYS A 67 2.896 -6.582 6.169 1.00 1.55 C ATOM 743 O LYS A 67 3.718 -7.440 5.910 1.00 1.10 O ATOM 744 CB LYS A 67 0.409 -6.420 6.368 1.00 3.59 C ATOM 745 CG LYS A 67 0.377 -7.695 7.212 1.00 4.23 C ATOM 746 CD LYS A 67 -0.643 -8.672 6.624 1.00 4.41 C ATOM 747 CE LYS A 67 -1.546 -9.203 7.739 1.00 5.77 C ATOM 748 NZ LYS A 67 -2.877 -9.563 7.173 1.00 6.25 N ATOM 0 H LYS A 67 1.490 -8.578 5.005 1.00 0.58 H new ATOM 0 HA LYS A 67 1.587 -5.582 4.776 1.00 2.12 H new ATOM 0 HB2 LYS A 67 0.506 -5.547 7.013 1.00 3.59 H new ATOM 0 HB3 LYS A 67 -0.528 -6.310 5.821 1.00 3.59 H new ATOM 0 HG2 LYS A 67 1.365 -8.154 7.234 1.00 4.23 H new ATOM 0 HG3 LYS A 67 0.114 -7.455 8.242 1.00 4.23 H new ATOM 0 HD2 LYS A 67 -1.243 -8.173 5.863 1.00 4.41 H new ATOM 0 HD3 LYS A 67 -0.129 -9.499 6.134 1.00 4.41 H new ATOM 0 HE2 LYS A 67 -1.090 -10.076 8.206 1.00 5.77 H new ATOM 0 HE3 LYS A 67 -1.662 -8.449 8.517 1.00 5.77 H new ATOM 0 HZ1 LYS A 67 -3.491 -9.924 7.931 1.00 6.25 H new ATOM 0 HZ2 LYS A 67 -3.312 -8.720 6.747 1.00 6.25 H new ATOM 0 HZ3 LYS A 67 -2.758 -10.296 6.445 1.00 6.25 H new ATOM 762 N MET A 68 3.103 -5.715 7.119 1.00 1.87 N ATOM 763 CA MET A 68 4.366 -5.767 7.908 1.00 1.35 C ATOM 764 C MET A 68 4.132 -6.534 9.210 1.00 1.14 C ATOM 765 O MET A 68 3.123 -7.186 9.388 1.00 0.84 O ATOM 766 CB MET A 68 4.826 -4.345 8.234 1.00 1.44 C ATOM 767 CG MET A 68 6.348 -4.261 8.096 1.00 1.14 C ATOM 768 SD MET A 68 6.777 -3.928 6.371 1.00 1.25 S ATOM 769 CE MET A 68 6.773 -2.124 6.485 1.00 0.85 C ATOM 0 H MET A 68 2.454 -4.974 7.384 1.00 1.87 H new ATOM 0 HA MET A 68 5.133 -6.274 7.322 1.00 1.35 H new ATOM 0 HB2 MET A 68 4.349 -3.633 7.561 1.00 1.44 H new ATOM 0 HB3 MET A 68 4.526 -4.077 9.247 1.00 1.44 H new ATOM 0 HG2 MET A 68 6.739 -3.472 8.738 1.00 1.14 H new ATOM 0 HG3 MET A 68 6.806 -5.195 8.422 1.00 1.14 H new ATOM 0 HE1 MET A 68 6.303 -1.704 5.596 1.00 0.85 H new ATOM 0 HE2 MET A 68 6.215 -1.817 7.369 1.00 0.85 H new ATOM 0 HE3 MET A 68 7.798 -1.762 6.559 1.00 0.85 H new ATOM 779 N ALA A 69 5.063 -6.461 10.121 1.00 1.31 N ATOM 780 CA ALA A 69 4.903 -7.184 11.414 1.00 1.13 C ATOM 781 C ALA A 69 6.104 -6.885 12.312 1.00 1.27 C ATOM 782 O ALA A 69 6.933 -6.054 11.999 1.00 1.54 O ATOM 783 CB ALA A 69 4.821 -8.689 11.150 1.00 0.94 C ATOM 0 H ALA A 69 5.929 -5.931 10.025 1.00 1.31 H new ATOM 0 HA ALA A 69 3.989 -6.854 11.908 1.00 1.13 H new ATOM 0 HB1 ALA A 69 4.704 -9.218 12.096 1.00 0.94 H new ATOM 0 HB2 ALA A 69 3.966 -8.900 10.508 1.00 0.94 H new ATOM 0 HB3 ALA A 69 5.735 -9.022 10.658 1.00 0.94 H new ATOM 789 N GLU A 70 6.206 -7.554 13.427 1.00 1.18 N ATOM 790 CA GLU A 70 7.356 -7.302 14.341 1.00 1.28 C ATOM 791 C GLU A 70 8.537 -8.193 13.940 1.00 1.24 C ATOM 792 O GLU A 70 9.678 -7.887 14.224 1.00 1.28 O ATOM 793 CB GLU A 70 6.943 -7.616 15.781 1.00 1.49 C ATOM 794 CG GLU A 70 6.422 -9.052 15.863 1.00 0.41 C ATOM 795 CD GLU A 70 6.915 -9.699 17.158 1.00 1.37 C ATOM 796 OE1 GLU A 70 6.866 -9.038 18.183 1.00 1.56 O ATOM 797 OE2 GLU A 70 7.333 -10.843 17.104 1.00 2.75 O ATOM 0 H GLU A 70 5.545 -8.263 13.745 1.00 1.18 H new ATOM 0 HA GLU A 70 7.653 -6.256 14.269 1.00 1.28 H new ATOM 0 HB2 GLU A 70 7.794 -7.488 16.450 1.00 1.49 H new ATOM 0 HB3 GLU A 70 6.172 -6.919 16.109 1.00 1.49 H new ATOM 0 HG2 GLU A 70 5.332 -9.057 15.833 1.00 0.41 H new ATOM 0 HG3 GLU A 70 6.767 -9.625 15.003 1.00 0.41 H new ATOM 804 N LYS A 71 8.273 -9.291 13.285 1.00 1.15 N ATOM 805 CA LYS A 71 9.384 -10.194 12.872 1.00 1.11 C ATOM 806 C LYS A 71 9.885 -9.793 11.483 1.00 0.84 C ATOM 807 O LYS A 71 11.008 -10.073 11.113 1.00 0.82 O ATOM 808 CB LYS A 71 8.881 -11.639 12.829 1.00 1.17 C ATOM 809 CG LYS A 71 10.038 -12.592 13.130 1.00 1.90 C ATOM 810 CD LYS A 71 9.484 -13.954 13.550 1.00 2.08 C ATOM 811 CE LYS A 71 8.993 -14.710 12.314 1.00 1.56 C ATOM 812 NZ LYS A 71 7.530 -14.971 12.437 1.00 0.96 N ATOM 0 H LYS A 71 7.338 -9.601 13.019 1.00 1.15 H new ATOM 0 HA LYS A 71 10.199 -10.111 13.591 1.00 1.11 H new ATOM 0 HB2 LYS A 71 8.082 -11.779 13.557 1.00 1.17 H new ATOM 0 HB3 LYS A 71 8.460 -11.860 11.848 1.00 1.17 H new ATOM 0 HG2 LYS A 71 10.671 -12.701 12.249 1.00 1.90 H new ATOM 0 HG3 LYS A 71 10.663 -12.182 13.923 1.00 1.90 H new ATOM 0 HD2 LYS A 71 10.256 -14.531 14.059 1.00 2.08 H new ATOM 0 HD3 LYS A 71 8.665 -13.823 14.258 1.00 2.08 H new ATOM 0 HE2 LYS A 71 9.195 -14.128 11.415 1.00 1.56 H new ATOM 0 HE3 LYS A 71 9.533 -15.651 12.212 1.00 1.56 H new ATOM 0 HZ1 LYS A 71 7.197 -15.485 11.596 1.00 0.96 H new ATOM 0 HZ2 LYS A 71 7.350 -15.543 13.287 1.00 0.96 H new ATOM 0 HZ3 LYS A 71 7.021 -14.067 12.514 1.00 0.96 H new ATOM 826 N ASP A 72 9.060 -9.142 10.708 1.00 0.70 N ATOM 827 CA ASP A 72 9.489 -8.726 9.339 1.00 0.64 C ATOM 828 C ASP A 72 10.812 -7.964 9.424 1.00 0.50 C ATOM 829 O ASP A 72 11.606 -7.972 8.504 1.00 0.71 O ATOM 830 CB ASP A 72 8.421 -7.822 8.721 1.00 1.09 C ATOM 831 CG ASP A 72 7.373 -8.679 8.009 1.00 1.82 C ATOM 832 OD1 ASP A 72 7.766 -9.574 7.279 1.00 1.88 O ATOM 833 OD2 ASP A 72 6.196 -8.426 8.206 1.00 2.72 O ATOM 0 H ASP A 72 8.108 -8.880 10.962 1.00 0.70 H new ATOM 0 HA ASP A 72 9.620 -9.612 8.718 1.00 0.64 H new ATOM 0 HB2 ASP A 72 7.947 -7.219 9.496 1.00 1.09 H new ATOM 0 HB3 ASP A 72 8.880 -7.130 8.015 1.00 1.09 H new ATOM 838 N GLY A 73 11.056 -7.304 10.523 1.00 0.53 N ATOM 839 CA GLY A 73 12.327 -6.541 10.668 1.00 0.93 C ATOM 840 C GLY A 73 12.060 -5.044 10.482 1.00 0.80 C ATOM 841 O GLY A 73 12.975 -4.260 10.318 1.00 1.01 O ATOM 0 H GLY A 73 10.430 -7.260 11.327 1.00 0.53 H new ATOM 0 HA2 GLY A 73 12.760 -6.723 11.652 1.00 0.93 H new ATOM 0 HA3 GLY A 73 13.053 -6.884 9.931 1.00 0.93 H new ATOM 845 N CYS A 74 10.819 -4.635 10.509 1.00 0.55 N ATOM 846 CA CYS A 74 10.510 -3.188 10.338 1.00 0.64 C ATOM 847 C CYS A 74 10.217 -2.566 11.705 1.00 0.69 C ATOM 848 O CYS A 74 9.583 -1.534 11.804 1.00 0.81 O ATOM 849 CB CYS A 74 9.287 -3.028 9.432 1.00 0.54 C ATOM 850 SG CYS A 74 9.722 -3.509 7.743 1.00 0.91 S ATOM 0 H CYS A 74 10.009 -5.240 10.642 1.00 0.55 H new ATOM 0 HA CYS A 74 11.364 -2.686 9.884 1.00 0.64 H new ATOM 0 HB2 CYS A 74 8.467 -3.646 9.798 1.00 0.54 H new ATOM 0 HB3 CYS A 74 8.940 -1.995 9.450 1.00 0.54 H new ATOM 855 N PHE A 75 10.671 -3.185 12.760 1.00 0.62 N ATOM 856 CA PHE A 75 10.418 -2.628 14.117 1.00 0.68 C ATOM 857 C PHE A 75 11.721 -2.638 14.918 1.00 0.92 C ATOM 858 O PHE A 75 12.622 -3.406 14.644 1.00 0.85 O ATOM 859 CB PHE A 75 9.371 -3.484 14.834 1.00 0.52 C ATOM 860 CG PHE A 75 7.988 -3.082 14.378 1.00 0.51 C ATOM 861 CD1 PHE A 75 7.578 -3.343 13.065 1.00 0.99 C ATOM 862 CD2 PHE A 75 7.116 -2.447 15.269 1.00 2.13 C ATOM 863 CE1 PHE A 75 6.296 -2.971 12.644 1.00 0.66 C ATOM 864 CE2 PHE A 75 5.833 -2.075 14.848 1.00 2.51 C ATOM 865 CZ PHE A 75 5.423 -2.337 13.536 1.00 1.21 C ATOM 0 H PHE A 75 11.206 -4.053 12.740 1.00 0.62 H new ATOM 0 HA PHE A 75 10.051 -1.606 14.029 1.00 0.68 H new ATOM 0 HB2 PHE A 75 9.542 -4.539 14.622 1.00 0.52 H new ATOM 0 HB3 PHE A 75 9.460 -3.357 15.913 1.00 0.52 H new ATOM 0 HD1 PHE A 75 8.251 -3.832 12.376 1.00 0.99 H new ATOM 0 HD2 PHE A 75 7.432 -2.244 16.281 1.00 2.13 H new ATOM 0 HE1 PHE A 75 5.980 -3.173 11.631 1.00 0.66 H new ATOM 0 HE2 PHE A 75 5.160 -1.586 15.536 1.00 2.51 H new ATOM 0 HZ PHE A 75 4.434 -2.050 13.212 1.00 1.21 H new ATOM 875 N GLN A 76 11.828 -1.792 15.905 1.00 1.38 N ATOM 876 CA GLN A 76 13.074 -1.753 16.721 1.00 1.64 C ATOM 877 C GLN A 76 13.353 -3.142 17.298 1.00 1.53 C ATOM 878 O GLN A 76 14.476 -3.477 17.620 1.00 1.61 O ATOM 879 CB GLN A 76 12.900 -0.751 17.864 1.00 1.99 C ATOM 880 CG GLN A 76 14.164 0.102 17.990 1.00 2.69 C ATOM 881 CD GLN A 76 14.136 0.865 19.316 1.00 2.73 C ATOM 882 OE1 GLN A 76 13.685 0.349 20.319 1.00 2.00 O ATOM 883 NE2 GLN A 76 14.602 2.082 19.362 1.00 3.79 N ATOM 0 H GLN A 76 11.107 -1.126 16.182 1.00 1.38 H new ATOM 0 HA GLN A 76 13.911 -1.449 16.092 1.00 1.64 H new ATOM 0 HB2 GLN A 76 12.036 -0.114 17.675 1.00 1.99 H new ATOM 0 HB3 GLN A 76 12.709 -1.278 18.799 1.00 1.99 H new ATOM 0 HG2 GLN A 76 15.049 -0.532 17.942 1.00 2.69 H new ATOM 0 HG3 GLN A 76 14.227 0.802 17.157 1.00 2.69 H new ATOM 0 HE21 GLN A 76 14.981 2.515 18.520 1.00 3.79 H new ATOM 0 HE22 GLN A 76 14.588 2.601 20.240 1.00 3.79 H new ATOM 892 N SER A 77 12.340 -3.953 17.431 1.00 1.36 N ATOM 893 CA SER A 77 12.550 -5.319 17.989 1.00 1.27 C ATOM 894 C SER A 77 13.050 -6.251 16.882 1.00 0.92 C ATOM 895 O SER A 77 12.294 -7.004 16.304 1.00 0.86 O ATOM 896 CB SER A 77 11.229 -5.852 18.545 1.00 1.44 C ATOM 897 OG SER A 77 10.311 -4.775 18.691 1.00 2.83 O ATOM 0 H SER A 77 11.377 -3.730 17.178 1.00 1.36 H new ATOM 0 HA SER A 77 13.289 -5.275 18.789 1.00 1.27 H new ATOM 0 HB2 SER A 77 10.818 -6.607 17.875 1.00 1.44 H new ATOM 0 HB3 SER A 77 11.395 -6.336 19.507 1.00 1.44 H new ATOM 0 HG SER A 77 9.463 -5.114 19.046 1.00 2.83 H new ATOM 903 N GLY A 78 14.320 -6.206 16.585 1.00 0.95 N ATOM 904 CA GLY A 78 14.869 -7.089 15.518 1.00 0.59 C ATOM 905 C GLY A 78 14.961 -6.309 14.204 1.00 0.51 C ATOM 906 O GLY A 78 14.658 -6.822 13.146 1.00 0.36 O ATOM 0 H GLY A 78 15.001 -5.595 17.036 1.00 0.95 H new ATOM 0 HA2 GLY A 78 15.855 -7.454 15.806 1.00 0.59 H new ATOM 0 HA3 GLY A 78 14.230 -7.963 15.390 1.00 0.59 H new ATOM 910 N PHE A 79 15.380 -5.074 14.264 1.00 0.67 N ATOM 911 CA PHE A 79 15.493 -4.266 13.017 1.00 0.68 C ATOM 912 C PHE A 79 16.550 -4.889 12.103 1.00 0.54 C ATOM 913 O PHE A 79 17.703 -5.009 12.465 1.00 0.61 O ATOM 914 CB PHE A 79 15.906 -2.833 13.370 1.00 0.90 C ATOM 915 CG PHE A 79 15.780 -1.953 12.149 1.00 0.89 C ATOM 916 CD1 PHE A 79 14.605 -1.978 11.386 1.00 0.80 C ATOM 917 CD2 PHE A 79 16.836 -1.110 11.779 1.00 1.08 C ATOM 918 CE1 PHE A 79 14.486 -1.161 10.255 1.00 0.87 C ATOM 919 CE2 PHE A 79 16.716 -0.293 10.647 1.00 1.08 C ATOM 920 CZ PHE A 79 15.542 -0.320 9.886 1.00 0.95 C ATOM 0 H PHE A 79 15.648 -4.591 15.121 1.00 0.67 H new ATOM 0 HA PHE A 79 14.530 -4.250 12.506 1.00 0.68 H new ATOM 0 HB2 PHE A 79 15.276 -2.450 14.173 1.00 0.90 H new ATOM 0 HB3 PHE A 79 16.933 -2.820 13.736 1.00 0.90 H new ATOM 0 HD1 PHE A 79 13.791 -2.628 11.670 1.00 0.80 H new ATOM 0 HD2 PHE A 79 17.742 -1.090 12.366 1.00 1.08 H new ATOM 0 HE1 PHE A 79 13.580 -1.180 9.668 1.00 0.87 H new ATOM 0 HE2 PHE A 79 17.530 0.358 10.362 1.00 1.08 H new ATOM 0 HZ PHE A 79 15.451 0.309 9.013 1.00 0.95 H new ATOM 930 N ASN A 80 16.168 -5.286 10.920 1.00 0.44 N ATOM 931 CA ASN A 80 17.156 -5.898 9.989 1.00 0.46 C ATOM 932 C ASN A 80 17.602 -4.860 8.968 1.00 0.65 C ATOM 933 O ASN A 80 18.689 -4.932 8.436 1.00 1.99 O ATOM 934 CB ASN A 80 16.524 -7.093 9.273 1.00 0.39 C ATOM 935 CG ASN A 80 16.958 -8.390 9.958 1.00 0.45 C ATOM 936 OD1 ASN A 80 17.844 -8.386 10.790 1.00 0.80 O ATOM 937 ND2 ASN A 80 16.369 -9.510 9.641 1.00 1.10 N ATOM 0 H ASN A 80 15.217 -5.213 10.559 1.00 0.44 H new ATOM 0 HA ASN A 80 18.021 -6.242 10.556 1.00 0.46 H new ATOM 0 HB2 ASN A 80 15.438 -7.007 9.290 1.00 0.39 H new ATOM 0 HB3 ASN A 80 16.827 -7.104 8.226 1.00 0.39 H new ATOM 0 HD21 ASN A 80 16.652 -10.380 10.091 1.00 1.10 H new ATOM 0 HD22 ASN A 80 15.625 -9.515 8.943 1.00 1.10 H new ATOM 944 N GLU A 81 16.770 -3.893 8.709 1.00 0.69 N ATOM 945 CA GLU A 81 17.114 -2.818 7.737 1.00 0.61 C ATOM 946 C GLU A 81 16.953 -3.325 6.299 1.00 0.55 C ATOM 947 O GLU A 81 16.000 -2.994 5.625 1.00 0.49 O ATOM 948 CB GLU A 81 18.549 -2.317 7.961 1.00 0.66 C ATOM 949 CG GLU A 81 18.798 -2.119 9.457 1.00 0.64 C ATOM 950 CD GLU A 81 20.000 -2.958 9.892 1.00 1.56 C ATOM 951 OE1 GLU A 81 21.087 -2.696 9.402 1.00 1.44 O ATOM 952 OE2 GLU A 81 19.815 -3.847 10.705 1.00 2.73 O ATOM 0 H GLU A 81 15.849 -3.800 9.137 1.00 0.69 H new ATOM 0 HA GLU A 81 16.429 -1.986 7.897 1.00 0.61 H new ATOM 0 HB2 GLU A 81 19.262 -3.034 7.556 1.00 0.66 H new ATOM 0 HB3 GLU A 81 18.704 -1.378 7.429 1.00 0.66 H new ATOM 0 HG2 GLU A 81 18.981 -1.066 9.669 1.00 0.64 H new ATOM 0 HG3 GLU A 81 17.914 -2.410 10.025 1.00 0.64 H new ATOM 959 N GLU A 82 17.874 -4.115 5.816 1.00 0.61 N ATOM 960 CA GLU A 82 17.764 -4.624 4.419 1.00 0.62 C ATOM 961 C GLU A 82 16.549 -5.549 4.291 1.00 0.56 C ATOM 962 O GLU A 82 15.998 -5.715 3.221 1.00 0.59 O ATOM 963 CB GLU A 82 19.035 -5.403 4.064 1.00 0.69 C ATOM 964 CG GLU A 82 18.960 -5.878 2.610 1.00 0.41 C ATOM 965 CD GLU A 82 19.892 -7.074 2.415 1.00 0.56 C ATOM 966 OE1 GLU A 82 19.501 -8.171 2.779 1.00 0.32 O ATOM 967 OE2 GLU A 82 20.983 -6.874 1.907 1.00 1.39 O ATOM 0 H GLU A 82 18.698 -4.430 6.329 1.00 0.61 H new ATOM 0 HA GLU A 82 17.643 -3.781 3.739 1.00 0.62 H new ATOM 0 HB2 GLU A 82 19.912 -4.771 4.206 1.00 0.69 H new ATOM 0 HB3 GLU A 82 19.147 -6.258 4.731 1.00 0.69 H new ATOM 0 HG2 GLU A 82 17.936 -6.157 2.360 1.00 0.41 H new ATOM 0 HG3 GLU A 82 19.244 -5.069 1.937 1.00 0.41 H new ATOM 974 N THR A 83 16.122 -6.150 5.367 1.00 0.48 N ATOM 975 CA THR A 83 14.944 -7.059 5.286 1.00 0.43 C ATOM 976 C THR A 83 13.663 -6.229 5.321 1.00 0.37 C ATOM 977 O THR A 83 12.632 -6.637 4.823 1.00 0.29 O ATOM 978 CB THR A 83 14.959 -8.027 6.470 1.00 0.37 C ATOM 979 OG1 THR A 83 16.250 -8.608 6.587 1.00 0.54 O ATOM 980 CG2 THR A 83 13.921 -9.127 6.242 1.00 0.40 C ATOM 0 H THR A 83 16.535 -6.052 6.294 1.00 0.48 H new ATOM 0 HA THR A 83 14.986 -7.627 4.357 1.00 0.43 H new ATOM 0 HB THR A 83 14.719 -7.487 7.386 1.00 0.37 H new ATOM 0 HG1 THR A 83 16.171 -9.507 6.969 1.00 0.54 H new ATOM 0 HG21 THR A 83 13.931 -9.817 7.085 1.00 0.40 H new ATOM 0 HG22 THR A 83 12.931 -8.680 6.151 1.00 0.40 H new ATOM 0 HG23 THR A 83 14.160 -9.669 5.327 1.00 0.40 H new ATOM 988 N CYS A 84 13.717 -5.063 5.904 1.00 0.45 N ATOM 989 CA CYS A 84 12.503 -4.207 5.964 1.00 0.40 C ATOM 990 C CYS A 84 12.333 -3.480 4.628 1.00 0.45 C ATOM 991 O CYS A 84 11.234 -3.203 4.190 1.00 0.70 O ATOM 992 CB CYS A 84 12.655 -3.182 7.089 1.00 0.37 C ATOM 993 SG CYS A 84 11.149 -2.185 7.206 1.00 1.30 S ATOM 0 H CYS A 84 14.550 -4.668 6.341 1.00 0.45 H new ATOM 0 HA CYS A 84 11.627 -4.826 6.157 1.00 0.40 H new ATOM 0 HB2 CYS A 84 12.842 -3.690 8.035 1.00 0.37 H new ATOM 0 HB3 CYS A 84 13.515 -2.540 6.897 1.00 0.37 H new ATOM 998 N LEU A 85 13.422 -3.174 3.977 1.00 0.30 N ATOM 999 CA LEU A 85 13.345 -2.469 2.666 1.00 0.32 C ATOM 1000 C LEU A 85 12.910 -3.465 1.587 1.00 0.33 C ATOM 1001 O LEU A 85 12.129 -3.149 0.712 1.00 0.32 O ATOM 1002 CB LEU A 85 14.729 -1.909 2.323 1.00 0.36 C ATOM 1003 CG LEU A 85 14.590 -0.691 1.409 1.00 0.55 C ATOM 1004 CD1 LEU A 85 13.779 0.394 2.120 1.00 0.53 C ATOM 1005 CD2 LEU A 85 15.985 -0.153 1.080 1.00 0.76 C ATOM 0 H LEU A 85 14.367 -3.383 4.299 1.00 0.30 H new ATOM 0 HA LEU A 85 12.623 -1.654 2.719 1.00 0.32 H new ATOM 0 HB2 LEU A 85 15.254 -1.630 3.237 1.00 0.36 H new ATOM 0 HB3 LEU A 85 15.329 -2.675 1.832 1.00 0.36 H new ATOM 0 HG LEU A 85 14.078 -0.977 0.490 1.00 0.55 H new ATOM 0 HD11 LEU A 85 13.681 1.261 1.467 1.00 0.53 H new ATOM 0 HD12 LEU A 85 12.789 0.008 2.362 1.00 0.53 H new ATOM 0 HD13 LEU A 85 14.289 0.687 3.038 1.00 0.53 H new ATOM 0 HD21 LEU A 85 15.895 0.716 0.428 1.00 0.76 H new ATOM 0 HD22 LEU A 85 16.491 0.135 2.002 1.00 0.76 H new ATOM 0 HD23 LEU A 85 16.564 -0.927 0.575 1.00 0.76 H new ATOM 1017 N VAL A 86 13.414 -4.666 1.653 1.00 0.33 N ATOM 1018 CA VAL A 86 13.045 -5.702 0.647 1.00 0.31 C ATOM 1019 C VAL A 86 11.587 -6.128 0.857 1.00 0.16 C ATOM 1020 O VAL A 86 10.849 -6.336 -0.084 1.00 0.28 O ATOM 1021 CB VAL A 86 13.950 -6.915 0.841 1.00 0.53 C ATOM 1022 CG1 VAL A 86 13.646 -7.959 -0.230 1.00 0.93 C ATOM 1023 CG2 VAL A 86 15.413 -6.483 0.727 1.00 0.73 C ATOM 0 H VAL A 86 14.072 -4.977 2.368 1.00 0.33 H new ATOM 0 HA VAL A 86 13.163 -5.298 -0.358 1.00 0.31 H new ATOM 0 HB VAL A 86 13.771 -7.344 1.827 1.00 0.53 H new ATOM 0 HG11 VAL A 86 14.294 -8.824 -0.089 1.00 0.93 H new ATOM 0 HG12 VAL A 86 12.604 -8.269 -0.151 1.00 0.93 H new ATOM 0 HG13 VAL A 86 13.823 -7.530 -1.216 1.00 0.93 H new ATOM 0 HG21 VAL A 86 16.060 -7.349 0.866 1.00 0.73 H new ATOM 0 HG22 VAL A 86 15.589 -6.052 -0.259 1.00 0.73 H new ATOM 0 HG23 VAL A 86 15.633 -5.739 1.493 1.00 0.73 H new ATOM 1033 N LYS A 87 11.166 -6.269 2.088 1.00 0.26 N ATOM 1034 CA LYS A 87 9.759 -6.688 2.345 1.00 0.42 C ATOM 1035 C LYS A 87 8.805 -5.624 1.803 1.00 0.44 C ATOM 1036 O LYS A 87 7.813 -5.932 1.175 1.00 0.70 O ATOM 1037 CB LYS A 87 9.534 -6.861 3.848 1.00 0.54 C ATOM 1038 CG LYS A 87 9.639 -8.344 4.218 1.00 1.12 C ATOM 1039 CD LYS A 87 8.591 -9.145 3.439 1.00 0.22 C ATOM 1040 CE LYS A 87 7.958 -10.190 4.359 1.00 0.33 C ATOM 1041 NZ LYS A 87 7.502 -11.354 3.547 1.00 0.94 N ATOM 0 H LYS A 87 11.734 -6.113 2.921 1.00 0.26 H new ATOM 0 HA LYS A 87 9.569 -7.637 1.844 1.00 0.42 H new ATOM 0 HB2 LYS A 87 10.272 -6.284 4.405 1.00 0.54 H new ATOM 0 HB3 LYS A 87 8.553 -6.476 4.125 1.00 0.54 H new ATOM 0 HG2 LYS A 87 10.638 -8.716 3.991 1.00 1.12 H new ATOM 0 HG3 LYS A 87 9.487 -8.473 5.290 1.00 1.12 H new ATOM 0 HD2 LYS A 87 7.824 -8.477 3.049 1.00 0.22 H new ATOM 0 HD3 LYS A 87 9.055 -9.633 2.582 1.00 0.22 H new ATOM 0 HE2 LYS A 87 8.680 -10.516 5.108 1.00 0.33 H new ATOM 0 HE3 LYS A 87 7.115 -9.755 4.896 1.00 0.33 H new ATOM 0 HZ1 LYS A 87 7.071 -12.065 4.171 1.00 0.94 H new ATOM 0 HZ2 LYS A 87 6.800 -11.036 2.848 1.00 0.94 H new ATOM 0 HZ3 LYS A 87 8.316 -11.773 3.054 1.00 0.94 H new ATOM 1055 N ILE A 88 9.101 -4.373 2.026 1.00 0.50 N ATOM 1056 CA ILE A 88 8.209 -3.298 1.499 1.00 0.75 C ATOM 1057 C ILE A 88 8.405 -3.194 -0.017 1.00 0.55 C ATOM 1058 O ILE A 88 7.575 -2.670 -0.731 1.00 0.46 O ATOM 1059 CB ILE A 88 8.558 -1.963 2.164 1.00 1.10 C ATOM 1060 CG1 ILE A 88 8.281 -2.063 3.667 1.00 1.32 C ATOM 1061 CG2 ILE A 88 7.699 -0.849 1.558 1.00 1.52 C ATOM 1062 CD1 ILE A 88 8.577 -0.719 4.339 1.00 0.70 C ATOM 0 H ILE A 88 9.916 -4.049 2.547 1.00 0.50 H new ATOM 0 HA ILE A 88 7.169 -3.537 1.720 1.00 0.75 H new ATOM 0 HB ILE A 88 9.611 -1.735 1.999 1.00 1.10 H new ATOM 0 HG12 ILE A 88 7.242 -2.344 3.837 1.00 1.32 H new ATOM 0 HG13 ILE A 88 8.899 -2.845 4.109 1.00 1.32 H new ATOM 0 HG21 ILE A 88 7.948 0.101 2.032 1.00 1.52 H new ATOM 0 HG22 ILE A 88 7.892 -0.782 0.487 1.00 1.52 H new ATOM 0 HG23 ILE A 88 6.645 -1.072 1.723 1.00 1.52 H new ATOM 0 HD11 ILE A 88 8.378 -0.795 5.408 1.00 0.70 H new ATOM 0 HD12 ILE A 88 9.623 -0.456 4.182 1.00 0.70 H new ATOM 0 HD13 ILE A 88 7.940 0.052 3.906 1.00 0.70 H new ATOM 1074 N ILE A 89 9.504 -3.699 -0.509 1.00 0.51 N ATOM 1075 CA ILE A 89 9.780 -3.654 -1.970 1.00 0.43 C ATOM 1076 C ILE A 89 8.772 -4.572 -2.690 1.00 0.21 C ATOM 1077 O ILE A 89 7.948 -4.126 -3.474 1.00 0.18 O ATOM 1078 CB ILE A 89 11.252 -4.103 -2.162 1.00 0.65 C ATOM 1079 CG1 ILE A 89 12.140 -2.857 -2.211 1.00 0.27 C ATOM 1080 CG2 ILE A 89 11.485 -4.919 -3.441 1.00 1.19 C ATOM 1081 CD1 ILE A 89 13.610 -3.266 -2.085 1.00 0.81 C ATOM 0 H ILE A 89 10.231 -4.147 0.049 1.00 0.51 H new ATOM 0 HA ILE A 89 9.660 -2.658 -2.396 1.00 0.43 H new ATOM 0 HB ILE A 89 11.498 -4.751 -1.321 1.00 0.65 H new ATOM 0 HG12 ILE A 89 11.980 -2.321 -3.147 1.00 0.27 H new ATOM 0 HG13 ILE A 89 11.872 -2.175 -1.404 1.00 0.27 H new ATOM 0 HG21 ILE A 89 12.537 -5.198 -3.508 1.00 1.19 H new ATOM 0 HG22 ILE A 89 10.872 -5.820 -3.415 1.00 1.19 H new ATOM 0 HG23 ILE A 89 11.212 -4.320 -4.310 1.00 1.19 H new ATOM 0 HD11 ILE A 89 14.239 -2.377 -2.120 1.00 0.81 H new ATOM 0 HD12 ILE A 89 13.764 -3.782 -1.137 1.00 0.81 H new ATOM 0 HD13 ILE A 89 13.875 -3.931 -2.907 1.00 0.81 H new ATOM 1093 N THR A 90 8.826 -5.848 -2.424 1.00 0.20 N ATOM 1094 CA THR A 90 7.878 -6.785 -3.085 1.00 0.36 C ATOM 1095 C THR A 90 6.464 -6.505 -2.579 1.00 0.45 C ATOM 1096 O THR A 90 5.488 -6.769 -3.252 1.00 0.58 O ATOM 1097 CB THR A 90 8.280 -8.221 -2.754 1.00 0.62 C ATOM 1098 OG1 THR A 90 7.389 -9.121 -3.400 1.00 1.70 O ATOM 1099 CG2 THR A 90 8.222 -8.438 -1.241 1.00 0.63 C ATOM 0 H THR A 90 9.486 -6.281 -1.778 1.00 0.20 H new ATOM 0 HA THR A 90 7.905 -6.647 -4.166 1.00 0.36 H new ATOM 0 HB THR A 90 9.297 -8.402 -3.103 1.00 0.62 H new ATOM 0 HG1 THR A 90 7.355 -8.917 -4.358 1.00 1.70 H new ATOM 0 HG21 THR A 90 8.509 -9.464 -1.009 1.00 0.63 H new ATOM 0 HG22 THR A 90 8.908 -7.749 -0.748 1.00 0.63 H new ATOM 0 HG23 THR A 90 7.208 -8.257 -0.886 1.00 0.63 H new ATOM 1107 N GLY A 91 6.350 -5.956 -1.402 1.00 0.55 N ATOM 1108 CA GLY A 91 5.002 -5.638 -0.855 1.00 0.70 C ATOM 1109 C GLY A 91 4.462 -4.393 -1.560 1.00 0.54 C ATOM 1110 O GLY A 91 3.270 -4.167 -1.617 1.00 0.49 O ATOM 0 H GLY A 91 7.133 -5.714 -0.795 1.00 0.55 H new ATOM 0 HA2 GLY A 91 4.326 -6.480 -1.006 1.00 0.70 H new ATOM 0 HA3 GLY A 91 5.062 -5.466 0.220 1.00 0.70 H new ATOM 1114 N LEU A 92 5.334 -3.586 -2.107 1.00 0.50 N ATOM 1115 CA LEU A 92 4.876 -2.361 -2.818 1.00 0.42 C ATOM 1116 C LEU A 92 4.365 -2.758 -4.202 1.00 0.27 C ATOM 1117 O LEU A 92 3.465 -2.147 -4.735 1.00 0.29 O ATOM 1118 CB LEU A 92 6.046 -1.385 -2.965 1.00 0.51 C ATOM 1119 CG LEU A 92 6.094 -0.455 -1.753 1.00 0.51 C ATOM 1120 CD1 LEU A 92 7.504 0.120 -1.608 1.00 0.73 C ATOM 1121 CD2 LEU A 92 5.097 0.690 -1.949 1.00 0.34 C ATOM 0 H LEU A 92 6.344 -3.725 -2.091 1.00 0.50 H new ATOM 0 HA LEU A 92 4.079 -1.880 -2.251 1.00 0.42 H new ATOM 0 HB2 LEU A 92 6.983 -1.935 -3.051 1.00 0.51 H new ATOM 0 HB3 LEU A 92 5.934 -0.802 -3.879 1.00 0.51 H new ATOM 0 HG LEU A 92 5.834 -1.015 -0.855 1.00 0.51 H new ATOM 0 HD11 LEU A 92 7.539 0.783 -0.744 1.00 0.73 H new ATOM 0 HD12 LEU A 92 8.216 -0.693 -1.470 1.00 0.73 H new ATOM 0 HD13 LEU A 92 7.763 0.680 -2.506 1.00 0.73 H new ATOM 0 HD21 LEU A 92 5.131 1.354 -1.085 1.00 0.34 H new ATOM 0 HD22 LEU A 92 5.358 1.250 -2.847 1.00 0.34 H new ATOM 0 HD23 LEU A 92 4.091 0.283 -2.055 1.00 0.34 H new ATOM 1133 N LEU A 93 4.933 -3.782 -4.789 1.00 0.19 N ATOM 1134 CA LEU A 93 4.463 -4.223 -6.140 1.00 0.08 C ATOM 1135 C LEU A 93 3.024 -4.741 -6.022 1.00 0.10 C ATOM 1136 O LEU A 93 2.131 -4.321 -6.745 1.00 0.07 O ATOM 1137 CB LEU A 93 5.368 -5.345 -6.653 1.00 0.17 C ATOM 1138 CG LEU A 93 6.624 -4.743 -7.281 1.00 0.58 C ATOM 1139 CD1 LEU A 93 7.858 -5.445 -6.714 1.00 0.49 C ATOM 1140 CD2 LEU A 93 6.578 -4.942 -8.798 1.00 0.92 C ATOM 0 H LEU A 93 5.698 -4.330 -4.394 1.00 0.19 H new ATOM 0 HA LEU A 93 4.498 -3.385 -6.836 1.00 0.08 H new ATOM 0 HB2 LEU A 93 5.642 -6.009 -5.833 1.00 0.17 H new ATOM 0 HB3 LEU A 93 4.835 -5.949 -7.388 1.00 0.17 H new ATOM 0 HG LEU A 93 6.673 -3.678 -7.054 1.00 0.58 H new ATOM 0 HD11 LEU A 93 8.756 -5.018 -7.160 1.00 0.49 H new ATOM 0 HD12 LEU A 93 7.889 -5.309 -5.633 1.00 0.49 H new ATOM 0 HD13 LEU A 93 7.809 -6.509 -6.944 1.00 0.49 H new ATOM 0 HD21 LEU A 93 7.473 -4.513 -9.249 1.00 0.92 H new ATOM 0 HD22 LEU A 93 6.533 -6.007 -9.024 1.00 0.92 H new ATOM 0 HD23 LEU A 93 5.695 -4.447 -9.203 1.00 0.92 H new ATOM 1152 N GLU A 94 2.782 -5.636 -5.101 1.00 0.20 N ATOM 1153 CA GLU A 94 1.397 -6.148 -4.922 1.00 0.23 C ATOM 1154 C GLU A 94 0.525 -4.955 -4.548 1.00 0.17 C ATOM 1155 O GLU A 94 -0.569 -4.778 -5.043 1.00 0.16 O ATOM 1156 CB GLU A 94 1.365 -7.186 -3.797 1.00 0.33 C ATOM 1157 CG GLU A 94 1.688 -8.572 -4.363 1.00 0.65 C ATOM 1158 CD GLU A 94 0.672 -9.587 -3.834 1.00 0.82 C ATOM 1159 OE1 GLU A 94 0.847 -10.046 -2.718 1.00 1.32 O ATOM 1160 OE2 GLU A 94 -0.266 -9.889 -4.556 1.00 1.62 O ATOM 0 H GLU A 94 3.480 -6.031 -4.470 1.00 0.20 H new ATOM 0 HA GLU A 94 1.038 -6.624 -5.834 1.00 0.23 H new ATOM 0 HB2 GLU A 94 2.087 -6.921 -3.024 1.00 0.33 H new ATOM 0 HB3 GLU A 94 0.382 -7.195 -3.326 1.00 0.33 H new ATOM 0 HG2 GLU A 94 1.660 -8.547 -5.452 1.00 0.65 H new ATOM 0 HG3 GLU A 94 2.697 -8.868 -4.076 1.00 0.65 H new ATOM 1167 N PHE A 95 1.032 -4.110 -3.695 1.00 0.20 N ATOM 1168 CA PHE A 95 0.271 -2.896 -3.298 1.00 0.20 C ATOM 1169 C PHE A 95 -0.082 -2.117 -4.562 1.00 0.14 C ATOM 1170 O PHE A 95 -1.093 -1.459 -4.640 1.00 0.16 O ATOM 1171 CB PHE A 95 1.161 -2.024 -2.408 1.00 0.29 C ATOM 1172 CG PHE A 95 0.892 -2.307 -0.947 1.00 0.33 C ATOM 1173 CD1 PHE A 95 0.498 -3.585 -0.530 1.00 0.80 C ATOM 1174 CD2 PHE A 95 1.041 -1.282 -0.007 1.00 0.34 C ATOM 1175 CE1 PHE A 95 0.253 -3.836 0.822 1.00 0.82 C ATOM 1176 CE2 PHE A 95 0.797 -1.531 1.345 1.00 0.36 C ATOM 1177 CZ PHE A 95 0.402 -2.809 1.762 1.00 0.40 C ATOM 0 H PHE A 95 1.946 -4.210 -3.254 1.00 0.20 H new ATOM 0 HA PHE A 95 -0.634 -3.173 -2.758 1.00 0.20 H new ATOM 0 HB2 PHE A 95 2.210 -2.216 -2.634 1.00 0.29 H new ATOM 0 HB3 PHE A 95 0.976 -0.971 -2.620 1.00 0.29 H new ATOM 0 HD1 PHE A 95 0.384 -4.377 -1.255 1.00 0.80 H new ATOM 0 HD2 PHE A 95 1.345 -0.297 -0.327 1.00 0.34 H new ATOM 0 HE1 PHE A 95 -0.051 -4.822 1.142 1.00 0.82 H new ATOM 0 HE2 PHE A 95 0.913 -0.738 2.069 1.00 0.36 H new ATOM 0 HZ PHE A 95 0.213 -3.002 2.808 1.00 0.40 H new ATOM 1187 N GLU A 96 0.766 -2.200 -5.549 1.00 0.11 N ATOM 1188 CA GLU A 96 0.527 -1.479 -6.827 1.00 0.14 C ATOM 1189 C GLU A 96 -0.746 -2.002 -7.486 1.00 0.12 C ATOM 1190 O GLU A 96 -1.558 -1.236 -7.959 1.00 0.18 O ATOM 1191 CB GLU A 96 1.713 -1.701 -7.762 1.00 0.15 C ATOM 1192 CG GLU A 96 1.888 -0.482 -8.666 1.00 0.48 C ATOM 1193 CD GLU A 96 0.706 -0.391 -9.634 1.00 0.98 C ATOM 1194 OE1 GLU A 96 0.277 -1.427 -10.113 1.00 1.10 O ATOM 1195 OE2 GLU A 96 0.250 0.714 -9.880 1.00 1.66 O ATOM 0 H GLU A 96 1.627 -2.746 -5.522 1.00 0.11 H new ATOM 0 HA GLU A 96 0.414 -0.414 -6.625 1.00 0.14 H new ATOM 0 HB2 GLU A 96 2.620 -1.869 -7.182 1.00 0.15 H new ATOM 0 HB3 GLU A 96 1.551 -2.594 -8.366 1.00 0.15 H new ATOM 0 HG2 GLU A 96 1.950 0.425 -8.064 1.00 0.48 H new ATOM 0 HG3 GLU A 96 2.822 -0.559 -9.222 1.00 0.48 H new ATOM 1202 N VAL A 97 -0.938 -3.296 -7.527 1.00 0.09 N ATOM 1203 CA VAL A 97 -2.187 -3.821 -8.161 1.00 0.17 C ATOM 1204 C VAL A 97 -3.387 -3.325 -7.341 1.00 0.12 C ATOM 1205 O VAL A 97 -4.443 -3.031 -7.874 1.00 0.10 O ATOM 1206 CB VAL A 97 -2.154 -5.360 -8.225 1.00 0.24 C ATOM 1207 CG1 VAL A 97 -2.115 -5.969 -6.822 1.00 0.29 C ATOM 1208 CG2 VAL A 97 -3.399 -5.869 -8.955 1.00 0.26 C ATOM 0 H VAL A 97 -0.299 -4.000 -7.157 1.00 0.09 H new ATOM 0 HA VAL A 97 -2.271 -3.458 -9.185 1.00 0.17 H new ATOM 0 HB VAL A 97 -1.253 -5.659 -8.761 1.00 0.24 H new ATOM 0 HG11 VAL A 97 -2.092 -7.056 -6.898 1.00 0.29 H new ATOM 0 HG12 VAL A 97 -1.223 -5.623 -6.300 1.00 0.29 H new ATOM 0 HG13 VAL A 97 -3.002 -5.662 -6.268 1.00 0.29 H new ATOM 0 HG21 VAL A 97 -3.375 -6.958 -9.000 1.00 0.26 H new ATOM 0 HG22 VAL A 97 -4.292 -5.548 -8.419 1.00 0.26 H new ATOM 0 HG23 VAL A 97 -3.418 -5.465 -9.967 1.00 0.26 H new ATOM 1218 N TYR A 98 -3.221 -3.187 -6.050 1.00 0.11 N ATOM 1219 CA TYR A 98 -4.334 -2.669 -5.209 1.00 0.08 C ATOM 1220 C TYR A 98 -4.515 -1.187 -5.537 1.00 0.07 C ATOM 1221 O TYR A 98 -5.595 -0.639 -5.433 1.00 0.07 O ATOM 1222 CB TYR A 98 -3.986 -2.841 -3.730 1.00 0.09 C ATOM 1223 CG TYR A 98 -4.100 -4.299 -3.363 1.00 0.08 C ATOM 1224 CD1 TYR A 98 -5.362 -4.872 -3.163 1.00 0.26 C ATOM 1225 CD2 TYR A 98 -2.948 -5.081 -3.230 1.00 0.22 C ATOM 1226 CE1 TYR A 98 -5.470 -6.227 -2.828 1.00 0.36 C ATOM 1227 CE2 TYR A 98 -3.055 -6.436 -2.897 1.00 0.30 C ATOM 1228 CZ TYR A 98 -4.317 -7.009 -2.697 1.00 0.33 C ATOM 1229 OH TYR A 98 -4.423 -8.345 -2.369 1.00 0.46 O ATOM 0 H TYR A 98 -2.363 -3.411 -5.546 1.00 0.11 H new ATOM 0 HA TYR A 98 -5.255 -3.216 -5.411 1.00 0.08 H new ATOM 0 HB2 TYR A 98 -2.975 -2.483 -3.537 1.00 0.09 H new ATOM 0 HB3 TYR A 98 -4.658 -2.244 -3.114 1.00 0.09 H new ATOM 0 HD1 TYR A 98 -6.252 -4.269 -3.267 1.00 0.26 H new ATOM 0 HD2 TYR A 98 -1.975 -4.639 -3.384 1.00 0.22 H new ATOM 0 HE1 TYR A 98 -6.443 -6.669 -2.671 1.00 0.36 H new ATOM 0 HE2 TYR A 98 -2.165 -7.039 -2.794 1.00 0.30 H new ATOM 0 HH TYR A 98 -3.534 -8.757 -2.382 1.00 0.46 H new ATOM 1239 N LEU A 99 -3.462 -0.547 -5.981 1.00 0.11 N ATOM 1240 CA LEU A 99 -3.558 0.882 -6.373 1.00 0.13 C ATOM 1241 C LEU A 99 -4.332 0.922 -7.680 1.00 0.15 C ATOM 1242 O LEU A 99 -5.061 1.849 -7.963 1.00 0.16 O ATOM 1243 CB LEU A 99 -2.161 1.463 -6.583 1.00 0.15 C ATOM 1244 CG LEU A 99 -1.441 1.547 -5.243 1.00 0.14 C ATOM 1245 CD1 LEU A 99 0.044 1.805 -5.484 1.00 0.13 C ATOM 1246 CD2 LEU A 99 -2.031 2.691 -4.423 1.00 0.25 C ATOM 0 H LEU A 99 -2.536 -0.961 -6.087 1.00 0.11 H new ATOM 0 HA LEU A 99 -4.054 1.468 -5.599 1.00 0.13 H new ATOM 0 HB2 LEU A 99 -1.595 0.838 -7.274 1.00 0.15 H new ATOM 0 HB3 LEU A 99 -2.231 2.453 -7.033 1.00 0.15 H new ATOM 0 HG LEU A 99 -1.564 0.610 -4.700 1.00 0.14 H new ATOM 0 HD11 LEU A 99 0.563 1.866 -4.527 1.00 0.13 H new ATOM 0 HD12 LEU A 99 0.464 0.990 -6.073 1.00 0.13 H new ATOM 0 HD13 LEU A 99 0.167 2.744 -6.024 1.00 0.13 H new ATOM 0 HD21 LEU A 99 -1.518 2.753 -3.463 1.00 0.25 H new ATOM 0 HD22 LEU A 99 -1.905 3.629 -4.964 1.00 0.25 H new ATOM 0 HD23 LEU A 99 -3.092 2.509 -4.255 1.00 0.25 H new ATOM 1258 N GLU A 100 -4.214 -0.127 -8.454 1.00 0.15 N ATOM 1259 CA GLU A 100 -4.973 -0.223 -9.715 1.00 0.18 C ATOM 1260 C GLU A 100 -6.441 -0.173 -9.317 1.00 0.20 C ATOM 1261 O GLU A 100 -7.275 0.416 -9.978 1.00 0.25 O ATOM 1262 CB GLU A 100 -4.649 -1.569 -10.366 1.00 0.17 C ATOM 1263 CG GLU A 100 -4.488 -1.401 -11.876 1.00 0.40 C ATOM 1264 CD GLU A 100 -3.367 -0.403 -12.164 1.00 2.34 C ATOM 1265 OE1 GLU A 100 -2.223 -0.826 -12.211 1.00 3.76 O ATOM 1266 OE2 GLU A 100 -3.669 0.767 -12.336 1.00 2.52 O ATOM 0 H GLU A 100 -3.613 -0.926 -8.254 1.00 0.15 H new ATOM 0 HA GLU A 100 -4.730 0.573 -10.419 1.00 0.18 H new ATOM 0 HB2 GLU A 100 -3.733 -1.977 -9.939 1.00 0.17 H new ATOM 0 HB3 GLU A 100 -5.444 -2.284 -10.155 1.00 0.17 H new ATOM 0 HG2 GLU A 100 -4.260 -2.362 -12.337 1.00 0.40 H new ATOM 0 HG3 GLU A 100 -5.422 -1.051 -12.315 1.00 0.40 H new ATOM 1273 N TYR A 101 -6.732 -0.771 -8.194 1.00 0.17 N ATOM 1274 CA TYR A 101 -8.110 -0.765 -7.658 1.00 0.19 C ATOM 1275 C TYR A 101 -8.542 0.675 -7.420 1.00 0.20 C ATOM 1276 O TYR A 101 -9.596 1.105 -7.841 1.00 0.26 O ATOM 1277 CB TYR A 101 -8.115 -1.517 -6.323 1.00 0.16 C ATOM 1278 CG TYR A 101 -9.207 -2.555 -6.310 1.00 0.21 C ATOM 1279 CD1 TYR A 101 -9.419 -3.367 -7.430 1.00 0.37 C ATOM 1280 CD2 TYR A 101 -10.005 -2.709 -5.170 1.00 0.26 C ATOM 1281 CE1 TYR A 101 -10.432 -4.329 -7.414 1.00 0.43 C ATOM 1282 CE2 TYR A 101 -11.017 -3.673 -5.154 1.00 0.38 C ATOM 1283 CZ TYR A 101 -11.232 -4.482 -6.275 1.00 0.41 C ATOM 1284 OH TYR A 101 -12.235 -5.426 -6.257 1.00 0.52 O ATOM 0 H TYR A 101 -6.054 -1.272 -7.619 1.00 0.17 H new ATOM 0 HA TYR A 101 -8.792 -1.242 -8.362 1.00 0.19 H new ATOM 0 HB2 TYR A 101 -7.148 -1.995 -6.164 1.00 0.16 H new ATOM 0 HB3 TYR A 101 -8.262 -0.814 -5.503 1.00 0.16 H new ATOM 0 HD1 TYR A 101 -8.799 -3.250 -8.307 1.00 0.37 H new ATOM 0 HD2 TYR A 101 -9.839 -2.084 -4.305 1.00 0.26 H new ATOM 0 HE1 TYR A 101 -10.598 -4.954 -8.279 1.00 0.43 H new ATOM 0 HE2 TYR A 101 -11.634 -3.793 -4.275 1.00 0.38 H new ATOM 0 HH TYR A 101 -12.315 -5.802 -5.355 1.00 0.52 H new ATOM 1294 N LEU A 102 -7.734 1.410 -6.721 1.00 0.16 N ATOM 1295 CA LEU A 102 -8.076 2.821 -6.408 1.00 0.19 C ATOM 1296 C LEU A 102 -7.507 3.756 -7.475 1.00 0.27 C ATOM 1297 O LEU A 102 -7.457 4.956 -7.289 1.00 0.36 O ATOM 1298 CB LEU A 102 -7.484 3.188 -5.046 1.00 0.15 C ATOM 1299 CG LEU A 102 -7.715 2.043 -4.053 1.00 0.07 C ATOM 1300 CD1 LEU A 102 -6.424 1.766 -3.284 1.00 0.08 C ATOM 1301 CD2 LEU A 102 -8.822 2.440 -3.086 1.00 0.05 C ATOM 0 H LEU A 102 -6.840 1.091 -6.348 1.00 0.16 H new ATOM 0 HA LEU A 102 -9.160 2.929 -6.388 1.00 0.19 H new ATOM 0 HB2 LEU A 102 -6.417 3.386 -5.145 1.00 0.15 H new ATOM 0 HB3 LEU A 102 -7.945 4.103 -4.674 1.00 0.15 H new ATOM 0 HG LEU A 102 -8.008 1.140 -4.589 1.00 0.07 H new ATOM 0 HD11 LEU A 102 -6.589 0.952 -2.578 1.00 0.08 H new ATOM 0 HD12 LEU A 102 -5.637 1.486 -3.984 1.00 0.08 H new ATOM 0 HD13 LEU A 102 -6.125 2.662 -2.741 1.00 0.08 H new ATOM 0 HD21 LEU A 102 -8.993 1.631 -2.376 1.00 0.05 H new ATOM 0 HD22 LEU A 102 -8.528 3.340 -2.546 1.00 0.05 H new ATOM 0 HD23 LEU A 102 -9.739 2.634 -3.642 1.00 0.05 H new ATOM 1313 N GLN A 103 -7.069 3.230 -8.585 1.00 0.25 N ATOM 1314 CA GLN A 103 -6.502 4.113 -9.638 1.00 0.33 C ATOM 1315 C GLN A 103 -7.613 4.536 -10.603 1.00 0.40 C ATOM 1316 O GLN A 103 -7.612 5.634 -11.124 1.00 0.68 O ATOM 1317 CB GLN A 103 -5.422 3.361 -10.415 1.00 0.33 C ATOM 1318 CG GLN A 103 -4.830 4.286 -11.482 1.00 0.26 C ATOM 1319 CD GLN A 103 -4.683 3.521 -12.798 1.00 0.19 C ATOM 1320 OE1 GLN A 103 -3.639 3.546 -13.418 1.00 1.07 O ATOM 1321 NE2 GLN A 103 -5.695 2.835 -13.256 1.00 1.45 N ATOM 0 H GLN A 103 -7.079 2.234 -8.806 1.00 0.25 H new ATOM 0 HA GLN A 103 -6.066 4.995 -9.169 1.00 0.33 H new ATOM 0 HB2 GLN A 103 -4.639 3.022 -9.737 1.00 0.33 H new ATOM 0 HB3 GLN A 103 -5.846 2.472 -10.882 1.00 0.33 H new ATOM 0 HG2 GLN A 103 -5.474 5.154 -11.624 1.00 0.26 H new ATOM 0 HG3 GLN A 103 -3.859 4.660 -11.156 1.00 0.26 H new ATOM 0 HE21 GLN A 103 -6.573 2.813 -12.737 1.00 1.45 H new ATOM 0 HE22 GLN A 103 -5.608 2.321 -14.133 1.00 1.45 H new ATOM 1330 N ASN A 104 -8.556 3.665 -10.856 1.00 0.43 N ATOM 1331 CA ASN A 104 -9.658 4.012 -11.799 1.00 0.50 C ATOM 1332 C ASN A 104 -11.013 3.932 -11.087 1.00 0.49 C ATOM 1333 O ASN A 104 -12.001 4.458 -11.561 1.00 0.58 O ATOM 1334 CB ASN A 104 -9.646 3.026 -12.969 1.00 0.61 C ATOM 1335 CG ASN A 104 -10.693 3.445 -14.003 1.00 0.30 C ATOM 1336 OD1 ASN A 104 -10.713 4.579 -14.438 1.00 0.74 O ATOM 1337 ND2 ASN A 104 -11.569 2.571 -14.417 1.00 1.26 N ATOM 0 H ASN A 104 -8.609 2.731 -10.451 1.00 0.43 H new ATOM 0 HA ASN A 104 -9.508 5.029 -12.162 1.00 0.50 H new ATOM 0 HB2 ASN A 104 -8.657 3.001 -13.427 1.00 0.61 H new ATOM 0 HB3 ASN A 104 -9.857 2.018 -12.611 1.00 0.61 H new ATOM 0 HD21 ASN A 104 -12.271 2.840 -15.106 1.00 1.26 H new ATOM 0 HD22 ASN A 104 -11.552 1.619 -14.051 1.00 1.26 H new ATOM 1344 N ARG A 105 -11.077 3.273 -9.961 1.00 0.46 N ATOM 1345 CA ARG A 105 -12.379 3.164 -9.241 1.00 0.46 C ATOM 1346 C ARG A 105 -12.736 4.506 -8.601 1.00 0.37 C ATOM 1347 O ARG A 105 -13.886 4.784 -8.328 1.00 0.34 O ATOM 1348 CB ARG A 105 -12.278 2.090 -8.155 1.00 0.47 C ATOM 1349 CG ARG A 105 -12.057 0.726 -8.810 1.00 1.84 C ATOM 1350 CD ARG A 105 -13.351 0.264 -9.481 1.00 2.53 C ATOM 1351 NE ARG A 105 -13.197 -1.145 -9.939 1.00 3.60 N ATOM 1352 CZ ARG A 105 -14.140 -1.711 -10.640 1.00 4.53 C ATOM 1353 NH1 ARG A 105 -14.262 -1.439 -11.911 1.00 5.78 N ATOM 1354 NH2 ARG A 105 -14.964 -2.548 -10.070 1.00 4.43 N ATOM 0 H ARG A 105 -10.289 2.808 -9.511 1.00 0.46 H new ATOM 0 HA ARG A 105 -13.157 2.889 -9.953 1.00 0.46 H new ATOM 0 HB2 ARG A 105 -11.455 2.318 -7.478 1.00 0.47 H new ATOM 0 HB3 ARG A 105 -13.189 2.075 -7.557 1.00 0.47 H new ATOM 0 HG2 ARG A 105 -11.256 0.790 -9.547 1.00 1.84 H new ATOM 0 HG3 ARG A 105 -11.744 -0.002 -8.061 1.00 1.84 H new ATOM 0 HD2 ARG A 105 -14.184 0.341 -8.782 1.00 2.53 H new ATOM 0 HD3 ARG A 105 -13.585 0.909 -10.328 1.00 2.53 H new ATOM 0 HE ARG A 105 -12.353 -1.668 -9.704 1.00 3.60 H new ATOM 0 HH11 ARG A 105 -13.620 -0.784 -12.356 1.00 5.78 H new ATOM 0 HH12 ARG A 105 -15.000 -1.882 -12.459 1.00 5.78 H new ATOM 0 HH21 ARG A 105 -14.870 -2.759 -9.077 1.00 4.43 H new ATOM 0 HH22 ARG A 105 -15.702 -2.991 -10.618 1.00 4.43 H new ATOM 1368 N PHE A 106 -11.763 5.344 -8.363 1.00 0.35 N ATOM 1369 CA PHE A 106 -12.058 6.668 -7.748 1.00 0.32 C ATOM 1370 C PHE A 106 -12.375 7.674 -8.860 1.00 0.44 C ATOM 1371 O PHE A 106 -11.664 8.639 -9.059 1.00 0.71 O ATOM 1372 CB PHE A 106 -10.840 7.148 -6.952 1.00 0.33 C ATOM 1373 CG PHE A 106 -10.971 6.719 -5.505 1.00 0.37 C ATOM 1374 CD1 PHE A 106 -11.079 5.360 -5.182 1.00 1.98 C ATOM 1375 CD2 PHE A 106 -10.981 7.682 -4.486 1.00 1.22 C ATOM 1376 CE1 PHE A 106 -11.195 4.965 -3.844 1.00 2.11 C ATOM 1377 CE2 PHE A 106 -11.098 7.286 -3.149 1.00 1.08 C ATOM 1378 CZ PHE A 106 -11.205 5.928 -2.827 1.00 0.63 C ATOM 0 H PHE A 106 -10.779 5.169 -8.568 1.00 0.35 H new ATOM 0 HA PHE A 106 -12.912 6.580 -7.076 1.00 0.32 H new ATOM 0 HB2 PHE A 106 -9.927 6.735 -7.382 1.00 0.33 H new ATOM 0 HB3 PHE A 106 -10.759 8.233 -7.013 1.00 0.33 H new ATOM 0 HD1 PHE A 106 -11.073 4.617 -5.966 1.00 1.98 H new ATOM 0 HD2 PHE A 106 -10.898 8.730 -4.733 1.00 1.22 H new ATOM 0 HE1 PHE A 106 -11.277 3.917 -3.596 1.00 2.11 H new ATOM 0 HE2 PHE A 106 -11.106 8.029 -2.365 1.00 1.08 H new ATOM 0 HZ PHE A 106 -11.295 5.623 -1.795 1.00 0.63 H new ATOM 1388 N GLU A 107 -13.435 7.450 -9.589 1.00 0.67 N ATOM 1389 CA GLU A 107 -13.798 8.385 -10.693 1.00 0.74 C ATOM 1390 C GLU A 107 -14.295 9.715 -10.115 1.00 0.56 C ATOM 1391 O GLU A 107 -14.382 10.706 -10.810 1.00 0.50 O ATOM 1392 CB GLU A 107 -14.904 7.764 -11.547 1.00 0.97 C ATOM 1393 CG GLU A 107 -16.013 7.226 -10.639 1.00 0.83 C ATOM 1394 CD GLU A 107 -17.369 7.721 -11.143 1.00 0.32 C ATOM 1395 OE1 GLU A 107 -17.791 7.267 -12.193 1.00 0.32 O ATOM 1396 OE2 GLU A 107 -17.963 8.547 -10.469 1.00 1.26 O ATOM 0 H GLU A 107 -14.066 6.658 -9.467 1.00 0.67 H new ATOM 0 HA GLU A 107 -12.915 8.567 -11.306 1.00 0.74 H new ATOM 0 HB2 GLU A 107 -15.310 8.509 -12.232 1.00 0.97 H new ATOM 0 HB3 GLU A 107 -14.497 6.958 -12.157 1.00 0.97 H new ATOM 0 HG2 GLU A 107 -15.993 6.136 -10.629 1.00 0.83 H new ATOM 0 HG3 GLU A 107 -15.851 7.558 -9.613 1.00 0.83 H new ATOM 1403 N SER A 108 -14.614 9.747 -8.850 1.00 0.51 N ATOM 1404 CA SER A 108 -15.095 11.018 -8.239 1.00 0.40 C ATOM 1405 C SER A 108 -13.886 11.801 -7.734 1.00 0.25 C ATOM 1406 O SER A 108 -13.764 12.991 -7.942 1.00 0.15 O ATOM 1407 CB SER A 108 -16.029 10.704 -7.069 1.00 0.54 C ATOM 1408 OG SER A 108 -17.378 10.839 -7.496 1.00 0.73 O ATOM 0 H SER A 108 -14.563 8.950 -8.215 1.00 0.51 H new ATOM 0 HA SER A 108 -15.639 11.606 -8.978 1.00 0.40 H new ATOM 0 HB2 SER A 108 -15.850 9.692 -6.707 1.00 0.54 H new ATOM 0 HB3 SER A 108 -15.829 11.380 -6.238 1.00 0.54 H new ATOM 0 HG SER A 108 -17.979 10.637 -6.749 1.00 0.73 H new ATOM 1414 N SER A 109 -12.980 11.123 -7.090 1.00 0.25 N ATOM 1415 CA SER A 109 -11.756 11.794 -6.581 1.00 0.15 C ATOM 1416 C SER A 109 -10.553 11.203 -7.310 1.00 0.29 C ATOM 1417 O SER A 109 -9.506 10.980 -6.733 1.00 0.35 O ATOM 1418 CB SER A 109 -11.621 11.543 -5.080 1.00 0.12 C ATOM 1419 OG SER A 109 -11.030 12.679 -4.465 1.00 0.23 O ATOM 0 H SER A 109 -13.036 10.124 -6.893 1.00 0.25 H new ATOM 0 HA SER A 109 -11.813 12.869 -6.755 1.00 0.15 H new ATOM 0 HB2 SER A 109 -12.600 11.347 -4.643 1.00 0.12 H new ATOM 0 HB3 SER A 109 -11.009 10.659 -4.901 1.00 0.12 H new ATOM 0 HG SER A 109 -10.944 12.522 -3.502 1.00 0.23 H new ATOM 1425 N GLU A 110 -10.711 10.927 -8.579 1.00 0.37 N ATOM 1426 CA GLU A 110 -9.609 10.323 -9.379 1.00 0.52 C ATOM 1427 C GLU A 110 -8.280 11.029 -9.093 1.00 0.56 C ATOM 1428 O GLU A 110 -7.258 10.397 -8.926 1.00 0.61 O ATOM 1429 CB GLU A 110 -9.939 10.457 -10.865 1.00 0.64 C ATOM 1430 CG GLU A 110 -9.132 9.428 -11.654 1.00 0.65 C ATOM 1431 CD GLU A 110 -9.982 8.878 -12.800 1.00 0.42 C ATOM 1432 OE1 GLU A 110 -10.174 9.597 -13.767 1.00 0.72 O ATOM 1433 OE2 GLU A 110 -10.426 7.748 -12.691 1.00 1.28 O ATOM 0 H GLU A 110 -11.571 11.098 -9.100 1.00 0.37 H new ATOM 0 HA GLU A 110 -9.512 9.272 -9.105 1.00 0.52 H new ATOM 0 HB2 GLU A 110 -11.006 10.303 -11.028 1.00 0.64 H new ATOM 0 HB3 GLU A 110 -9.706 11.464 -11.212 1.00 0.64 H new ATOM 0 HG2 GLU A 110 -8.225 9.887 -12.048 1.00 0.65 H new ATOM 0 HG3 GLU A 110 -8.819 8.616 -10.998 1.00 0.65 H new ATOM 1440 N GLU A 111 -8.285 12.332 -9.040 1.00 0.59 N ATOM 1441 CA GLU A 111 -7.019 13.075 -8.772 1.00 0.71 C ATOM 1442 C GLU A 111 -6.322 12.493 -7.537 1.00 0.61 C ATOM 1443 O GLU A 111 -5.147 12.185 -7.563 1.00 0.57 O ATOM 1444 CB GLU A 111 -7.340 14.551 -8.526 1.00 0.88 C ATOM 1445 CG GLU A 111 -6.067 15.385 -8.683 1.00 1.82 C ATOM 1446 CD GLU A 111 -5.563 15.810 -7.302 1.00 3.39 C ATOM 1447 OE1 GLU A 111 -6.390 16.061 -6.442 1.00 3.70 O ATOM 1448 OE2 GLU A 111 -4.357 15.877 -7.129 1.00 4.45 O ATOM 0 H GLU A 111 -9.111 12.916 -9.171 1.00 0.59 H new ATOM 0 HA GLU A 111 -6.358 12.980 -9.634 1.00 0.71 H new ATOM 0 HB2 GLU A 111 -8.099 14.891 -9.231 1.00 0.88 H new ATOM 0 HB3 GLU A 111 -7.752 14.682 -7.525 1.00 0.88 H new ATOM 0 HG2 GLU A 111 -5.301 14.806 -9.199 1.00 1.82 H new ATOM 0 HG3 GLU A 111 -6.268 16.264 -9.295 1.00 1.82 H new ATOM 1455 N GLN A 112 -7.037 12.337 -6.457 1.00 0.58 N ATOM 1456 CA GLN A 112 -6.414 11.774 -5.225 1.00 0.54 C ATOM 1457 C GLN A 112 -5.947 10.341 -5.495 1.00 0.38 C ATOM 1458 O GLN A 112 -4.955 9.892 -4.958 1.00 0.46 O ATOM 1459 CB GLN A 112 -7.439 11.780 -4.090 1.00 0.57 C ATOM 1460 CG GLN A 112 -7.910 13.213 -3.838 1.00 0.64 C ATOM 1461 CD GLN A 112 -6.875 13.950 -2.984 1.00 0.79 C ATOM 1462 OE1 GLN A 112 -5.811 13.429 -2.711 1.00 1.64 O ATOM 1463 NE2 GLN A 112 -7.146 15.149 -2.543 1.00 0.71 N ATOM 0 H GLN A 112 -8.025 12.575 -6.374 1.00 0.58 H new ATOM 0 HA GLN A 112 -5.555 12.382 -4.939 1.00 0.54 H new ATOM 0 HB2 GLN A 112 -8.288 11.147 -4.348 1.00 0.57 H new ATOM 0 HB3 GLN A 112 -6.997 11.366 -3.184 1.00 0.57 H new ATOM 0 HG2 GLN A 112 -8.051 13.732 -4.786 1.00 0.64 H new ATOM 0 HG3 GLN A 112 -8.875 13.206 -3.332 1.00 0.64 H new ATOM 0 HE21 GLN A 112 -8.038 15.587 -2.772 1.00 0.71 H new ATOM 0 HE22 GLN A 112 -6.465 15.648 -1.970 1.00 0.71 H new ATOM 1472 N ALA A 113 -6.650 9.620 -6.326 1.00 0.26 N ATOM 1473 CA ALA A 113 -6.236 8.220 -6.629 1.00 0.26 C ATOM 1474 C ALA A 113 -4.840 8.236 -7.255 1.00 0.37 C ATOM 1475 O ALA A 113 -4.018 7.380 -6.995 1.00 0.31 O ATOM 1476 CB ALA A 113 -7.227 7.593 -7.611 1.00 0.54 C ATOM 0 H ALA A 113 -7.491 9.939 -6.807 1.00 0.26 H new ATOM 0 HA ALA A 113 -6.222 7.635 -5.709 1.00 0.26 H new ATOM 0 HB1 ALA A 113 -6.923 6.570 -7.831 1.00 0.54 H new ATOM 0 HB2 ALA A 113 -8.223 7.588 -7.169 1.00 0.54 H new ATOM 0 HB3 ALA A 113 -7.242 8.174 -8.533 1.00 0.54 H new ATOM 1482 N ARG A 114 -4.568 9.213 -8.077 1.00 0.62 N ATOM 1483 CA ARG A 114 -3.228 9.301 -8.723 1.00 0.85 C ATOM 1484 C ARG A 114 -2.202 9.813 -7.708 1.00 0.88 C ATOM 1485 O ARG A 114 -1.013 9.649 -7.876 1.00 1.01 O ATOM 1486 CB ARG A 114 -3.298 10.278 -9.898 1.00 1.09 C ATOM 1487 CG ARG A 114 -3.284 9.506 -11.217 1.00 0.47 C ATOM 1488 CD ARG A 114 -3.828 10.403 -12.328 1.00 0.84 C ATOM 1489 NE ARG A 114 -2.723 11.241 -12.874 1.00 2.16 N ATOM 1490 CZ ARG A 114 -2.205 10.964 -14.038 1.00 2.10 C ATOM 1491 NH1 ARG A 114 -1.932 9.728 -14.356 1.00 2.27 N ATOM 1492 NH2 ARG A 114 -1.958 11.924 -14.888 1.00 2.99 N ATOM 0 H ARG A 114 -5.219 9.957 -8.330 1.00 0.62 H new ATOM 0 HA ARG A 114 -2.931 8.314 -9.077 1.00 0.85 H new ATOM 0 HB2 ARG A 114 -4.204 10.880 -9.828 1.00 1.09 H new ATOM 0 HB3 ARG A 114 -2.454 10.967 -9.861 1.00 1.09 H new ATOM 0 HG2 ARG A 114 -2.269 9.187 -11.455 1.00 0.47 H new ATOM 0 HG3 ARG A 114 -3.890 8.604 -11.131 1.00 0.47 H new ATOM 0 HD2 ARG A 114 -4.264 9.795 -13.121 1.00 0.84 H new ATOM 0 HD3 ARG A 114 -4.624 11.039 -11.940 1.00 0.84 H new ATOM 0 HE ARG A 114 -2.371 12.033 -12.336 1.00 2.16 H new ATOM 0 HH11 ARG A 114 -2.124 8.977 -13.693 1.00 2.27 H new ATOM 0 HH12 ARG A 114 -1.527 9.513 -15.267 1.00 2.27 H new ATOM 0 HH21 ARG A 114 -2.170 12.891 -14.641 1.00 2.99 H new ATOM 0 HH22 ARG A 114 -1.553 11.707 -15.799 1.00 2.99 H new ATOM 1506 N ALA A 115 -2.655 10.447 -6.662 1.00 0.86 N ATOM 1507 CA ALA A 115 -1.707 10.980 -5.645 1.00 1.05 C ATOM 1508 C ALA A 115 -1.137 9.835 -4.803 1.00 0.94 C ATOM 1509 O ALA A 115 -0.031 9.913 -4.306 1.00 1.13 O ATOM 1510 CB ALA A 115 -2.449 11.961 -4.733 1.00 1.16 C ATOM 0 H ALA A 115 -3.641 10.619 -6.468 1.00 0.86 H new ATOM 0 HA ALA A 115 -0.887 11.489 -6.151 1.00 1.05 H new ATOM 0 HB1 ALA A 115 -1.760 12.355 -3.986 1.00 1.16 H new ATOM 0 HB2 ALA A 115 -2.847 12.782 -5.329 1.00 1.16 H new ATOM 0 HB3 ALA A 115 -3.269 11.445 -4.234 1.00 1.16 H new ATOM 1516 N VAL A 116 -1.880 8.775 -4.624 1.00 0.71 N ATOM 1517 CA VAL A 116 -1.363 7.648 -3.798 1.00 0.67 C ATOM 1518 C VAL A 116 -0.625 6.624 -4.679 1.00 0.57 C ATOM 1519 O VAL A 116 0.377 6.075 -4.285 1.00 0.58 O ATOM 1520 CB VAL A 116 -2.530 6.972 -3.064 1.00 0.66 C ATOM 1521 CG1 VAL A 116 -3.399 6.192 -4.053 1.00 0.41 C ATOM 1522 CG2 VAL A 116 -1.976 6.011 -2.009 1.00 1.19 C ATOM 0 H VAL A 116 -2.814 8.642 -5.011 1.00 0.71 H new ATOM 0 HA VAL A 116 -0.656 8.041 -3.067 1.00 0.67 H new ATOM 0 HB VAL A 116 -3.139 7.739 -2.585 1.00 0.66 H new ATOM 0 HG11 VAL A 116 -4.222 5.718 -3.519 1.00 0.41 H new ATOM 0 HG12 VAL A 116 -3.798 6.874 -4.803 1.00 0.41 H new ATOM 0 HG13 VAL A 116 -2.796 5.427 -4.543 1.00 0.41 H new ATOM 0 HG21 VAL A 116 -2.802 5.529 -1.486 1.00 1.19 H new ATOM 0 HG22 VAL A 116 -1.362 5.252 -2.494 1.00 1.19 H new ATOM 0 HG23 VAL A 116 -1.369 6.566 -1.294 1.00 1.19 H new ATOM 1532 N GLN A 117 -1.129 6.350 -5.855 1.00 0.48 N ATOM 1533 CA GLN A 117 -0.475 5.349 -6.748 1.00 0.41 C ATOM 1534 C GLN A 117 0.768 5.949 -7.420 1.00 0.32 C ATOM 1535 O GLN A 117 1.792 5.308 -7.514 1.00 0.23 O ATOM 1536 CB GLN A 117 -1.473 4.908 -7.824 1.00 0.42 C ATOM 1537 CG GLN A 117 -0.791 3.946 -8.798 1.00 0.56 C ATOM 1538 CD GLN A 117 -1.847 3.235 -9.646 1.00 1.16 C ATOM 1539 OE1 GLN A 117 -2.631 2.458 -9.138 1.00 2.59 O ATOM 1540 NE2 GLN A 117 -1.903 3.468 -10.928 1.00 0.89 N ATOM 0 H GLN A 117 -1.971 6.780 -6.237 1.00 0.48 H new ATOM 0 HA GLN A 117 -0.165 4.493 -6.149 1.00 0.41 H new ATOM 0 HB2 GLN A 117 -2.332 4.423 -7.360 1.00 0.42 H new ATOM 0 HB3 GLN A 117 -1.851 5.778 -8.362 1.00 0.42 H new ATOM 0 HG2 GLN A 117 -0.102 4.493 -9.442 1.00 0.56 H new ATOM 0 HG3 GLN A 117 -0.200 3.214 -8.247 1.00 0.56 H new ATOM 0 HE21 GLN A 117 -1.246 4.120 -11.357 1.00 0.89 H new ATOM 0 HE22 GLN A 117 -2.604 2.998 -11.502 1.00 0.89 H new ATOM 1549 N MET A 118 0.686 7.158 -7.905 1.00 0.43 N ATOM 1550 CA MET A 118 1.871 7.772 -8.581 1.00 0.41 C ATOM 1551 C MET A 118 3.055 7.806 -7.611 1.00 0.38 C ATOM 1552 O MET A 118 4.127 7.318 -7.912 1.00 0.34 O ATOM 1553 CB MET A 118 1.531 9.198 -9.021 1.00 0.53 C ATOM 1554 CG MET A 118 0.418 9.158 -10.069 1.00 0.63 C ATOM 1555 SD MET A 118 1.142 8.984 -11.719 1.00 0.42 S ATOM 1556 CE MET A 118 1.154 10.742 -12.148 1.00 0.85 C ATOM 0 H MET A 118 -0.145 7.747 -7.864 1.00 0.43 H new ATOM 0 HA MET A 118 2.135 7.177 -9.455 1.00 0.41 H new ATOM 0 HB2 MET A 118 1.215 9.789 -8.162 1.00 0.53 H new ATOM 0 HB3 MET A 118 2.416 9.683 -9.433 1.00 0.53 H new ATOM 0 HG2 MET A 118 -0.256 8.325 -9.867 1.00 0.63 H new ATOM 0 HG3 MET A 118 -0.177 10.069 -10.017 1.00 0.63 H new ATOM 0 HE1 MET A 118 1.570 10.870 -13.147 1.00 0.85 H new ATOM 0 HE2 MET A 118 0.135 11.129 -12.127 1.00 0.85 H new ATOM 0 HE3 MET A 118 1.764 11.288 -11.429 1.00 0.85 H new ATOM 1566 N SER A 119 2.874 8.370 -6.447 1.00 0.43 N ATOM 1567 CA SER A 119 3.994 8.418 -5.465 1.00 0.42 C ATOM 1568 C SER A 119 4.329 6.989 -5.039 1.00 0.36 C ATOM 1569 O SER A 119 5.478 6.596 -4.976 1.00 0.34 O ATOM 1570 CB SER A 119 3.573 9.232 -4.242 1.00 0.52 C ATOM 1571 OG SER A 119 4.613 10.139 -3.903 1.00 1.18 O ATOM 0 H SER A 119 2.002 8.798 -6.135 1.00 0.43 H new ATOM 0 HA SER A 119 4.867 8.888 -5.919 1.00 0.42 H new ATOM 0 HB2 SER A 119 2.653 9.777 -4.453 1.00 0.52 H new ATOM 0 HB3 SER A 119 3.365 8.568 -3.403 1.00 0.52 H new ATOM 0 HG SER A 119 5.354 10.038 -4.536 1.00 1.18 H new ATOM 1577 N THR A 120 3.325 6.202 -4.771 1.00 0.37 N ATOM 1578 CA THR A 120 3.561 4.787 -4.373 1.00 0.37 C ATOM 1579 C THR A 120 4.269 4.055 -5.526 1.00 0.37 C ATOM 1580 O THR A 120 4.841 2.998 -5.346 1.00 0.47 O ATOM 1581 CB THR A 120 2.205 4.130 -4.068 1.00 0.48 C ATOM 1582 OG1 THR A 120 1.693 4.655 -2.851 1.00 2.07 O ATOM 1583 CG2 THR A 120 2.356 2.617 -3.937 1.00 1.29 C ATOM 0 H THR A 120 2.345 6.481 -4.811 1.00 0.37 H new ATOM 0 HA THR A 120 4.191 4.736 -3.485 1.00 0.37 H new ATOM 0 HB THR A 120 1.520 4.345 -4.889 1.00 0.48 H new ATOM 0 HG1 THR A 120 1.216 5.492 -3.031 1.00 2.07 H new ATOM 0 HG21 THR A 120 1.385 2.172 -3.721 1.00 1.29 H new ATOM 0 HG22 THR A 120 2.743 2.208 -4.870 1.00 1.29 H new ATOM 0 HG23 THR A 120 3.048 2.389 -3.126 1.00 1.29 H new ATOM 1591 N LYS A 121 4.248 4.622 -6.702 1.00 0.36 N ATOM 1592 CA LYS A 121 4.926 3.990 -7.864 1.00 0.35 C ATOM 1593 C LYS A 121 6.374 4.468 -7.870 1.00 0.31 C ATOM 1594 O LYS A 121 7.275 3.757 -8.261 1.00 0.38 O ATOM 1595 CB LYS A 121 4.214 4.437 -9.146 1.00 0.43 C ATOM 1596 CG LYS A 121 4.985 3.961 -10.376 1.00 1.18 C ATOM 1597 CD LYS A 121 5.137 2.439 -10.330 1.00 1.24 C ATOM 1598 CE LYS A 121 5.197 1.885 -11.754 1.00 1.30 C ATOM 1599 NZ LYS A 121 6.613 1.598 -12.116 1.00 2.85 N ATOM 0 H LYS A 121 3.784 5.507 -6.907 1.00 0.36 H new ATOM 0 HA LYS A 121 4.895 2.902 -7.802 1.00 0.35 H new ATOM 0 HB2 LYS A 121 3.201 4.035 -9.166 1.00 0.43 H new ATOM 0 HB3 LYS A 121 4.127 5.523 -9.161 1.00 0.43 H new ATOM 0 HG2 LYS A 121 4.459 4.257 -11.284 1.00 1.18 H new ATOM 0 HG3 LYS A 121 5.967 4.434 -10.408 1.00 1.18 H new ATOM 0 HD2 LYS A 121 6.043 2.170 -9.786 1.00 1.24 H new ATOM 0 HD3 LYS A 121 4.299 1.996 -9.792 1.00 1.24 H new ATOM 0 HE2 LYS A 121 4.600 0.976 -11.827 1.00 1.30 H new ATOM 0 HE3 LYS A 121 4.770 2.604 -12.454 1.00 1.30 H new ATOM 0 HZ1 LYS A 121 6.639 0.942 -12.922 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 7.091 2.484 -12.375 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 7.099 1.168 -11.303 1.00 2.85 H new ATOM 1613 N VAL A 122 6.599 5.668 -7.410 1.00 0.31 N ATOM 1614 CA VAL A 122 7.984 6.202 -7.354 1.00 0.40 C ATOM 1615 C VAL A 122 8.782 5.380 -6.343 1.00 0.49 C ATOM 1616 O VAL A 122 9.978 5.221 -6.460 1.00 0.66 O ATOM 1617 CB VAL A 122 7.939 7.665 -6.917 1.00 0.55 C ATOM 1618 CG1 VAL A 122 9.361 8.196 -6.732 1.00 0.72 C ATOM 1619 CG2 VAL A 122 7.229 8.485 -7.991 1.00 0.58 C ATOM 0 H VAL A 122 5.877 6.303 -7.069 1.00 0.31 H new ATOM 0 HA VAL A 122 8.457 6.137 -8.334 1.00 0.40 H new ATOM 0 HB VAL A 122 7.401 7.745 -5.972 1.00 0.55 H new ATOM 0 HG11 VAL A 122 9.322 9.240 -6.420 1.00 0.72 H new ATOM 0 HG12 VAL A 122 9.872 7.609 -5.969 1.00 0.72 H new ATOM 0 HG13 VAL A 122 9.904 8.119 -7.674 1.00 0.72 H new ATOM 0 HG21 VAL A 122 7.193 9.531 -7.686 1.00 0.58 H new ATOM 0 HG22 VAL A 122 7.772 8.400 -8.932 1.00 0.58 H new ATOM 0 HG23 VAL A 122 6.214 8.110 -8.123 1.00 0.58 H new ATOM 1629 N LEU A 123 8.117 4.844 -5.357 1.00 0.43 N ATOM 1630 CA LEU A 123 8.821 4.007 -4.344 1.00 0.59 C ATOM 1631 C LEU A 123 9.251 2.703 -5.015 1.00 0.49 C ATOM 1632 O LEU A 123 10.233 2.086 -4.652 1.00 0.61 O ATOM 1633 CB LEU A 123 7.850 3.679 -3.202 1.00 0.76 C ATOM 1634 CG LEU A 123 7.865 4.779 -2.134 1.00 0.93 C ATOM 1635 CD1 LEU A 123 9.178 4.722 -1.355 1.00 1.55 C ATOM 1636 CD2 LEU A 123 7.717 6.157 -2.786 1.00 0.43 C ATOM 0 H LEU A 123 7.113 4.950 -5.209 1.00 0.43 H new ATOM 0 HA LEU A 123 9.687 4.539 -3.950 1.00 0.59 H new ATOM 0 HB2 LEU A 123 6.841 3.567 -3.599 1.00 0.76 H new ATOM 0 HB3 LEU A 123 8.123 2.725 -2.750 1.00 0.76 H new ATOM 0 HG LEU A 123 7.029 4.618 -1.454 1.00 0.93 H new ATOM 0 HD11 LEU A 123 9.186 5.505 -0.597 1.00 1.55 H new ATOM 0 HD12 LEU A 123 9.273 3.749 -0.873 1.00 1.55 H new ATOM 0 HD13 LEU A 123 10.014 4.871 -2.039 1.00 1.55 H new ATOM 0 HD21 LEU A 123 7.729 6.927 -2.015 1.00 0.43 H new ATOM 0 HD22 LEU A 123 8.543 6.323 -3.478 1.00 0.43 H new ATOM 0 HD23 LEU A 123 6.773 6.203 -3.330 1.00 0.43 H new ATOM 1648 N ILE A 124 8.496 2.283 -5.990 1.00 0.35 N ATOM 1649 CA ILE A 124 8.797 1.019 -6.715 1.00 0.45 C ATOM 1650 C ILE A 124 10.003 1.209 -7.637 1.00 0.40 C ATOM 1651 O ILE A 124 10.969 0.474 -7.573 1.00 0.32 O ATOM 1652 CB ILE A 124 7.565 0.648 -7.544 1.00 0.48 C ATOM 1653 CG1 ILE A 124 6.345 0.570 -6.624 1.00 0.61 C ATOM 1654 CG2 ILE A 124 7.775 -0.703 -8.216 1.00 0.54 C ATOM 1655 CD1 ILE A 124 5.084 0.346 -7.460 1.00 0.76 C ATOM 0 H ILE A 124 7.665 2.774 -6.321 1.00 0.35 H new ATOM 0 HA ILE A 124 9.034 0.228 -6.004 1.00 0.45 H new ATOM 0 HB ILE A 124 7.406 1.407 -8.310 1.00 0.48 H new ATOM 0 HG12 ILE A 124 6.468 -0.243 -5.909 1.00 0.61 H new ATOM 0 HG13 ILE A 124 6.252 1.490 -6.048 1.00 0.61 H new ATOM 0 HG21 ILE A 124 6.893 -0.958 -8.803 1.00 0.54 H new ATOM 0 HG22 ILE A 124 8.645 -0.652 -8.871 1.00 0.54 H new ATOM 0 HG23 ILE A 124 7.938 -1.466 -7.455 1.00 0.54 H new ATOM 0 HD11 ILE A 124 4.217 0.291 -6.802 1.00 0.76 H new ATOM 0 HD12 ILE A 124 4.958 1.174 -8.158 1.00 0.76 H new ATOM 0 HD13 ILE A 124 5.177 -0.587 -8.017 1.00 0.76 H new ATOM 1667 N GLN A 125 9.952 2.183 -8.497 1.00 0.46 N ATOM 1668 CA GLN A 125 11.074 2.425 -9.433 1.00 0.44 C ATOM 1669 C GLN A 125 12.343 2.775 -8.656 1.00 0.50 C ATOM 1670 O GLN A 125 13.436 2.425 -9.046 1.00 0.63 O ATOM 1671 CB GLN A 125 10.690 3.586 -10.336 1.00 0.27 C ATOM 1672 CG GLN A 125 9.987 3.043 -11.581 1.00 0.64 C ATOM 1673 CD GLN A 125 10.465 3.806 -12.816 1.00 0.58 C ATOM 1674 OE1 GLN A 125 10.190 4.980 -12.964 1.00 1.07 O ATOM 1675 NE2 GLN A 125 11.173 3.184 -13.718 1.00 0.43 N ATOM 0 H GLN A 125 9.169 2.829 -8.591 1.00 0.46 H new ATOM 0 HA GLN A 125 11.268 1.529 -10.023 1.00 0.44 H new ATOM 0 HB2 GLN A 125 10.033 4.274 -9.804 1.00 0.27 H new ATOM 0 HB3 GLN A 125 11.578 4.149 -10.622 1.00 0.27 H new ATOM 0 HG2 GLN A 125 10.197 1.980 -11.695 1.00 0.64 H new ATOM 0 HG3 GLN A 125 8.907 3.145 -11.474 1.00 0.64 H new ATOM 0 HE21 GLN A 125 11.404 2.198 -13.594 1.00 0.43 H new ATOM 0 HE22 GLN A 125 11.495 3.683 -14.547 1.00 0.43 H new ATOM 1684 N PHE A 126 12.205 3.474 -7.568 1.00 0.60 N ATOM 1685 CA PHE A 126 13.404 3.858 -6.767 1.00 0.85 C ATOM 1686 C PHE A 126 13.967 2.631 -6.035 1.00 1.04 C ATOM 1687 O PHE A 126 15.025 2.134 -6.355 1.00 1.72 O ATOM 1688 CB PHE A 126 13.004 4.918 -5.736 1.00 0.93 C ATOM 1689 CG PHE A 126 13.091 6.292 -6.356 1.00 0.93 C ATOM 1690 CD1 PHE A 126 12.559 6.520 -7.631 1.00 0.77 C ATOM 1691 CD2 PHE A 126 13.702 7.340 -5.656 1.00 1.13 C ATOM 1692 CE1 PHE A 126 12.640 7.794 -8.207 1.00 0.84 C ATOM 1693 CE2 PHE A 126 13.783 8.614 -6.231 1.00 1.19 C ATOM 1694 CZ PHE A 126 13.251 8.841 -7.506 1.00 1.06 C ATOM 0 H PHE A 126 11.313 3.798 -7.195 1.00 0.60 H new ATOM 0 HA PHE A 126 14.167 4.256 -7.437 1.00 0.85 H new ATOM 0 HB2 PHE A 126 11.990 4.731 -5.384 1.00 0.93 H new ATOM 0 HB3 PHE A 126 13.659 4.859 -4.867 1.00 0.93 H new ATOM 0 HD1 PHE A 126 12.086 5.713 -8.171 1.00 0.77 H new ATOM 0 HD2 PHE A 126 14.111 7.165 -4.672 1.00 1.13 H new ATOM 0 HE1 PHE A 126 12.231 7.969 -9.191 1.00 0.84 H new ATOM 0 HE2 PHE A 126 14.256 9.421 -5.691 1.00 1.19 H new ATOM 0 HZ PHE A 126 13.312 9.824 -7.949 1.00 1.06 H new ATOM 1704 N LEU A 127 13.270 2.155 -5.041 1.00 0.64 N ATOM 1705 CA LEU A 127 13.755 0.980 -4.254 1.00 0.75 C ATOM 1706 C LEU A 127 14.123 -0.208 -5.157 1.00 0.99 C ATOM 1707 O LEU A 127 14.811 -1.117 -4.737 1.00 1.59 O ATOM 1708 CB LEU A 127 12.648 0.553 -3.290 1.00 0.60 C ATOM 1709 CG LEU A 127 13.191 0.505 -1.860 1.00 1.19 C ATOM 1710 CD1 LEU A 127 13.791 1.861 -1.483 1.00 1.91 C ATOM 1711 CD2 LEU A 127 12.045 0.177 -0.902 1.00 2.19 C ATOM 0 H LEU A 127 12.374 2.533 -4.735 1.00 0.64 H new ATOM 0 HA LEU A 127 14.655 1.276 -3.716 1.00 0.75 H new ATOM 0 HB2 LEU A 127 11.814 1.252 -3.348 1.00 0.60 H new ATOM 0 HB3 LEU A 127 12.263 -0.426 -3.575 1.00 0.60 H new ATOM 0 HG LEU A 127 13.965 -0.259 -1.793 1.00 1.19 H new ATOM 0 HD11 LEU A 127 14.175 1.818 -0.464 1.00 1.91 H new ATOM 0 HD12 LEU A 127 14.604 2.102 -2.168 1.00 1.91 H new ATOM 0 HD13 LEU A 127 13.022 2.630 -1.549 1.00 1.91 H new ATOM 0 HD21 LEU A 127 12.424 0.141 0.119 1.00 2.19 H new ATOM 0 HD22 LEU A 127 11.276 0.946 -0.977 1.00 2.19 H new ATOM 0 HD23 LEU A 127 11.617 -0.790 -1.165 1.00 2.19 H new ATOM 1723 N GLN A 128 13.671 -0.229 -6.379 1.00 0.58 N ATOM 1724 CA GLN A 128 14.003 -1.378 -7.273 1.00 0.88 C ATOM 1725 C GLN A 128 15.295 -1.084 -8.038 1.00 1.10 C ATOM 1726 O GLN A 128 16.190 -1.904 -8.105 1.00 1.20 O ATOM 1727 CB GLN A 128 12.861 -1.596 -8.270 1.00 1.04 C ATOM 1728 CG GLN A 128 12.956 -3.006 -8.855 1.00 1.15 C ATOM 1729 CD GLN A 128 12.820 -2.939 -10.378 1.00 1.16 C ATOM 1730 OE1 GLN A 128 13.249 -1.985 -10.996 1.00 1.52 O ATOM 1731 NE2 GLN A 128 12.236 -3.918 -11.013 1.00 1.56 N ATOM 0 H GLN A 128 13.088 0.495 -6.798 1.00 0.58 H new ATOM 0 HA GLN A 128 14.138 -2.275 -6.668 1.00 0.88 H new ATOM 0 HB2 GLN A 128 11.900 -1.461 -7.774 1.00 1.04 H new ATOM 0 HB3 GLN A 128 12.914 -0.855 -9.068 1.00 1.04 H new ATOM 0 HG2 GLN A 128 13.909 -3.460 -8.584 1.00 1.15 H new ATOM 0 HG3 GLN A 128 12.172 -3.638 -8.437 1.00 1.15 H new ATOM 0 HE21 GLN A 128 11.876 -4.719 -10.495 1.00 1.56 H new ATOM 0 HE22 GLN A 128 12.140 -3.882 -12.028 1.00 1.56 H new ATOM 1740 N LYS A 129 15.396 0.079 -8.618 1.00 1.21 N ATOM 1741 CA LYS A 129 16.626 0.430 -9.384 1.00 1.50 C ATOM 1742 C LYS A 129 17.736 0.833 -8.414 1.00 1.50 C ATOM 1743 O LYS A 129 18.781 0.215 -8.361 1.00 1.77 O ATOM 1744 CB LYS A 129 16.324 1.602 -10.321 1.00 1.60 C ATOM 1745 CG LYS A 129 16.334 1.115 -11.769 1.00 2.08 C ATOM 1746 CD LYS A 129 15.192 1.782 -12.539 1.00 2.48 C ATOM 1747 CE LYS A 129 14.976 1.055 -13.867 1.00 3.66 C ATOM 1748 NZ LYS A 129 14.084 1.866 -14.747 1.00 3.93 N ATOM 0 H LYS A 129 14.679 0.804 -8.595 1.00 1.21 H new ATOM 0 HA LYS A 129 16.948 -0.433 -9.967 1.00 1.50 H new ATOM 0 HB2 LYS A 129 15.353 2.034 -10.079 1.00 1.60 H new ATOM 0 HB3 LYS A 129 17.066 2.389 -10.186 1.00 1.60 H new ATOM 0 HG2 LYS A 129 17.290 1.352 -12.237 1.00 2.08 H new ATOM 0 HG3 LYS A 129 16.224 0.031 -11.800 1.00 2.08 H new ATOM 0 HD2 LYS A 129 14.277 1.758 -11.946 1.00 2.48 H new ATOM 0 HD3 LYS A 129 15.426 2.831 -12.721 1.00 2.48 H new ATOM 0 HE2 LYS A 129 15.933 0.887 -14.360 1.00 3.66 H new ATOM 0 HE3 LYS A 129 14.533 0.075 -13.688 1.00 3.66 H new ATOM 0 HZ1 LYS A 129 14.277 1.637 -15.743 1.00 3.93 H new ATOM 0 HZ2 LYS A 129 13.091 1.650 -14.528 1.00 3.93 H new ATOM 0 HZ3 LYS A 129 14.262 2.878 -14.584 1.00 3.93 H new ATOM 1762 N LYS A 130 17.523 1.870 -7.652 1.00 1.34 N ATOM 1763 CA LYS A 130 18.571 2.317 -6.693 1.00 1.47 C ATOM 1764 C LYS A 130 18.440 1.563 -5.369 1.00 1.10 C ATOM 1765 O LYS A 130 18.519 2.149 -4.307 1.00 1.20 O ATOM 1766 CB LYS A 130 18.435 3.823 -6.443 1.00 1.79 C ATOM 1767 CG LYS A 130 17.099 4.121 -5.760 1.00 2.04 C ATOM 1768 CD LYS A 130 17.332 5.042 -4.562 1.00 2.04 C ATOM 1769 CE LYS A 130 16.501 4.552 -3.374 1.00 2.15 C ATOM 1770 NZ LYS A 130 16.959 5.232 -2.130 1.00 2.28 N ATOM 0 H LYS A 130 16.668 2.427 -7.652 1.00 1.34 H new ATOM 0 HA LYS A 130 19.550 2.106 -7.122 1.00 1.47 H new ATOM 0 HB2 LYS A 130 19.258 4.172 -5.819 1.00 1.79 H new ATOM 0 HB3 LYS A 130 18.499 4.364 -7.387 1.00 1.79 H new ATOM 0 HG2 LYS A 130 16.415 4.591 -6.466 1.00 2.04 H new ATOM 0 HG3 LYS A 130 16.631 3.193 -5.433 1.00 2.04 H new ATOM 0 HD2 LYS A 130 18.390 5.054 -4.299 1.00 2.04 H new ATOM 0 HD3 LYS A 130 17.055 6.065 -4.817 1.00 2.04 H new ATOM 0 HE2 LYS A 130 15.445 4.759 -3.546 1.00 2.15 H new ATOM 0 HE3 LYS A 130 16.601 3.472 -3.268 1.00 2.15 H new ATOM 0 HZ1 LYS A 130 17.353 4.527 -1.474 1.00 2.28 H new ATOM 0 HZ2 LYS A 130 17.691 5.932 -2.366 1.00 2.28 H new ATOM 0 HZ3 LYS A 130 16.154 5.712 -1.680 1.00 2.28 H new ATOM 1784 N ALA A 131 18.260 0.268 -5.415 1.00 0.84 N ATOM 1785 CA ALA A 131 18.158 -0.509 -4.145 1.00 0.55 C ATOM 1786 C ALA A 131 19.567 -0.870 -3.656 1.00 0.29 C ATOM 1787 O ALA A 131 19.818 -1.991 -3.262 1.00 0.39 O ATOM 1788 CB ALA A 131 17.368 -1.804 -4.378 1.00 0.46 C ATOM 0 H ALA A 131 18.180 -0.281 -6.271 1.00 0.84 H new ATOM 0 HA ALA A 131 17.644 0.099 -3.400 1.00 0.55 H new ATOM 0 HB1 ALA A 131 17.301 -2.362 -3.444 1.00 0.46 H new ATOM 0 HB2 ALA A 131 16.365 -1.560 -4.728 1.00 0.46 H new ATOM 0 HB3 ALA A 131 17.877 -2.411 -5.127 1.00 0.46 H new ATOM 1794 N LYS A 132 20.495 0.066 -3.678 1.00 0.42 N ATOM 1795 CA LYS A 132 21.885 -0.233 -3.208 1.00 0.75 C ATOM 1796 C LYS A 132 21.822 -0.974 -1.872 1.00 1.25 C ATOM 1797 O LYS A 132 20.882 -0.824 -1.116 1.00 1.38 O ATOM 1798 CB LYS A 132 22.655 1.078 -3.030 1.00 0.80 C ATOM 1799 CG LYS A 132 21.934 1.957 -2.009 1.00 1.09 C ATOM 1800 CD LYS A 132 21.462 3.245 -2.685 1.00 2.55 C ATOM 1801 CE LYS A 132 20.518 3.996 -1.744 1.00 3.46 C ATOM 1802 NZ LYS A 132 21.313 4.880 -0.846 1.00 3.21 N ATOM 0 H LYS A 132 20.346 1.022 -4.002 1.00 0.42 H new ATOM 0 HA LYS A 132 22.393 -0.855 -3.945 1.00 0.75 H new ATOM 0 HB2 LYS A 132 23.672 0.873 -2.695 1.00 0.80 H new ATOM 0 HB3 LYS A 132 22.733 1.599 -3.984 1.00 0.80 H new ATOM 0 HG2 LYS A 132 21.083 1.421 -1.589 1.00 1.09 H new ATOM 0 HG3 LYS A 132 22.602 2.193 -1.181 1.00 1.09 H new ATOM 0 HD2 LYS A 132 22.318 3.872 -2.936 1.00 2.55 H new ATOM 0 HD3 LYS A 132 20.952 3.012 -3.620 1.00 2.55 H new ATOM 0 HE2 LYS A 132 19.808 4.589 -2.321 1.00 3.46 H new ATOM 0 HE3 LYS A 132 19.936 3.288 -1.154 1.00 3.46 H new ATOM 0 HZ1 LYS A 132 20.672 5.391 -0.206 1.00 3.21 H new ATOM 0 HZ2 LYS A 132 21.973 4.303 -0.287 1.00 3.21 H new ATOM 0 HZ3 LYS A 132 21.849 5.564 -1.418 1.00 3.21 H new ATOM 1816 N ASN A 133 22.794 -1.793 -1.582 1.00 1.71 N ATOM 1817 CA ASN A 133 22.753 -2.559 -0.307 1.00 2.17 C ATOM 1818 C ASN A 133 21.476 -3.393 -0.302 1.00 1.77 C ATOM 1819 O ASN A 133 20.834 -3.583 0.711 1.00 1.94 O ATOM 1820 CB ASN A 133 22.752 -1.597 0.884 1.00 2.64 C ATOM 1821 CG ASN A 133 24.042 -1.775 1.685 1.00 3.06 C ATOM 1822 OD1 ASN A 133 25.125 -1.656 1.149 1.00 2.83 O ATOM 1823 ND2 ASN A 133 23.971 -2.057 2.958 1.00 3.96 N ATOM 0 H ASN A 133 23.610 -1.964 -2.169 1.00 1.71 H new ATOM 0 HA ASN A 133 23.628 -3.203 -0.225 1.00 2.17 H new ATOM 0 HB2 ASN A 133 22.668 -0.568 0.534 1.00 2.64 H new ATOM 0 HB3 ASN A 133 21.887 -1.789 1.519 1.00 2.64 H new ATOM 0 HD21 ASN A 133 24.825 -2.177 3.502 1.00 3.96 H new ATOM 0 HD22 ASN A 133 23.061 -2.157 3.408 1.00 3.96 H new ATOM 1830 N LEU A 134 21.114 -3.879 -1.451 1.00 1.32 N ATOM 1831 CA LEU A 134 19.882 -4.702 -1.583 1.00 0.87 C ATOM 1832 C LEU A 134 19.986 -5.538 -2.857 1.00 0.81 C ATOM 1833 O LEU A 134 21.041 -5.620 -3.451 1.00 1.19 O ATOM 1834 CB LEU A 134 18.660 -3.787 -1.665 1.00 0.58 C ATOM 1835 CG LEU A 134 17.588 -4.276 -0.691 1.00 0.95 C ATOM 1836 CD1 LEU A 134 17.474 -3.298 0.479 1.00 1.40 C ATOM 1837 CD2 LEU A 134 16.242 -4.358 -1.415 1.00 1.48 C ATOM 0 H LEU A 134 21.628 -3.739 -2.321 1.00 1.32 H new ATOM 0 HA LEU A 134 19.777 -5.357 -0.718 1.00 0.87 H new ATOM 0 HB2 LEU A 134 18.944 -2.762 -1.425 1.00 0.58 H new ATOM 0 HB3 LEU A 134 18.266 -3.779 -2.681 1.00 0.58 H new ATOM 0 HG LEU A 134 17.863 -5.262 -0.316 1.00 0.95 H new ATOM 0 HD11 LEU A 134 16.709 -3.648 1.173 1.00 1.40 H new ATOM 0 HD12 LEU A 134 18.432 -3.236 0.996 1.00 1.40 H new ATOM 0 HD13 LEU A 134 17.200 -2.312 0.104 1.00 1.40 H new ATOM 0 HD21 LEU A 134 15.477 -4.707 -0.722 1.00 1.48 H new ATOM 0 HD22 LEU A 134 15.970 -3.371 -1.790 1.00 1.48 H new ATOM 0 HD23 LEU A 134 16.320 -5.055 -2.250 1.00 1.48 H new ATOM 1849 N ASP A 135 18.890 -6.142 -3.271 1.00 0.71 N ATOM 1850 CA ASP A 135 18.853 -6.997 -4.513 1.00 1.21 C ATOM 1851 C ASP A 135 17.860 -8.139 -4.287 1.00 2.09 C ATOM 1852 O ASP A 135 18.222 -9.300 -4.316 1.00 3.00 O ATOM 1853 CB ASP A 135 20.222 -7.623 -4.832 1.00 2.38 C ATOM 1854 CG ASP A 135 20.968 -6.751 -5.846 1.00 2.57 C ATOM 1855 OD1 ASP A 135 20.330 -5.913 -6.462 1.00 2.50 O ATOM 1856 OD2 ASP A 135 22.164 -6.936 -5.988 1.00 3.41 O ATOM 0 H ASP A 135 17.995 -6.076 -2.787 1.00 0.71 H new ATOM 0 HA ASP A 135 18.564 -6.357 -5.347 1.00 1.21 H new ATOM 0 HB2 ASP A 135 20.810 -7.719 -3.919 1.00 2.38 H new ATOM 0 HB3 ASP A 135 20.088 -8.628 -5.232 1.00 2.38 H new ATOM 1861 N ALA A 136 16.612 -7.833 -4.068 1.00 2.16 N ATOM 1862 CA ALA A 136 15.625 -8.916 -3.851 1.00 3.32 C ATOM 1863 C ALA A 136 14.228 -8.379 -4.011 1.00 2.16 C ATOM 1864 O ALA A 136 13.434 -8.365 -3.092 1.00 2.97 O ATOM 1865 CB ALA A 136 15.787 -9.509 -2.455 1.00 5.19 C ATOM 0 H ALA A 136 16.238 -6.885 -4.031 1.00 2.16 H new ATOM 0 HA ALA A 136 15.799 -9.697 -4.591 1.00 3.32 H new ATOM 0 HB1 ALA A 136 15.055 -10.304 -2.310 1.00 5.19 H new ATOM 0 HB2 ALA A 136 16.792 -9.917 -2.348 1.00 5.19 H new ATOM 0 HB3 ALA A 136 15.630 -8.730 -1.708 1.00 5.19 H new ATOM 1871 N ILE A 137 13.925 -7.942 -5.180 1.00 0.39 N ATOM 1872 CA ILE A 137 12.581 -7.399 -5.424 1.00 0.91 C ATOM 1873 C ILE A 137 11.643 -8.519 -5.851 1.00 0.35 C ATOM 1874 O ILE A 137 11.306 -8.663 -7.009 1.00 1.29 O ATOM 1875 CB ILE A 137 12.653 -6.337 -6.508 1.00 2.37 C ATOM 1876 CG1 ILE A 137 13.931 -5.475 -6.361 1.00 3.39 C ATOM 1877 CG2 ILE A 137 11.417 -5.453 -6.401 1.00 3.22 C ATOM 1878 CD1 ILE A 137 14.185 -5.073 -4.895 1.00 1.84 C ATOM 0 H ILE A 137 14.552 -7.936 -5.984 1.00 0.39 H new ATOM 0 HA ILE A 137 12.199 -6.949 -4.508 1.00 0.91 H new ATOM 0 HB ILE A 137 12.690 -6.823 -7.483 1.00 2.37 H new ATOM 0 HG12 ILE A 137 14.789 -6.030 -6.740 1.00 3.39 H new ATOM 0 HG13 ILE A 137 13.837 -4.578 -6.973 1.00 3.39 H new ATOM 0 HG21 ILE A 137 11.452 -4.684 -7.173 1.00 3.22 H new ATOM 0 HG22 ILE A 137 10.522 -6.061 -6.535 1.00 3.22 H new ATOM 0 HG23 ILE A 137 11.391 -4.981 -5.419 1.00 3.22 H new ATOM 0 HD11 ILE A 137 15.091 -4.469 -4.835 1.00 1.84 H new ATOM 0 HD12 ILE A 137 13.338 -4.495 -4.524 1.00 1.84 H new ATOM 0 HD13 ILE A 137 14.306 -5.970 -4.288 1.00 1.84 H new ATOM 1890 N THR A 138 11.208 -9.306 -4.911 1.00 1.79 N ATOM 1891 CA THR A 138 10.278 -10.414 -5.240 1.00 2.39 C ATOM 1892 C THR A 138 8.998 -9.826 -5.827 1.00 1.94 C ATOM 1893 O THR A 138 8.635 -8.703 -5.536 1.00 1.83 O ATOM 1894 CB THR A 138 9.932 -11.174 -3.964 1.00 3.18 C ATOM 1895 OG1 THR A 138 11.003 -11.061 -3.036 1.00 3.14 O ATOM 1896 CG2 THR A 138 9.694 -12.645 -4.296 1.00 4.04 C ATOM 0 H THR A 138 11.458 -9.228 -3.925 1.00 1.79 H new ATOM 0 HA THR A 138 10.745 -11.089 -5.957 1.00 2.39 H new ATOM 0 HB THR A 138 9.029 -10.751 -3.524 1.00 3.18 H new ATOM 0 HG1 THR A 138 10.778 -11.548 -2.216 1.00 3.14 H new ATOM 0 HG21 THR A 138 9.447 -13.188 -3.384 1.00 4.04 H new ATOM 0 HG22 THR A 138 8.869 -12.729 -5.004 1.00 4.04 H new ATOM 0 HG23 THR A 138 10.596 -13.069 -4.738 1.00 4.04 H new ATOM 1904 N THR A 139 8.307 -10.568 -6.643 1.00 1.72 N ATOM 1905 CA THR A 139 7.052 -10.034 -7.228 1.00 1.32 C ATOM 1906 C THR A 139 6.252 -11.176 -7.882 1.00 1.13 C ATOM 1907 O THR A 139 6.832 -12.056 -8.487 1.00 1.30 O ATOM 1908 CB THR A 139 7.406 -8.968 -8.268 1.00 1.12 C ATOM 1909 OG1 THR A 139 6.225 -8.288 -8.669 1.00 0.86 O ATOM 1910 CG2 THR A 139 8.070 -9.614 -9.489 1.00 1.38 C ATOM 0 H THR A 139 8.556 -11.515 -6.928 1.00 1.72 H new ATOM 0 HA THR A 139 6.438 -9.588 -6.446 1.00 1.32 H new ATOM 0 HB THR A 139 8.105 -8.259 -7.825 1.00 1.12 H new ATOM 0 HG1 THR A 139 6.254 -8.124 -9.635 1.00 0.86 H new ATOM 0 HG21 THR A 139 8.316 -8.843 -10.220 1.00 1.38 H new ATOM 0 HG22 THR A 139 8.982 -10.125 -9.180 1.00 1.38 H new ATOM 0 HG23 THR A 139 7.385 -10.334 -9.937 1.00 1.38 H new ATOM 1958 N THR A 143 1.012 -11.289 -14.207 1.00 0.70 N ATOM 1959 CA THR A 143 0.177 -12.448 -14.609 1.00 0.71 C ATOM 1960 C THR A 143 -0.464 -13.050 -13.359 1.00 0.75 C ATOM 1961 O THR A 143 -1.599 -13.486 -13.384 1.00 0.82 O ATOM 1962 CB THR A 143 1.055 -13.498 -15.294 1.00 0.91 C ATOM 1963 OG1 THR A 143 2.228 -13.706 -14.522 1.00 1.54 O ATOM 1964 CG2 THR A 143 1.440 -13.008 -16.692 1.00 1.01 C ATOM 0 HA THR A 143 -0.599 -12.125 -15.303 1.00 0.71 H new ATOM 0 HB THR A 143 0.505 -14.435 -15.379 1.00 0.91 H new ATOM 0 HG1 THR A 143 2.393 -12.921 -13.959 1.00 1.54 H new ATOM 0 HG21 THR A 143 2.065 -13.756 -17.180 1.00 1.01 H new ATOM 0 HG22 THR A 143 0.538 -12.848 -17.283 1.00 1.01 H new ATOM 0 HG23 THR A 143 1.991 -12.071 -16.610 1.00 1.01 H new ATOM 1972 N THR A 144 0.240 -13.066 -12.255 1.00 0.80 N ATOM 1973 CA THR A 144 -0.361 -13.627 -11.015 1.00 0.81 C ATOM 1974 C THR A 144 -1.157 -12.519 -10.328 1.00 0.73 C ATOM 1975 O THR A 144 -2.183 -12.756 -9.717 1.00 0.73 O ATOM 1976 CB THR A 144 0.742 -14.137 -10.085 1.00 0.88 C ATOM 1977 OG1 THR A 144 1.748 -14.781 -10.854 1.00 1.07 O ATOM 1978 CG2 THR A 144 0.148 -15.129 -9.083 1.00 0.91 C ATOM 0 H THR A 144 1.194 -12.718 -12.162 1.00 0.80 H new ATOM 0 HA THR A 144 -1.017 -14.463 -11.258 1.00 0.81 H new ATOM 0 HB THR A 144 1.180 -13.297 -9.545 1.00 0.88 H new ATOM 0 HG1 THR A 144 2.456 -15.107 -10.260 1.00 1.07 H new ATOM 0 HG21 THR A 144 0.934 -15.492 -8.421 1.00 0.91 H new ATOM 0 HG22 THR A 144 -0.623 -14.633 -8.493 1.00 0.91 H new ATOM 0 HG23 THR A 144 -0.291 -15.970 -9.620 1.00 0.91 H new ATOM 1986 N ASN A 145 -0.704 -11.304 -10.453 1.00 0.68 N ATOM 1987 CA ASN A 145 -1.440 -10.168 -9.843 1.00 0.61 C ATOM 1988 C ASN A 145 -2.726 -9.937 -10.637 1.00 0.60 C ATOM 1989 O ASN A 145 -3.629 -9.263 -10.189 1.00 0.62 O ATOM 1990 CB ASN A 145 -0.572 -8.909 -9.879 1.00 0.60 C ATOM 1991 CG ASN A 145 -0.316 -8.436 -8.448 1.00 0.55 C ATOM 1992 OD1 ASN A 145 0.775 -8.012 -8.121 1.00 0.60 O ATOM 1993 ND2 ASN A 145 -1.284 -8.490 -7.572 1.00 0.46 N ATOM 0 H ASN A 145 0.148 -11.050 -10.954 1.00 0.68 H new ATOM 0 HA ASN A 145 -1.682 -10.396 -8.805 1.00 0.61 H new ATOM 0 HB2 ASN A 145 0.373 -9.118 -10.380 1.00 0.60 H new ATOM 0 HB3 ASN A 145 -1.070 -8.126 -10.451 1.00 0.60 H new ATOM 0 HD21 ASN A 145 -1.124 -8.176 -6.615 1.00 0.46 H new ATOM 0 HD22 ASN A 145 -2.200 -8.846 -7.845 1.00 0.46 H new ATOM 2000 N ALA A 146 -2.823 -10.510 -11.810 1.00 0.58 N ATOM 2001 CA ALA A 146 -4.058 -10.348 -12.619 1.00 0.57 C ATOM 2002 C ALA A 146 -5.105 -11.314 -12.078 1.00 0.61 C ATOM 2003 O ALA A 146 -6.291 -11.070 -12.151 1.00 0.60 O ATOM 2004 CB ALA A 146 -3.758 -10.674 -14.083 1.00 0.68 C ATOM 0 H ALA A 146 -2.096 -11.083 -12.239 1.00 0.58 H new ATOM 0 HA ALA A 146 -4.423 -9.323 -12.557 1.00 0.57 H new ATOM 0 HB1 ALA A 146 -4.665 -10.555 -14.676 1.00 0.68 H new ATOM 0 HB2 ALA A 146 -2.989 -9.997 -14.456 1.00 0.68 H new ATOM 0 HB3 ALA A 146 -3.406 -11.702 -14.162 1.00 0.68 H new ATOM 2010 N SER A 147 -4.669 -12.409 -11.515 1.00 0.69 N ATOM 2011 CA SER A 147 -5.633 -13.384 -10.946 1.00 0.77 C ATOM 2012 C SER A 147 -6.135 -12.839 -9.611 1.00 0.68 C ATOM 2013 O SER A 147 -7.289 -12.983 -9.267 1.00 0.74 O ATOM 2014 CB SER A 147 -4.943 -14.732 -10.729 1.00 0.86 C ATOM 2015 OG SER A 147 -5.763 -15.554 -9.909 1.00 1.06 O ATOM 0 H SER A 147 -3.686 -12.667 -11.426 1.00 0.69 H new ATOM 0 HA SER A 147 -6.468 -13.528 -11.631 1.00 0.77 H new ATOM 0 HB2 SER A 147 -4.763 -15.219 -11.687 1.00 0.86 H new ATOM 0 HB3 SER A 147 -3.971 -14.584 -10.259 1.00 0.86 H new ATOM 0 HG SER A 147 -5.324 -16.419 -9.770 1.00 1.06 H new ATOM 2021 N LEU A 148 -5.285 -12.192 -8.859 1.00 0.55 N ATOM 2022 CA LEU A 148 -5.748 -11.624 -7.565 1.00 0.47 C ATOM 2023 C LEU A 148 -6.729 -10.492 -7.872 1.00 0.48 C ATOM 2024 O LEU A 148 -7.795 -10.427 -7.311 1.00 0.56 O ATOM 2025 CB LEU A 148 -4.558 -11.077 -6.759 1.00 0.33 C ATOM 2026 CG LEU A 148 -5.057 -10.098 -5.682 1.00 0.24 C ATOM 2027 CD1 LEU A 148 -6.106 -10.781 -4.802 1.00 0.47 C ATOM 2028 CD2 LEU A 148 -3.890 -9.642 -4.816 1.00 0.08 C ATOM 0 H LEU A 148 -4.302 -12.035 -9.083 1.00 0.55 H new ATOM 0 HA LEU A 148 -6.230 -12.400 -6.971 1.00 0.47 H new ATOM 0 HB2 LEU A 148 -4.016 -11.899 -6.292 1.00 0.33 H new ATOM 0 HB3 LEU A 148 -3.858 -10.572 -7.425 1.00 0.33 H new ATOM 0 HG LEU A 148 -5.504 -9.233 -6.172 1.00 0.24 H new ATOM 0 HD11 LEU A 148 -6.454 -10.082 -4.042 1.00 0.47 H new ATOM 0 HD12 LEU A 148 -6.948 -11.097 -5.418 1.00 0.47 H new ATOM 0 HD13 LEU A 148 -5.664 -11.652 -4.318 1.00 0.47 H new ATOM 0 HD21 LEU A 148 -4.250 -8.949 -4.056 1.00 0.08 H new ATOM 0 HD22 LEU A 148 -3.436 -10.507 -4.333 1.00 0.08 H new ATOM 0 HD23 LEU A 148 -3.148 -9.143 -5.439 1.00 0.08 H new ATOM 2040 N LEU A 149 -6.356 -9.600 -8.750 1.00 0.45 N ATOM 2041 CA LEU A 149 -7.254 -8.464 -9.099 1.00 0.44 C ATOM 2042 C LEU A 149 -8.542 -9.015 -9.697 1.00 0.55 C ATOM 2043 O LEU A 149 -9.600 -8.449 -9.530 1.00 0.60 O ATOM 2044 CB LEU A 149 -6.558 -7.560 -10.120 1.00 0.41 C ATOM 2045 CG LEU A 149 -7.469 -6.382 -10.471 1.00 0.35 C ATOM 2046 CD1 LEU A 149 -7.725 -5.542 -9.219 1.00 0.30 C ATOM 2047 CD2 LEU A 149 -6.790 -5.517 -11.534 1.00 0.33 C ATOM 0 H LEU A 149 -5.463 -9.610 -9.242 1.00 0.45 H new ATOM 0 HA LEU A 149 -7.484 -7.885 -8.204 1.00 0.44 H new ATOM 0 HB2 LEU A 149 -5.615 -7.194 -9.713 1.00 0.41 H new ATOM 0 HB3 LEU A 149 -6.319 -8.128 -11.019 1.00 0.41 H new ATOM 0 HG LEU A 149 -8.418 -6.757 -10.855 1.00 0.35 H new ATOM 0 HD11 LEU A 149 -8.374 -4.703 -9.470 1.00 0.30 H new ATOM 0 HD12 LEU A 149 -8.206 -6.158 -8.459 1.00 0.30 H new ATOM 0 HD13 LEU A 149 -6.778 -5.165 -8.834 1.00 0.30 H new ATOM 0 HD21 LEU A 149 -7.436 -4.677 -11.787 1.00 0.33 H new ATOM 0 HD22 LEU A 149 -5.842 -5.142 -11.147 1.00 0.33 H new ATOM 0 HD23 LEU A 149 -6.607 -6.115 -12.427 1.00 0.33 H new ATOM 2059 N THR A 150 -8.472 -10.126 -10.379 1.00 0.58 N ATOM 2060 CA THR A 150 -9.713 -10.705 -10.956 1.00 0.66 C ATOM 2061 C THR A 150 -10.589 -11.182 -9.788 1.00 0.59 C ATOM 2062 O THR A 150 -11.802 -11.209 -9.869 1.00 0.58 O ATOM 2063 CB THR A 150 -9.347 -11.853 -11.934 1.00 0.69 C ATOM 2064 OG1 THR A 150 -10.325 -11.915 -12.961 1.00 0.62 O ATOM 2065 CG2 THR A 150 -9.268 -13.219 -11.234 1.00 0.88 C ATOM 0 H THR A 150 -7.617 -10.652 -10.559 1.00 0.58 H new ATOM 0 HA THR A 150 -10.271 -9.968 -11.534 1.00 0.66 H new ATOM 0 HB THR A 150 -8.360 -11.635 -12.343 1.00 0.69 H new ATOM 0 HG1 THR A 150 -10.100 -12.637 -13.584 1.00 0.62 H new ATOM 0 HG21 THR A 150 -9.009 -13.987 -11.963 1.00 0.88 H new ATOM 0 HG22 THR A 150 -8.506 -13.185 -10.456 1.00 0.88 H new ATOM 0 HG23 THR A 150 -10.233 -13.455 -10.786 1.00 0.88 H new ATOM 2073 N LYS A 151 -9.963 -11.548 -8.698 1.00 0.58 N ATOM 2074 CA LYS A 151 -10.715 -12.015 -7.501 1.00 0.53 C ATOM 2075 C LYS A 151 -11.263 -10.809 -6.728 1.00 0.56 C ATOM 2076 O LYS A 151 -12.309 -10.886 -6.117 1.00 0.53 O ATOM 2077 CB LYS A 151 -9.777 -12.817 -6.594 1.00 0.43 C ATOM 2078 CG LYS A 151 -10.590 -13.522 -5.506 1.00 0.43 C ATOM 2079 CD LYS A 151 -9.640 -14.200 -4.514 1.00 1.02 C ATOM 2080 CE LYS A 151 -10.018 -13.796 -3.088 1.00 1.06 C ATOM 2081 NZ LYS A 151 -10.763 -14.910 -2.434 1.00 1.74 N ATOM 0 H LYS A 151 -8.949 -11.542 -8.589 1.00 0.58 H new ATOM 0 HA LYS A 151 -11.546 -12.645 -7.820 1.00 0.53 H new ATOM 0 HB2 LYS A 151 -9.226 -13.550 -7.182 1.00 0.43 H new ATOM 0 HB3 LYS A 151 -9.041 -12.154 -6.139 1.00 0.43 H new ATOM 0 HG2 LYS A 151 -11.222 -12.802 -4.986 1.00 0.43 H new ATOM 0 HG3 LYS A 151 -11.252 -14.262 -5.955 1.00 0.43 H new ATOM 0 HD2 LYS A 151 -9.696 -15.283 -4.623 1.00 1.02 H new ATOM 0 HD3 LYS A 151 -8.610 -13.911 -4.724 1.00 1.02 H new ATOM 0 HE2 LYS A 151 -9.121 -13.560 -2.516 1.00 1.06 H new ATOM 0 HE3 LYS A 151 -10.631 -12.895 -3.105 1.00 1.06 H new ATOM 0 HZ1 LYS A 151 -11.019 -14.634 -1.465 1.00 1.74 H new ATOM 0 HZ2 LYS A 151 -11.627 -15.115 -2.976 1.00 1.74 H new ATOM 0 HZ3 LYS A 151 -10.163 -15.759 -2.405 1.00 1.74 H new ATOM 2095 N LEU A 152 -10.581 -9.686 -6.753 1.00 0.64 N ATOM 2096 CA LEU A 152 -11.108 -8.497 -6.023 1.00 0.69 C ATOM 2097 C LEU A 152 -12.341 -8.011 -6.769 1.00 0.74 C ATOM 2098 O LEU A 152 -13.324 -7.599 -6.184 1.00 0.75 O ATOM 2099 CB LEU A 152 -10.083 -7.346 -5.999 1.00 0.75 C ATOM 2100 CG LEU A 152 -8.653 -7.861 -5.799 1.00 0.65 C ATOM 2101 CD1 LEU A 152 -7.687 -6.675 -5.797 1.00 0.47 C ATOM 2102 CD2 LEU A 152 -8.542 -8.595 -4.464 1.00 0.60 C ATOM 0 H LEU A 152 -9.696 -9.546 -7.241 1.00 0.64 H new ATOM 0 HA LEU A 152 -11.329 -8.784 -4.995 1.00 0.69 H new ATOM 0 HB2 LEU A 152 -10.141 -6.788 -6.934 1.00 0.75 H new ATOM 0 HB3 LEU A 152 -10.335 -6.652 -5.197 1.00 0.75 H new ATOM 0 HG LEU A 152 -8.404 -8.547 -6.609 1.00 0.65 H new ATOM 0 HD11 LEU A 152 -6.668 -7.036 -5.655 1.00 0.47 H new ATOM 0 HD12 LEU A 152 -7.756 -6.148 -6.749 1.00 0.47 H new ATOM 0 HD13 LEU A 152 -7.947 -5.995 -4.986 1.00 0.47 H new ATOM 0 HD21 LEU A 152 -7.522 -8.957 -4.331 1.00 0.60 H new ATOM 0 HD22 LEU A 152 -8.793 -7.913 -3.652 1.00 0.60 H new ATOM 0 HD23 LEU A 152 -9.231 -9.440 -4.455 1.00 0.60 H new ATOM 2114 N GLN A 153 -12.278 -8.046 -8.068 1.00 0.77 N ATOM 2115 CA GLN A 153 -13.416 -7.578 -8.892 1.00 0.84 C ATOM 2116 C GLN A 153 -14.486 -8.668 -8.960 1.00 0.80 C ATOM 2117 O GLN A 153 -15.644 -8.400 -9.218 1.00 0.81 O ATOM 2118 CB GLN A 153 -12.916 -7.254 -10.302 1.00 0.89 C ATOM 2119 CG GLN A 153 -12.339 -5.837 -10.326 1.00 0.94 C ATOM 2120 CD GLN A 153 -13.135 -4.974 -11.306 1.00 0.76 C ATOM 2121 OE1 GLN A 153 -14.327 -5.152 -11.459 1.00 0.85 O ATOM 2122 NE2 GLN A 153 -12.522 -4.041 -11.983 1.00 0.96 N ATOM 0 H GLN A 153 -11.475 -8.384 -8.598 1.00 0.77 H new ATOM 0 HA GLN A 153 -13.849 -6.683 -8.444 1.00 0.84 H new ATOM 0 HB2 GLN A 153 -12.155 -7.973 -10.604 1.00 0.89 H new ATOM 0 HB3 GLN A 153 -13.734 -7.337 -11.017 1.00 0.89 H new ATOM 0 HG2 GLN A 153 -12.378 -5.401 -9.328 1.00 0.94 H new ATOM 0 HG3 GLN A 153 -11.290 -5.866 -10.621 1.00 0.94 H new ATOM 0 HE21 GLN A 153 -11.521 -3.892 -11.854 1.00 0.96 H new ATOM 0 HE22 GLN A 153 -13.044 -3.461 -12.640 1.00 0.96 H new ATOM 2131 N ALA A 154 -14.112 -9.897 -8.728 1.00 0.76 N ATOM 2132 CA ALA A 154 -15.111 -10.999 -8.778 1.00 0.72 C ATOM 2133 C ALA A 154 -15.722 -11.188 -7.388 1.00 0.73 C ATOM 2134 O ALA A 154 -15.835 -12.290 -6.892 1.00 1.09 O ATOM 2135 CB ALA A 154 -14.423 -12.294 -9.213 1.00 0.80 C ATOM 0 H ALA A 154 -13.159 -10.184 -8.506 1.00 0.76 H new ATOM 0 HA ALA A 154 -15.895 -10.749 -9.493 1.00 0.72 H new ATOM 0 HB1 ALA A 154 -15.155 -13.101 -9.249 1.00 0.80 H new ATOM 0 HB2 ALA A 154 -13.983 -12.158 -10.201 1.00 0.80 H new ATOM 0 HB3 ALA A 154 -13.639 -12.547 -8.499 1.00 0.80 H new ATOM 2141 N GLN A 155 -16.117 -10.117 -6.756 1.00 0.77 N ATOM 2142 CA GLN A 155 -16.720 -10.229 -5.400 1.00 0.71 C ATOM 2143 C GLN A 155 -18.120 -9.616 -5.421 1.00 0.65 C ATOM 2144 O GLN A 155 -18.624 -9.231 -6.456 1.00 0.93 O ATOM 2145 CB GLN A 155 -15.852 -9.473 -4.391 1.00 0.77 C ATOM 2146 CG GLN A 155 -14.383 -9.845 -4.593 1.00 0.97 C ATOM 2147 CD GLN A 155 -14.129 -11.250 -4.045 1.00 1.49 C ATOM 2148 OE1 GLN A 155 -15.001 -12.096 -4.081 1.00 1.71 O ATOM 2149 NE2 GLN A 155 -12.964 -11.535 -3.533 1.00 1.90 N ATOM 0 H GLN A 155 -16.047 -9.167 -7.122 1.00 0.77 H new ATOM 0 HA GLN A 155 -16.781 -11.279 -5.113 1.00 0.71 H new ATOM 0 HB2 GLN A 155 -15.985 -8.398 -4.516 1.00 0.77 H new ATOM 0 HB3 GLN A 155 -16.162 -9.717 -3.375 1.00 0.77 H new ATOM 0 HG2 GLN A 155 -14.130 -9.806 -5.652 1.00 0.97 H new ATOM 0 HG3 GLN A 155 -13.742 -9.124 -4.085 1.00 0.97 H new ATOM 0 HE21 GLN A 155 -12.233 -10.825 -3.503 1.00 1.90 H new ATOM 0 HE22 GLN A 155 -12.784 -12.468 -3.163 1.00 1.90 H new ATOM 2158 N ASN A 156 -18.747 -9.513 -4.283 1.00 0.53 N ATOM 2159 CA ASN A 156 -20.107 -8.915 -4.238 1.00 0.43 C ATOM 2160 C ASN A 156 -19.984 -7.424 -3.936 1.00 0.35 C ATOM 2161 O ASN A 156 -18.983 -6.972 -3.420 1.00 0.40 O ATOM 2162 CB ASN A 156 -20.927 -9.593 -3.138 1.00 0.42 C ATOM 2163 CG ASN A 156 -20.966 -11.104 -3.385 1.00 0.88 C ATOM 2164 OD1 ASN A 156 -20.739 -11.556 -4.489 1.00 1.76 O ATOM 2165 ND2 ASN A 156 -21.246 -11.906 -2.396 1.00 0.44 N ATOM 0 H ASN A 156 -18.376 -9.817 -3.383 1.00 0.53 H new ATOM 0 HA ASN A 156 -20.605 -9.057 -5.197 1.00 0.43 H new ATOM 0 HB2 ASN A 156 -20.488 -9.385 -2.162 1.00 0.42 H new ATOM 0 HB3 ASN A 156 -21.940 -9.190 -3.124 1.00 0.42 H new ATOM 0 HD21 ASN A 156 -21.275 -12.914 -2.549 1.00 0.44 H new ATOM 0 HD22 ASN A 156 -21.437 -11.525 -1.469 1.00 0.44 H new ATOM 2172 N GLN A 157 -20.995 -6.657 -4.251 1.00 0.45 N ATOM 2173 CA GLN A 157 -20.945 -5.181 -3.978 1.00 0.41 C ATOM 2174 C GLN A 157 -20.444 -4.940 -2.553 1.00 0.39 C ATOM 2175 O GLN A 157 -19.612 -4.091 -2.303 1.00 0.37 O ATOM 2176 CB GLN A 157 -22.344 -4.561 -4.115 1.00 0.35 C ATOM 2177 CG GLN A 157 -23.438 -5.574 -3.753 1.00 2.42 C ATOM 2178 CD GLN A 157 -24.067 -6.131 -5.033 1.00 3.48 C ATOM 2179 OE1 GLN A 157 -23.834 -5.623 -6.111 1.00 2.96 O ATOM 2180 NE2 GLN A 157 -24.864 -7.162 -4.958 1.00 5.11 N ATOM 0 H GLN A 157 -21.857 -6.985 -4.687 1.00 0.45 H new ATOM 0 HA GLN A 157 -20.271 -4.720 -4.700 1.00 0.41 H new ATOM 0 HB2 GLN A 157 -22.423 -3.689 -3.466 1.00 0.35 H new ATOM 0 HB3 GLN A 157 -22.492 -4.212 -5.137 1.00 0.35 H new ATOM 0 HG2 GLN A 157 -23.015 -6.385 -3.161 1.00 2.42 H new ATOM 0 HG3 GLN A 157 -24.201 -5.096 -3.139 1.00 2.42 H new ATOM 0 HE21 GLN A 157 -25.061 -7.590 -4.053 1.00 5.11 H new ATOM 0 HE22 GLN A 157 -25.290 -7.540 -5.804 1.00 5.11 H new ATOM 2189 N TRP A 158 -20.955 -5.690 -1.627 1.00 0.44 N ATOM 2190 CA TRP A 158 -20.529 -5.538 -0.208 1.00 0.41 C ATOM 2191 C TRP A 158 -19.022 -5.785 -0.097 1.00 0.40 C ATOM 2192 O TRP A 158 -18.287 -4.980 0.444 1.00 0.25 O ATOM 2193 CB TRP A 158 -21.270 -6.559 0.654 1.00 0.41 C ATOM 2194 CG TRP A 158 -20.950 -6.315 2.095 1.00 0.41 C ATOM 2195 CD1 TRP A 158 -19.803 -6.684 2.710 1.00 0.33 C ATOM 2196 CD2 TRP A 158 -21.763 -5.654 3.109 1.00 0.56 C ATOM 2197 NE1 TRP A 158 -19.860 -6.292 4.036 1.00 0.35 N ATOM 2198 CE2 TRP A 158 -21.048 -5.653 4.330 1.00 0.51 C ATOM 2199 CE3 TRP A 158 -23.038 -5.061 3.086 1.00 0.78 C ATOM 2200 CZ2 TRP A 158 -21.579 -5.085 5.489 1.00 0.66 C ATOM 2201 CZ3 TRP A 158 -23.576 -4.488 4.250 1.00 0.94 C ATOM 2202 CH2 TRP A 158 -22.849 -4.500 5.449 1.00 0.89 C ATOM 0 H TRP A 158 -21.658 -6.411 -1.790 1.00 0.44 H new ATOM 0 HA TRP A 158 -20.760 -4.529 0.134 1.00 0.41 H new ATOM 0 HB2 TRP A 158 -22.345 -6.479 0.490 1.00 0.41 H new ATOM 0 HB3 TRP A 158 -20.979 -7.571 0.371 1.00 0.41 H new ATOM 0 HD1 TRP A 158 -18.978 -7.200 2.243 1.00 0.33 H new ATOM 0 HE1 TRP A 158 -19.115 -6.455 4.713 1.00 0.35 H new ATOM 0 HE3 TRP A 158 -23.607 -5.046 2.168 1.00 0.78 H new ATOM 0 HZ2 TRP A 158 -21.014 -5.097 6.409 1.00 0.66 H new ATOM 0 HZ3 TRP A 158 -24.556 -4.035 4.221 1.00 0.94 H new ATOM 0 HH2 TRP A 158 -23.269 -4.058 6.340 1.00 0.89 H new ATOM 2213 N LEU A 159 -18.555 -6.896 -0.602 1.00 0.60 N ATOM 2214 CA LEU A 159 -17.097 -7.200 -0.523 1.00 0.62 C ATOM 2215 C LEU A 159 -16.305 -6.196 -1.371 1.00 0.56 C ATOM 2216 O LEU A 159 -15.097 -6.123 -1.286 1.00 0.60 O ATOM 2217 CB LEU A 159 -16.845 -8.618 -1.039 1.00 0.77 C ATOM 2218 CG LEU A 159 -17.564 -9.622 -0.135 1.00 1.07 C ATOM 2219 CD1 LEU A 159 -17.389 -11.033 -0.700 1.00 1.17 C ATOM 2220 CD2 LEU A 159 -16.967 -9.558 1.273 1.00 0.97 C ATOM 0 H LEU A 159 -19.121 -7.606 -1.066 1.00 0.60 H new ATOM 0 HA LEU A 159 -16.771 -7.124 0.514 1.00 0.62 H new ATOM 0 HB2 LEU A 159 -17.203 -8.713 -2.064 1.00 0.77 H new ATOM 0 HB3 LEU A 159 -15.775 -8.827 -1.055 1.00 0.77 H new ATOM 0 HG LEU A 159 -18.625 -9.378 -0.091 1.00 1.07 H new ATOM 0 HD11 LEU A 159 -17.901 -11.749 -0.057 1.00 1.17 H new ATOM 0 HD12 LEU A 159 -17.813 -11.079 -1.703 1.00 1.17 H new ATOM 0 HD13 LEU A 159 -16.328 -11.278 -0.744 1.00 1.17 H new ATOM 0 HD21 LEU A 159 -17.478 -10.273 1.918 1.00 0.97 H new ATOM 0 HD22 LEU A 159 -15.906 -9.803 1.230 1.00 0.97 H new ATOM 0 HD23 LEU A 159 -17.091 -8.553 1.676 1.00 0.97 H new ATOM 2232 N GLN A 160 -16.971 -5.418 -2.184 1.00 0.61 N ATOM 2233 CA GLN A 160 -16.247 -4.422 -3.019 1.00 0.64 C ATOM 2234 C GLN A 160 -15.815 -3.255 -2.133 1.00 0.43 C ATOM 2235 O GLN A 160 -14.679 -2.824 -2.164 1.00 0.31 O ATOM 2236 CB GLN A 160 -17.177 -3.916 -4.126 1.00 0.92 C ATOM 2237 CG GLN A 160 -16.345 -3.404 -5.301 1.00 1.52 C ATOM 2238 CD GLN A 160 -15.826 -2.002 -4.983 1.00 2.80 C ATOM 2239 OE1 GLN A 160 -16.261 -1.383 -4.031 1.00 3.75 O ATOM 2240 NE2 GLN A 160 -14.910 -1.468 -5.744 1.00 3.48 N ATOM 0 H GLN A 160 -17.984 -5.431 -2.304 1.00 0.61 H new ATOM 0 HA GLN A 160 -15.369 -4.882 -3.472 1.00 0.64 H new ATOM 0 HB2 GLN A 160 -17.836 -4.719 -4.457 1.00 0.92 H new ATOM 0 HB3 GLN A 160 -17.814 -3.118 -3.743 1.00 0.92 H new ATOM 0 HG2 GLN A 160 -15.510 -4.078 -5.491 1.00 1.52 H new ATOM 0 HG3 GLN A 160 -16.950 -3.383 -6.207 1.00 1.52 H new ATOM 0 HE21 GLN A 160 -14.545 -1.987 -6.543 1.00 3.48 H new ATOM 0 HE22 GLN A 160 -14.559 -0.532 -5.540 1.00 3.48 H new ATOM 2249 N ASP A 161 -16.709 -2.745 -1.331 1.00 0.46 N ATOM 2250 CA ASP A 161 -16.342 -1.617 -0.432 1.00 0.45 C ATOM 2251 C ASP A 161 -15.342 -2.125 0.606 1.00 0.28 C ATOM 2252 O ASP A 161 -14.421 -1.433 0.990 1.00 0.50 O ATOM 2253 CB ASP A 161 -17.593 -1.094 0.278 1.00 0.61 C ATOM 2254 CG ASP A 161 -17.236 0.148 1.097 1.00 0.92 C ATOM 2255 OD1 ASP A 161 -16.351 0.050 1.931 1.00 1.86 O ATOM 2256 OD2 ASP A 161 -17.853 1.177 0.874 1.00 0.88 O ATOM 0 H ASP A 161 -17.676 -3.061 -1.260 1.00 0.46 H new ATOM 0 HA ASP A 161 -15.900 -0.809 -1.014 1.00 0.45 H new ATOM 0 HB2 ASP A 161 -18.364 -0.851 -0.453 1.00 0.61 H new ATOM 0 HB3 ASP A 161 -18.004 -1.866 0.929 1.00 0.61 H new ATOM 2261 N MET A 162 -15.515 -3.338 1.053 1.00 0.11 N ATOM 2262 CA MET A 162 -14.577 -3.909 2.057 1.00 0.42 C ATOM 2263 C MET A 162 -13.156 -3.882 1.473 1.00 0.34 C ATOM 2264 O MET A 162 -12.264 -3.276 2.025 1.00 0.21 O ATOM 2265 CB MET A 162 -15.034 -5.351 2.396 1.00 0.69 C ATOM 2266 CG MET A 162 -13.846 -6.294 2.658 1.00 0.75 C ATOM 2267 SD MET A 162 -12.895 -5.703 4.080 1.00 0.62 S ATOM 2268 CE MET A 162 -11.319 -5.446 3.224 1.00 0.33 C ATOM 0 H MET A 162 -16.270 -3.960 0.764 1.00 0.11 H new ATOM 0 HA MET A 162 -14.577 -3.326 2.978 1.00 0.42 H new ATOM 0 HB2 MET A 162 -15.678 -5.328 3.275 1.00 0.69 H new ATOM 0 HB3 MET A 162 -15.632 -5.743 1.573 1.00 0.69 H new ATOM 0 HG2 MET A 162 -14.207 -7.305 2.846 1.00 0.75 H new ATOM 0 HG3 MET A 162 -13.207 -6.342 1.776 1.00 0.75 H new ATOM 0 HE1 MET A 162 -10.533 -6.003 3.734 1.00 0.33 H new ATOM 0 HE2 MET A 162 -11.402 -5.796 2.195 1.00 0.33 H new ATOM 0 HE3 MET A 162 -11.072 -4.384 3.227 1.00 0.33 H new ATOM 2278 N THR A 163 -12.954 -4.547 0.364 1.00 0.46 N ATOM 2279 CA THR A 163 -11.601 -4.591 -0.275 1.00 0.41 C ATOM 2280 C THR A 163 -10.926 -3.213 -0.236 1.00 0.40 C ATOM 2281 O THR A 163 -9.928 -3.027 0.423 1.00 0.44 O ATOM 2282 CB THR A 163 -11.752 -5.043 -1.730 1.00 0.40 C ATOM 2283 OG1 THR A 163 -12.472 -6.266 -1.768 1.00 0.39 O ATOM 2284 CG2 THR A 163 -10.367 -5.244 -2.348 1.00 0.44 C ATOM 0 H THR A 163 -13.677 -5.068 -0.133 1.00 0.46 H new ATOM 0 HA THR A 163 -10.976 -5.293 0.278 1.00 0.41 H new ATOM 0 HB THR A 163 -12.293 -4.284 -2.295 1.00 0.40 H new ATOM 0 HG1 THR A 163 -13.434 -6.079 -1.784 1.00 0.39 H new ATOM 0 HG21 THR A 163 -10.474 -5.566 -3.384 1.00 0.44 H new ATOM 0 HG22 THR A 163 -9.814 -4.305 -2.315 1.00 0.44 H new ATOM 0 HG23 THR A 163 -9.825 -6.004 -1.786 1.00 0.44 H new ATOM 2292 N THR A 164 -11.462 -2.254 -0.938 1.00 0.52 N ATOM 2293 CA THR A 164 -10.850 -0.888 -0.950 1.00 0.51 C ATOM 2294 C THR A 164 -10.529 -0.428 0.482 1.00 0.44 C ATOM 2295 O THR A 164 -9.482 0.132 0.742 1.00 0.49 O ATOM 2296 CB THR A 164 -11.838 0.093 -1.597 1.00 0.58 C ATOM 2297 OG1 THR A 164 -11.994 -0.237 -2.970 1.00 1.54 O ATOM 2298 CG2 THR A 164 -11.315 1.528 -1.478 1.00 0.76 C ATOM 0 H THR A 164 -12.302 -2.354 -1.508 1.00 0.52 H new ATOM 0 HA THR A 164 -9.921 -0.916 -1.520 1.00 0.51 H new ATOM 0 HB THR A 164 -12.797 0.021 -1.085 1.00 0.58 H new ATOM 0 HG1 THR A 164 -12.625 0.386 -3.386 1.00 1.54 H new ATOM 0 HG21 THR A 164 -12.025 2.214 -1.941 1.00 0.76 H new ATOM 0 HG22 THR A 164 -11.195 1.785 -0.426 1.00 0.76 H new ATOM 0 HG23 THR A 164 -10.352 1.607 -1.983 1.00 0.76 H new ATOM 2306 N HIS A 165 -11.425 -0.643 1.404 1.00 0.35 N ATOM 2307 CA HIS A 165 -11.184 -0.200 2.809 1.00 0.31 C ATOM 2308 C HIS A 165 -9.851 -0.756 3.337 1.00 0.21 C ATOM 2309 O HIS A 165 -8.964 -0.013 3.707 1.00 0.19 O ATOM 2310 CB HIS A 165 -12.341 -0.691 3.690 1.00 0.31 C ATOM 2311 CG HIS A 165 -12.058 -0.396 5.139 1.00 0.19 C ATOM 2312 ND1 HIS A 165 -11.928 -1.403 6.080 1.00 0.17 N ATOM 2313 CD2 HIS A 165 -11.873 0.782 5.820 1.00 0.33 C ATOM 2314 CE1 HIS A 165 -11.677 -0.822 7.266 1.00 0.36 C ATOM 2315 NE2 HIS A 165 -11.633 0.511 7.164 1.00 0.41 N ATOM 0 H HIS A 165 -12.319 -1.109 1.246 1.00 0.35 H new ATOM 0 HA HIS A 165 -11.130 0.888 2.836 1.00 0.31 H new ATOM 0 HB2 HIS A 165 -13.269 -0.205 3.388 1.00 0.31 H new ATOM 0 HB3 HIS A 165 -12.483 -1.763 3.551 1.00 0.31 H new ATOM 0 HD2 HIS A 165 -11.908 1.768 5.380 1.00 0.33 H new ATOM 0 HE1 HIS A 165 -11.529 -1.365 8.188 1.00 0.36 H new ATOM 0 HE2 HIS A 165 -11.461 1.184 7.911 1.00 0.41 H new ATOM 2323 N LEU A 166 -9.715 -2.052 3.407 1.00 0.18 N ATOM 2324 CA LEU A 166 -8.452 -2.643 3.946 1.00 0.07 C ATOM 2325 C LEU A 166 -7.251 -2.149 3.151 1.00 0.08 C ATOM 2326 O LEU A 166 -6.174 -2.001 3.685 1.00 0.09 O ATOM 2327 CB LEU A 166 -8.492 -4.170 3.857 1.00 0.07 C ATOM 2328 CG LEU A 166 -8.949 -4.782 5.193 1.00 1.13 C ATOM 2329 CD1 LEU A 166 -7.853 -4.591 6.242 1.00 1.13 C ATOM 2330 CD2 LEU A 166 -10.237 -4.110 5.687 1.00 2.25 C ATOM 0 H LEU A 166 -10.421 -2.728 3.115 1.00 0.18 H new ATOM 0 HA LEU A 166 -8.361 -2.335 4.988 1.00 0.07 H new ATOM 0 HB2 LEU A 166 -9.171 -4.475 3.061 1.00 0.07 H new ATOM 0 HB3 LEU A 166 -7.504 -4.550 3.597 1.00 0.07 H new ATOM 0 HG LEU A 166 -9.142 -5.844 5.038 1.00 1.13 H new ATOM 0 HD11 LEU A 166 -8.176 -5.024 7.189 1.00 1.13 H new ATOM 0 HD12 LEU A 166 -6.941 -5.086 5.909 1.00 1.13 H new ATOM 0 HD13 LEU A 166 -7.660 -3.527 6.377 1.00 1.13 H new ATOM 0 HD21 LEU A 166 -10.542 -4.558 6.633 1.00 2.25 H new ATOM 0 HD22 LEU A 166 -10.059 -3.044 5.831 1.00 2.25 H new ATOM 0 HD23 LEU A 166 -11.026 -4.249 4.948 1.00 2.25 H new ATOM 2342 N ILE A 167 -7.408 -1.909 1.877 1.00 0.08 N ATOM 2343 CA ILE A 167 -6.241 -1.443 1.081 1.00 0.11 C ATOM 2344 C ILE A 167 -5.687 -0.165 1.710 1.00 0.12 C ATOM 2345 O ILE A 167 -4.508 -0.052 1.982 1.00 0.17 O ATOM 2346 CB ILE A 167 -6.656 -1.163 -0.365 1.00 0.09 C ATOM 2347 CG1 ILE A 167 -7.140 -2.464 -1.011 1.00 0.14 C ATOM 2348 CG2 ILE A 167 -5.450 -0.618 -1.144 1.00 0.12 C ATOM 2349 CD1 ILE A 167 -7.560 -2.193 -2.457 1.00 0.18 C ATOM 0 H ILE A 167 -8.281 -2.014 1.361 1.00 0.08 H new ATOM 0 HA ILE A 167 -5.477 -2.221 1.079 1.00 0.11 H new ATOM 0 HB ILE A 167 -7.460 -0.427 -0.382 1.00 0.09 H new ATOM 0 HG12 ILE A 167 -6.347 -3.211 -0.986 1.00 0.14 H new ATOM 0 HG13 ILE A 167 -7.980 -2.871 -0.448 1.00 0.14 H new ATOM 0 HG21 ILE A 167 -5.743 -0.418 -2.175 1.00 0.12 H new ATOM 0 HG22 ILE A 167 -5.104 0.305 -0.679 1.00 0.12 H new ATOM 0 HG23 ILE A 167 -4.646 -1.354 -1.132 1.00 0.12 H new ATOM 0 HD11 ILE A 167 -7.904 -3.120 -2.916 1.00 0.18 H new ATOM 0 HD12 ILE A 167 -8.367 -1.460 -2.470 1.00 0.18 H new ATOM 0 HD13 ILE A 167 -6.709 -1.806 -3.017 1.00 0.18 H new ATOM 2361 N LEU A 168 -6.533 0.796 1.950 1.00 0.10 N ATOM 2362 CA LEU A 168 -6.061 2.064 2.570 1.00 0.15 C ATOM 2363 C LEU A 168 -5.691 1.809 4.035 1.00 0.10 C ATOM 2364 O LEU A 168 -5.001 2.593 4.653 1.00 0.13 O ATOM 2365 CB LEU A 168 -7.172 3.111 2.500 1.00 0.22 C ATOM 2366 CG LEU A 168 -7.459 3.450 1.037 1.00 0.50 C ATOM 2367 CD1 LEU A 168 -8.699 2.687 0.567 1.00 1.12 C ATOM 2368 CD2 LEU A 168 -7.705 4.954 0.905 1.00 0.75 C ATOM 0 H LEU A 168 -7.531 0.758 1.744 1.00 0.10 H new ATOM 0 HA LEU A 168 -5.186 2.427 2.032 1.00 0.15 H new ATOM 0 HB2 LEU A 168 -8.074 2.733 2.981 1.00 0.22 H new ATOM 0 HB3 LEU A 168 -6.875 4.009 3.041 1.00 0.22 H new ATOM 0 HG LEU A 168 -6.605 3.164 0.423 1.00 0.50 H new ATOM 0 HD11 LEU A 168 -8.902 2.930 -0.476 1.00 1.12 H new ATOM 0 HD12 LEU A 168 -8.525 1.615 0.663 1.00 1.12 H new ATOM 0 HD13 LEU A 168 -9.555 2.971 1.179 1.00 1.12 H new ATOM 0 HD21 LEU A 168 -7.910 5.199 -0.137 1.00 0.75 H new ATOM 0 HD22 LEU A 168 -8.559 5.238 1.519 1.00 0.75 H new ATOM 0 HD23 LEU A 168 -6.821 5.498 1.239 1.00 0.75 H new ATOM 2380 N ARG A 169 -6.144 0.716 4.595 1.00 0.11 N ATOM 2381 CA ARG A 169 -5.813 0.418 6.016 1.00 0.17 C ATOM 2382 C ARG A 169 -4.351 -0.025 6.111 1.00 0.18 C ATOM 2383 O ARG A 169 -3.652 0.303 7.053 1.00 0.22 O ATOM 2384 CB ARG A 169 -6.721 -0.703 6.530 1.00 0.22 C ATOM 2385 CG ARG A 169 -7.111 -0.420 7.983 1.00 0.43 C ATOM 2386 CD ARG A 169 -7.325 -1.743 8.722 1.00 0.83 C ATOM 2387 NE ARG A 169 -7.269 -1.507 10.193 1.00 0.64 N ATOM 2388 CZ ARG A 169 -7.536 -2.479 11.021 1.00 1.23 C ATOM 2389 NH1 ARG A 169 -6.677 -3.447 11.189 1.00 1.78 N ATOM 2390 NH2 ARG A 169 -8.664 -2.485 11.680 1.00 2.05 N ATOM 0 H ARG A 169 -6.727 0.021 4.129 1.00 0.11 H new ATOM 0 HA ARG A 169 -5.965 1.311 6.621 1.00 0.17 H new ATOM 0 HB2 ARG A 169 -7.615 -0.774 5.910 1.00 0.22 H new ATOM 0 HB3 ARG A 169 -6.207 -1.662 6.461 1.00 0.22 H new ATOM 0 HG2 ARG A 169 -6.330 0.160 8.474 1.00 0.43 H new ATOM 0 HG3 ARG A 169 -8.021 0.179 8.016 1.00 0.43 H new ATOM 0 HD2 ARG A 169 -8.289 -2.173 8.449 1.00 0.83 H new ATOM 0 HD3 ARG A 169 -6.561 -2.463 8.429 1.00 0.83 H new ATOM 0 HE ARG A 169 -7.022 -0.585 10.552 1.00 0.64 H new ATOM 0 HH11 ARG A 169 -5.797 -3.443 10.673 1.00 1.78 H new ATOM 0 HH12 ARG A 169 -6.885 -4.207 11.836 1.00 1.78 H new ATOM 0 HH21 ARG A 169 -9.336 -1.729 11.547 1.00 2.05 H new ATOM 0 HH22 ARG A 169 -8.872 -3.245 12.327 1.00 2.05 H new ATOM 2404 N SER A 170 -3.872 -0.750 5.135 1.00 0.19 N ATOM 2405 CA SER A 170 -2.463 -1.189 5.170 1.00 0.23 C ATOM 2406 C SER A 170 -1.605 -0.002 4.771 1.00 0.24 C ATOM 2407 O SER A 170 -0.646 0.323 5.421 1.00 0.27 O ATOM 2408 CB SER A 170 -2.257 -2.342 4.185 1.00 0.27 C ATOM 2409 OG SER A 170 -2.009 -3.539 4.912 1.00 0.65 O ATOM 0 H SER A 170 -4.403 -1.053 4.318 1.00 0.19 H new ATOM 0 HA SER A 170 -2.190 -1.538 6.166 1.00 0.23 H new ATOM 0 HB2 SER A 170 -3.139 -2.461 3.556 1.00 0.27 H new ATOM 0 HB3 SER A 170 -1.419 -2.125 3.522 1.00 0.27 H new ATOM 0 HG SER A 170 -1.878 -4.281 4.285 1.00 0.65 H new ATOM 2415 N PHE A 171 -1.962 0.676 3.719 1.00 0.21 N ATOM 2416 CA PHE A 171 -1.165 1.861 3.305 1.00 0.22 C ATOM 2417 C PHE A 171 -0.963 2.782 4.509 1.00 0.22 C ATOM 2418 O PHE A 171 0.122 3.251 4.765 1.00 0.22 O ATOM 2419 CB PHE A 171 -1.902 2.602 2.195 1.00 0.21 C ATOM 2420 CG PHE A 171 -1.509 1.990 0.879 1.00 0.21 C ATOM 2421 CD1 PHE A 171 -1.840 0.659 0.605 1.00 0.50 C ATOM 2422 CD2 PHE A 171 -0.794 2.742 -0.053 1.00 0.45 C ATOM 2423 CE1 PHE A 171 -1.457 0.081 -0.609 1.00 0.46 C ATOM 2424 CE2 PHE A 171 -0.404 2.166 -1.264 1.00 0.52 C ATOM 2425 CZ PHE A 171 -0.735 0.835 -1.545 1.00 0.28 C ATOM 0 H PHE A 171 -2.767 0.463 3.130 1.00 0.21 H new ATOM 0 HA PHE A 171 -0.191 1.541 2.934 1.00 0.22 H new ATOM 0 HB2 PHE A 171 -2.980 2.530 2.341 1.00 0.21 H new ATOM 0 HB3 PHE A 171 -1.648 3.662 2.212 1.00 0.21 H new ATOM 0 HD1 PHE A 171 -2.391 0.078 1.330 1.00 0.50 H new ATOM 0 HD2 PHE A 171 -0.542 3.770 0.162 1.00 0.45 H new ATOM 0 HE1 PHE A 171 -1.717 -0.945 -0.825 1.00 0.46 H new ATOM 0 HE2 PHE A 171 0.153 2.747 -1.984 1.00 0.52 H new ATOM 0 HZ PHE A 171 -0.435 0.389 -2.482 1.00 0.28 H new ATOM 2435 N LYS A 172 -1.992 3.019 5.269 1.00 0.22 N ATOM 2436 CA LYS A 172 -1.837 3.888 6.464 1.00 0.23 C ATOM 2437 C LYS A 172 -0.762 3.290 7.385 1.00 0.22 C ATOM 2438 O LYS A 172 0.283 3.875 7.599 1.00 0.22 O ATOM 2439 CB LYS A 172 -3.170 3.971 7.213 1.00 0.24 C ATOM 2440 CG LYS A 172 -3.246 5.295 7.977 1.00 0.82 C ATOM 2441 CD LYS A 172 -3.909 6.358 7.098 1.00 0.43 C ATOM 2442 CE LYS A 172 -3.888 7.707 7.821 1.00 0.72 C ATOM 2443 NZ LYS A 172 -4.235 8.791 6.858 1.00 0.94 N ATOM 0 H LYS A 172 -2.930 2.650 5.115 1.00 0.22 H new ATOM 0 HA LYS A 172 -1.537 4.889 6.155 1.00 0.23 H new ATOM 0 HB2 LYS A 172 -3.999 3.897 6.510 1.00 0.24 H new ATOM 0 HB3 LYS A 172 -3.263 3.134 7.905 1.00 0.24 H new ATOM 0 HG2 LYS A 172 -3.815 5.163 8.897 1.00 0.82 H new ATOM 0 HG3 LYS A 172 -2.246 5.619 8.264 1.00 0.82 H new ATOM 0 HD2 LYS A 172 -3.384 6.436 6.146 1.00 0.43 H new ATOM 0 HD3 LYS A 172 -4.936 6.070 6.874 1.00 0.43 H new ATOM 0 HE2 LYS A 172 -4.598 7.700 8.648 1.00 0.72 H new ATOM 0 HE3 LYS A 172 -2.902 7.887 8.249 1.00 0.72 H new ATOM 0 HZ1 LYS A 172 -4.221 9.708 7.348 1.00 0.94 H new ATOM 0 HZ2 LYS A 172 -3.542 8.802 6.083 1.00 0.94 H new ATOM 0 HZ3 LYS A 172 -5.185 8.620 6.470 1.00 0.94 H new ATOM 2457 N GLU A 173 -1.010 2.124 7.929 1.00 0.20 N ATOM 2458 CA GLU A 173 -0.004 1.487 8.836 1.00 0.19 C ATOM 2459 C GLU A 173 1.207 1.020 8.021 1.00 0.16 C ATOM 2460 O GLU A 173 2.282 1.571 8.125 1.00 0.12 O ATOM 2461 CB GLU A 173 -0.642 0.283 9.531 1.00 0.19 C ATOM 2462 CG GLU A 173 -0.335 0.331 11.030 1.00 0.48 C ATOM 2463 CD GLU A 173 -0.647 -1.030 11.656 1.00 1.14 C ATOM 2464 OE1 GLU A 173 0.084 -1.967 11.384 1.00 1.85 O ATOM 2465 OE2 GLU A 173 -1.614 -1.112 12.396 1.00 1.46 O ATOM 0 H GLU A 173 -1.864 1.586 7.785 1.00 0.20 H new ATOM 0 HA GLU A 173 0.322 2.213 9.581 1.00 0.19 H new ATOM 0 HB2 GLU A 173 -1.720 0.287 9.370 1.00 0.19 H new ATOM 0 HB3 GLU A 173 -0.259 -0.643 9.101 1.00 0.19 H new ATOM 0 HG2 GLU A 173 0.713 0.586 11.190 1.00 0.48 H new ATOM 0 HG3 GLU A 173 -0.929 1.109 11.509 1.00 0.48 H new ATOM 2472 N PHE A 174 1.024 -0.005 7.225 1.00 0.19 N ATOM 2473 CA PHE A 174 2.125 -0.571 6.371 1.00 0.16 C ATOM 2474 C PHE A 174 3.126 0.509 5.921 1.00 0.17 C ATOM 2475 O PHE A 174 4.295 0.455 6.257 1.00 0.18 O ATOM 2476 CB PHE A 174 1.492 -1.206 5.128 1.00 0.14 C ATOM 2477 CG PHE A 174 2.516 -2.023 4.388 1.00 0.24 C ATOM 2478 CD1 PHE A 174 2.732 -3.358 4.739 1.00 1.21 C ATOM 2479 CD2 PHE A 174 3.245 -1.443 3.346 1.00 2.02 C ATOM 2480 CE1 PHE A 174 3.682 -4.118 4.046 1.00 0.89 C ATOM 2481 CE2 PHE A 174 4.196 -2.199 2.652 1.00 2.36 C ATOM 2482 CZ PHE A 174 4.415 -3.538 3.002 1.00 0.93 C ATOM 0 H PHE A 174 0.132 -0.489 7.127 1.00 0.19 H new ATOM 0 HA PHE A 174 2.672 -1.305 6.963 1.00 0.16 H new ATOM 0 HB2 PHE A 174 0.653 -1.838 5.420 1.00 0.14 H new ATOM 0 HB3 PHE A 174 1.094 -0.429 4.475 1.00 0.14 H new ATOM 0 HD1 PHE A 174 2.167 -3.803 5.544 1.00 1.21 H new ATOM 0 HD2 PHE A 174 3.074 -0.411 3.077 1.00 2.02 H new ATOM 0 HE1 PHE A 174 3.850 -5.150 4.316 1.00 0.89 H new ATOM 0 HE2 PHE A 174 4.761 -1.751 1.848 1.00 2.36 H new ATOM 0 HZ PHE A 174 5.149 -4.123 2.467 1.00 0.93 H new ATOM 2492 N LEU A 175 2.693 1.482 5.158 1.00 0.16 N ATOM 2493 CA LEU A 175 3.652 2.529 4.701 1.00 0.17 C ATOM 2494 C LEU A 175 4.210 3.285 5.908 1.00 0.17 C ATOM 2495 O LEU A 175 5.375 3.612 5.950 1.00 0.18 O ATOM 2496 CB LEU A 175 2.956 3.521 3.770 1.00 0.15 C ATOM 2497 CG LEU A 175 2.687 2.867 2.412 1.00 0.22 C ATOM 2498 CD1 LEU A 175 1.477 3.530 1.761 1.00 0.31 C ATOM 2499 CD2 LEU A 175 3.897 3.053 1.497 1.00 0.21 C ATOM 0 H LEU A 175 1.731 1.595 4.837 1.00 0.16 H new ATOM 0 HA LEU A 175 4.464 2.040 4.163 1.00 0.17 H new ATOM 0 HB2 LEU A 175 2.018 3.853 4.215 1.00 0.15 H new ATOM 0 HB3 LEU A 175 3.578 4.407 3.639 1.00 0.15 H new ATOM 0 HG LEU A 175 2.499 1.804 2.562 1.00 0.22 H new ATOM 0 HD11 LEU A 175 1.284 3.066 0.794 1.00 0.31 H new ATOM 0 HD12 LEU A 175 0.605 3.407 2.403 1.00 0.31 H new ATOM 0 HD13 LEU A 175 1.676 4.592 1.620 1.00 0.31 H new ATOM 0 HD21 LEU A 175 3.699 2.585 0.532 1.00 0.21 H new ATOM 0 HD22 LEU A 175 4.084 4.117 1.353 1.00 0.21 H new ATOM 0 HD23 LEU A 175 4.772 2.589 1.952 1.00 0.21 H new ATOM 2511 N GLN A 176 3.387 3.573 6.887 1.00 0.18 N ATOM 2512 CA GLN A 176 3.881 4.316 8.089 1.00 0.22 C ATOM 2513 C GLN A 176 5.178 3.676 8.600 1.00 0.22 C ATOM 2514 O GLN A 176 6.209 4.318 8.684 1.00 0.28 O ATOM 2515 CB GLN A 176 2.818 4.266 9.191 1.00 0.23 C ATOM 2516 CG GLN A 176 2.224 5.661 9.401 1.00 0.31 C ATOM 2517 CD GLN A 176 2.367 6.059 10.871 1.00 0.43 C ATOM 2518 OE1 GLN A 176 2.704 7.185 11.178 1.00 1.45 O ATOM 2519 NE2 GLN A 176 2.123 5.175 11.798 1.00 1.16 N ATOM 0 H GLN A 176 2.397 3.327 6.906 1.00 0.18 H new ATOM 0 HA GLN A 176 4.076 5.353 7.816 1.00 0.22 H new ATOM 0 HB2 GLN A 176 2.031 3.563 8.918 1.00 0.23 H new ATOM 0 HB3 GLN A 176 3.260 3.905 10.120 1.00 0.23 H new ATOM 0 HG2 GLN A 176 2.734 6.385 8.766 1.00 0.31 H new ATOM 0 HG3 GLN A 176 1.173 5.668 9.112 1.00 0.31 H new ATOM 0 HE21 GLN A 176 1.840 4.230 11.539 1.00 1.16 H new ATOM 0 HE22 GLN A 176 2.215 5.429 12.782 1.00 1.16 H new ATOM 2528 N SER A 177 5.140 2.414 8.932 1.00 0.39 N ATOM 2529 CA SER A 177 6.372 1.740 9.424 1.00 0.44 C ATOM 2530 C SER A 177 7.467 1.872 8.365 1.00 0.40 C ATOM 2531 O SER A 177 8.637 1.968 8.674 1.00 0.44 O ATOM 2532 CB SER A 177 6.082 0.260 9.676 1.00 0.54 C ATOM 2533 OG SER A 177 4.903 0.139 10.461 1.00 0.57 O ATOM 0 H SER A 177 4.310 1.823 8.883 1.00 0.39 H new ATOM 0 HA SER A 177 6.699 2.205 10.354 1.00 0.44 H new ATOM 0 HB2 SER A 177 5.957 -0.264 8.729 1.00 0.54 H new ATOM 0 HB3 SER A 177 6.924 -0.205 10.189 1.00 0.54 H new ATOM 0 HG SER A 177 4.714 -0.809 10.623 1.00 0.57 H new ATOM 2539 N SER A 178 7.093 1.880 7.113 1.00 0.35 N ATOM 2540 CA SER A 178 8.109 2.007 6.027 1.00 0.33 C ATOM 2541 C SER A 178 8.934 3.282 6.229 1.00 0.25 C ATOM 2542 O SER A 178 10.147 3.269 6.142 1.00 0.29 O ATOM 2543 CB SER A 178 7.396 2.082 4.676 1.00 0.42 C ATOM 2544 OG SER A 178 6.353 1.119 4.641 1.00 1.87 O ATOM 0 H SER A 178 6.127 1.804 6.795 1.00 0.35 H new ATOM 0 HA SER A 178 8.771 1.141 6.053 1.00 0.33 H new ATOM 0 HB2 SER A 178 6.989 3.081 4.522 1.00 0.42 H new ATOM 0 HB3 SER A 178 8.104 1.898 3.868 1.00 0.42 H new ATOM 0 HG SER A 178 6.118 0.925 3.710 1.00 1.87 H new ATOM 2550 N LEU A 179 8.286 4.385 6.487 1.00 0.25 N ATOM 2551 CA LEU A 179 9.024 5.665 6.683 1.00 0.23 C ATOM 2552 C LEU A 179 9.935 5.560 7.908 1.00 0.25 C ATOM 2553 O LEU A 179 11.100 5.902 7.862 1.00 0.23 O ATOM 2554 CB LEU A 179 8.020 6.802 6.901 1.00 0.26 C ATOM 2555 CG LEU A 179 7.264 7.082 5.602 1.00 0.43 C ATOM 2556 CD1 LEU A 179 6.044 6.165 5.513 1.00 0.77 C ATOM 2557 CD2 LEU A 179 6.801 8.541 5.588 1.00 0.74 C ATOM 0 H LEU A 179 7.272 4.455 6.571 1.00 0.25 H new ATOM 0 HA LEU A 179 9.629 5.867 5.799 1.00 0.23 H new ATOM 0 HB2 LEU A 179 7.318 6.533 7.690 1.00 0.26 H new ATOM 0 HB3 LEU A 179 8.541 7.701 7.230 1.00 0.26 H new ATOM 0 HG LEU A 179 7.922 6.897 4.753 1.00 0.43 H new ATOM 0 HD11 LEU A 179 5.505 6.365 4.587 1.00 0.77 H new ATOM 0 HD12 LEU A 179 6.369 5.125 5.526 1.00 0.77 H new ATOM 0 HD13 LEU A 179 5.387 6.351 6.362 1.00 0.77 H new ATOM 0 HD21 LEU A 179 6.262 8.743 4.662 1.00 0.74 H new ATOM 0 HD22 LEU A 179 6.143 8.722 6.438 1.00 0.74 H new ATOM 0 HD23 LEU A 179 7.668 9.198 5.653 1.00 0.74 H new ATOM 2569 N ARG A 180 9.408 5.102 9.011 1.00 0.33 N ATOM 2570 CA ARG A 180 10.237 4.990 10.245 1.00 0.36 C ATOM 2571 C ARG A 180 11.444 4.078 9.993 1.00 0.45 C ATOM 2572 O ARG A 180 12.475 4.211 10.624 1.00 0.58 O ATOM 2573 CB ARG A 180 9.384 4.411 11.375 1.00 0.30 C ATOM 2574 CG ARG A 180 8.254 5.385 11.710 1.00 1.14 C ATOM 2575 CD ARG A 180 8.245 5.660 13.216 1.00 0.80 C ATOM 2576 NE ARG A 180 9.399 6.535 13.567 1.00 1.92 N ATOM 2577 CZ ARG A 180 10.003 6.386 14.714 1.00 2.58 C ATOM 2578 NH1 ARG A 180 9.431 6.802 15.812 1.00 2.72 N ATOM 2579 NH2 ARG A 180 11.177 5.819 14.764 1.00 3.63 N ATOM 0 H ARG A 180 8.439 4.800 9.111 1.00 0.33 H new ATOM 0 HA ARG A 180 10.597 5.980 10.524 1.00 0.36 H new ATOM 0 HB2 ARG A 180 8.971 3.447 11.077 1.00 0.30 H new ATOM 0 HB3 ARG A 180 10.000 4.235 12.257 1.00 0.30 H new ATOM 0 HG2 ARG A 180 8.388 6.317 11.160 1.00 1.14 H new ATOM 0 HG3 ARG A 180 7.296 4.967 11.400 1.00 1.14 H new ATOM 0 HD2 ARG A 180 7.310 6.140 13.503 1.00 0.80 H new ATOM 0 HD3 ARG A 180 8.304 4.722 13.768 1.00 0.80 H new ATOM 0 HE ARG A 180 9.716 7.249 12.912 1.00 1.92 H new ATOM 0 HH11 ARG A 180 8.512 7.243 15.773 1.00 2.72 H new ATOM 0 HH12 ARG A 180 9.903 6.686 16.709 1.00 2.72 H new ATOM 0 HH21 ARG A 180 11.623 5.492 13.907 1.00 3.63 H new ATOM 0 HH22 ARG A 180 11.649 5.702 15.661 1.00 3.63 H new ATOM 2593 N ALA A 181 11.332 3.158 9.075 1.00 0.39 N ATOM 2594 CA ALA A 181 12.477 2.250 8.796 1.00 0.47 C ATOM 2595 C ALA A 181 13.489 2.985 7.924 1.00 0.54 C ATOM 2596 O ALA A 181 14.680 2.759 8.010 1.00 0.60 O ATOM 2597 CB ALA A 181 11.979 1.001 8.065 1.00 0.43 C ATOM 0 H ALA A 181 10.499 2.997 8.508 1.00 0.39 H new ATOM 0 HA ALA A 181 12.946 1.950 9.733 1.00 0.47 H new ATOM 0 HB1 ALA A 181 12.820 0.338 7.862 1.00 0.43 H new ATOM 0 HB2 ALA A 181 11.250 0.482 8.687 1.00 0.43 H new ATOM 0 HB3 ALA A 181 11.512 1.292 7.124 1.00 0.43 H new ATOM 2603 N LEU A 182 13.025 3.870 7.088 1.00 0.55 N ATOM 2604 CA LEU A 182 13.964 4.624 6.220 1.00 0.64 C ATOM 2605 C LEU A 182 14.819 5.539 7.094 1.00 0.55 C ATOM 2606 O LEU A 182 16.012 5.669 6.899 1.00 0.44 O ATOM 2607 CB LEU A 182 13.176 5.455 5.207 1.00 0.74 C ATOM 2608 CG LEU A 182 12.874 4.598 3.979 1.00 0.85 C ATOM 2609 CD1 LEU A 182 11.647 5.152 3.259 1.00 2.11 C ATOM 2610 CD2 LEU A 182 14.077 4.625 3.033 1.00 0.47 C ATOM 0 H LEU A 182 12.039 4.102 6.970 1.00 0.55 H new ATOM 0 HA LEU A 182 14.607 3.930 5.679 1.00 0.64 H new ATOM 0 HB2 LEU A 182 12.248 5.810 5.654 1.00 0.74 H new ATOM 0 HB3 LEU A 182 13.749 6.336 4.918 1.00 0.74 H new ATOM 0 HG LEU A 182 12.678 3.572 4.290 1.00 0.85 H new ATOM 0 HD11 LEU A 182 11.432 4.540 2.383 1.00 2.11 H new ATOM 0 HD12 LEU A 182 10.791 5.134 3.933 1.00 2.11 H new ATOM 0 HD13 LEU A 182 11.841 6.178 2.946 1.00 2.11 H new ATOM 0 HD21 LEU A 182 13.864 4.014 2.156 1.00 0.47 H new ATOM 0 HD22 LEU A 182 14.272 5.651 2.722 1.00 0.47 H new ATOM 0 HD23 LEU A 182 14.953 4.229 3.547 1.00 0.47 H new ATOM 2622 N ARG A 183 14.217 6.163 8.069 1.00 0.59 N ATOM 2623 CA ARG A 183 14.993 7.057 8.973 1.00 0.52 C ATOM 2624 C ARG A 183 15.833 6.194 9.917 1.00 0.44 C ATOM 2625 O ARG A 183 16.850 6.620 10.427 1.00 0.39 O ATOM 2626 CB ARG A 183 14.026 7.919 9.789 1.00 0.53 C ATOM 2627 CG ARG A 183 14.603 9.327 9.947 1.00 0.83 C ATOM 2628 CD ARG A 183 15.431 9.400 11.230 1.00 1.95 C ATOM 2629 NE ARG A 183 16.788 9.928 10.917 1.00 3.20 N ATOM 2630 CZ ARG A 183 17.424 10.657 11.792 1.00 3.92 C ATOM 2631 NH1 ARG A 183 16.856 11.720 12.291 1.00 3.47 N ATOM 2632 NH2 ARG A 183 18.626 10.320 12.171 1.00 5.24 N ATOM 0 H ARG A 183 13.221 6.092 8.278 1.00 0.59 H new ATOM 0 HA ARG A 183 15.644 7.706 8.387 1.00 0.52 H new ATOM 0 HB2 ARG A 183 13.057 7.966 9.292 1.00 0.53 H new ATOM 0 HB3 ARG A 183 13.861 7.470 10.769 1.00 0.53 H new ATOM 0 HG2 ARG A 183 15.224 9.575 9.086 1.00 0.83 H new ATOM 0 HG3 ARG A 183 13.797 10.060 9.980 1.00 0.83 H new ATOM 0 HD2 ARG A 183 14.938 10.044 11.958 1.00 1.95 H new ATOM 0 HD3 ARG A 183 15.509 8.411 11.681 1.00 1.95 H new ATOM 0 HE ARG A 183 17.221 9.719 10.017 1.00 3.20 H new ATOM 0 HH11 ARG A 183 15.915 11.981 11.997 1.00 3.47 H new ATOM 0 HH12 ARG A 183 17.353 12.290 12.975 1.00 3.47 H new ATOM 0 HH21 ARG A 183 19.068 9.487 11.783 1.00 5.24 H new ATOM 0 HH22 ARG A 183 19.124 10.890 12.855 1.00 5.24 H new ATOM 2646 N GLN A 184 15.416 4.974 10.143 1.00 0.48 N ATOM 2647 CA GLN A 184 16.188 4.073 11.039 1.00 0.50 C ATOM 2648 C GLN A 184 17.441 3.599 10.307 1.00 0.67 C ATOM 2649 O GLN A 184 18.431 3.239 10.913 1.00 0.68 O ATOM 2650 CB GLN A 184 15.323 2.863 11.399 1.00 0.68 C ATOM 2651 CG GLN A 184 15.149 2.784 12.915 1.00 0.56 C ATOM 2652 CD GLN A 184 14.311 3.967 13.399 1.00 1.31 C ATOM 2653 OE1 GLN A 184 14.148 4.942 12.691 1.00 2.62 O ATOM 2654 NE2 GLN A 184 13.767 3.923 14.584 1.00 1.50 N ATOM 0 H GLN A 184 14.571 4.566 9.743 1.00 0.48 H new ATOM 0 HA GLN A 184 16.471 4.604 11.948 1.00 0.50 H new ATOM 0 HB2 GLN A 184 14.349 2.944 10.916 1.00 0.68 H new ATOM 0 HB3 GLN A 184 15.788 1.949 11.029 1.00 0.68 H new ATOM 0 HG2 GLN A 184 14.664 1.847 13.187 1.00 0.56 H new ATOM 0 HG3 GLN A 184 16.123 2.792 13.404 1.00 0.56 H new ATOM 0 HE21 GLN A 184 13.904 3.105 15.178 1.00 1.50 H new ATOM 0 HE22 GLN A 184 13.205 4.707 14.917 1.00 1.50 H new ATOM 2663 N MET A 185 17.403 3.591 9.003 1.00 0.82 N ATOM 2664 CA MET A 185 18.585 3.136 8.228 1.00 1.02 C ATOM 2665 C MET A 185 19.732 4.133 8.406 1.00 1.00 C ATOM 2666 O MET A 185 19.612 4.998 9.259 1.00 1.48 O ATOM 2667 CB MET A 185 18.214 3.041 6.748 1.00 1.46 C ATOM 2668 CG MET A 185 17.477 1.725 6.494 1.00 1.20 C ATOM 2669 SD MET A 185 16.243 1.963 5.191 1.00 1.64 S ATOM 2670 CE MET A 185 15.145 0.607 5.670 1.00 0.89 C ATOM 2671 OXT MET A 185 20.711 4.015 7.688 1.00 1.30 O ATOM 0 H MET A 185 16.602 3.881 8.442 1.00 0.82 H new ATOM 0 HA MET A 185 18.901 2.157 8.588 1.00 1.02 H new ATOM 0 HB2 MET A 185 17.584 3.884 6.465 1.00 1.46 H new ATOM 0 HB3 MET A 185 19.112 3.093 6.132 1.00 1.46 H new ATOM 0 HG2 MET A 185 18.185 0.950 6.201 1.00 1.20 H new ATOM 0 HG3 MET A 185 16.993 1.385 7.410 1.00 1.20 H new ATOM 0 HE1 MET A 185 14.131 0.824 5.334 1.00 0.89 H new ATOM 0 HE2 MET A 185 15.489 -0.320 5.211 1.00 0.89 H new ATOM 0 HE3 MET A 185 15.152 0.499 6.755 1.00 0.89 H new