USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 1099 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 124 ASN : amide:sc= 0.271 K(o=0.73,f=-0.8!) USER MOD Set 1.2: A 133 THR OG1 : rot -2:sc= 0.46 USER MOD Set 2.1: A 112 ASN : amide:sc= -3.27! C(o=-2.1!,f=-13!) USER MOD Set 2.2: A 152 LYS NZ :NH3+ -161:sc= 1.17 (180deg=-0.000489) USER MOD Set 3.1: A 101 ASN : amide:sc= -0.929 K(o=-0.93,f=-1.7) USER MOD Set 3.2: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 52 ASN :FLIP amide:sc= -4.55! C(o=-4.6!,f=-3.9!) USER MOD Set 4.2: A 60 LYS NZ :NH3+ 150:sc= -1.8! (180deg=-3.55!) USER MOD Set 4.3: A 62 THR OG1 : rot -155:sc= 2.28 USER MOD Set 4.4: A 70 ASN : amide:sc= 0.0662 K(o=-3.9,f=-4.6) USER MOD Set 4.5: A 85 THR OG1 : rot 175:sc= 0.146 USER MOD Set 5.1: A 53 TYR OH : rot -133:sc= 0.932 USER MOD Set 5.2: A 83 TYR OH : rot 66:sc= 0.305 USER MOD Set 5.3: A 117 ASN : amide:sc= 0.945 X(o=2.2,f=1.7) USER MOD Set 6.1: A 45 ASN : amide:sc= 0.0751 X(o=0.19,f=0) USER MOD Set 6.2: A 46 THR OG1 : rot 180:sc= 0.116 USER MOD Set 7.1: A 11 SER OG : rot -165:sc= 1.15 USER MOD Set 7.2: A 12 GLN : amide:sc= -0.0276 X(o=1.1,f=1) USER MOD Single : A 4 SER OG : rot -1:sc= 0.714 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 63:sc= 0.741 USER MOD Single : A 9 ASN :FLIP amide:sc= 0.638 F(o=0,f=0.64) USER MOD Single : A 10 LYS NZ :NH3+ 163:sc= -0.0422 (180deg=-0.308) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.0586 F(o=-2!,f=-0.059) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -157:sc= -0.269 (180deg=-0.895) USER MOD Single : A 20 SER OG : rot 72:sc= 1.21 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.334 K(o=0.33,f=-2.1!) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 1.12 K(o=1.1,f=-0.56) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -56:sc= 0.0489 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.555 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc=0.000417 USER MOD Single : A 41 THR OG1 : rot 80:sc= 0.313 USER MOD Single : A 47 SER OG : rot -49:sc= 0.255 USER MOD Single : A 54 LYS NZ :NH3+ -123:sc= 0.827 (180deg=0.607) USER MOD Single : A 56 THR OG1 : rot 180:sc=3.19e-05 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -1.76! C(o=-4.9!,f=-1.8!) USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= 0.401 (180deg=0.371) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.412 F(o=-1.9!,f=-0.41) USER MOD Single : A 75 ASN : amide:sc= -0.0435 K(o=-0.044,f=-0.59) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0969 F(o=-1.4!,f=-0.097) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -147:sc= -0.552! USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.135) USER MOD Single : A 96 SER OG : rot 140:sc= -0.494 USER MOD Single : A 99 THR OG1 : rot -85:sc= 1.29 USER MOD Single : A 105 SER OG : rot 130:sc= -0.106 USER MOD Single : A 107 LYS NZ :NH3+ 163:sc= 0.638 (180deg=0.48) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 41:sc= 0.00263 USER MOD Single : A 118 ASN : amide:sc= 0.02 X(o=0.02,f=0) USER MOD Single : A 120 THR OG1 : rot -150:sc= 0.132 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN :FLIP amide:sc=-0.00683 F(o=-1.1,f=-0.0068) USER MOD Single : A 131 LYS NZ :NH3+ 134:sc= -6.57! (180deg=-8.07!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot -8:sc= 1.05 USER MOD Single : A 142 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 145 LYS NZ :NH3+ -162:sc= -0.0454 (180deg=-0.307) USER MOD Single : A 146 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 147 THR OG1 : rot -143:sc= 0.0748 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot -81:sc= 0.0125 USER MOD Single : A 151 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 154 THR OG1 : rot -9:sc= 0.671! USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 180:sc= -0.0321 (180deg=-0.0321) USER MOD Single : A 158 LYS NZ :NH3+ -125:sc= 1 (180deg=-0.0621) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 4 -19.323 -6.756 0.321 1.00 1.43 N ATOM 53 CA SER A 4 -18.124 -6.363 -0.397 1.00 0.82 C ATOM 54 C SER A 4 -17.987 -7.146 -1.705 1.00 0.93 C ATOM 55 O SER A 4 -17.581 -6.584 -2.727 1.00 1.64 O ATOM 56 CB SER A 4 -16.907 -6.572 0.505 1.00 0.60 C ATOM 57 OG SER A 4 -17.266 -7.316 1.665 1.00 1.23 O ATOM 0 HA SER A 4 -18.192 -5.308 -0.661 1.00 0.82 H new ATOM 0 HB2 SER A 4 -16.126 -7.098 -0.044 1.00 0.60 H new ATOM 0 HB3 SER A 4 -16.495 -5.607 0.798 1.00 0.60 H new ATOM 0 HG SER A 4 -18.226 -7.513 1.643 1.00 1.23 H new ATOM 63 N ALA A 5 -18.329 -8.442 -1.651 1.00 1.31 N ATOM 64 CA ALA A 5 -18.354 -9.330 -2.829 1.00 1.41 C ATOM 65 C ALA A 5 -16.951 -9.638 -3.358 1.00 1.33 C ATOM 66 O ALA A 5 -16.565 -10.801 -3.489 1.00 1.96 O ATOM 67 CB ALA A 5 -19.233 -8.748 -3.933 1.00 1.72 C ATOM 0 H ALA A 5 -18.598 -8.909 -0.785 1.00 1.31 H new ATOM 0 HA ALA A 5 -18.787 -10.276 -2.502 1.00 1.41 H new ATOM 0 HB1 ALA A 5 -19.234 -9.422 -4.790 1.00 1.72 H new ATOM 0 HB2 ALA A 5 -20.251 -8.630 -3.563 1.00 1.72 H new ATOM 0 HB3 ALA A 5 -18.842 -7.777 -4.236 1.00 1.72 H new ATOM 73 N SER A 6 -16.185 -8.597 -3.644 1.00 1.05 N ATOM 74 CA SER A 6 -14.836 -8.745 -4.175 1.00 0.98 C ATOM 75 C SER A 6 -13.900 -9.309 -3.113 1.00 0.84 C ATOM 76 O SER A 6 -12.787 -9.743 -3.408 1.00 0.79 O ATOM 77 CB SER A 6 -14.322 -7.386 -4.642 1.00 1.17 C ATOM 78 OG SER A 6 -15.257 -6.758 -5.508 1.00 1.25 O ATOM 0 H SER A 6 -16.478 -7.628 -3.516 1.00 1.05 H new ATOM 0 HA SER A 6 -14.864 -9.438 -5.016 1.00 0.98 H new ATOM 0 HB2 SER A 6 -14.135 -6.748 -3.778 1.00 1.17 H new ATOM 0 HB3 SER A 6 -13.370 -7.511 -5.158 1.00 1.17 H new ATOM 0 HG SER A 6 -14.906 -5.888 -5.793 1.00 1.25 H new ATOM 84 N ASP A 7 -14.385 -9.320 -1.885 1.00 0.83 N ATOM 85 CA ASP A 7 -13.592 -9.705 -0.732 1.00 0.77 C ATOM 86 C ASP A 7 -13.361 -11.207 -0.712 1.00 0.72 C ATOM 87 O ASP A 7 -12.475 -11.704 -0.019 1.00 0.82 O ATOM 88 CB ASP A 7 -14.289 -9.238 0.555 1.00 0.85 C ATOM 89 CG ASP A 7 -15.625 -9.924 0.815 1.00 0.92 C ATOM 90 OD1 ASP A 7 -16.144 -10.621 -0.082 1.00 1.18 O ATOM 91 OD2 ASP A 7 -16.181 -9.736 1.914 1.00 1.36 O ATOM 0 H ASP A 7 -15.345 -9.061 -1.658 1.00 0.83 H new ATOM 0 HA ASP A 7 -12.617 -9.223 -0.797 1.00 0.77 H new ATOM 0 HB2 ASP A 7 -13.627 -9.420 1.402 1.00 0.85 H new ATOM 0 HB3 ASP A 7 -14.449 -8.161 0.500 1.00 0.85 H new ATOM 96 N SER A 8 -14.153 -11.922 -1.493 1.00 0.69 N ATOM 97 CA SER A 8 -14.027 -13.363 -1.582 1.00 0.75 C ATOM 98 C SER A 8 -13.561 -13.782 -2.976 1.00 0.78 C ATOM 99 O SER A 8 -12.781 -14.719 -3.127 1.00 1.03 O ATOM 100 CB SER A 8 -15.370 -14.013 -1.258 1.00 0.89 C ATOM 101 OG SER A 8 -15.935 -13.452 -0.084 1.00 1.49 O ATOM 0 H SER A 8 -14.891 -11.525 -2.075 1.00 0.69 H new ATOM 0 HA SER A 8 -13.280 -13.695 -0.861 1.00 0.75 H new ATOM 0 HB2 SER A 8 -16.055 -13.879 -2.095 1.00 0.89 H new ATOM 0 HB3 SER A 8 -15.236 -15.086 -1.125 1.00 0.89 H new ATOM 0 HG SER A 8 -16.114 -12.500 -0.230 1.00 1.49 H new ATOM 107 N ASN A 9 -14.037 -13.076 -3.994 1.00 0.73 N ATOM 108 CA ASN A 9 -13.745 -13.442 -5.377 1.00 0.82 C ATOM 109 C ASN A 9 -12.438 -12.819 -5.860 1.00 0.77 C ATOM 110 O ASN A 9 -11.501 -13.526 -6.229 1.00 0.86 O ATOM 111 CB ASN A 9 -14.886 -13.002 -6.297 1.00 0.94 C ATOM 112 CG ASN A 9 -16.204 -13.688 -5.989 1.00 1.48 C ATOM 113 OD1 ASN A 9 -16.497 -14.766 -6.697 1.00 2.27 O flip ATOM 114 ND2 ASN A 9 -16.968 -13.239 -5.133 1.00 2.04 N flip ATOM 0 H ASN A 9 -14.625 -12.249 -3.890 1.00 0.73 H new ATOM 0 HA ASN A 9 -13.643 -14.527 -5.411 1.00 0.82 H new ATOM 0 HB2 ASN A 9 -15.017 -11.923 -6.211 1.00 0.94 H new ATOM 0 HB3 ASN A 9 -14.610 -13.208 -7.331 1.00 0.94 H new ATOM 0 HD21 ASN A 9 -16.709 -12.405 -4.606 1.00 2.04 H new ATOM 0 HD22 ASN A 9 -17.859 -13.701 -4.952 1.00 2.04 H new ATOM 121 N LYS A 10 -12.377 -11.491 -5.836 1.00 0.72 N ATOM 122 CA LYS A 10 -11.242 -10.761 -6.394 1.00 0.75 C ATOM 123 C LYS A 10 -9.991 -10.967 -5.543 1.00 0.70 C ATOM 124 O LYS A 10 -8.871 -10.986 -6.060 1.00 0.76 O ATOM 125 CB LYS A 10 -11.572 -9.267 -6.495 1.00 0.83 C ATOM 126 CG LYS A 10 -10.516 -8.451 -7.224 1.00 0.99 C ATOM 127 CD LYS A 10 -10.820 -6.961 -7.174 1.00 1.03 C ATOM 128 CE LYS A 10 -9.854 -6.163 -8.034 1.00 1.11 C ATOM 129 NZ LYS A 10 -9.972 -6.510 -9.475 1.00 1.56 N ATOM 0 H LYS A 10 -13.102 -10.896 -5.435 1.00 0.72 H new ATOM 0 HA LYS A 10 -11.044 -11.149 -7.393 1.00 0.75 H new ATOM 0 HB2 LYS A 10 -12.526 -9.150 -7.008 1.00 0.83 H new ATOM 0 HB3 LYS A 10 -11.699 -8.864 -5.490 1.00 0.83 H new ATOM 0 HG2 LYS A 10 -9.540 -8.638 -6.777 1.00 0.99 H new ATOM 0 HG3 LYS A 10 -10.459 -8.776 -8.263 1.00 0.99 H new ATOM 0 HD2 LYS A 10 -11.841 -6.786 -7.514 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -10.763 -6.612 -6.143 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -10.045 -5.098 -7.901 1.00 1.11 H new ATOM 0 HE3 LYS A 10 -8.833 -6.348 -7.699 1.00 1.11 H new ATOM 0 HZ1 LYS A 10 -9.525 -5.767 -10.049 1.00 1.56 H new ATOM 0 HZ2 LYS A 10 -9.497 -7.418 -9.653 1.00 1.56 H new ATOM 0 HZ3 LYS A 10 -10.977 -6.588 -9.732 1.00 1.56 H new ATOM 143 N SER A 11 -10.197 -11.135 -4.244 1.00 0.65 N ATOM 144 CA SER A 11 -9.101 -11.298 -3.301 1.00 0.64 C ATOM 145 C SER A 11 -8.201 -12.470 -3.681 1.00 0.66 C ATOM 146 O SER A 11 -6.980 -12.333 -3.704 1.00 0.67 O ATOM 147 CB SER A 11 -9.662 -11.495 -1.894 1.00 0.67 C ATOM 148 OG SER A 11 -10.696 -12.463 -1.896 1.00 1.52 O ATOM 0 H SER A 11 -11.123 -11.162 -3.817 1.00 0.65 H new ATOM 0 HA SER A 11 -8.491 -10.395 -3.329 1.00 0.64 H new ATOM 0 HB2 SER A 11 -8.865 -11.809 -1.220 1.00 0.67 H new ATOM 0 HB3 SER A 11 -10.045 -10.548 -1.514 1.00 0.67 H new ATOM 0 HG SER A 11 -11.195 -12.411 -1.054 1.00 1.52 H new ATOM 154 N GLN A 12 -8.814 -13.601 -4.014 1.00 0.72 N ATOM 155 CA GLN A 12 -8.077 -14.821 -4.331 1.00 0.81 C ATOM 156 C GLN A 12 -7.115 -14.609 -5.497 1.00 0.79 C ATOM 157 O GLN A 12 -6.077 -15.263 -5.582 1.00 0.85 O ATOM 158 CB GLN A 12 -9.043 -15.955 -4.674 1.00 0.95 C ATOM 159 CG GLN A 12 -10.026 -16.294 -3.562 1.00 1.19 C ATOM 160 CD GLN A 12 -9.346 -16.767 -2.289 1.00 1.74 C ATOM 161 OE1 GLN A 12 -9.036 -15.973 -1.402 1.00 2.34 O ATOM 162 NE2 GLN A 12 -9.112 -18.064 -2.192 1.00 2.40 N ATOM 0 H GLN A 12 -9.828 -13.699 -4.072 1.00 0.72 H new ATOM 0 HA GLN A 12 -7.497 -15.087 -3.448 1.00 0.81 H new ATOM 0 HB2 GLN A 12 -9.603 -15.682 -5.568 1.00 0.95 H new ATOM 0 HB3 GLN A 12 -8.466 -16.847 -4.919 1.00 0.95 H new ATOM 0 HG2 GLN A 12 -10.630 -15.415 -3.339 1.00 1.19 H new ATOM 0 HG3 GLN A 12 -10.708 -17.069 -3.912 1.00 1.19 H new ATOM 0 HE21 GLN A 12 -9.385 -18.690 -2.950 1.00 2.40 H new ATOM 0 HE22 GLN A 12 -8.659 -18.440 -1.359 1.00 2.40 H new ATOM 171 N ASN A 13 -7.465 -13.697 -6.393 1.00 0.77 N ATOM 172 CA ASN A 13 -6.633 -13.421 -7.559 1.00 0.81 C ATOM 173 C ASN A 13 -5.545 -12.412 -7.215 1.00 0.73 C ATOM 174 O ASN A 13 -4.406 -12.534 -7.670 1.00 0.76 O ATOM 175 CB ASN A 13 -7.480 -12.906 -8.728 1.00 0.95 C ATOM 176 CG ASN A 13 -8.305 -13.997 -9.395 1.00 1.41 C ATOM 177 OD1 ASN A 13 -8.754 -14.973 -8.623 1.00 2.14 O flip ATOM 178 ND2 ASN A 13 -8.547 -13.950 -10.602 1.00 1.63 N flip ATOM 0 H ASN A 13 -8.316 -13.137 -6.337 1.00 0.77 H new ATOM 0 HA ASN A 13 -6.161 -14.356 -7.862 1.00 0.81 H new ATOM 0 HB2 ASN A 13 -8.148 -12.123 -8.368 1.00 0.95 H new ATOM 0 HB3 ASN A 13 -6.825 -12.450 -9.470 1.00 0.95 H new ATOM 0 HD21 ASN A 13 -8.183 -13.181 -11.165 1.00 1.63 H new ATOM 0 HD22 ASN A 13 -9.111 -14.680 -11.038 1.00 1.63 H new ATOM 185 N ALA A 14 -5.902 -11.431 -6.394 1.00 0.69 N ATOM 186 CA ALA A 14 -4.972 -10.380 -5.990 1.00 0.66 C ATOM 187 C ALA A 14 -3.816 -10.954 -5.178 1.00 0.59 C ATOM 188 O ALA A 14 -2.666 -10.543 -5.343 1.00 0.61 O ATOM 189 CB ALA A 14 -5.701 -9.309 -5.193 1.00 0.68 C ATOM 0 H ALA A 14 -6.835 -11.341 -5.992 1.00 0.69 H new ATOM 0 HA ALA A 14 -4.558 -9.927 -6.891 1.00 0.66 H new ATOM 0 HB1 ALA A 14 -4.996 -8.532 -4.898 1.00 0.68 H new ATOM 0 HB2 ALA A 14 -6.488 -8.871 -5.807 1.00 0.68 H new ATOM 0 HB3 ALA A 14 -6.142 -9.756 -4.302 1.00 0.68 H new ATOM 195 N ILE A 15 -4.137 -11.907 -4.303 1.00 0.59 N ATOM 196 CA ILE A 15 -3.133 -12.590 -3.483 1.00 0.60 C ATOM 197 C ILE A 15 -1.971 -13.097 -4.337 1.00 0.59 C ATOM 198 O ILE A 15 -0.804 -12.867 -4.017 1.00 0.59 O ATOM 199 CB ILE A 15 -3.749 -13.793 -2.733 1.00 0.72 C ATOM 200 CG1 ILE A 15 -4.904 -13.333 -1.844 1.00 0.87 C ATOM 201 CG2 ILE A 15 -2.691 -14.507 -1.902 1.00 0.77 C ATOM 202 CD1 ILE A 15 -5.696 -14.472 -1.236 1.00 1.80 C ATOM 0 H ILE A 15 -5.092 -12.226 -4.142 1.00 0.59 H new ATOM 0 HA ILE A 15 -2.765 -11.858 -2.764 1.00 0.60 H new ATOM 0 HB ILE A 15 -4.137 -14.495 -3.471 1.00 0.72 H new ATOM 0 HG12 ILE A 15 -4.508 -12.709 -1.043 1.00 0.87 H new ATOM 0 HG13 ILE A 15 -5.576 -12.708 -2.432 1.00 0.87 H new ATOM 0 HG21 ILE A 15 -3.145 -15.351 -1.382 1.00 0.77 H new ATOM 0 HG22 ILE A 15 -1.897 -14.868 -2.556 1.00 0.77 H new ATOM 0 HG23 ILE A 15 -2.272 -13.814 -1.172 1.00 0.77 H new ATOM 0 HD11 ILE A 15 -6.498 -14.068 -0.618 1.00 1.80 H new ATOM 0 HD12 ILE A 15 -6.123 -15.084 -2.031 1.00 1.80 H new ATOM 0 HD13 ILE A 15 -5.038 -15.085 -0.620 1.00 1.80 H new ATOM 214 N SER A 16 -2.302 -13.775 -5.432 1.00 0.64 N ATOM 215 CA SER A 16 -1.297 -14.356 -6.312 1.00 0.70 C ATOM 216 C SER A 16 -0.316 -13.304 -6.828 1.00 0.69 C ATOM 217 O SER A 16 0.890 -13.549 -6.875 1.00 0.79 O ATOM 218 CB SER A 16 -1.975 -15.056 -7.488 1.00 0.81 C ATOM 219 OG SER A 16 -2.853 -16.069 -7.030 1.00 1.28 O ATOM 0 H SER A 16 -3.264 -13.935 -5.731 1.00 0.64 H new ATOM 0 HA SER A 16 -0.729 -15.082 -5.731 1.00 0.70 H new ATOM 0 HB2 SER A 16 -2.529 -14.328 -8.080 1.00 0.81 H new ATOM 0 HB3 SER A 16 -1.220 -15.491 -8.143 1.00 0.81 H new ATOM 0 HG SER A 16 -3.279 -16.504 -7.798 1.00 1.28 H new ATOM 225 N GLU A 17 -0.827 -12.135 -7.196 1.00 0.68 N ATOM 226 CA GLU A 17 0.009 -11.083 -7.768 1.00 0.75 C ATOM 227 C GLU A 17 1.013 -10.553 -6.748 1.00 0.69 C ATOM 228 O GLU A 17 2.213 -10.491 -7.021 1.00 0.75 O ATOM 229 CB GLU A 17 -0.854 -9.934 -8.296 1.00 0.88 C ATOM 230 CG GLU A 17 -1.771 -10.335 -9.441 1.00 1.30 C ATOM 231 CD GLU A 17 -2.427 -9.142 -10.102 1.00 1.49 C ATOM 232 OE1 GLU A 17 -1.717 -8.385 -10.802 1.00 1.70 O ATOM 233 OE2 GLU A 17 -3.651 -8.968 -9.951 1.00 2.07 O ATOM 0 H GLU A 17 -1.814 -11.891 -7.109 1.00 0.68 H new ATOM 0 HA GLU A 17 0.564 -11.521 -8.598 1.00 0.75 H new ATOM 0 HB2 GLU A 17 -1.458 -9.540 -7.479 1.00 0.88 H new ATOM 0 HB3 GLU A 17 -0.203 -9.126 -8.629 1.00 0.88 H new ATOM 0 HG2 GLU A 17 -1.198 -10.889 -10.185 1.00 1.30 H new ATOM 0 HG3 GLU A 17 -2.542 -11.008 -9.066 1.00 1.30 H new ATOM 240 N VAL A 18 0.526 -10.198 -5.569 1.00 0.64 N ATOM 241 CA VAL A 18 1.364 -9.560 -4.561 1.00 0.69 C ATOM 242 C VAL A 18 2.348 -10.552 -3.940 1.00 0.67 C ATOM 243 O VAL A 18 3.531 -10.239 -3.772 1.00 0.76 O ATOM 244 CB VAL A 18 0.517 -8.900 -3.459 1.00 0.75 C ATOM 245 CG1 VAL A 18 1.400 -8.089 -2.522 1.00 1.59 C ATOM 246 CG2 VAL A 18 -0.564 -8.027 -4.079 1.00 1.43 C ATOM 0 H VAL A 18 -0.443 -10.340 -5.285 1.00 0.64 H new ATOM 0 HA VAL A 18 1.934 -8.783 -5.070 1.00 0.69 H new ATOM 0 HB VAL A 18 0.032 -9.681 -2.873 1.00 0.75 H new ATOM 0 HG11 VAL A 18 0.784 -7.629 -1.749 1.00 1.59 H new ATOM 0 HG12 VAL A 18 2.136 -8.745 -2.057 1.00 1.59 H new ATOM 0 HG13 VAL A 18 1.913 -7.311 -3.088 1.00 1.59 H new ATOM 0 HG21 VAL A 18 -1.157 -7.566 -3.289 1.00 1.43 H new ATOM 0 HG22 VAL A 18 -0.100 -7.249 -4.686 1.00 1.43 H new ATOM 0 HG23 VAL A 18 -1.211 -8.640 -4.707 1.00 1.43 H new ATOM 256 N MET A 19 1.873 -11.754 -3.631 1.00 0.65 N ATOM 257 CA MET A 19 2.740 -12.802 -3.093 1.00 0.75 C ATOM 258 C MET A 19 3.860 -13.149 -4.073 1.00 0.74 C ATOM 259 O MET A 19 4.923 -13.629 -3.676 1.00 0.78 O ATOM 260 CB MET A 19 1.935 -14.056 -2.749 1.00 0.89 C ATOM 261 CG MET A 19 1.249 -13.993 -1.393 1.00 1.25 C ATOM 262 SD MET A 19 2.420 -14.005 -0.018 1.00 2.00 S ATOM 263 CE MET A 19 3.266 -15.562 -0.285 1.00 2.13 C ATOM 0 H MET A 19 0.897 -12.028 -3.742 1.00 0.65 H new ATOM 0 HA MET A 19 3.190 -12.416 -2.178 1.00 0.75 H new ATOM 0 HB2 MET A 19 1.181 -14.215 -3.520 1.00 0.89 H new ATOM 0 HB3 MET A 19 2.599 -14.920 -2.770 1.00 0.89 H new ATOM 0 HG2 MET A 19 0.641 -13.090 -1.339 1.00 1.25 H new ATOM 0 HG3 MET A 19 0.570 -14.840 -1.294 1.00 1.25 H new ATOM 0 HE1 MET A 19 3.702 -15.905 0.653 1.00 2.13 H new ATOM 0 HE2 MET A 19 2.555 -16.305 -0.648 1.00 2.13 H new ATOM 0 HE3 MET A 19 4.056 -15.425 -1.023 1.00 2.13 H new ATOM 273 N SER A 20 3.623 -12.911 -5.356 1.00 0.75 N ATOM 274 CA SER A 20 4.654 -13.114 -6.362 1.00 0.82 C ATOM 275 C SER A 20 5.609 -11.925 -6.389 1.00 0.82 C ATOM 276 O SER A 20 6.803 -12.082 -6.636 1.00 0.90 O ATOM 277 CB SER A 20 4.023 -13.328 -7.737 1.00 0.91 C ATOM 278 OG SER A 20 3.188 -14.472 -7.728 1.00 1.63 O ATOM 0 H SER A 20 2.731 -12.579 -5.722 1.00 0.75 H new ATOM 0 HA SER A 20 5.222 -14.007 -6.103 1.00 0.82 H new ATOM 0 HB2 SER A 20 3.442 -12.449 -8.018 1.00 0.91 H new ATOM 0 HB3 SER A 20 4.804 -13.447 -8.488 1.00 0.91 H new ATOM 0 HG SER A 20 2.375 -14.280 -7.215 1.00 1.63 H new ATOM 284 N ALA A 21 5.078 -10.744 -6.101 1.00 0.78 N ATOM 285 CA ALA A 21 5.876 -9.527 -6.081 1.00 0.85 C ATOM 286 C ALA A 21 6.901 -9.570 -4.954 1.00 0.82 C ATOM 287 O ALA A 21 8.091 -9.345 -5.181 1.00 0.89 O ATOM 288 CB ALA A 21 4.977 -8.307 -5.940 1.00 0.93 C ATOM 0 H ALA A 21 4.093 -10.604 -5.877 1.00 0.78 H new ATOM 0 HA ALA A 21 6.414 -9.454 -7.026 1.00 0.85 H new ATOM 0 HB1 ALA A 21 5.588 -7.404 -5.927 1.00 0.93 H new ATOM 0 HB2 ALA A 21 4.286 -8.265 -6.782 1.00 0.93 H new ATOM 0 HB3 ALA A 21 4.412 -8.377 -5.010 1.00 0.93 H new ATOM 294 N THR A 22 6.441 -9.883 -3.747 1.00 0.78 N ATOM 295 CA THR A 22 7.327 -9.958 -2.595 1.00 0.83 C ATOM 296 C THR A 22 8.337 -11.094 -2.753 1.00 0.87 C ATOM 297 O THR A 22 9.446 -11.023 -2.225 1.00 0.94 O ATOM 298 CB THR A 22 6.540 -10.126 -1.271 1.00 0.89 C ATOM 299 OG1 THR A 22 7.448 -10.177 -0.162 1.00 1.42 O ATOM 300 CG2 THR A 22 5.679 -11.383 -1.283 1.00 1.93 C ATOM 0 H THR A 22 5.463 -10.088 -3.543 1.00 0.78 H new ATOM 0 HA THR A 22 7.866 -9.012 -2.547 1.00 0.83 H new ATOM 0 HB THR A 22 5.880 -9.264 -1.169 1.00 0.89 H new ATOM 0 HG1 THR A 22 6.942 -10.282 0.671 1.00 1.42 H new ATOM 0 HG21 THR A 22 5.143 -11.466 -0.338 1.00 1.93 H new ATOM 0 HG22 THR A 22 4.963 -11.326 -2.103 1.00 1.93 H new ATOM 0 HG23 THR A 22 6.315 -12.258 -1.417 1.00 1.93 H new ATOM 308 N SER A 23 7.961 -12.127 -3.498 1.00 0.89 N ATOM 309 CA SER A 23 8.855 -13.244 -3.754 1.00 0.99 C ATOM 310 C SER A 23 9.940 -12.838 -4.752 1.00 1.01 C ATOM 311 O SER A 23 11.122 -13.125 -4.552 1.00 1.11 O ATOM 312 CB SER A 23 8.062 -14.445 -4.282 1.00 1.07 C ATOM 313 OG SER A 23 8.899 -15.567 -4.501 1.00 1.55 O ATOM 0 H SER A 23 7.043 -12.212 -3.934 1.00 0.89 H new ATOM 0 HA SER A 23 9.337 -13.529 -2.819 1.00 0.99 H new ATOM 0 HB2 SER A 23 7.280 -14.707 -3.569 1.00 1.07 H new ATOM 0 HB3 SER A 23 7.566 -14.173 -5.214 1.00 1.07 H new ATOM 0 HG SER A 23 8.362 -16.315 -4.836 1.00 1.55 H new ATOM 319 N ALA A 24 9.533 -12.147 -5.812 1.00 0.96 N ATOM 320 CA ALA A 24 10.453 -11.726 -6.861 1.00 1.03 C ATOM 321 C ALA A 24 11.484 -10.735 -6.332 1.00 1.01 C ATOM 322 O ALA A 24 12.685 -10.912 -6.534 1.00 1.10 O ATOM 323 CB ALA A 24 9.686 -11.117 -8.021 1.00 1.05 C ATOM 0 H ALA A 24 8.565 -11.865 -5.967 1.00 0.96 H new ATOM 0 HA ALA A 24 10.987 -12.609 -7.212 1.00 1.03 H new ATOM 0 HB1 ALA A 24 10.386 -10.807 -8.797 1.00 1.05 H new ATOM 0 HB2 ALA A 24 8.996 -11.856 -8.429 1.00 1.05 H new ATOM 0 HB3 ALA A 24 9.125 -10.250 -7.671 1.00 1.05 H new ATOM 329 N ILE A 25 11.015 -9.699 -5.643 1.00 0.93 N ATOM 330 CA ILE A 25 11.908 -8.665 -5.132 1.00 0.93 C ATOM 331 C ILE A 25 12.862 -9.244 -4.086 1.00 0.97 C ATOM 332 O ILE A 25 14.018 -8.837 -3.994 1.00 1.02 O ATOM 333 CB ILE A 25 11.126 -7.464 -4.539 1.00 0.89 C ATOM 334 CG1 ILE A 25 12.092 -6.343 -4.138 1.00 1.23 C ATOM 335 CG2 ILE A 25 10.280 -7.893 -3.347 1.00 1.11 C ATOM 336 CD1 ILE A 25 11.402 -5.090 -3.639 1.00 1.56 C ATOM 0 H ILE A 25 10.029 -9.554 -5.427 1.00 0.93 H new ATOM 0 HA ILE A 25 12.489 -8.296 -5.977 1.00 0.93 H new ATOM 0 HB ILE A 25 10.453 -7.086 -5.309 1.00 0.89 H new ATOM 0 HG12 ILE A 25 12.760 -6.713 -3.360 1.00 1.23 H new ATOM 0 HG13 ILE A 25 12.713 -6.087 -4.996 1.00 1.23 H new ATOM 0 HG21 ILE A 25 9.743 -7.030 -2.952 1.00 1.11 H new ATOM 0 HG22 ILE A 25 9.564 -8.652 -3.663 1.00 1.11 H new ATOM 0 HG23 ILE A 25 10.926 -8.304 -2.571 1.00 1.11 H new ATOM 0 HD11 ILE A 25 12.151 -4.343 -3.375 1.00 1.56 H new ATOM 0 HD12 ILE A 25 10.755 -4.694 -4.422 1.00 1.56 H new ATOM 0 HD13 ILE A 25 10.803 -5.330 -2.761 1.00 1.56 H new ATOM 348 N ASN A 26 12.384 -10.221 -3.323 1.00 0.98 N ATOM 349 CA ASN A 26 13.215 -10.866 -2.319 1.00 1.08 C ATOM 350 C ASN A 26 14.296 -11.704 -2.981 1.00 1.12 C ATOM 351 O ASN A 26 15.446 -11.687 -2.559 1.00 1.20 O ATOM 352 CB ASN A 26 12.372 -11.752 -1.406 1.00 1.15 C ATOM 353 CG ASN A 26 13.197 -12.403 -0.312 1.00 1.48 C ATOM 354 OD1 ASN A 26 14.139 -11.808 0.214 1.00 1.96 O ATOM 355 ND2 ASN A 26 12.862 -13.638 0.019 1.00 2.02 N ATOM 0 H ASN A 26 11.431 -10.580 -3.381 1.00 0.98 H new ATOM 0 HA ASN A 26 13.683 -10.085 -1.720 1.00 1.08 H new ATOM 0 HB2 ASN A 26 11.580 -11.155 -0.954 1.00 1.15 H new ATOM 0 HB3 ASN A 26 11.887 -12.526 -2.001 1.00 1.15 H new ATOM 0 HD21 ASN A 26 13.391 -14.135 0.735 1.00 2.02 H new ATOM 0 HD22 ASN A 26 12.074 -14.094 -0.442 1.00 2.02 H new ATOM 362 N GLY A 27 13.924 -12.413 -4.040 1.00 1.12 N ATOM 363 CA GLY A 27 14.856 -13.296 -4.718 1.00 1.20 C ATOM 364 C GLY A 27 16.012 -12.558 -5.369 1.00 1.23 C ATOM 365 O GLY A 27 17.053 -13.151 -5.652 1.00 1.36 O ATOM 0 H GLY A 27 12.988 -12.392 -4.444 1.00 1.12 H new ATOM 0 HA2 GLY A 27 15.251 -14.017 -4.002 1.00 1.20 H new ATOM 0 HA3 GLY A 27 14.321 -13.864 -5.479 1.00 1.20 H new ATOM 369 N LEU A 28 15.828 -11.267 -5.612 1.00 1.16 N ATOM 370 CA LEU A 28 16.864 -10.449 -6.232 1.00 1.22 C ATOM 371 C LEU A 28 17.791 -9.837 -5.182 1.00 1.28 C ATOM 372 O LEU A 28 18.936 -9.491 -5.477 1.00 1.42 O ATOM 373 CB LEU A 28 16.229 -9.335 -7.071 1.00 1.18 C ATOM 374 CG LEU A 28 15.255 -9.809 -8.154 1.00 1.39 C ATOM 375 CD1 LEU A 28 14.696 -8.624 -8.923 1.00 1.69 C ATOM 376 CD2 LEU A 28 15.935 -10.786 -9.100 1.00 1.81 C ATOM 0 H LEU A 28 14.970 -10.762 -5.389 1.00 1.16 H new ATOM 0 HA LEU A 28 17.457 -11.097 -6.878 1.00 1.22 H new ATOM 0 HB2 LEU A 28 15.701 -8.655 -6.403 1.00 1.18 H new ATOM 0 HB3 LEU A 28 17.025 -8.761 -7.546 1.00 1.18 H new ATOM 0 HG LEU A 28 14.428 -10.326 -7.667 1.00 1.39 H new ATOM 0 HD11 LEU A 28 14.006 -8.980 -9.688 1.00 1.69 H new ATOM 0 HD12 LEU A 28 14.167 -7.962 -8.237 1.00 1.69 H new ATOM 0 HD13 LEU A 28 15.513 -8.079 -9.396 1.00 1.69 H new ATOM 0 HD21 LEU A 28 15.225 -11.110 -9.861 1.00 1.81 H new ATOM 0 HD22 LEU A 28 16.783 -10.298 -9.580 1.00 1.81 H new ATOM 0 HD23 LEU A 28 16.285 -11.652 -8.539 1.00 1.81 H new ATOM 388 N TYR A 29 17.291 -9.701 -3.960 1.00 1.22 N ATOM 389 CA TYR A 29 18.053 -9.060 -2.888 1.00 1.31 C ATOM 390 C TYR A 29 18.617 -10.084 -1.909 1.00 1.58 C ATOM 391 O TYR A 29 19.726 -9.918 -1.403 1.00 2.30 O ATOM 392 CB TYR A 29 17.172 -8.065 -2.129 1.00 1.13 C ATOM 393 CG TYR A 29 16.905 -6.771 -2.869 1.00 0.94 C ATOM 394 CD1 TYR A 29 16.222 -6.757 -4.078 1.00 0.91 C ATOM 395 CD2 TYR A 29 17.330 -5.558 -2.344 1.00 0.90 C ATOM 396 CE1 TYR A 29 15.969 -5.573 -4.743 1.00 0.87 C ATOM 397 CE2 TYR A 29 17.083 -4.369 -3.002 1.00 0.84 C ATOM 398 CZ TYR A 29 16.400 -4.381 -4.204 1.00 0.85 C ATOM 399 OH TYR A 29 16.143 -3.204 -4.871 1.00 0.96 O ATOM 0 H TYR A 29 16.364 -10.024 -3.684 1.00 1.22 H new ATOM 0 HA TYR A 29 18.886 -8.533 -3.353 1.00 1.31 H new ATOM 0 HB2 TYR A 29 16.219 -8.543 -1.902 1.00 1.13 H new ATOM 0 HB3 TYR A 29 17.647 -7.832 -1.176 1.00 1.13 H new ATOM 0 HD1 TYR A 29 15.882 -7.689 -4.506 1.00 0.91 H new ATOM 0 HD2 TYR A 29 17.863 -5.544 -1.405 1.00 0.90 H new ATOM 0 HE1 TYR A 29 15.435 -5.582 -5.682 1.00 0.87 H new ATOM 0 HE2 TYR A 29 17.422 -3.435 -2.580 1.00 0.84 H new ATOM 0 HH TYR A 29 15.311 -3.292 -5.381 1.00 0.96 H new ATOM 409 N ILE A 30 17.843 -11.135 -1.659 1.00 1.25 N ATOM 410 CA ILE A 30 18.174 -12.155 -0.664 1.00 1.45 C ATOM 411 C ILE A 30 18.094 -11.563 0.745 1.00 1.45 C ATOM 412 O ILE A 30 19.096 -11.453 1.459 1.00 1.99 O ATOM 413 CB ILE A 30 19.562 -12.805 -0.905 1.00 1.67 C ATOM 414 CG1 ILE A 30 19.685 -13.299 -2.353 1.00 1.88 C ATOM 415 CG2 ILE A 30 19.789 -13.965 0.061 1.00 1.89 C ATOM 416 CD1 ILE A 30 18.664 -14.353 -2.735 1.00 2.50 C ATOM 0 H ILE A 30 16.962 -11.306 -2.143 1.00 1.25 H new ATOM 0 HA ILE A 30 17.437 -12.951 -0.766 1.00 1.45 H new ATOM 0 HB ILE A 30 20.324 -12.046 -0.727 1.00 1.67 H new ATOM 0 HG12 ILE A 30 19.582 -12.448 -3.026 1.00 1.88 H new ATOM 0 HG13 ILE A 30 20.685 -13.706 -2.503 1.00 1.88 H new ATOM 0 HG21 ILE A 30 20.768 -14.407 -0.125 1.00 1.89 H new ATOM 0 HG22 ILE A 30 19.745 -13.598 1.087 1.00 1.89 H new ATOM 0 HG23 ILE A 30 19.016 -14.719 -0.088 1.00 1.89 H new ATOM 0 HD11 ILE A 30 18.818 -14.649 -3.773 1.00 2.50 H new ATOM 0 HD12 ILE A 30 18.780 -15.223 -2.088 1.00 2.50 H new ATOM 0 HD13 ILE A 30 17.660 -13.946 -2.619 1.00 2.50 H new ATOM 428 N GLY A 31 16.890 -11.140 1.113 1.00 1.43 N ATOM 429 CA GLY A 31 16.627 -10.642 2.448 1.00 1.69 C ATOM 430 C GLY A 31 17.176 -9.251 2.686 1.00 1.52 C ATOM 431 O GLY A 31 16.419 -8.278 2.759 1.00 1.93 O ATOM 0 H GLY A 31 16.078 -11.134 0.496 1.00 1.43 H new ATOM 0 HA2 GLY A 31 15.551 -10.635 2.620 1.00 1.69 H new ATOM 0 HA3 GLY A 31 17.062 -11.327 3.176 1.00 1.69 H new ATOM 435 N GLN A 32 18.497 -9.167 2.789 1.00 1.16 N ATOM 436 CA GLN A 32 19.190 -7.930 3.156 1.00 1.10 C ATOM 437 C GLN A 32 18.650 -7.388 4.471 1.00 1.14 C ATOM 438 O GLN A 32 18.547 -6.172 4.658 1.00 1.93 O ATOM 439 CB GLN A 32 19.028 -6.874 2.066 1.00 1.09 C ATOM 440 CG GLN A 32 19.621 -7.278 0.732 1.00 1.38 C ATOM 441 CD GLN A 32 21.117 -7.531 0.805 1.00 2.15 C ATOM 442 OE1 GLN A 32 21.831 -6.906 1.590 1.00 2.74 O ATOM 443 NE2 GLN A 32 21.596 -8.462 -0.001 1.00 2.84 N ATOM 0 H GLN A 32 19.123 -9.955 2.621 1.00 1.16 H new ATOM 0 HA GLN A 32 20.249 -8.161 3.270 1.00 1.10 H new ATOM 0 HB2 GLN A 32 17.967 -6.662 1.933 1.00 1.09 H new ATOM 0 HB3 GLN A 32 19.498 -5.948 2.397 1.00 1.09 H new ATOM 0 HG2 GLN A 32 19.122 -8.179 0.376 1.00 1.38 H new ATOM 0 HG3 GLN A 32 19.425 -6.494 0.000 1.00 1.38 H new ATOM 0 HE21 GLN A 32 20.971 -8.957 -0.637 1.00 2.84 H new ATOM 0 HE22 GLN A 32 22.591 -8.686 0.013 1.00 2.84 H new ATOM 452 N THR A 33 18.316 -8.304 5.375 1.00 1.15 N ATOM 453 CA THR A 33 17.624 -7.977 6.620 1.00 1.20 C ATOM 454 C THR A 33 16.184 -7.564 6.321 1.00 1.09 C ATOM 455 O THR A 33 15.237 -8.178 6.806 1.00 1.21 O ATOM 456 CB THR A 33 18.340 -6.859 7.414 1.00 1.54 C ATOM 457 OG1 THR A 33 19.706 -7.227 7.654 1.00 1.91 O ATOM 458 CG2 THR A 33 17.646 -6.601 8.743 1.00 1.83 C ATOM 0 H THR A 33 18.518 -9.298 5.265 1.00 1.15 H new ATOM 0 HA THR A 33 17.631 -8.872 7.242 1.00 1.20 H new ATOM 0 HB THR A 33 18.303 -5.946 6.819 1.00 1.54 H new ATOM 0 HG1 THR A 33 20.154 -6.514 8.156 1.00 1.91 H new ATOM 0 HG21 THR A 33 18.170 -5.811 9.280 1.00 1.83 H new ATOM 0 HG22 THR A 33 16.616 -6.295 8.562 1.00 1.83 H new ATOM 0 HG23 THR A 33 17.654 -7.513 9.341 1.00 1.83 H new ATOM 466 N SER A 34 16.040 -6.533 5.504 1.00 1.12 N ATOM 467 CA SER A 34 14.747 -6.085 5.030 1.00 1.35 C ATOM 468 C SER A 34 14.956 -5.047 3.934 1.00 1.13 C ATOM 469 O SER A 34 14.391 -3.955 3.993 1.00 1.18 O ATOM 470 CB SER A 34 13.924 -5.493 6.180 1.00 1.82 C ATOM 471 OG SER A 34 12.567 -5.328 5.806 1.00 2.42 O ATOM 0 H SER A 34 16.823 -5.983 5.151 1.00 1.12 H new ATOM 0 HA SER A 34 14.194 -6.934 4.629 1.00 1.35 H new ATOM 0 HB2 SER A 34 13.987 -6.146 7.050 1.00 1.82 H new ATOM 0 HB3 SER A 34 14.343 -4.530 6.473 1.00 1.82 H new ATOM 0 HG SER A 34 12.515 -4.774 4.999 1.00 2.42 H new ATOM 477 N TYR A 35 15.792 -5.396 2.941 1.00 0.96 N ATOM 478 CA TYR A 35 16.120 -4.488 1.833 1.00 0.78 C ATOM 479 C TYR A 35 16.843 -3.256 2.365 1.00 0.74 C ATOM 480 O TYR A 35 16.821 -2.188 1.754 1.00 0.68 O ATOM 481 CB TYR A 35 14.849 -4.095 1.065 1.00 0.90 C ATOM 482 CG TYR A 35 13.995 -5.285 0.667 1.00 0.97 C ATOM 483 CD1 TYR A 35 14.309 -6.050 -0.448 1.00 1.27 C ATOM 484 CD2 TYR A 35 12.881 -5.648 1.417 1.00 0.97 C ATOM 485 CE1 TYR A 35 13.539 -7.142 -0.805 1.00 1.37 C ATOM 486 CE2 TYR A 35 12.108 -6.736 1.065 1.00 1.12 C ATOM 487 CZ TYR A 35 12.439 -7.479 -0.044 1.00 1.23 C ATOM 488 OH TYR A 35 11.670 -8.565 -0.392 1.00 1.41 O ATOM 0 H TYR A 35 16.253 -6.304 2.885 1.00 0.96 H new ATOM 0 HA TYR A 35 16.784 -5.002 1.138 1.00 0.78 H new ATOM 0 HB2 TYR A 35 14.255 -3.420 1.681 1.00 0.90 H new ATOM 0 HB3 TYR A 35 15.131 -3.543 0.168 1.00 0.90 H new ATOM 0 HD1 TYR A 35 15.169 -5.788 -1.047 1.00 1.27 H new ATOM 0 HD2 TYR A 35 12.617 -5.069 2.289 1.00 0.97 H new ATOM 0 HE1 TYR A 35 13.798 -7.728 -1.675 1.00 1.37 H new ATOM 0 HE2 TYR A 35 11.246 -7.003 1.658 1.00 1.12 H new ATOM 0 HH TYR A 35 10.935 -8.664 0.249 1.00 1.41 H new ATOM 498 N SER A 36 17.505 -3.433 3.504 1.00 0.89 N ATOM 499 CA SER A 36 18.251 -2.364 4.138 1.00 1.03 C ATOM 500 C SER A 36 19.339 -1.857 3.203 1.00 1.25 C ATOM 501 O SER A 36 19.906 -2.623 2.421 1.00 2.03 O ATOM 502 CB SER A 36 18.856 -2.862 5.449 1.00 1.37 C ATOM 503 OG SER A 36 17.852 -3.420 6.286 1.00 2.08 O ATOM 0 H SER A 36 17.536 -4.319 4.008 1.00 0.89 H new ATOM 0 HA SER A 36 17.576 -1.537 4.357 1.00 1.03 H new ATOM 0 HB2 SER A 36 19.621 -3.611 5.241 1.00 1.37 H new ATOM 0 HB3 SER A 36 19.349 -2.038 5.964 1.00 1.37 H new ATOM 0 HG SER A 36 18.259 -3.735 7.120 1.00 2.08 H new ATOM 509 N GLY A 37 19.623 -0.573 3.283 1.00 1.42 N ATOM 510 CA GLY A 37 20.534 0.038 2.345 1.00 1.83 C ATOM 511 C GLY A 37 19.804 0.970 1.409 1.00 1.52 C ATOM 512 O GLY A 37 20.259 2.084 1.155 1.00 1.88 O ATOM 0 H GLY A 37 19.238 0.061 3.983 1.00 1.42 H new ATOM 0 HA2 GLY A 37 21.303 0.589 2.886 1.00 1.83 H new ATOM 0 HA3 GLY A 37 21.042 -0.736 1.770 1.00 1.83 H new ATOM 516 N LEU A 38 18.654 0.521 0.909 1.00 0.95 N ATOM 517 CA LEU A 38 17.833 1.354 0.031 1.00 0.77 C ATOM 518 C LEU A 38 17.309 2.572 0.785 1.00 0.68 C ATOM 519 O LEU A 38 17.167 3.650 0.214 1.00 0.66 O ATOM 520 CB LEU A 38 16.648 0.564 -0.528 1.00 0.68 C ATOM 521 CG LEU A 38 16.997 -0.621 -1.427 1.00 0.87 C ATOM 522 CD1 LEU A 38 15.727 -1.336 -1.864 1.00 1.11 C ATOM 523 CD2 LEU A 38 17.794 -0.162 -2.640 1.00 1.19 C ATOM 0 H LEU A 38 18.272 -0.406 1.094 1.00 0.95 H new ATOM 0 HA LEU A 38 18.464 1.680 -0.796 1.00 0.77 H new ATOM 0 HB2 LEU A 38 16.054 0.197 0.309 1.00 0.68 H new ATOM 0 HB3 LEU A 38 16.014 1.248 -1.092 1.00 0.68 H new ATOM 0 HG LEU A 38 17.615 -1.317 -0.859 1.00 0.87 H new ATOM 0 HD11 LEU A 38 15.986 -2.179 -2.504 1.00 1.11 H new ATOM 0 HD12 LEU A 38 15.193 -1.698 -0.986 1.00 1.11 H new ATOM 0 HD13 LEU A 38 15.091 -0.644 -2.415 1.00 1.11 H new ATOM 0 HD21 LEU A 38 18.032 -1.022 -3.266 1.00 1.19 H new ATOM 0 HD22 LEU A 38 17.204 0.553 -3.214 1.00 1.19 H new ATOM 0 HD23 LEU A 38 18.718 0.313 -2.310 1.00 1.19 H new ATOM 535 N ASP A 39 17.033 2.379 2.071 1.00 0.76 N ATOM 536 CA ASP A 39 16.460 3.422 2.924 1.00 0.85 C ATOM 537 C ASP A 39 17.283 4.702 2.879 1.00 0.82 C ATOM 538 O ASP A 39 16.787 5.753 2.477 1.00 0.90 O ATOM 539 CB ASP A 39 16.370 2.914 4.363 1.00 1.08 C ATOM 540 CG ASP A 39 15.935 3.986 5.339 1.00 1.59 C ATOM 541 OD1 ASP A 39 14.739 4.333 5.351 1.00 2.42 O ATOM 542 OD2 ASP A 39 16.791 4.478 6.101 1.00 1.84 O ATOM 0 H ASP A 39 17.199 1.496 2.554 1.00 0.76 H new ATOM 0 HA ASP A 39 15.464 3.655 2.548 1.00 0.85 H new ATOM 0 HB2 ASP A 39 15.666 2.083 4.406 1.00 1.08 H new ATOM 0 HB3 ASP A 39 17.342 2.525 4.667 1.00 1.08 H new ATOM 547 N SER A 40 18.544 4.592 3.268 1.00 0.82 N ATOM 548 CA SER A 40 19.434 5.740 3.349 1.00 0.94 C ATOM 549 C SER A 40 19.573 6.440 1.994 1.00 0.89 C ATOM 550 O SER A 40 19.709 7.661 1.928 1.00 1.00 O ATOM 551 CB SER A 40 20.803 5.281 3.855 1.00 1.13 C ATOM 552 OG SER A 40 20.666 4.483 5.022 1.00 1.71 O ATOM 0 H SER A 40 18.978 3.708 3.535 1.00 0.82 H new ATOM 0 HA SER A 40 19.007 6.462 4.045 1.00 0.94 H new ATOM 0 HB2 SER A 40 21.311 4.712 3.077 1.00 1.13 H new ATOM 0 HB3 SER A 40 21.425 6.149 4.073 1.00 1.13 H new ATOM 0 HG SER A 40 21.552 4.198 5.329 1.00 1.71 H new ATOM 558 N THR A 41 19.529 5.668 0.917 1.00 0.81 N ATOM 559 CA THR A 41 19.680 6.221 -0.419 1.00 0.85 C ATOM 560 C THR A 41 18.405 6.929 -0.878 1.00 0.79 C ATOM 561 O THR A 41 18.445 8.078 -1.318 1.00 0.95 O ATOM 562 CB THR A 41 20.028 5.114 -1.433 1.00 0.92 C ATOM 563 OG1 THR A 41 21.001 4.224 -0.868 1.00 1.25 O ATOM 564 CG2 THR A 41 20.574 5.711 -2.721 1.00 1.38 C ATOM 0 H THR A 41 19.390 4.658 0.944 1.00 0.81 H new ATOM 0 HA THR A 41 20.492 6.946 -0.374 1.00 0.85 H new ATOM 0 HB THR A 41 19.116 4.563 -1.663 1.00 0.92 H new ATOM 0 HG1 THR A 41 20.556 3.593 -0.264 1.00 1.25 H new ATOM 0 HG21 THR A 41 20.812 4.910 -3.421 1.00 1.38 H new ATOM 0 HG22 THR A 41 19.826 6.369 -3.163 1.00 1.38 H new ATOM 0 HG23 THR A 41 21.476 6.283 -2.503 1.00 1.38 H new ATOM 572 N ILE A 42 17.277 6.243 -0.756 1.00 0.67 N ATOM 573 CA ILE A 42 16.011 6.738 -1.284 1.00 0.67 C ATOM 574 C ILE A 42 15.450 7.879 -0.439 1.00 0.64 C ATOM 575 O ILE A 42 14.857 8.816 -0.973 1.00 0.68 O ATOM 576 CB ILE A 42 14.974 5.597 -1.387 1.00 0.73 C ATOM 577 CG1 ILE A 42 15.475 4.517 -2.352 1.00 0.82 C ATOM 578 CG2 ILE A 42 13.617 6.126 -1.834 1.00 0.78 C ATOM 579 CD1 ILE A 42 15.730 5.019 -3.759 1.00 0.87 C ATOM 0 H ILE A 42 17.212 5.336 -0.293 1.00 0.67 H new ATOM 0 HA ILE A 42 16.211 7.127 -2.282 1.00 0.67 H new ATOM 0 HB ILE A 42 14.850 5.157 -0.398 1.00 0.73 H new ATOM 0 HG12 ILE A 42 16.397 4.090 -1.957 1.00 0.82 H new ATOM 0 HG13 ILE A 42 14.742 3.711 -2.392 1.00 0.82 H new ATOM 0 HG21 ILE A 42 12.908 5.301 -1.898 1.00 0.78 H new ATOM 0 HG22 ILE A 42 13.257 6.859 -1.113 1.00 0.78 H new ATOM 0 HG23 ILE A 42 13.714 6.597 -2.812 1.00 0.78 H new ATOM 0 HD11 ILE A 42 16.082 4.196 -4.381 1.00 0.87 H new ATOM 0 HD12 ILE A 42 14.806 5.419 -4.176 1.00 0.87 H new ATOM 0 HD13 ILE A 42 16.486 5.804 -3.734 1.00 0.87 H new ATOM 591 N LEU A 43 15.661 7.810 0.872 1.00 0.64 N ATOM 592 CA LEU A 43 15.149 8.828 1.784 1.00 0.70 C ATOM 593 C LEU A 43 15.613 10.221 1.368 1.00 0.75 C ATOM 594 O LEU A 43 14.800 11.119 1.155 1.00 0.75 O ATOM 595 CB LEU A 43 15.608 8.537 3.212 1.00 0.85 C ATOM 596 CG LEU A 43 15.023 9.457 4.285 1.00 1.07 C ATOM 597 CD1 LEU A 43 13.521 9.259 4.402 1.00 1.20 C ATOM 598 CD2 LEU A 43 15.698 9.209 5.623 1.00 1.43 C ATOM 0 H LEU A 43 16.183 7.060 1.327 1.00 0.64 H new ATOM 0 HA LEU A 43 14.060 8.800 1.742 1.00 0.70 H new ATOM 0 HB2 LEU A 43 15.347 7.507 3.458 1.00 0.85 H new ATOM 0 HB3 LEU A 43 16.695 8.608 3.249 1.00 0.85 H new ATOM 0 HG LEU A 43 15.210 10.489 3.989 1.00 1.07 H new ATOM 0 HD11 LEU A 43 13.125 9.923 5.171 1.00 1.20 H new ATOM 0 HD12 LEU A 43 13.048 9.488 3.447 1.00 1.20 H new ATOM 0 HD13 LEU A 43 13.310 8.224 4.673 1.00 1.20 H new ATOM 0 HD21 LEU A 43 15.270 9.872 6.375 1.00 1.43 H new ATOM 0 HD22 LEU A 43 15.543 8.172 5.922 1.00 1.43 H new ATOM 0 HD23 LEU A 43 16.767 9.404 5.533 1.00 1.43 H new ATOM 610 N LEU A 44 16.923 10.393 1.235 1.00 0.85 N ATOM 611 CA LEU A 44 17.480 11.689 0.856 1.00 0.98 C ATOM 612 C LEU A 44 17.413 11.913 -0.653 1.00 0.92 C ATOM 613 O LEU A 44 17.652 13.022 -1.135 1.00 1.03 O ATOM 614 CB LEU A 44 18.921 11.842 1.377 1.00 1.19 C ATOM 615 CG LEU A 44 19.891 10.693 1.081 1.00 1.33 C ATOM 616 CD1 LEU A 44 20.338 10.701 -0.374 1.00 1.54 C ATOM 617 CD2 LEU A 44 21.096 10.783 2.003 1.00 1.66 C ATOM 0 H LEU A 44 17.616 9.659 1.382 1.00 0.85 H new ATOM 0 HA LEU A 44 16.867 12.459 1.325 1.00 0.98 H new ATOM 0 HB2 LEU A 44 19.339 12.756 0.955 1.00 1.19 H new ATOM 0 HB3 LEU A 44 18.878 11.980 2.457 1.00 1.19 H new ATOM 0 HG LEU A 44 19.368 9.754 1.261 1.00 1.33 H new ATOM 0 HD11 LEU A 44 21.025 9.873 -0.548 1.00 1.54 H new ATOM 0 HD12 LEU A 44 19.468 10.594 -1.022 1.00 1.54 H new ATOM 0 HD13 LEU A 44 20.841 11.642 -0.595 1.00 1.54 H new ATOM 0 HD21 LEU A 44 21.781 9.963 1.787 1.00 1.66 H new ATOM 0 HD22 LEU A 44 21.606 11.733 1.844 1.00 1.66 H new ATOM 0 HD23 LEU A 44 20.766 10.717 3.040 1.00 1.66 H new ATOM 629 N ASN A 45 17.081 10.857 -1.390 1.00 0.84 N ATOM 630 CA ASN A 45 16.974 10.930 -2.846 1.00 0.91 C ATOM 631 C ASN A 45 15.904 11.928 -3.260 1.00 0.88 C ATOM 632 O ASN A 45 16.082 12.682 -4.219 1.00 1.02 O ATOM 633 CB ASN A 45 16.643 9.551 -3.430 1.00 1.01 C ATOM 634 CG ASN A 45 16.399 9.581 -4.931 1.00 1.17 C ATOM 635 OD1 ASN A 45 17.335 9.487 -5.727 1.00 1.88 O ATOM 636 ND2 ASN A 45 15.140 9.692 -5.329 1.00 1.32 N ATOM 0 H ASN A 45 16.880 9.936 -1.001 1.00 0.84 H new ATOM 0 HA ASN A 45 17.936 11.263 -3.236 1.00 0.91 H new ATOM 0 HB2 ASN A 45 17.463 8.866 -3.215 1.00 1.01 H new ATOM 0 HB3 ASN A 45 15.758 9.155 -2.932 1.00 1.01 H new ATOM 0 HD21 ASN A 45 14.919 9.702 -6.325 1.00 1.32 H new ATOM 0 HD22 ASN A 45 14.392 9.768 -4.640 1.00 1.32 H new ATOM 643 N THR A 46 14.798 11.932 -2.541 1.00 0.79 N ATOM 644 CA THR A 46 13.698 12.811 -2.872 1.00 0.85 C ATOM 645 C THR A 46 13.488 13.857 -1.789 1.00 0.79 C ATOM 646 O THR A 46 12.841 13.597 -0.778 1.00 0.68 O ATOM 647 CB THR A 46 12.408 11.996 -3.088 1.00 0.93 C ATOM 648 OG1 THR A 46 12.641 11.002 -4.095 1.00 1.15 O ATOM 649 CG2 THR A 46 11.250 12.889 -3.515 1.00 1.12 C ATOM 0 H THR A 46 14.639 11.338 -1.727 1.00 0.79 H new ATOM 0 HA THR A 46 13.946 13.329 -3.798 1.00 0.85 H new ATOM 0 HB THR A 46 12.140 11.523 -2.143 1.00 0.93 H new ATOM 0 HG1 THR A 46 11.824 10.480 -4.235 1.00 1.15 H new ATOM 0 HG21 THR A 46 10.356 12.282 -3.659 1.00 1.12 H new ATOM 0 HG22 THR A 46 11.062 13.635 -2.743 1.00 1.12 H new ATOM 0 HG23 THR A 46 11.502 13.390 -4.450 1.00 1.12 H new ATOM 657 N SER A 47 14.080 15.032 -2.009 1.00 0.97 N ATOM 658 CA SER A 47 13.862 16.205 -1.166 1.00 1.13 C ATOM 659 C SER A 47 14.265 15.956 0.293 1.00 1.06 C ATOM 660 O SER A 47 13.911 16.741 1.176 1.00 1.32 O ATOM 661 CB SER A 47 12.388 16.616 -1.249 1.00 1.29 C ATOM 662 OG SER A 47 12.188 17.935 -0.773 1.00 1.87 O ATOM 0 H SER A 47 14.727 15.196 -2.781 1.00 0.97 H new ATOM 0 HA SER A 47 14.497 17.010 -1.535 1.00 1.13 H new ATOM 0 HB2 SER A 47 12.047 16.546 -2.282 1.00 1.29 H new ATOM 0 HB3 SER A 47 11.783 15.922 -0.666 1.00 1.29 H new ATOM 0 HG SER A 47 12.628 18.039 0.096 1.00 1.87 H new ATOM 668 N ALA A 48 15.004 14.864 0.536 1.00 0.92 N ATOM 669 CA ALA A 48 15.364 14.414 1.893 1.00 0.97 C ATOM 670 C ALA A 48 14.129 13.923 2.659 1.00 0.88 C ATOM 671 O ALA A 48 14.208 12.993 3.461 1.00 1.00 O ATOM 672 CB ALA A 48 16.090 15.505 2.672 1.00 1.22 C ATOM 0 H ALA A 48 15.371 14.265 -0.203 1.00 0.92 H new ATOM 0 HA ALA A 48 16.051 13.574 1.785 1.00 0.97 H new ATOM 0 HB1 ALA A 48 16.339 15.137 3.667 1.00 1.22 H new ATOM 0 HB2 ALA A 48 17.005 15.780 2.147 1.00 1.22 H new ATOM 0 HB3 ALA A 48 15.446 16.380 2.760 1.00 1.22 H new ATOM 678 N ILE A 49 12.999 14.566 2.413 1.00 0.78 N ATOM 679 CA ILE A 49 11.718 14.127 2.931 1.00 0.75 C ATOM 680 C ILE A 49 10.851 13.692 1.760 1.00 0.62 C ATOM 681 O ILE A 49 10.332 14.529 1.021 1.00 0.65 O ATOM 682 CB ILE A 49 10.995 15.242 3.716 1.00 0.86 C ATOM 683 CG1 ILE A 49 11.901 15.798 4.819 1.00 1.17 C ATOM 684 CG2 ILE A 49 9.693 14.715 4.308 1.00 0.95 C ATOM 685 CD1 ILE A 49 11.294 16.956 5.579 1.00 1.93 C ATOM 0 H ILE A 49 12.947 15.412 1.845 1.00 0.78 H new ATOM 0 HA ILE A 49 11.891 13.302 3.622 1.00 0.75 H new ATOM 0 HB ILE A 49 10.759 16.053 3.027 1.00 0.86 H new ATOM 0 HG12 ILE A 49 12.137 14.998 5.521 1.00 1.17 H new ATOM 0 HG13 ILE A 49 12.843 16.120 4.375 1.00 1.17 H new ATOM 0 HG21 ILE A 49 9.195 15.513 4.859 1.00 0.95 H new ATOM 0 HG22 ILE A 49 9.043 14.367 3.505 1.00 0.95 H new ATOM 0 HG23 ILE A 49 9.909 13.888 4.984 1.00 0.95 H new ATOM 0 HD11 ILE A 49 11.993 17.296 6.343 1.00 1.93 H new ATOM 0 HD12 ILE A 49 11.084 17.774 4.889 1.00 1.93 H new ATOM 0 HD13 ILE A 49 10.367 16.634 6.053 1.00 1.93 H new ATOM 697 N PRO A 50 10.723 12.380 1.556 1.00 0.57 N ATOM 698 CA PRO A 50 10.024 11.817 0.400 1.00 0.52 C ATOM 699 C PRO A 50 8.549 12.213 0.344 1.00 0.53 C ATOM 700 O PRO A 50 7.709 11.652 1.050 1.00 0.53 O ATOM 701 CB PRO A 50 10.179 10.303 0.583 1.00 0.54 C ATOM 702 CG PRO A 50 11.325 10.148 1.520 1.00 0.66 C ATOM 703 CD PRO A 50 11.259 11.332 2.433 1.00 0.68 C ATOM 0 HA PRO A 50 10.439 12.187 -0.538 1.00 0.52 H new ATOM 0 HB2 PRO A 50 9.271 9.859 0.992 1.00 0.54 H new ATOM 0 HB3 PRO A 50 10.376 9.808 -0.368 1.00 0.54 H new ATOM 0 HG2 PRO A 50 11.250 9.216 2.080 1.00 0.66 H new ATOM 0 HG3 PRO A 50 12.272 10.121 0.981 1.00 0.66 H new ATOM 0 HD2 PRO A 50 10.610 11.148 3.289 1.00 0.68 H new ATOM 0 HD3 PRO A 50 12.240 11.596 2.827 1.00 0.68 H new ATOM 711 N ASP A 51 8.250 13.202 -0.491 1.00 0.59 N ATOM 712 CA ASP A 51 6.874 13.641 -0.717 1.00 0.63 C ATOM 713 C ASP A 51 6.097 12.606 -1.519 1.00 0.52 C ATOM 714 O ASP A 51 4.877 12.684 -1.627 1.00 0.54 O ATOM 715 CB ASP A 51 6.836 14.987 -1.453 1.00 0.84 C ATOM 716 CG ASP A 51 6.853 16.178 -0.515 1.00 1.30 C ATOM 717 OD1 ASP A 51 5.777 16.534 0.015 1.00 1.86 O ATOM 718 OD2 ASP A 51 7.932 16.774 -0.324 1.00 2.04 O ATOM 0 H ASP A 51 8.947 13.719 -1.027 1.00 0.59 H new ATOM 0 HA ASP A 51 6.408 13.759 0.261 1.00 0.63 H new ATOM 0 HB2 ASP A 51 7.691 15.050 -2.127 1.00 0.84 H new ATOM 0 HB3 ASP A 51 5.939 15.031 -2.071 1.00 0.84 H new ATOM 723 N ASN A 52 6.812 11.629 -2.065 1.00 0.47 N ATOM 724 CA ASN A 52 6.207 10.602 -2.909 1.00 0.49 C ATOM 725 C ASN A 52 5.291 9.694 -2.098 1.00 0.43 C ATOM 726 O ASN A 52 4.449 8.996 -2.653 1.00 0.56 O ATOM 727 CB ASN A 52 7.286 9.774 -3.613 1.00 0.59 C ATOM 728 CG ASN A 52 8.295 9.178 -2.649 1.00 1.32 C ATOM 729 OD1 ASN A 52 8.054 7.954 -2.202 1.00 2.22 O flip ATOM 730 ND2 ASN A 52 9.288 9.814 -2.315 1.00 1.84 N flip ATOM 0 H ASN A 52 7.819 11.525 -1.938 1.00 0.47 H new ATOM 0 HA ASN A 52 5.605 11.106 -3.665 1.00 0.49 H new ATOM 0 HB2 ASN A 52 6.811 8.971 -4.176 1.00 0.59 H new ATOM 0 HB3 ASN A 52 7.808 10.404 -4.334 1.00 0.59 H new ATOM 0 HD21 ASN A 52 9.438 10.754 -2.681 1.00 1.84 H new ATOM 0 HD22 ASN A 52 9.964 9.403 -1.671 1.00 1.84 H new ATOM 737 N TYR A 53 5.444 9.732 -0.776 1.00 0.39 N ATOM 738 CA TYR A 53 4.597 8.964 0.139 1.00 0.52 C ATOM 739 C TYR A 53 3.129 9.360 -0.014 1.00 0.56 C ATOM 740 O TYR A 53 2.235 8.713 0.533 1.00 0.83 O ATOM 741 CB TYR A 53 5.052 9.195 1.581 1.00 0.66 C ATOM 742 CG TYR A 53 6.448 8.678 1.879 1.00 0.63 C ATOM 743 CD1 TYR A 53 7.104 7.824 0.998 1.00 0.67 C ATOM 744 CD2 TYR A 53 7.101 9.033 3.051 1.00 0.67 C ATOM 745 CE1 TYR A 53 8.367 7.341 1.277 1.00 0.73 C ATOM 746 CE2 TYR A 53 8.367 8.557 3.336 1.00 0.67 C ATOM 747 CZ TYR A 53 8.995 7.711 2.446 1.00 0.70 C ATOM 748 OH TYR A 53 10.254 7.234 2.724 1.00 0.79 O ATOM 0 H TYR A 53 6.156 10.294 -0.308 1.00 0.39 H new ATOM 0 HA TYR A 53 4.693 7.907 -0.107 1.00 0.52 H new ATOM 0 HB2 TYR A 53 5.018 10.263 1.795 1.00 0.66 H new ATOM 0 HB3 TYR A 53 4.345 8.712 2.256 1.00 0.66 H new ATOM 0 HD1 TYR A 53 6.616 7.534 0.079 1.00 0.67 H new ATOM 0 HD2 TYR A 53 6.612 9.692 3.752 1.00 0.67 H new ATOM 0 HE1 TYR A 53 8.860 6.677 0.583 1.00 0.73 H new ATOM 0 HE2 TYR A 53 8.862 8.846 4.251 1.00 0.67 H new ATOM 0 HH TYR A 53 10.285 6.912 3.649 1.00 0.79 H new ATOM 758 N LYS A 54 2.888 10.413 -0.779 1.00 0.46 N ATOM 759 CA LYS A 54 1.546 10.882 -1.054 1.00 0.49 C ATOM 760 C LYS A 54 1.474 11.505 -2.448 1.00 0.52 C ATOM 761 O LYS A 54 2.439 12.105 -2.913 1.00 0.72 O ATOM 762 CB LYS A 54 1.145 11.912 0.000 1.00 0.61 C ATOM 763 CG LYS A 54 2.189 13.000 0.198 1.00 0.85 C ATOM 764 CD LYS A 54 1.773 14.008 1.251 1.00 1.15 C ATOM 765 CE LYS A 54 2.901 14.987 1.536 1.00 1.15 C ATOM 766 NZ LYS A 54 3.285 15.766 0.328 1.00 1.75 N ATOM 0 H LYS A 54 3.621 10.965 -1.226 1.00 0.46 H new ATOM 0 HA LYS A 54 0.858 10.037 -1.018 1.00 0.49 H new ATOM 0 HB2 LYS A 54 0.200 12.372 -0.291 1.00 0.61 H new ATOM 0 HB3 LYS A 54 0.974 11.404 0.949 1.00 0.61 H new ATOM 0 HG2 LYS A 54 3.136 12.544 0.488 1.00 0.85 H new ATOM 0 HG3 LYS A 54 2.359 13.514 -0.748 1.00 0.85 H new ATOM 0 HD2 LYS A 54 0.891 14.551 0.913 1.00 1.15 H new ATOM 0 HD3 LYS A 54 1.495 13.489 2.168 1.00 1.15 H new ATOM 0 HE2 LYS A 54 2.595 15.672 2.326 1.00 1.15 H new ATOM 0 HE3 LYS A 54 3.769 14.441 1.906 1.00 1.15 H new ATOM 0 HZ1 LYS A 54 4.297 15.628 0.133 1.00 1.75 H new ATOM 0 HZ2 LYS A 54 2.728 15.440 -0.487 1.00 1.75 H new ATOM 0 HZ3 LYS A 54 3.099 16.776 0.493 1.00 1.75 H new ATOM 780 N ASP A 55 0.346 11.343 -3.119 1.00 0.48 N ATOM 781 CA ASP A 55 0.109 12.030 -4.383 1.00 0.51 C ATOM 782 C ASP A 55 -0.793 13.229 -4.135 1.00 0.60 C ATOM 783 O ASP A 55 -1.638 13.196 -3.238 1.00 0.72 O ATOM 784 CB ASP A 55 -0.526 11.091 -5.413 1.00 0.49 C ATOM 785 CG ASP A 55 -0.720 11.740 -6.767 1.00 0.90 C ATOM 786 OD1 ASP A 55 0.253 11.821 -7.547 1.00 1.35 O ATOM 787 OD2 ASP A 55 -1.857 12.155 -7.066 1.00 1.29 O ATOM 0 H ASP A 55 -0.420 10.744 -2.813 1.00 0.48 H new ATOM 0 HA ASP A 55 1.064 12.364 -4.787 1.00 0.51 H new ATOM 0 HB2 ASP A 55 0.102 10.208 -5.527 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -1.491 10.750 -5.039 1.00 0.49 H new ATOM 792 N THR A 56 -0.610 14.284 -4.909 1.00 0.67 N ATOM 793 CA THR A 56 -1.342 15.522 -4.693 1.00 0.78 C ATOM 794 C THR A 56 -2.526 15.646 -5.640 1.00 0.75 C ATOM 795 O THR A 56 -3.345 16.556 -5.506 1.00 0.78 O ATOM 796 CB THR A 56 -0.421 16.739 -4.884 1.00 0.98 C ATOM 797 OG1 THR A 56 0.276 16.624 -6.133 1.00 1.50 O ATOM 798 CG2 THR A 56 0.574 16.848 -3.740 1.00 1.52 C ATOM 0 H THR A 56 0.040 14.309 -5.694 1.00 0.67 H new ATOM 0 HA THR A 56 -1.713 15.497 -3.668 1.00 0.78 H new ATOM 0 HB THR A 56 -1.032 17.642 -4.891 1.00 0.98 H new ATOM 0 HG1 THR A 56 0.861 17.401 -6.254 1.00 1.50 H new ATOM 0 HG21 THR A 56 1.215 17.716 -3.897 1.00 1.52 H new ATOM 0 HG22 THR A 56 0.036 16.960 -2.799 1.00 1.52 H new ATOM 0 HG23 THR A 56 1.186 15.947 -3.703 1.00 1.52 H new ATOM 806 N THR A 57 -2.613 14.740 -6.600 1.00 0.76 N ATOM 807 CA THR A 57 -3.666 14.808 -7.593 1.00 0.79 C ATOM 808 C THR A 57 -4.818 13.876 -7.227 1.00 0.74 C ATOM 809 O THR A 57 -5.952 14.330 -7.074 1.00 1.04 O ATOM 810 CB THR A 57 -3.122 14.437 -8.983 1.00 0.89 C ATOM 811 OG1 THR A 57 -1.878 15.114 -9.209 1.00 1.00 O ATOM 812 CG2 THR A 57 -4.109 14.813 -10.078 1.00 1.05 C ATOM 0 H THR A 57 -1.971 13.955 -6.711 1.00 0.76 H new ATOM 0 HA THR A 57 -4.037 15.833 -7.617 1.00 0.79 H new ATOM 0 HB THR A 57 -2.970 13.358 -9.013 1.00 0.89 H new ATOM 0 HG1 THR A 57 -1.532 14.875 -10.094 1.00 1.00 H new ATOM 0 HG21 THR A 57 -3.697 14.539 -11.049 1.00 1.05 H new ATOM 0 HG22 THR A 57 -5.048 14.283 -9.919 1.00 1.05 H new ATOM 0 HG23 THR A 57 -4.290 15.887 -10.051 1.00 1.05 H new ATOM 820 N ASN A 58 -4.494 12.584 -7.040 1.00 0.65 N ATOM 821 CA ASN A 58 -5.474 11.544 -6.664 1.00 0.70 C ATOM 822 C ASN A 58 -4.963 10.140 -6.990 1.00 0.59 C ATOM 823 O ASN A 58 -5.739 9.185 -6.972 1.00 0.66 O ATOM 824 CB ASN A 58 -6.841 11.724 -7.366 1.00 0.95 C ATOM 825 CG ASN A 58 -6.830 11.427 -8.863 1.00 1.91 C ATOM 826 OD1 ASN A 58 -5.752 11.775 -9.544 1.00 2.73 O flip ATOM 827 ND2 ASN A 58 -7.806 10.909 -9.410 1.00 2.46 N flip ATOM 0 H ASN A 58 -3.544 12.229 -7.145 1.00 0.65 H new ATOM 0 HA ASN A 58 -5.607 11.658 -5.588 1.00 0.70 H new ATOM 0 HB2 ASN A 58 -7.570 11.072 -6.885 1.00 0.95 H new ATOM 0 HB3 ASN A 58 -7.180 12.749 -7.215 1.00 0.95 H new ATOM 0 HD21 ASN A 58 -8.623 10.651 -8.857 1.00 2.46 H new ATOM 0 HD22 ASN A 58 -7.796 10.738 -10.416 1.00 2.46 H new ATOM 834 N LYS A 59 -3.670 9.990 -7.276 1.00 0.52 N ATOM 835 CA LYS A 59 -3.174 8.701 -7.745 1.00 0.51 C ATOM 836 C LYS A 59 -1.785 8.340 -7.210 1.00 0.45 C ATOM 837 O LYS A 59 -0.771 8.622 -7.840 1.00 0.48 O ATOM 838 CB LYS A 59 -3.193 8.625 -9.289 1.00 0.58 C ATOM 839 CG LYS A 59 -3.173 9.965 -10.031 1.00 0.83 C ATOM 840 CD LYS A 59 -1.894 10.763 -9.808 1.00 0.64 C ATOM 841 CE LYS A 59 -0.666 10.080 -10.386 1.00 1.53 C ATOM 842 NZ LYS A 59 0.569 10.865 -10.109 1.00 2.11 N ATOM 0 H LYS A 59 -2.966 10.723 -7.194 1.00 0.52 H new ATOM 0 HA LYS A 59 -3.861 7.959 -7.339 1.00 0.51 H new ATOM 0 HB2 LYS A 59 -2.333 8.040 -9.614 1.00 0.58 H new ATOM 0 HB3 LYS A 59 -4.084 8.077 -9.594 1.00 0.58 H new ATOM 0 HG2 LYS A 59 -3.297 9.782 -11.098 1.00 0.83 H new ATOM 0 HG3 LYS A 59 -4.026 10.563 -9.709 1.00 0.83 H new ATOM 0 HD2 LYS A 59 -2.003 11.749 -10.260 1.00 0.64 H new ATOM 0 HD3 LYS A 59 -1.749 10.917 -8.739 1.00 0.64 H new ATOM 0 HE2 LYS A 59 -0.568 9.081 -9.960 1.00 1.53 H new ATOM 0 HE3 LYS A 59 -0.788 9.957 -11.462 1.00 1.53 H new ATOM 0 HZ1 LYS A 59 1.393 10.366 -10.501 1.00 2.11 H new ATOM 0 HZ2 LYS A 59 0.490 11.803 -10.551 1.00 2.11 H new ATOM 0 HZ3 LYS A 59 0.687 10.975 -9.082 1.00 2.11 H new ATOM 856 N LYS A 60 -1.742 7.720 -6.038 1.00 0.41 N ATOM 857 CA LYS A 60 -0.517 7.072 -5.561 1.00 0.38 C ATOM 858 C LYS A 60 -0.848 5.958 -4.569 1.00 0.38 C ATOM 859 O LYS A 60 -1.493 6.194 -3.545 1.00 0.41 O ATOM 860 CB LYS A 60 0.450 8.089 -4.929 1.00 0.41 C ATOM 861 CG LYS A 60 1.868 7.566 -4.657 1.00 0.45 C ATOM 862 CD LYS A 60 1.923 6.644 -3.458 1.00 1.22 C ATOM 863 CE LYS A 60 1.580 7.392 -2.191 1.00 2.18 C ATOM 864 NZ LYS A 60 1.626 6.510 -1.005 1.00 3.14 N ATOM 0 H LYS A 60 -2.534 7.650 -5.400 1.00 0.41 H new ATOM 0 HA LYS A 60 -0.018 6.632 -6.425 1.00 0.38 H new ATOM 0 HB2 LYS A 60 0.520 8.956 -5.586 1.00 0.41 H new ATOM 0 HB3 LYS A 60 0.022 8.436 -3.989 1.00 0.41 H new ATOM 0 HG2 LYS A 60 2.232 7.035 -5.537 1.00 0.45 H new ATOM 0 HG3 LYS A 60 2.538 8.410 -4.494 1.00 0.45 H new ATOM 0 HD2 LYS A 60 1.227 5.817 -3.597 1.00 1.22 H new ATOM 0 HD3 LYS A 60 2.920 6.211 -3.372 1.00 1.22 H new ATOM 0 HE2 LYS A 60 2.277 8.219 -2.057 1.00 2.18 H new ATOM 0 HE3 LYS A 60 0.584 7.826 -2.283 1.00 2.18 H new ATOM 0 HZ1 LYS A 60 1.892 7.067 -0.168 1.00 3.14 H new ATOM 0 HZ2 LYS A 60 0.690 6.083 -0.853 1.00 3.14 H new ATOM 0 HZ3 LYS A 60 2.328 5.758 -1.158 1.00 3.14 H new ATOM 878 N ILE A 61 -0.379 4.759 -4.869 1.00 0.37 N ATOM 879 CA ILE A 61 -0.474 3.639 -3.948 1.00 0.38 C ATOM 880 C ILE A 61 0.909 3.039 -3.744 1.00 0.38 C ATOM 881 O ILE A 61 1.588 2.686 -4.705 1.00 0.45 O ATOM 882 CB ILE A 61 -1.453 2.541 -4.439 1.00 0.45 C ATOM 883 CG1 ILE A 61 -1.131 2.100 -5.875 1.00 0.49 C ATOM 884 CG2 ILE A 61 -2.888 3.026 -4.334 1.00 0.47 C ATOM 885 CD1 ILE A 61 -2.145 1.138 -6.459 1.00 0.55 C ATOM 0 H ILE A 61 0.076 4.535 -5.754 1.00 0.37 H new ATOM 0 HA ILE A 61 -0.870 4.021 -3.007 1.00 0.38 H new ATOM 0 HB ILE A 61 -1.331 1.671 -3.794 1.00 0.45 H new ATOM 0 HG12 ILE A 61 -1.072 2.983 -6.512 1.00 0.49 H new ATOM 0 HG13 ILE A 61 -0.148 1.630 -5.889 1.00 0.49 H new ATOM 0 HG21 ILE A 61 -3.563 2.244 -4.682 1.00 0.47 H new ATOM 0 HG22 ILE A 61 -3.116 3.266 -3.295 1.00 0.47 H new ATOM 0 HG23 ILE A 61 -3.017 3.917 -4.949 1.00 0.47 H new ATOM 0 HD11 ILE A 61 -1.851 0.872 -7.474 1.00 0.55 H new ATOM 0 HD12 ILE A 61 -2.188 0.238 -5.846 1.00 0.55 H new ATOM 0 HD13 ILE A 61 -3.127 1.611 -6.478 1.00 0.55 H new ATOM 897 N THR A 62 1.356 2.967 -2.502 1.00 0.39 N ATOM 898 CA THR A 62 2.641 2.363 -2.224 1.00 0.45 C ATOM 899 C THR A 62 2.468 0.863 -2.052 1.00 0.50 C ATOM 900 O THR A 62 1.909 0.419 -1.053 1.00 0.62 O ATOM 901 CB THR A 62 3.283 2.960 -0.962 1.00 0.56 C ATOM 902 OG1 THR A 62 3.304 4.396 -1.049 1.00 0.84 O ATOM 903 CG2 THR A 62 4.697 2.441 -0.795 1.00 0.84 C ATOM 0 H THR A 62 0.855 3.314 -1.684 1.00 0.39 H new ATOM 0 HA THR A 62 3.303 2.568 -3.065 1.00 0.45 H new ATOM 0 HB THR A 62 2.690 2.661 -0.098 1.00 0.56 H new ATOM 0 HG1 THR A 62 4.029 4.747 -0.490 1.00 0.84 H new ATOM 0 HG21 THR A 62 5.139 2.872 0.103 1.00 0.84 H new ATOM 0 HG22 THR A 62 4.678 1.355 -0.704 1.00 0.84 H new ATOM 0 HG23 THR A 62 5.293 2.722 -1.664 1.00 0.84 H new ATOM 911 N ASN A 63 2.953 0.112 -3.036 1.00 0.52 N ATOM 912 CA ASN A 63 2.782 -1.339 -3.100 1.00 0.61 C ATOM 913 C ASN A 63 3.253 -1.897 -4.452 1.00 0.76 C ATOM 914 O ASN A 63 4.117 -2.771 -4.490 1.00 1.31 O ATOM 915 CB ASN A 63 1.316 -1.730 -2.872 1.00 1.03 C ATOM 916 CG ASN A 63 1.063 -3.212 -3.071 1.00 1.80 C ATOM 917 OD1 ASN A 63 1.208 -3.984 -2.008 1.00 2.50 O flip ATOM 918 ND2 ASN A 63 0.730 -3.654 -4.169 1.00 2.26 N flip ATOM 0 H ASN A 63 3.481 0.495 -3.820 1.00 0.52 H new ATOM 0 HA ASN A 63 3.395 -1.770 -2.308 1.00 0.61 H new ATOM 0 HB2 ASN A 63 1.023 -1.449 -1.860 1.00 1.03 H new ATOM 0 HB3 ASN A 63 0.684 -1.164 -3.556 1.00 1.03 H new ATOM 0 HD21 ASN A 63 0.630 -3.023 -4.964 1.00 2.26 H new ATOM 0 HD22 ASN A 63 0.554 -4.652 -4.285 1.00 2.26 H new ATOM 925 N PRO A 64 2.711 -1.391 -5.586 1.00 0.64 N ATOM 926 CA PRO A 64 2.926 -1.980 -6.898 1.00 0.97 C ATOM 927 C PRO A 64 4.131 -1.386 -7.630 1.00 1.15 C ATOM 928 O PRO A 64 4.813 -0.499 -7.117 1.00 1.75 O ATOM 929 CB PRO A 64 1.619 -1.641 -7.637 1.00 0.91 C ATOM 930 CG PRO A 64 0.931 -0.582 -6.821 1.00 0.85 C ATOM 931 CD PRO A 64 1.868 -0.202 -5.711 1.00 0.60 C ATOM 0 HA PRO A 64 3.146 -3.046 -6.839 1.00 0.97 H new ATOM 0 HB2 PRO A 64 1.825 -1.281 -8.645 1.00 0.91 H new ATOM 0 HB3 PRO A 64 0.989 -2.525 -7.737 1.00 0.91 H new ATOM 0 HG2 PRO A 64 0.692 0.285 -7.437 1.00 0.85 H new ATOM 0 HG3 PRO A 64 -0.011 -0.956 -6.419 1.00 0.85 H new ATOM 0 HD2 PRO A 64 2.452 0.685 -5.958 1.00 0.60 H new ATOM 0 HD3 PRO A 64 1.334 0.016 -4.786 1.00 0.60 H new ATOM 939 N PHE A 65 4.376 -1.873 -8.843 1.00 1.16 N ATOM 940 CA PHE A 65 5.526 -1.440 -9.630 1.00 1.47 C ATOM 941 C PHE A 65 5.186 -1.409 -11.118 1.00 1.30 C ATOM 942 O PHE A 65 6.062 -1.536 -11.972 1.00 1.80 O ATOM 943 CB PHE A 65 6.718 -2.370 -9.374 1.00 2.09 C ATOM 944 CG PHE A 65 6.391 -3.836 -9.481 1.00 2.12 C ATOM 945 CD1 PHE A 65 6.422 -4.483 -10.706 1.00 2.65 C ATOM 946 CD2 PHE A 65 6.055 -4.567 -8.351 1.00 2.10 C ATOM 947 CE1 PHE A 65 6.125 -5.828 -10.802 1.00 3.23 C ATOM 948 CE2 PHE A 65 5.756 -5.913 -8.443 1.00 2.47 C ATOM 949 CZ PHE A 65 5.791 -6.543 -9.671 1.00 3.09 C ATOM 0 H PHE A 65 3.791 -2.570 -9.304 1.00 1.16 H new ATOM 0 HA PHE A 65 5.793 -0.429 -9.323 1.00 1.47 H new ATOM 0 HB2 PHE A 65 7.509 -2.133 -10.085 1.00 2.09 H new ATOM 0 HB3 PHE A 65 7.114 -2.169 -8.379 1.00 2.09 H new ATOM 0 HD1 PHE A 65 6.681 -3.929 -11.596 1.00 2.65 H new ATOM 0 HD2 PHE A 65 6.027 -4.079 -7.388 1.00 2.10 H new ATOM 0 HE1 PHE A 65 6.154 -6.320 -11.763 1.00 3.23 H new ATOM 0 HE2 PHE A 65 5.495 -6.471 -7.556 1.00 2.47 H new ATOM 0 HZ PHE A 65 5.557 -7.595 -9.746 1.00 3.09 H new ATOM 959 N GLY A 66 3.914 -1.190 -11.421 1.00 0.85 N ATOM 960 CA GLY A 66 3.452 -1.286 -12.795 1.00 0.86 C ATOM 961 C GLY A 66 3.582 0.015 -13.558 1.00 0.86 C ATOM 962 O GLY A 66 3.371 0.063 -14.770 1.00 1.21 O ATOM 0 H GLY A 66 3.193 -0.948 -10.742 1.00 0.85 H new ATOM 0 HA2 GLY A 66 4.021 -2.060 -13.310 1.00 0.86 H new ATOM 0 HA3 GLY A 66 2.408 -1.600 -12.800 1.00 0.86 H new ATOM 966 N GLY A 67 3.927 1.074 -12.849 1.00 0.70 N ATOM 967 CA GLY A 67 4.001 2.382 -13.462 1.00 0.70 C ATOM 968 C GLY A 67 5.190 3.162 -12.965 1.00 0.65 C ATOM 969 O GLY A 67 6.332 2.756 -13.174 1.00 0.67 O ATOM 0 H GLY A 67 4.158 1.052 -11.856 1.00 0.70 H new ATOM 0 HA2 GLY A 67 4.063 2.274 -14.545 1.00 0.70 H new ATOM 0 HA3 GLY A 67 3.087 2.936 -13.249 1.00 0.70 H new ATOM 973 N GLU A 68 4.928 4.268 -12.294 1.00 0.63 N ATOM 974 CA GLU A 68 5.990 5.053 -11.696 1.00 0.64 C ATOM 975 C GLU A 68 6.278 4.526 -10.298 1.00 0.58 C ATOM 976 O GLU A 68 5.546 4.814 -9.356 1.00 0.59 O ATOM 977 CB GLU A 68 5.568 6.519 -11.635 1.00 0.73 C ATOM 978 CG GLU A 68 6.610 7.444 -11.032 1.00 1.36 C ATOM 979 CD GLU A 68 6.210 8.899 -11.132 1.00 1.84 C ATOM 980 OE1 GLU A 68 5.433 9.369 -10.276 1.00 2.78 O ATOM 981 OE2 GLU A 68 6.669 9.578 -12.074 1.00 1.99 O ATOM 0 H GLU A 68 3.990 4.642 -12.150 1.00 0.63 H new ATOM 0 HA GLU A 68 6.895 4.973 -12.299 1.00 0.64 H new ATOM 0 HB2 GLU A 68 5.336 6.861 -12.644 1.00 0.73 H new ATOM 0 HB3 GLU A 68 4.650 6.597 -11.053 1.00 0.73 H new ATOM 0 HG2 GLU A 68 6.763 7.182 -9.985 1.00 1.36 H new ATOM 0 HG3 GLU A 68 7.563 7.295 -11.540 1.00 1.36 H new ATOM 988 N LEU A 69 7.332 3.736 -10.184 1.00 0.57 N ATOM 989 CA LEU A 69 7.690 3.109 -8.916 1.00 0.57 C ATOM 990 C LEU A 69 8.895 3.771 -8.260 1.00 0.55 C ATOM 991 O LEU A 69 9.835 4.208 -8.932 1.00 0.60 O ATOM 992 CB LEU A 69 7.986 1.614 -9.109 1.00 0.69 C ATOM 993 CG LEU A 69 9.139 1.285 -10.064 1.00 0.83 C ATOM 994 CD1 LEU A 69 9.958 0.128 -9.519 1.00 1.15 C ATOM 995 CD2 LEU A 69 8.611 0.942 -11.451 1.00 1.17 C ATOM 0 H LEU A 69 7.959 3.511 -10.956 1.00 0.57 H new ATOM 0 HA LEU A 69 6.830 3.236 -8.259 1.00 0.57 H new ATOM 0 HB2 LEU A 69 8.209 1.177 -8.135 1.00 0.69 H new ATOM 0 HB3 LEU A 69 7.083 1.128 -9.477 1.00 0.69 H new ATOM 0 HG LEU A 69 9.777 2.165 -10.145 1.00 0.83 H new ATOM 0 HD11 LEU A 69 10.774 -0.096 -10.206 1.00 1.15 H new ATOM 0 HD12 LEU A 69 10.368 0.399 -8.546 1.00 1.15 H new ATOM 0 HD13 LEU A 69 9.321 -0.750 -9.413 1.00 1.15 H new ATOM 0 HD21 LEU A 69 9.447 0.712 -12.112 1.00 1.17 H new ATOM 0 HD22 LEU A 69 7.951 0.077 -11.386 1.00 1.17 H new ATOM 0 HD23 LEU A 69 8.056 1.792 -11.850 1.00 1.17 H new ATOM 1007 N ASN A 70 8.838 3.855 -6.940 1.00 0.52 N ATOM 1008 CA ASN A 70 9.986 4.230 -6.126 1.00 0.53 C ATOM 1009 C ASN A 70 10.228 3.139 -5.091 1.00 0.49 C ATOM 1010 O ASN A 70 9.330 2.806 -4.323 1.00 0.51 O ATOM 1011 CB ASN A 70 9.746 5.573 -5.428 1.00 0.59 C ATOM 1012 CG ASN A 70 10.932 6.009 -4.582 1.00 0.65 C ATOM 1013 OD1 ASN A 70 12.080 5.697 -4.894 1.00 0.92 O ATOM 1014 ND2 ASN A 70 10.664 6.737 -3.507 1.00 0.73 N ATOM 0 H ASN A 70 7.993 3.665 -6.401 1.00 0.52 H new ATOM 0 HA ASN A 70 10.861 4.338 -6.767 1.00 0.53 H new ATOM 0 HB2 ASN A 70 9.538 6.337 -6.178 1.00 0.59 H new ATOM 0 HB3 ASN A 70 8.861 5.498 -4.796 1.00 0.59 H new ATOM 0 HD21 ASN A 70 11.423 7.058 -2.906 1.00 0.73 H new ATOM 0 HD22 ASN A 70 9.699 6.976 -3.281 1.00 0.73 H new ATOM 1021 N VAL A 71 11.427 2.577 -5.078 1.00 0.51 N ATOM 1022 CA VAL A 71 11.726 1.441 -4.206 1.00 0.52 C ATOM 1023 C VAL A 71 12.169 1.893 -2.819 1.00 0.49 C ATOM 1024 O VAL A 71 12.894 2.874 -2.676 1.00 0.58 O ATOM 1025 CB VAL A 71 12.809 0.519 -4.813 1.00 0.68 C ATOM 1026 CG1 VAL A 71 12.306 -0.121 -6.098 1.00 0.97 C ATOM 1027 CG2 VAL A 71 14.102 1.284 -5.068 1.00 1.02 C ATOM 0 H VAL A 71 12.209 2.884 -5.657 1.00 0.51 H new ATOM 0 HA VAL A 71 10.797 0.878 -4.113 1.00 0.52 H new ATOM 0 HB VAL A 71 13.022 -0.270 -4.092 1.00 0.68 H new ATOM 0 HG11 VAL A 71 13.081 -0.766 -6.511 1.00 0.97 H new ATOM 0 HG12 VAL A 71 11.416 -0.713 -5.885 1.00 0.97 H new ATOM 0 HG13 VAL A 71 12.060 0.658 -6.820 1.00 0.97 H new ATOM 0 HG21 VAL A 71 14.845 0.610 -5.495 1.00 1.02 H new ATOM 0 HG22 VAL A 71 13.910 2.101 -5.764 1.00 1.02 H new ATOM 0 HG23 VAL A 71 14.477 1.689 -4.128 1.00 1.02 H new ATOM 1037 N GLY A 72 11.711 1.179 -1.800 1.00 0.44 N ATOM 1038 CA GLY A 72 12.111 1.481 -0.444 1.00 0.46 C ATOM 1039 C GLY A 72 11.899 0.307 0.495 1.00 0.44 C ATOM 1040 O GLY A 72 10.978 -0.488 0.302 1.00 0.48 O ATOM 0 H GLY A 72 11.067 0.393 -1.891 1.00 0.44 H new ATOM 0 HA2 GLY A 72 13.163 1.767 -0.433 1.00 0.46 H new ATOM 0 HA3 GLY A 72 11.544 2.339 -0.083 1.00 0.46 H new ATOM 1044 N PRO A 73 12.757 0.164 1.511 1.00 0.53 N ATOM 1045 CA PRO A 73 12.638 -0.881 2.518 1.00 0.54 C ATOM 1046 C PRO A 73 11.889 -0.418 3.763 1.00 0.49 C ATOM 1047 O PRO A 73 11.814 0.780 4.047 1.00 0.59 O ATOM 1048 CB PRO A 73 14.093 -1.150 2.860 1.00 0.72 C ATOM 1049 CG PRO A 73 14.764 0.177 2.729 1.00 1.00 C ATOM 1050 CD PRO A 73 13.947 0.994 1.750 1.00 0.76 C ATOM 0 HA PRO A 73 12.077 -1.744 2.160 1.00 0.54 H new ATOM 0 HB2 PRO A 73 14.196 -1.548 3.870 1.00 0.72 H new ATOM 0 HB3 PRO A 73 14.530 -1.884 2.182 1.00 0.72 H new ATOM 0 HG2 PRO A 73 14.820 0.677 3.696 1.00 1.00 H new ATOM 0 HG3 PRO A 73 15.787 0.058 2.372 1.00 1.00 H new ATOM 0 HD2 PRO A 73 13.680 1.966 2.164 1.00 0.76 H new ATOM 0 HD3 PRO A 73 14.497 1.181 0.828 1.00 0.76 H new ATOM 1058 N ALA A 74 11.350 -1.366 4.510 1.00 0.51 N ATOM 1059 CA ALA A 74 10.645 -1.047 5.740 1.00 0.61 C ATOM 1060 C ALA A 74 11.513 -1.336 6.962 1.00 0.84 C ATOM 1061 O ALA A 74 12.680 -1.716 6.832 1.00 1.58 O ATOM 1062 CB ALA A 74 9.344 -1.825 5.813 1.00 0.86 C ATOM 0 H ALA A 74 11.387 -2.361 4.287 1.00 0.51 H new ATOM 0 HA ALA A 74 10.418 0.019 5.737 1.00 0.61 H new ATOM 0 HB1 ALA A 74 8.824 -1.578 6.739 1.00 0.86 H new ATOM 0 HB2 ALA A 74 8.715 -1.563 4.962 1.00 0.86 H new ATOM 0 HB3 ALA A 74 9.557 -2.894 5.790 1.00 0.86 H new ATOM 1068 N ASN A 75 10.926 -1.146 8.142 1.00 0.62 N ATOM 1069 CA ASN A 75 11.616 -1.352 9.415 1.00 0.74 C ATOM 1070 C ASN A 75 12.176 -2.771 9.546 1.00 0.76 C ATOM 1071 O ASN A 75 13.394 -2.965 9.538 1.00 0.85 O ATOM 1072 CB ASN A 75 10.655 -1.044 10.571 1.00 0.99 C ATOM 1073 CG ASN A 75 11.197 -1.433 11.936 1.00 1.38 C ATOM 1074 OD1 ASN A 75 12.406 -1.437 12.175 1.00 2.09 O ATOM 1075 ND2 ASN A 75 10.294 -1.743 12.853 1.00 1.58 N ATOM 0 H ASN A 75 9.957 -0.844 8.243 1.00 0.62 H new ATOM 0 HA ASN A 75 12.467 -0.672 9.452 1.00 0.74 H new ATOM 0 HB2 ASN A 75 10.429 0.022 10.570 1.00 0.99 H new ATOM 0 HB3 ASN A 75 9.715 -1.569 10.400 1.00 0.99 H new ATOM 0 HD21 ASN A 75 10.590 -1.996 13.795 1.00 1.58 H new ATOM 0 HD22 ASN A 75 9.302 -1.728 12.617 1.00 1.58 H new ATOM 1082 N ASN A 76 11.301 -3.759 9.660 1.00 0.75 N ATOM 1083 CA ASN A 76 11.744 -5.132 9.860 1.00 0.82 C ATOM 1084 C ASN A 76 10.907 -6.085 9.021 1.00 0.77 C ATOM 1085 O ASN A 76 9.681 -6.053 9.093 1.00 0.81 O ATOM 1086 CB ASN A 76 11.653 -5.520 11.338 1.00 1.02 C ATOM 1087 CG ASN A 76 12.461 -6.765 11.660 1.00 1.32 C ATOM 1088 OD1 ASN A 76 13.619 -6.900 11.030 1.00 2.08 O flip ATOM 1089 ND2 ASN A 76 12.062 -7.579 12.495 1.00 1.38 N flip ATOM 0 H ASN A 76 10.289 -3.639 9.618 1.00 0.75 H new ATOM 0 HA ASN A 76 12.785 -5.203 9.545 1.00 0.82 H new ATOM 0 HB2 ASN A 76 12.008 -4.691 11.951 1.00 1.02 H new ATOM 0 HB3 ASN A 76 10.609 -5.689 11.603 1.00 1.02 H new ATOM 0 HD21 ASN A 76 11.164 -7.437 12.957 1.00 1.38 H new ATOM 0 HD22 ASN A 76 12.630 -8.395 12.724 1.00 1.38 H new ATOM 1096 N ASN A 77 11.592 -6.938 8.261 1.00 0.80 N ATOM 1097 CA ASN A 77 10.974 -7.826 7.265 1.00 0.86 C ATOM 1098 C ASN A 77 9.705 -8.518 7.766 1.00 0.95 C ATOM 1099 O ASN A 77 8.682 -8.517 7.081 1.00 1.05 O ATOM 1100 CB ASN A 77 11.995 -8.881 6.823 1.00 0.95 C ATOM 1101 CG ASN A 77 11.443 -9.831 5.772 1.00 1.40 C ATOM 1102 OD1 ASN A 77 10.891 -10.881 6.097 1.00 2.28 O ATOM 1103 ND2 ASN A 77 11.598 -9.473 4.506 1.00 1.72 N ATOM 0 H ASN A 77 12.606 -7.037 8.317 1.00 0.80 H new ATOM 0 HA ASN A 77 10.674 -7.198 6.426 1.00 0.86 H new ATOM 0 HB2 ASN A 77 12.879 -8.381 6.426 1.00 0.95 H new ATOM 0 HB3 ASN A 77 12.317 -9.455 7.692 1.00 0.95 H new ATOM 0 HD21 ASN A 77 11.254 -10.077 3.759 1.00 1.72 H new ATOM 0 HD22 ASN A 77 12.062 -8.594 4.278 1.00 1.72 H new ATOM 1110 N THR A 78 9.778 -9.106 8.955 1.00 1.02 N ATOM 1111 CA THR A 78 8.664 -9.863 9.510 1.00 1.22 C ATOM 1112 C THR A 78 7.419 -8.992 9.684 1.00 1.16 C ATOM 1113 O THR A 78 6.303 -9.400 9.342 1.00 1.41 O ATOM 1114 CB THR A 78 9.064 -10.482 10.860 1.00 1.44 C ATOM 1115 OG1 THR A 78 9.753 -9.505 11.656 1.00 1.95 O ATOM 1116 CG2 THR A 78 9.960 -11.695 10.651 1.00 1.88 C ATOM 0 H THR A 78 10.602 -9.072 9.555 1.00 1.02 H new ATOM 0 HA THR A 78 8.420 -10.657 8.804 1.00 1.22 H new ATOM 0 HB THR A 78 8.159 -10.802 11.376 1.00 1.44 H new ATOM 0 HG1 THR A 78 10.005 -9.902 12.516 1.00 1.95 H new ATOM 0 HG21 THR A 78 10.231 -12.118 11.618 1.00 1.88 H new ATOM 0 HG22 THR A 78 9.428 -12.444 10.064 1.00 1.88 H new ATOM 0 HG23 THR A 78 10.863 -11.393 10.121 1.00 1.88 H new ATOM 1124 N ALA A 79 7.620 -7.784 10.192 1.00 0.91 N ATOM 1125 CA ALA A 79 6.526 -6.849 10.395 1.00 0.86 C ATOM 1126 C ALA A 79 6.100 -6.239 9.065 1.00 0.73 C ATOM 1127 O ALA A 79 4.918 -6.260 8.711 1.00 0.77 O ATOM 1128 CB ALA A 79 6.938 -5.760 11.375 1.00 0.88 C ATOM 0 H ALA A 79 8.535 -7.429 10.471 1.00 0.91 H new ATOM 0 HA ALA A 79 5.677 -7.388 10.815 1.00 0.86 H new ATOM 0 HB1 ALA A 79 6.109 -5.067 11.518 1.00 0.88 H new ATOM 0 HB2 ALA A 79 7.202 -6.212 12.331 1.00 0.88 H new ATOM 0 HB3 ALA A 79 7.798 -5.221 10.979 1.00 0.88 H new ATOM 1134 N PHE A 80 7.074 -5.699 8.338 1.00 0.65 N ATOM 1135 CA PHE A 80 6.846 -5.099 7.027 1.00 0.60 C ATOM 1136 C PHE A 80 8.103 -5.265 6.183 1.00 0.72 C ATOM 1137 O PHE A 80 9.202 -4.968 6.644 1.00 1.37 O ATOM 1138 CB PHE A 80 6.502 -3.609 7.145 1.00 0.58 C ATOM 1139 CG PHE A 80 5.334 -3.316 8.043 1.00 0.58 C ATOM 1140 CD1 PHE A 80 4.037 -3.454 7.580 1.00 0.56 C ATOM 1141 CD2 PHE A 80 5.538 -2.921 9.356 1.00 0.72 C ATOM 1142 CE1 PHE A 80 2.964 -3.200 8.409 1.00 0.65 C ATOM 1143 CE2 PHE A 80 4.468 -2.669 10.190 1.00 0.82 C ATOM 1144 CZ PHE A 80 3.181 -2.808 9.717 1.00 0.77 C ATOM 0 H PHE A 80 8.047 -5.665 8.643 1.00 0.65 H new ATOM 0 HA PHE A 80 6.001 -5.603 6.557 1.00 0.60 H new ATOM 0 HB2 PHE A 80 7.376 -3.074 7.518 1.00 0.58 H new ATOM 0 HB3 PHE A 80 6.289 -3.217 6.151 1.00 0.58 H new ATOM 0 HD1 PHE A 80 3.863 -3.763 6.560 1.00 0.56 H new ATOM 0 HD2 PHE A 80 6.545 -2.809 9.730 1.00 0.72 H new ATOM 0 HE1 PHE A 80 1.956 -3.307 8.037 1.00 0.65 H new ATOM 0 HE2 PHE A 80 4.639 -2.363 11.212 1.00 0.82 H new ATOM 0 HZ PHE A 80 2.342 -2.611 10.368 1.00 0.77 H new ATOM 1154 N GLY A 81 7.946 -5.724 4.953 1.00 0.52 N ATOM 1155 CA GLY A 81 9.105 -6.052 4.146 1.00 0.57 C ATOM 1156 C GLY A 81 9.603 -4.888 3.316 1.00 0.50 C ATOM 1157 O GLY A 81 10.631 -4.277 3.625 1.00 0.54 O ATOM 0 H GLY A 81 7.045 -5.875 4.499 1.00 0.52 H new ATOM 0 HA2 GLY A 81 9.908 -6.395 4.798 1.00 0.57 H new ATOM 0 HA3 GLY A 81 8.856 -6.881 3.484 1.00 0.57 H new ATOM 1161 N TYR A 82 8.871 -4.578 2.261 1.00 0.45 N ATOM 1162 CA TYR A 82 9.287 -3.564 1.308 1.00 0.44 C ATOM 1163 C TYR A 82 8.104 -2.690 0.930 1.00 0.41 C ATOM 1164 O TYR A 82 6.952 -3.077 1.129 1.00 0.46 O ATOM 1165 CB TYR A 82 9.842 -4.226 0.042 1.00 0.54 C ATOM 1166 CG TYR A 82 8.782 -4.947 -0.768 1.00 0.84 C ATOM 1167 CD1 TYR A 82 8.369 -6.228 -0.428 1.00 1.33 C ATOM 1168 CD2 TYR A 82 8.180 -4.334 -1.860 1.00 1.01 C ATOM 1169 CE1 TYR A 82 7.386 -6.875 -1.152 1.00 1.92 C ATOM 1170 CE2 TYR A 82 7.200 -4.975 -2.590 1.00 1.53 C ATOM 1171 CZ TYR A 82 6.806 -6.244 -2.232 1.00 1.98 C ATOM 1172 OH TYR A 82 5.824 -6.882 -2.950 1.00 2.58 O ATOM 0 H TYR A 82 7.978 -5.018 2.041 1.00 0.45 H new ATOM 0 HA TYR A 82 10.062 -2.953 1.770 1.00 0.44 H new ATOM 0 HB2 TYR A 82 10.312 -3.466 -0.582 1.00 0.54 H new ATOM 0 HB3 TYR A 82 10.621 -4.935 0.322 1.00 0.54 H new ATOM 0 HD1 TYR A 82 8.823 -6.727 0.416 1.00 1.33 H new ATOM 0 HD2 TYR A 82 8.485 -3.337 -2.143 1.00 1.01 H new ATOM 0 HE1 TYR A 82 7.073 -7.870 -0.873 1.00 1.92 H new ATOM 0 HE2 TYR A 82 6.745 -4.484 -3.437 1.00 1.53 H new ATOM 0 HH TYR A 82 5.520 -6.300 -3.678 1.00 2.58 H new ATOM 1182 N TYR A 83 8.388 -1.529 0.374 1.00 0.36 N ATOM 1183 CA TYR A 83 7.347 -0.685 -0.167 1.00 0.38 C ATOM 1184 C TYR A 83 7.816 -0.057 -1.472 1.00 0.38 C ATOM 1185 O TYR A 83 8.955 0.392 -1.584 1.00 0.43 O ATOM 1186 CB TYR A 83 6.931 0.395 0.844 1.00 0.39 C ATOM 1187 CG TYR A 83 7.973 1.466 1.097 1.00 0.39 C ATOM 1188 CD1 TYR A 83 8.041 2.603 0.296 1.00 0.41 C ATOM 1189 CD2 TYR A 83 8.880 1.349 2.140 1.00 0.50 C ATOM 1190 CE1 TYR A 83 8.983 3.584 0.523 1.00 0.49 C ATOM 1191 CE2 TYR A 83 9.825 2.328 2.375 1.00 0.58 C ATOM 1192 CZ TYR A 83 9.873 3.441 1.564 1.00 0.56 C ATOM 1193 OH TYR A 83 10.817 4.411 1.797 1.00 0.68 O ATOM 0 H TYR A 83 9.331 -1.151 0.286 1.00 0.36 H new ATOM 0 HA TYR A 83 6.470 -1.300 -0.369 1.00 0.38 H new ATOM 0 HB2 TYR A 83 6.018 0.873 0.488 1.00 0.39 H new ATOM 0 HB3 TYR A 83 6.690 -0.088 1.791 1.00 0.39 H new ATOM 0 HD1 TYR A 83 7.342 2.719 -0.519 1.00 0.41 H new ATOM 0 HD2 TYR A 83 8.847 0.478 2.778 1.00 0.50 H new ATOM 0 HE1 TYR A 83 9.022 4.458 -0.111 1.00 0.49 H new ATOM 0 HE2 TYR A 83 10.524 2.222 3.191 1.00 0.58 H new ATOM 0 HH TYR A 83 10.373 5.240 2.072 1.00 0.68 H new ATOM 1203 N LEU A 84 6.955 -0.078 -2.471 1.00 0.40 N ATOM 1204 CA LEU A 84 7.237 0.600 -3.725 1.00 0.42 C ATOM 1205 C LEU A 84 6.186 1.665 -3.973 1.00 0.43 C ATOM 1206 O LEU A 84 5.003 1.364 -4.105 1.00 0.50 O ATOM 1207 CB LEU A 84 7.287 -0.384 -4.901 1.00 0.51 C ATOM 1208 CG LEU A 84 8.668 -0.986 -5.201 1.00 0.66 C ATOM 1209 CD1 LEU A 84 9.146 -1.868 -4.061 1.00 1.42 C ATOM 1210 CD2 LEU A 84 8.635 -1.773 -6.501 1.00 1.21 C ATOM 0 H LEU A 84 6.055 -0.556 -2.441 1.00 0.40 H new ATOM 0 HA LEU A 84 8.219 1.066 -3.648 1.00 0.42 H new ATOM 0 HB2 LEU A 84 6.591 -1.198 -4.701 1.00 0.51 H new ATOM 0 HB3 LEU A 84 6.931 0.127 -5.795 1.00 0.51 H new ATOM 0 HG LEU A 84 9.374 -0.162 -5.307 1.00 0.66 H new ATOM 0 HD11 LEU A 84 10.126 -2.278 -4.305 1.00 1.42 H new ATOM 0 HD12 LEU A 84 9.217 -1.276 -3.148 1.00 1.42 H new ATOM 0 HD13 LEU A 84 8.438 -2.683 -3.910 1.00 1.42 H new ATOM 0 HD21 LEU A 84 9.622 -2.192 -6.698 1.00 1.21 H new ATOM 0 HD22 LEU A 84 7.907 -2.580 -6.419 1.00 1.21 H new ATOM 0 HD23 LEU A 84 8.352 -1.111 -7.320 1.00 1.21 H new ATOM 1222 N THR A 85 6.613 2.908 -4.047 1.00 0.43 N ATOM 1223 CA THR A 85 5.703 4.009 -4.184 1.00 0.47 C ATOM 1224 C THR A 85 5.329 4.188 -5.644 1.00 0.45 C ATOM 1225 O THR A 85 6.100 4.729 -6.433 1.00 0.50 O ATOM 1226 CB THR A 85 6.336 5.302 -3.650 1.00 0.58 C ATOM 1227 OG1 THR A 85 6.790 5.113 -2.302 1.00 0.75 O ATOM 1228 CG2 THR A 85 5.344 6.440 -3.697 1.00 0.98 C ATOM 0 H THR A 85 7.597 3.176 -4.013 1.00 0.43 H new ATOM 0 HA THR A 85 4.807 3.793 -3.603 1.00 0.47 H new ATOM 0 HB THR A 85 7.187 5.551 -4.284 1.00 0.58 H new ATOM 0 HG1 THR A 85 7.259 5.918 -1.999 1.00 0.75 H new ATOM 0 HG21 THR A 85 5.812 7.347 -3.314 1.00 0.98 H new ATOM 0 HG22 THR A 85 5.026 6.603 -4.727 1.00 0.98 H new ATOM 0 HG23 THR A 85 4.477 6.193 -3.084 1.00 0.98 H new ATOM 1236 N LEU A 86 4.161 3.683 -5.996 1.00 0.43 N ATOM 1237 CA LEU A 86 3.673 3.750 -7.355 1.00 0.43 C ATOM 1238 C LEU A 86 2.618 4.835 -7.452 1.00 0.45 C ATOM 1239 O LEU A 86 1.629 4.804 -6.718 1.00 0.50 O ATOM 1240 CB LEU A 86 3.051 2.402 -7.740 1.00 0.46 C ATOM 1241 CG LEU A 86 3.133 1.995 -9.216 1.00 0.63 C ATOM 1242 CD1 LEU A 86 2.495 3.035 -10.117 1.00 1.23 C ATOM 1243 CD2 LEU A 86 4.571 1.751 -9.621 1.00 1.35 C ATOM 0 H LEU A 86 3.527 3.216 -5.347 1.00 0.43 H new ATOM 0 HA LEU A 86 4.498 3.977 -8.030 1.00 0.43 H new ATOM 0 HB2 LEU A 86 3.533 1.625 -7.147 1.00 0.46 H new ATOM 0 HB3 LEU A 86 2.000 2.419 -7.451 1.00 0.46 H new ATOM 0 HG LEU A 86 2.574 1.067 -9.335 1.00 0.63 H new ATOM 0 HD11 LEU A 86 2.572 2.713 -11.156 1.00 1.23 H new ATOM 0 HD12 LEU A 86 1.445 3.152 -9.850 1.00 1.23 H new ATOM 0 HD13 LEU A 86 3.009 3.988 -9.994 1.00 1.23 H new ATOM 0 HD21 LEU A 86 4.609 1.463 -10.672 1.00 1.35 H new ATOM 0 HD22 LEU A 86 5.150 2.662 -9.473 1.00 1.35 H new ATOM 0 HD23 LEU A 86 4.990 0.951 -9.010 1.00 1.35 H new ATOM 1255 N THR A 87 2.803 5.797 -8.333 1.00 0.48 N ATOM 1256 CA THR A 87 1.739 6.738 -8.572 1.00 0.55 C ATOM 1257 C THR A 87 0.753 6.118 -9.552 1.00 0.55 C ATOM 1258 O THR A 87 1.116 5.773 -10.679 1.00 0.56 O ATOM 1259 CB THR A 87 2.272 8.080 -9.111 1.00 0.61 C ATOM 1260 OG1 THR A 87 3.187 7.850 -10.189 1.00 1.21 O ATOM 1261 CG2 THR A 87 2.965 8.867 -8.009 1.00 1.26 C ATOM 0 H THR A 87 3.653 5.943 -8.878 1.00 0.48 H new ATOM 0 HA THR A 87 1.240 6.955 -7.627 1.00 0.55 H new ATOM 0 HB THR A 87 1.425 8.662 -9.475 1.00 0.61 H new ATOM 0 HG1 THR A 87 3.883 8.540 -10.181 1.00 1.21 H new ATOM 0 HG21 THR A 87 3.333 9.810 -8.412 1.00 1.26 H new ATOM 0 HG22 THR A 87 2.257 9.068 -7.205 1.00 1.26 H new ATOM 0 HG23 THR A 87 3.802 8.288 -7.619 1.00 1.26 H new ATOM 1269 N ARG A 88 -0.497 6.020 -9.117 1.00 0.60 N ATOM 1270 CA ARG A 88 -1.550 5.333 -9.859 1.00 0.67 C ATOM 1271 C ARG A 88 -2.730 5.068 -8.933 1.00 0.71 C ATOM 1272 O ARG A 88 -2.554 4.507 -7.852 1.00 1.02 O ATOM 1273 CB ARG A 88 -1.059 3.990 -10.432 1.00 0.71 C ATOM 1274 CG ARG A 88 -2.045 3.342 -11.391 1.00 0.93 C ATOM 1275 CD ARG A 88 -1.417 2.178 -12.138 1.00 1.05 C ATOM 1276 NE ARG A 88 -1.153 1.029 -11.276 1.00 0.86 N ATOM 1277 CZ ARG A 88 0.002 0.367 -11.248 1.00 0.99 C ATOM 1278 NH1 ARG A 88 1.045 0.818 -11.943 1.00 1.06 N ATOM 1279 NH2 ARG A 88 0.119 -0.734 -10.515 1.00 1.34 N ATOM 0 H ARG A 88 -0.812 6.418 -8.232 1.00 0.60 H new ATOM 0 HA ARG A 88 -1.846 5.975 -10.689 1.00 0.67 H new ATOM 0 HB2 ARG A 88 -0.113 4.149 -10.949 1.00 0.71 H new ATOM 0 HB3 ARG A 88 -0.861 3.304 -9.609 1.00 0.71 H new ATOM 0 HG2 ARG A 88 -2.916 2.992 -10.837 1.00 0.93 H new ATOM 0 HG3 ARG A 88 -2.400 4.085 -12.106 1.00 0.93 H new ATOM 0 HD2 ARG A 88 -2.078 1.874 -12.949 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -0.483 2.506 -12.594 1.00 1.05 H new ATOM 0 HE ARG A 88 -1.900 0.714 -10.657 1.00 0.86 H new ATOM 0 HH11 ARG A 88 0.959 1.670 -12.497 1.00 1.06 H new ATOM 0 HH12 ARG A 88 1.930 0.311 -11.922 1.00 1.06 H new ATOM 0 HH21 ARG A 88 -0.676 -1.073 -9.973 1.00 1.34 H new ATOM 0 HH22 ARG A 88 1.004 -1.241 -10.494 1.00 1.34 H new ATOM 1293 N LEU A 89 -3.918 5.477 -9.353 1.00 0.56 N ATOM 1294 CA LEU A 89 -5.133 5.251 -8.579 1.00 0.55 C ATOM 1295 C LEU A 89 -6.367 5.634 -9.379 1.00 0.55 C ATOM 1296 O LEU A 89 -6.271 6.164 -10.487 1.00 0.77 O ATOM 1297 CB LEU A 89 -5.124 6.049 -7.270 1.00 0.62 C ATOM 1298 CG LEU A 89 -4.935 5.226 -5.995 1.00 0.82 C ATOM 1299 CD1 LEU A 89 -5.034 6.120 -4.772 1.00 1.71 C ATOM 1300 CD2 LEU A 89 -5.965 4.107 -5.921 1.00 1.06 C ATOM 0 H LEU A 89 -4.068 5.971 -10.233 1.00 0.56 H new ATOM 0 HA LEU A 89 -5.164 4.187 -8.346 1.00 0.55 H new ATOM 0 HB2 LEU A 89 -4.327 6.791 -7.323 1.00 0.62 H new ATOM 0 HB3 LEU A 89 -6.064 6.595 -7.192 1.00 0.62 H new ATOM 0 HG LEU A 89 -3.942 4.776 -6.018 1.00 0.82 H new ATOM 0 HD11 LEU A 89 -4.898 5.521 -3.872 1.00 1.71 H new ATOM 0 HD12 LEU A 89 -4.261 6.887 -4.818 1.00 1.71 H new ATOM 0 HD13 LEU A 89 -6.015 6.595 -4.747 1.00 1.71 H new ATOM 0 HD21 LEU A 89 -5.814 3.533 -5.007 1.00 1.06 H new ATOM 0 HD22 LEU A 89 -6.968 4.535 -5.919 1.00 1.06 H new ATOM 0 HD23 LEU A 89 -5.852 3.451 -6.784 1.00 1.06 H new ATOM 1312 N ASP A 90 -7.517 5.362 -8.789 1.00 0.47 N ATOM 1313 CA ASP A 90 -8.809 5.695 -9.365 1.00 0.52 C ATOM 1314 C ASP A 90 -9.861 5.545 -8.277 1.00 0.53 C ATOM 1315 O ASP A 90 -9.643 4.803 -7.315 1.00 0.51 O ATOM 1316 CB ASP A 90 -9.129 4.780 -10.553 1.00 0.68 C ATOM 1317 CG ASP A 90 -10.461 5.109 -11.201 1.00 1.40 C ATOM 1318 OD1 ASP A 90 -10.506 6.006 -12.062 1.00 1.74 O ATOM 1319 OD2 ASP A 90 -11.470 4.470 -10.847 1.00 2.21 O ATOM 0 H ASP A 90 -7.581 4.897 -7.883 1.00 0.47 H new ATOM 0 HA ASP A 90 -8.796 6.719 -9.738 1.00 0.52 H new ATOM 0 HB2 ASP A 90 -8.337 4.866 -11.296 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -9.139 3.743 -10.216 1.00 0.68 H new ATOM 1324 N LYS A 91 -10.979 6.245 -8.407 1.00 0.63 N ATOM 1325 CA LYS A 91 -12.043 6.175 -7.414 1.00 0.75 C ATOM 1326 C LYS A 91 -12.546 4.736 -7.267 1.00 0.79 C ATOM 1327 O LYS A 91 -12.915 4.305 -6.172 1.00 0.85 O ATOM 1328 CB LYS A 91 -13.187 7.131 -7.797 1.00 0.89 C ATOM 1329 CG LYS A 91 -14.276 7.271 -6.739 1.00 1.15 C ATOM 1330 CD LYS A 91 -15.338 6.194 -6.877 1.00 1.38 C ATOM 1331 CE LYS A 91 -16.282 6.191 -5.693 1.00 1.71 C ATOM 1332 NZ LYS A 91 -17.324 5.141 -5.822 1.00 2.24 N ATOM 0 H LYS A 91 -11.173 6.868 -9.191 1.00 0.63 H new ATOM 0 HA LYS A 91 -11.648 6.488 -6.448 1.00 0.75 H new ATOM 0 HB2 LYS A 91 -12.767 8.116 -8.001 1.00 0.89 H new ATOM 0 HB3 LYS A 91 -13.641 6.780 -8.724 1.00 0.89 H new ATOM 0 HG2 LYS A 91 -13.828 7.215 -5.747 1.00 1.15 H new ATOM 0 HG3 LYS A 91 -14.741 8.253 -6.824 1.00 1.15 H new ATOM 0 HD2 LYS A 91 -15.904 6.355 -7.795 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -14.859 5.219 -6.965 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -15.715 6.030 -4.776 1.00 1.71 H new ATOM 0 HE3 LYS A 91 -16.759 7.167 -5.605 1.00 1.71 H new ATOM 0 HZ1 LYS A 91 -17.844 5.056 -4.925 1.00 2.24 H new ATOM 0 HZ2 LYS A 91 -17.985 5.400 -6.582 1.00 2.24 H new ATOM 0 HZ3 LYS A 91 -16.874 4.231 -6.049 1.00 2.24 H new ATOM 1346 N ALA A 92 -12.532 3.986 -8.365 1.00 0.81 N ATOM 1347 CA ALA A 92 -12.966 2.594 -8.340 1.00 0.94 C ATOM 1348 C ALA A 92 -11.992 1.734 -7.544 1.00 0.81 C ATOM 1349 O ALA A 92 -12.401 0.809 -6.846 1.00 0.81 O ATOM 1350 CB ALA A 92 -13.118 2.050 -9.753 1.00 1.13 C ATOM 0 H ALA A 92 -12.226 4.318 -9.280 1.00 0.81 H new ATOM 0 HA ALA A 92 -13.938 2.556 -7.848 1.00 0.94 H new ATOM 0 HB1 ALA A 92 -13.442 1.010 -9.710 1.00 1.13 H new ATOM 0 HB2 ALA A 92 -13.860 2.639 -10.292 1.00 1.13 H new ATOM 0 HB3 ALA A 92 -12.161 2.110 -10.271 1.00 1.13 H new ATOM 1356 N ALA A 93 -10.705 2.062 -7.629 1.00 0.73 N ATOM 1357 CA ALA A 93 -9.675 1.307 -6.926 1.00 0.67 C ATOM 1358 C ALA A 93 -9.793 1.524 -5.423 1.00 0.57 C ATOM 1359 O ALA A 93 -9.510 0.624 -4.632 1.00 0.57 O ATOM 1360 CB ALA A 93 -8.291 1.707 -7.420 1.00 0.69 C ATOM 0 H ALA A 93 -10.352 2.846 -8.178 1.00 0.73 H new ATOM 0 HA ALA A 93 -9.818 0.246 -7.133 1.00 0.67 H new ATOM 0 HB1 ALA A 93 -7.534 1.134 -6.885 1.00 0.69 H new ATOM 0 HB2 ALA A 93 -8.213 1.503 -8.488 1.00 0.69 H new ATOM 0 HB3 ALA A 93 -8.134 2.771 -7.241 1.00 0.69 H new ATOM 1366 N CYS A 94 -10.224 2.725 -5.049 1.00 0.55 N ATOM 1367 CA CYS A 94 -10.491 3.064 -3.656 1.00 0.58 C ATOM 1368 C CYS A 94 -11.494 2.080 -3.052 1.00 0.60 C ATOM 1369 O CYS A 94 -11.255 1.499 -1.992 1.00 0.63 O ATOM 1370 CB CYS A 94 -11.019 4.505 -3.568 1.00 0.67 C ATOM 1371 SG CYS A 94 -11.583 5.025 -1.914 1.00 1.02 S ATOM 0 H CYS A 94 -10.398 3.489 -5.702 1.00 0.55 H new ATOM 0 HA CYS A 94 -9.565 2.994 -3.085 1.00 0.58 H new ATOM 0 HB2 CYS A 94 -10.232 5.184 -3.896 1.00 0.67 H new ATOM 0 HB3 CYS A 94 -11.847 4.615 -4.268 1.00 0.67 H new ATOM 1376 N VAL A 95 -12.598 1.860 -3.760 1.00 0.64 N ATOM 1377 CA VAL A 95 -13.631 0.944 -3.296 1.00 0.71 C ATOM 1378 C VAL A 95 -13.190 -0.502 -3.459 1.00 0.65 C ATOM 1379 O VAL A 95 -13.534 -1.358 -2.652 1.00 0.67 O ATOM 1380 CB VAL A 95 -14.958 1.152 -4.060 1.00 0.83 C ATOM 1381 CG1 VAL A 95 -16.064 0.279 -3.483 1.00 0.96 C ATOM 1382 CG2 VAL A 95 -15.368 2.614 -4.042 1.00 1.04 C ATOM 0 H VAL A 95 -12.799 2.304 -4.656 1.00 0.64 H new ATOM 0 HA VAL A 95 -13.792 1.159 -2.240 1.00 0.71 H new ATOM 0 HB VAL A 95 -14.797 0.854 -5.096 1.00 0.83 H new ATOM 0 HG11 VAL A 95 -16.986 0.445 -4.039 1.00 0.96 H new ATOM 0 HG12 VAL A 95 -15.778 -0.770 -3.561 1.00 0.96 H new ATOM 0 HG13 VAL A 95 -16.221 0.536 -2.435 1.00 0.96 H new ATOM 0 HG21 VAL A 95 -16.305 2.736 -4.586 1.00 1.04 H new ATOM 0 HG22 VAL A 95 -15.502 2.942 -3.011 1.00 1.04 H new ATOM 0 HG23 VAL A 95 -14.592 3.215 -4.516 1.00 1.04 H new ATOM 1392 N SER A 96 -12.417 -0.762 -4.499 1.00 0.62 N ATOM 1393 CA SER A 96 -11.984 -2.113 -4.821 1.00 0.61 C ATOM 1394 C SER A 96 -11.189 -2.735 -3.672 1.00 0.55 C ATOM 1395 O SER A 96 -11.438 -3.874 -3.278 1.00 0.58 O ATOM 1396 CB SER A 96 -11.140 -2.088 -6.090 1.00 0.68 C ATOM 1397 OG SER A 96 -11.015 -3.385 -6.644 1.00 1.00 O ATOM 0 H SER A 96 -12.073 -0.048 -5.141 1.00 0.62 H new ATOM 0 HA SER A 96 -12.870 -2.728 -4.981 1.00 0.61 H new ATOM 0 HB2 SER A 96 -11.596 -1.419 -6.820 1.00 0.68 H new ATOM 0 HB3 SER A 96 -10.151 -1.688 -5.865 1.00 0.68 H new ATOM 0 HG SER A 96 -11.081 -3.332 -7.620 1.00 1.00 H new ATOM 1403 N LEU A 97 -10.255 -1.974 -3.123 1.00 0.56 N ATOM 1404 CA LEU A 97 -9.410 -2.463 -2.042 1.00 0.61 C ATOM 1405 C LEU A 97 -10.187 -2.553 -0.738 1.00 0.63 C ATOM 1406 O LEU A 97 -9.902 -3.400 0.108 1.00 0.70 O ATOM 1407 CB LEU A 97 -8.198 -1.552 -1.874 1.00 0.69 C ATOM 1408 CG LEU A 97 -7.233 -1.559 -3.062 1.00 0.78 C ATOM 1409 CD1 LEU A 97 -6.232 -0.422 -2.948 1.00 0.86 C ATOM 1410 CD2 LEU A 97 -6.510 -2.895 -3.156 1.00 0.89 C ATOM 0 H LEU A 97 -10.062 -1.014 -3.408 1.00 0.56 H new ATOM 0 HA LEU A 97 -9.070 -3.466 -2.301 1.00 0.61 H new ATOM 0 HB2 LEU A 97 -8.545 -0.532 -1.710 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -7.654 -1.852 -0.978 1.00 0.69 H new ATOM 0 HG LEU A 97 -7.814 -1.415 -3.973 1.00 0.78 H new ATOM 0 HD11 LEU A 97 -5.556 -0.446 -3.803 1.00 0.86 H new ATOM 0 HD12 LEU A 97 -6.763 0.530 -2.932 1.00 0.86 H new ATOM 0 HD13 LEU A 97 -5.658 -0.533 -2.028 1.00 0.86 H new ATOM 0 HD21 LEU A 97 -5.828 -2.881 -4.007 1.00 0.89 H new ATOM 0 HD22 LEU A 97 -5.944 -3.068 -2.240 1.00 0.89 H new ATOM 0 HD23 LEU A 97 -7.239 -3.695 -3.288 1.00 0.89 H new ATOM 1422 N ALA A 98 -11.173 -1.683 -0.587 1.00 0.64 N ATOM 1423 CA ALA A 98 -12.012 -1.679 0.601 1.00 0.75 C ATOM 1424 C ALA A 98 -13.058 -2.788 0.530 1.00 0.71 C ATOM 1425 O ALA A 98 -13.611 -3.210 1.546 1.00 0.85 O ATOM 1426 CB ALA A 98 -12.672 -0.323 0.766 1.00 0.92 C ATOM 0 H ALA A 98 -11.412 -0.969 -1.274 1.00 0.64 H new ATOM 0 HA ALA A 98 -11.385 -1.869 1.472 1.00 0.75 H new ATOM 0 HB1 ALA A 98 -13.298 -0.329 1.658 1.00 0.92 H new ATOM 0 HB2 ALA A 98 -11.905 0.445 0.866 1.00 0.92 H new ATOM 0 HB3 ALA A 98 -13.287 -0.109 -0.108 1.00 0.92 H new ATOM 1432 N THR A 99 -13.332 -3.255 -0.680 1.00 0.66 N ATOM 1433 CA THR A 99 -14.222 -4.384 -0.874 1.00 0.71 C ATOM 1434 C THR A 99 -13.419 -5.654 -1.074 1.00 0.66 C ATOM 1435 O THR A 99 -13.974 -6.702 -1.377 1.00 0.77 O ATOM 1436 CB THR A 99 -15.180 -4.177 -2.068 1.00 0.81 C ATOM 1437 OG1 THR A 99 -14.450 -3.780 -3.234 1.00 0.82 O ATOM 1438 CG2 THR A 99 -16.232 -3.129 -1.741 1.00 0.92 C ATOM 0 H THR A 99 -12.948 -2.867 -1.542 1.00 0.66 H new ATOM 0 HA THR A 99 -14.832 -4.471 0.025 1.00 0.71 H new ATOM 0 HB THR A 99 -15.679 -5.126 -2.266 1.00 0.81 H new ATOM 0 HG1 THR A 99 -14.324 -2.808 -3.226 1.00 0.82 H new ATOM 0 HG21 THR A 99 -16.895 -3.000 -2.596 1.00 0.92 H new ATOM 0 HG22 THR A 99 -16.812 -3.453 -0.877 1.00 0.92 H new ATOM 0 HG23 THR A 99 -15.743 -2.181 -1.515 1.00 0.92 H new ATOM 1446 N LEU A 100 -12.107 -5.540 -0.913 1.00 0.59 N ATOM 1447 CA LEU A 100 -11.221 -6.692 -0.911 1.00 0.61 C ATOM 1448 C LEU A 100 -11.033 -7.132 0.534 1.00 0.66 C ATOM 1449 O LEU A 100 -11.752 -6.666 1.415 1.00 0.93 O ATOM 1450 CB LEU A 100 -9.867 -6.322 -1.537 1.00 0.60 C ATOM 1451 CG LEU A 100 -9.209 -7.410 -2.390 1.00 0.69 C ATOM 1452 CD1 LEU A 100 -10.054 -7.702 -3.615 1.00 1.08 C ATOM 1453 CD2 LEU A 100 -7.809 -6.987 -2.804 1.00 0.73 C ATOM 0 H LEU A 100 -11.630 -4.648 -0.781 1.00 0.59 H new ATOM 0 HA LEU A 100 -11.651 -7.502 -1.500 1.00 0.61 H new ATOM 0 HB2 LEU A 100 -10.004 -5.435 -2.155 1.00 0.60 H new ATOM 0 HB3 LEU A 100 -9.180 -6.049 -0.736 1.00 0.60 H new ATOM 0 HG LEU A 100 -9.134 -8.319 -1.793 1.00 0.69 H new ATOM 0 HD11 LEU A 100 -9.574 -8.477 -4.212 1.00 1.08 H new ATOM 0 HD12 LEU A 100 -11.041 -8.043 -3.303 1.00 1.08 H new ATOM 0 HD13 LEU A 100 -10.155 -6.795 -4.212 1.00 1.08 H new ATOM 0 HD21 LEU A 100 -7.356 -7.772 -3.410 1.00 0.73 H new ATOM 0 HD22 LEU A 100 -7.864 -6.066 -3.385 1.00 0.73 H new ATOM 0 HD23 LEU A 100 -7.202 -6.819 -1.915 1.00 0.73 H new ATOM 1465 N ASN A 101 -10.099 -8.031 0.788 1.00 0.60 N ATOM 1466 CA ASN A 101 -9.722 -8.326 2.157 1.00 0.66 C ATOM 1467 C ASN A 101 -8.243 -8.074 2.353 1.00 0.70 C ATOM 1468 O ASN A 101 -7.401 -8.933 2.091 1.00 0.79 O ATOM 1469 CB ASN A 101 -10.079 -9.752 2.572 1.00 0.80 C ATOM 1470 CG ASN A 101 -9.676 -10.026 4.012 1.00 0.93 C ATOM 1471 OD1 ASN A 101 -8.605 -10.576 4.282 1.00 1.29 O ATOM 1472 ND2 ASN A 101 -10.508 -9.594 4.948 1.00 1.12 N ATOM 0 H ASN A 101 -9.595 -8.561 0.077 1.00 0.60 H new ATOM 0 HA ASN A 101 -10.295 -7.658 2.800 1.00 0.66 H new ATOM 0 HB2 ASN A 101 -11.151 -9.909 2.456 1.00 0.80 H new ATOM 0 HB3 ASN A 101 -9.580 -10.461 1.911 1.00 0.80 H new ATOM 0 HD21 ASN A 101 -10.272 -9.711 5.933 1.00 1.12 H new ATOM 0 HD22 ASN A 101 -11.384 -9.144 4.683 1.00 1.12 H new ATOM 1479 N LEU A 102 -7.932 -6.872 2.785 1.00 0.76 N ATOM 1480 CA LEU A 102 -6.564 -6.500 3.061 1.00 0.88 C ATOM 1481 C LEU A 102 -6.274 -6.690 4.537 1.00 0.99 C ATOM 1482 O LEU A 102 -6.216 -5.732 5.301 1.00 1.50 O ATOM 1483 CB LEU A 102 -6.297 -5.056 2.630 1.00 1.07 C ATOM 1484 CG LEU A 102 -6.538 -4.774 1.145 1.00 1.01 C ATOM 1485 CD1 LEU A 102 -6.312 -3.306 0.838 1.00 1.55 C ATOM 1486 CD2 LEU A 102 -5.637 -5.644 0.283 1.00 1.47 C ATOM 0 H LEU A 102 -8.613 -6.132 2.953 1.00 0.76 H new ATOM 0 HA LEU A 102 -5.897 -7.143 2.487 1.00 0.88 H new ATOM 0 HB2 LEU A 102 -6.931 -4.393 3.219 1.00 1.07 H new ATOM 0 HB3 LEU A 102 -5.264 -4.805 2.870 1.00 1.07 H new ATOM 0 HG LEU A 102 -7.575 -5.018 0.913 1.00 1.01 H new ATOM 0 HD11 LEU A 102 -6.488 -3.125 -0.222 1.00 1.55 H new ATOM 0 HD12 LEU A 102 -7.000 -2.701 1.429 1.00 1.55 H new ATOM 0 HD13 LEU A 102 -5.286 -3.036 1.087 1.00 1.55 H new ATOM 0 HD21 LEU A 102 -5.823 -5.429 -0.769 1.00 1.47 H new ATOM 0 HD22 LEU A 102 -4.594 -5.432 0.518 1.00 1.47 H new ATOM 0 HD23 LEU A 102 -5.848 -6.695 0.482 1.00 1.47 H new ATOM 1498 N GLY A 103 -6.163 -7.946 4.928 1.00 0.92 N ATOM 1499 CA GLY A 103 -5.814 -8.289 6.290 1.00 1.04 C ATOM 1500 C GLY A 103 -5.137 -9.636 6.349 1.00 1.12 C ATOM 1501 O GLY A 103 -4.013 -9.757 6.833 1.00 1.70 O ATOM 0 H GLY A 103 -6.311 -8.748 4.316 1.00 0.92 H new ATOM 0 HA2 GLY A 103 -5.153 -7.527 6.703 1.00 1.04 H new ATOM 0 HA3 GLY A 103 -6.712 -8.301 6.908 1.00 1.04 H new ATOM 1505 N THR A 104 -5.817 -10.650 5.827 1.00 1.03 N ATOM 1506 CA THR A 104 -5.243 -11.981 5.725 1.00 1.28 C ATOM 1507 C THR A 104 -4.109 -11.988 4.698 1.00 1.06 C ATOM 1508 O THR A 104 -3.075 -12.629 4.894 1.00 1.25 O ATOM 1509 CB THR A 104 -6.322 -13.014 5.332 1.00 1.73 C ATOM 1510 OG1 THR A 104 -7.403 -12.970 6.274 1.00 2.31 O ATOM 1511 CG2 THR A 104 -5.750 -14.424 5.284 1.00 2.21 C ATOM 0 H THR A 104 -6.769 -10.573 5.468 1.00 1.03 H new ATOM 0 HA THR A 104 -4.841 -12.257 6.700 1.00 1.28 H new ATOM 0 HB THR A 104 -6.685 -12.757 4.337 1.00 1.73 H new ATOM 0 HG1 THR A 104 -8.086 -13.626 6.020 1.00 2.31 H new ATOM 0 HG21 THR A 104 -6.536 -15.126 5.004 1.00 2.21 H new ATOM 0 HG22 THR A 104 -4.947 -14.466 4.548 1.00 2.21 H new ATOM 0 HG23 THR A 104 -5.357 -14.691 6.265 1.00 2.21 H new ATOM 1519 N SER A 105 -4.302 -11.245 3.616 1.00 0.97 N ATOM 1520 CA SER A 105 -3.300 -11.147 2.565 1.00 1.06 C ATOM 1521 C SER A 105 -2.807 -9.706 2.414 1.00 1.02 C ATOM 1522 O SER A 105 -2.709 -9.180 1.310 1.00 1.48 O ATOM 1523 CB SER A 105 -3.883 -11.660 1.250 1.00 1.35 C ATOM 1524 OG SER A 105 -4.326 -13.001 1.385 1.00 2.06 O ATOM 0 H SER A 105 -5.147 -10.700 3.444 1.00 0.97 H new ATOM 0 HA SER A 105 -2.443 -11.763 2.837 1.00 1.06 H new ATOM 0 HB2 SER A 105 -4.715 -11.026 0.944 1.00 1.35 H new ATOM 0 HB3 SER A 105 -3.130 -11.598 0.464 1.00 1.35 H new ATOM 0 HG SER A 105 -5.241 -13.079 1.043 1.00 2.06 H new ATOM 1530 N ALA A 106 -2.525 -9.066 3.541 1.00 0.76 N ATOM 1531 CA ALA A 106 -1.917 -7.742 3.551 1.00 0.73 C ATOM 1532 C ALA A 106 -1.122 -7.562 4.831 1.00 0.59 C ATOM 1533 O ALA A 106 -1.317 -8.306 5.785 1.00 0.67 O ATOM 1534 CB ALA A 106 -2.980 -6.662 3.430 1.00 0.90 C ATOM 0 H ALA A 106 -2.710 -9.447 4.469 1.00 0.76 H new ATOM 0 HA ALA A 106 -1.247 -7.652 2.696 1.00 0.73 H new ATOM 0 HB1 ALA A 106 -2.505 -5.681 3.439 1.00 0.90 H new ATOM 0 HB2 ALA A 106 -3.526 -6.792 2.495 1.00 0.90 H new ATOM 0 HB3 ALA A 106 -3.673 -6.738 4.268 1.00 0.90 H new ATOM 1540 N LYS A 107 -0.216 -6.598 4.856 1.00 0.51 N ATOM 1541 CA LYS A 107 0.536 -6.324 6.071 1.00 0.47 C ATOM 1542 C LYS A 107 -0.107 -5.156 6.812 1.00 0.51 C ATOM 1543 O LYS A 107 0.090 -4.980 8.013 1.00 0.70 O ATOM 1544 CB LYS A 107 2.002 -5.986 5.774 1.00 0.58 C ATOM 1545 CG LYS A 107 2.721 -6.977 4.871 1.00 0.99 C ATOM 1546 CD LYS A 107 2.931 -8.325 5.544 1.00 0.67 C ATOM 1547 CE LYS A 107 3.831 -8.214 6.770 1.00 1.07 C ATOM 1548 NZ LYS A 107 3.921 -9.494 7.524 1.00 1.69 N ATOM 0 H LYS A 107 0.015 -6.000 4.063 1.00 0.51 H new ATOM 0 HA LYS A 107 0.516 -7.225 6.684 1.00 0.47 H new ATOM 0 HB2 LYS A 107 2.045 -5.000 5.312 1.00 0.58 H new ATOM 0 HB3 LYS A 107 2.542 -5.920 6.718 1.00 0.58 H new ATOM 0 HG2 LYS A 107 2.145 -7.116 3.956 1.00 0.99 H new ATOM 0 HG3 LYS A 107 3.687 -6.565 4.579 1.00 0.99 H new ATOM 0 HD2 LYS A 107 1.966 -8.738 5.838 1.00 0.67 H new ATOM 0 HD3 LYS A 107 3.372 -9.022 4.831 1.00 0.67 H new ATOM 0 HE2 LYS A 107 4.830 -7.908 6.458 1.00 1.07 H new ATOM 0 HE3 LYS A 107 3.449 -7.433 7.428 1.00 1.07 H new ATOM 0 HZ1 LYS A 107 4.743 -9.465 8.161 1.00 1.69 H new ATOM 0 HZ2 LYS A 107 3.054 -9.629 8.083 1.00 1.69 H new ATOM 0 HZ3 LYS A 107 4.029 -10.284 6.856 1.00 1.69 H new ATOM 1562 N GLY A 108 -0.857 -4.351 6.064 1.00 0.50 N ATOM 1563 CA GLY A 108 -1.539 -3.203 6.629 1.00 0.61 C ATOM 1564 C GLY A 108 -1.983 -2.240 5.553 1.00 0.58 C ATOM 1565 O GLY A 108 -1.354 -2.155 4.498 1.00 0.81 O ATOM 0 H GLY A 108 -1.005 -4.478 5.063 1.00 0.50 H new ATOM 0 HA2 GLY A 108 -2.405 -3.537 7.200 1.00 0.61 H new ATOM 0 HA3 GLY A 108 -0.876 -2.691 7.326 1.00 0.61 H new ATOM 1569 N TYR A 109 -3.053 -1.506 5.808 1.00 0.52 N ATOM 1570 CA TYR A 109 -3.597 -0.601 4.807 1.00 0.49 C ATOM 1571 C TYR A 109 -3.847 0.779 5.418 1.00 0.47 C ATOM 1572 O TYR A 109 -4.596 0.904 6.381 1.00 0.51 O ATOM 1573 CB TYR A 109 -4.892 -1.213 4.260 1.00 0.58 C ATOM 1574 CG TYR A 109 -5.496 -0.485 3.082 1.00 0.57 C ATOM 1575 CD1 TYR A 109 -4.808 -0.370 1.889 1.00 0.98 C ATOM 1576 CD2 TYR A 109 -6.763 0.066 3.162 1.00 1.25 C ATOM 1577 CE1 TYR A 109 -5.364 0.278 0.801 1.00 1.13 C ATOM 1578 CE2 TYR A 109 -7.330 0.718 2.083 1.00 1.39 C ATOM 1579 CZ TYR A 109 -6.626 0.822 0.904 1.00 0.99 C ATOM 1580 OH TYR A 109 -7.183 1.473 -0.171 1.00 1.28 O ATOM 0 H TYR A 109 -3.560 -1.518 6.693 1.00 0.52 H new ATOM 0 HA TYR A 109 -2.888 -0.468 3.990 1.00 0.49 H new ATOM 0 HB2 TYR A 109 -4.693 -2.244 3.967 1.00 0.58 H new ATOM 0 HB3 TYR A 109 -5.628 -1.246 5.063 1.00 0.58 H new ATOM 0 HD1 TYR A 109 -3.818 -0.794 1.805 1.00 0.98 H new ATOM 0 HD2 TYR A 109 -7.319 -0.015 4.084 1.00 1.25 H new ATOM 0 HE1 TYR A 109 -4.812 0.357 -0.124 1.00 1.13 H new ATOM 0 HE2 TYR A 109 -8.319 1.143 2.164 1.00 1.39 H new ATOM 0 HH TYR A 109 -8.077 1.796 0.069 1.00 1.28 H new ATOM 1590 N GLY A 110 -3.239 1.818 4.844 1.00 0.45 N ATOM 1591 CA GLY A 110 -3.325 3.145 5.438 1.00 0.48 C ATOM 1592 C GLY A 110 -3.580 4.245 4.424 1.00 0.52 C ATOM 1593 O GLY A 110 -2.729 4.539 3.587 1.00 0.85 O ATOM 0 H GLY A 110 -2.692 1.766 3.985 1.00 0.45 H new ATOM 0 HA2 GLY A 110 -4.124 3.152 6.179 1.00 0.48 H new ATOM 0 HA3 GLY A 110 -2.397 3.358 5.968 1.00 0.48 H new ATOM 1597 N VAL A 111 -4.745 4.875 4.515 1.00 0.44 N ATOM 1598 CA VAL A 111 -5.129 5.924 3.576 1.00 0.50 C ATOM 1599 C VAL A 111 -4.768 7.299 4.135 1.00 0.50 C ATOM 1600 O VAL A 111 -5.051 7.590 5.299 1.00 0.52 O ATOM 1601 CB VAL A 111 -6.645 5.882 3.273 1.00 0.64 C ATOM 1602 CG1 VAL A 111 -7.020 6.922 2.229 1.00 1.25 C ATOM 1603 CG2 VAL A 111 -7.064 4.495 2.815 1.00 1.53 C ATOM 0 H VAL A 111 -5.443 4.677 5.232 1.00 0.44 H new ATOM 0 HA VAL A 111 -4.582 5.749 2.650 1.00 0.50 H new ATOM 0 HB VAL A 111 -7.178 6.117 4.195 1.00 0.64 H new ATOM 0 HG11 VAL A 111 -8.091 6.872 2.034 1.00 1.25 H new ATOM 0 HG12 VAL A 111 -6.764 7.916 2.597 1.00 1.25 H new ATOM 0 HG13 VAL A 111 -6.474 6.725 1.307 1.00 1.25 H new ATOM 0 HG21 VAL A 111 -8.134 4.488 2.607 1.00 1.53 H new ATOM 0 HG22 VAL A 111 -6.517 4.230 1.910 1.00 1.53 H new ATOM 0 HG23 VAL A 111 -6.842 3.771 3.599 1.00 1.53 H new ATOM 1613 N ASN A 112 -4.152 8.135 3.293 1.00 0.53 N ATOM 1614 CA ASN A 112 -3.684 9.470 3.696 1.00 0.60 C ATOM 1615 C ASN A 112 -2.554 9.379 4.712 1.00 0.56 C ATOM 1616 O ASN A 112 -2.348 10.291 5.511 1.00 0.69 O ATOM 1617 CB ASN A 112 -4.819 10.340 4.257 1.00 0.69 C ATOM 1618 CG ASN A 112 -5.587 11.069 3.172 1.00 0.79 C ATOM 1619 OD1 ASN A 112 -5.165 12.128 2.711 1.00 1.07 O ATOM 1620 ND2 ASN A 112 -6.731 10.535 2.781 1.00 1.16 N ATOM 0 H ASN A 112 -3.963 7.909 2.316 1.00 0.53 H new ATOM 0 HA ASN A 112 -3.309 9.948 2.791 1.00 0.60 H new ATOM 0 HB2 ASN A 112 -5.506 9.712 4.824 1.00 0.69 H new ATOM 0 HB3 ASN A 112 -4.403 11.068 4.954 1.00 0.69 H new ATOM 0 HD21 ASN A 112 -7.297 11.003 2.073 1.00 1.16 H new ATOM 0 HD22 ASN A 112 -7.048 9.655 3.187 1.00 1.16 H new ATOM 1627 N ILE A 113 -1.816 8.283 4.670 1.00 0.54 N ATOM 1628 CA ILE A 113 -0.658 8.116 5.530 1.00 0.54 C ATOM 1629 C ILE A 113 0.615 8.360 4.728 1.00 0.60 C ATOM 1630 O ILE A 113 0.674 8.047 3.539 1.00 0.73 O ATOM 1631 CB ILE A 113 -0.617 6.706 6.159 1.00 0.58 C ATOM 1632 CG1 ILE A 113 -1.923 6.405 6.905 1.00 0.77 C ATOM 1633 CG2 ILE A 113 0.571 6.577 7.102 1.00 0.76 C ATOM 1634 CD1 ILE A 113 -2.218 7.355 8.050 1.00 0.83 C ATOM 0 H ILE A 113 -1.999 7.495 4.049 1.00 0.54 H new ATOM 0 HA ILE A 113 -0.731 8.842 6.340 1.00 0.54 H new ATOM 0 HB ILE A 113 -0.505 5.979 5.355 1.00 0.58 H new ATOM 0 HG12 ILE A 113 -2.750 6.441 6.196 1.00 0.77 H new ATOM 0 HG13 ILE A 113 -1.880 5.388 7.294 1.00 0.77 H new ATOM 0 HG21 ILE A 113 0.584 5.577 7.536 1.00 0.76 H new ATOM 0 HG22 ILE A 113 1.495 6.744 6.548 1.00 0.76 H new ATOM 0 HG23 ILE A 113 0.486 7.317 7.898 1.00 0.76 H new ATOM 0 HD11 ILE A 113 -3.158 7.073 8.524 1.00 0.83 H new ATOM 0 HD12 ILE A 113 -1.412 7.303 8.782 1.00 0.83 H new ATOM 0 HD13 ILE A 113 -2.296 8.373 7.668 1.00 0.83 H new ATOM 1646 N SER A 114 1.607 8.951 5.368 1.00 0.60 N ATOM 1647 CA SER A 114 2.888 9.204 4.737 1.00 0.70 C ATOM 1648 C SER A 114 4.023 8.773 5.664 1.00 0.67 C ATOM 1649 O SER A 114 4.132 9.266 6.789 1.00 0.77 O ATOM 1650 CB SER A 114 3.002 10.690 4.379 1.00 0.83 C ATOM 1651 OG SER A 114 2.485 11.504 5.421 1.00 1.58 O ATOM 0 H SER A 114 1.548 9.268 6.336 1.00 0.60 H new ATOM 0 HA SER A 114 2.963 8.621 3.819 1.00 0.70 H new ATOM 0 HB2 SER A 114 4.046 10.945 4.197 1.00 0.83 H new ATOM 0 HB3 SER A 114 2.460 10.888 3.454 1.00 0.83 H new ATOM 0 HG SER A 114 2.764 11.142 6.288 1.00 1.58 H new ATOM 1657 N GLY A 115 4.853 7.848 5.201 1.00 0.70 N ATOM 1658 CA GLY A 115 5.918 7.329 6.037 1.00 0.70 C ATOM 1659 C GLY A 115 5.935 5.817 6.054 1.00 0.70 C ATOM 1660 O GLY A 115 5.887 5.198 7.116 1.00 0.75 O ATOM 0 H GLY A 115 4.808 7.448 4.264 1.00 0.70 H new ATOM 0 HA2 GLY A 115 6.877 7.699 5.675 1.00 0.70 H new ATOM 0 HA3 GLY A 115 5.796 7.702 7.054 1.00 0.70 H new ATOM 1664 N GLU A 116 6.001 5.232 4.864 1.00 0.73 N ATOM 1665 CA GLU A 116 5.978 3.788 4.681 1.00 0.77 C ATOM 1666 C GLU A 116 7.048 3.069 5.499 1.00 0.75 C ATOM 1667 O GLU A 116 6.869 1.912 5.881 1.00 0.84 O ATOM 1668 CB GLU A 116 6.162 3.459 3.203 1.00 0.82 C ATOM 1669 CG GLU A 116 4.972 3.813 2.334 1.00 0.97 C ATOM 1670 CD GLU A 116 5.009 5.237 1.814 1.00 1.60 C ATOM 1671 OE1 GLU A 116 5.010 6.175 2.636 1.00 2.30 O ATOM 1672 OE2 GLU A 116 5.015 5.419 0.573 1.00 2.05 O ATOM 0 H GLU A 116 6.073 5.754 3.990 1.00 0.73 H new ATOM 0 HA GLU A 116 5.010 3.435 5.037 1.00 0.77 H new ATOM 0 HB2 GLU A 116 7.039 3.988 2.831 1.00 0.82 H new ATOM 0 HB3 GLU A 116 6.367 2.393 3.102 1.00 0.82 H new ATOM 0 HG2 GLU A 116 4.932 3.126 1.489 1.00 0.97 H new ATOM 0 HG3 GLU A 116 4.057 3.667 2.907 1.00 0.97 H new ATOM 1679 N ASN A 117 8.158 3.752 5.754 1.00 0.67 N ATOM 1680 CA ASN A 117 9.256 3.183 6.537 1.00 0.67 C ATOM 1681 C ASN A 117 8.760 2.707 7.900 1.00 0.69 C ATOM 1682 O ASN A 117 9.207 1.680 8.415 1.00 0.75 O ATOM 1683 CB ASN A 117 10.371 4.212 6.733 1.00 0.71 C ATOM 1684 CG ASN A 117 10.871 4.793 5.427 1.00 1.03 C ATOM 1685 OD1 ASN A 117 10.355 5.802 4.950 1.00 1.95 O ATOM 1686 ND2 ASN A 117 11.882 4.169 4.845 1.00 0.96 N ATOM 0 H ASN A 117 8.325 4.705 5.430 1.00 0.67 H new ATOM 0 HA ASN A 117 9.650 2.330 5.984 1.00 0.67 H new ATOM 0 HB2 ASN A 117 10.006 5.019 7.368 1.00 0.71 H new ATOM 0 HB3 ASN A 117 11.203 3.744 7.259 1.00 0.71 H new ATOM 0 HD21 ASN A 117 12.262 4.523 3.967 1.00 0.96 H new ATOM 0 HD22 ASN A 117 12.281 3.334 5.274 1.00 0.96 H new ATOM 1693 N ASN A 118 7.826 3.456 8.473 1.00 0.70 N ATOM 1694 CA ASN A 118 7.230 3.101 9.752 1.00 0.80 C ATOM 1695 C ASN A 118 5.779 3.559 9.783 1.00 0.82 C ATOM 1696 O ASN A 118 5.460 4.636 10.292 1.00 1.00 O ATOM 1697 CB ASN A 118 8.018 3.708 10.919 1.00 0.90 C ATOM 1698 CG ASN A 118 7.535 3.220 12.275 1.00 1.75 C ATOM 1699 OD1 ASN A 118 7.993 2.192 12.778 1.00 2.60 O ATOM 1700 ND2 ASN A 118 6.611 3.953 12.875 1.00 2.33 N ATOM 0 H ASN A 118 7.464 4.319 8.067 1.00 0.70 H new ATOM 0 HA ASN A 118 7.264 2.017 9.864 1.00 0.80 H new ATOM 0 HB2 ASN A 118 9.074 3.462 10.805 1.00 0.90 H new ATOM 0 HB3 ASN A 118 7.937 4.794 10.879 1.00 0.90 H new ATOM 0 HD21 ASN A 118 6.252 3.674 13.788 1.00 2.33 H new ATOM 0 HD22 ASN A 118 6.258 4.797 12.425 1.00 2.33 H new ATOM 1707 N ILE A 119 4.927 2.743 9.181 1.00 0.78 N ATOM 1708 CA ILE A 119 3.494 3.013 9.076 1.00 0.87 C ATOM 1709 C ILE A 119 2.840 3.189 10.457 1.00 0.71 C ATOM 1710 O ILE A 119 3.288 2.604 11.450 1.00 0.73 O ATOM 1711 CB ILE A 119 2.806 1.861 8.300 1.00 1.22 C ATOM 1712 CG1 ILE A 119 1.305 2.101 8.127 1.00 1.45 C ATOM 1713 CG2 ILE A 119 3.060 0.534 8.990 1.00 1.38 C ATOM 1714 CD1 ILE A 119 0.979 3.186 7.127 1.00 2.02 C ATOM 0 H ILE A 119 5.210 1.865 8.746 1.00 0.78 H new ATOM 0 HA ILE A 119 3.366 3.951 8.535 1.00 0.87 H new ATOM 0 HB ILE A 119 3.244 1.831 7.302 1.00 1.22 H new ATOM 0 HG12 ILE A 119 0.831 1.172 7.811 1.00 1.45 H new ATOM 0 HG13 ILE A 119 0.874 2.366 9.092 1.00 1.45 H new ATOM 0 HG21 ILE A 119 2.571 -0.265 8.433 1.00 1.38 H new ATOM 0 HG22 ILE A 119 4.133 0.344 9.030 1.00 1.38 H new ATOM 0 HG23 ILE A 119 2.660 0.568 10.003 1.00 1.38 H new ATOM 0 HD11 ILE A 119 -0.102 3.302 7.055 1.00 2.02 H new ATOM 0 HD12 ILE A 119 1.424 4.126 7.452 1.00 2.02 H new ATOM 0 HD13 ILE A 119 1.380 2.913 6.151 1.00 2.02 H new ATOM 1726 N THR A 120 1.785 4.001 10.502 1.00 0.70 N ATOM 1727 CA THR A 120 1.062 4.297 11.734 1.00 0.64 C ATOM 1728 C THR A 120 0.276 3.074 12.233 1.00 0.56 C ATOM 1729 O THR A 120 0.165 2.068 11.526 1.00 0.54 O ATOM 1730 CB THR A 120 0.094 5.474 11.496 1.00 0.79 C ATOM 1731 OG1 THR A 120 0.471 6.167 10.297 1.00 1.59 O ATOM 1732 CG2 THR A 120 0.120 6.450 12.660 1.00 1.33 C ATOM 0 H THR A 120 1.407 4.473 9.680 1.00 0.70 H new ATOM 0 HA THR A 120 1.792 4.564 12.499 1.00 0.64 H new ATOM 0 HB THR A 120 -0.915 5.071 11.401 1.00 0.79 H new ATOM 0 HG1 THR A 120 0.225 7.112 10.374 1.00 1.59 H new ATOM 0 HG21 THR A 120 -0.572 7.269 12.464 1.00 1.33 H new ATOM 0 HG22 THR A 120 -0.177 5.935 13.573 1.00 1.33 H new ATOM 0 HG23 THR A 120 1.128 6.848 12.779 1.00 1.33 H new ATOM 1740 N SER A 121 -0.253 3.161 13.455 1.00 0.57 N ATOM 1741 CA SER A 121 -0.993 2.055 14.062 1.00 0.55 C ATOM 1742 C SER A 121 -2.250 1.718 13.257 1.00 0.52 C ATOM 1743 O SER A 121 -2.883 2.602 12.673 1.00 0.57 O ATOM 1744 CB SER A 121 -1.369 2.409 15.501 1.00 0.65 C ATOM 1745 OG SER A 121 -0.229 2.837 16.233 1.00 1.27 O ATOM 0 H SER A 121 -0.182 3.990 14.045 1.00 0.57 H new ATOM 0 HA SER A 121 -0.349 1.175 14.062 1.00 0.55 H new ATOM 0 HB2 SER A 121 -2.123 3.197 15.501 1.00 0.65 H new ATOM 0 HB3 SER A 121 -1.814 1.542 15.988 1.00 0.65 H new ATOM 0 HG SER A 121 -0.494 3.060 17.150 1.00 1.27 H new ATOM 1751 N PHE A 122 -2.612 0.440 13.239 1.00 0.49 N ATOM 1752 CA PHE A 122 -3.715 -0.032 12.415 1.00 0.50 C ATOM 1753 C PHE A 122 -4.987 -0.247 13.227 1.00 0.53 C ATOM 1754 O PHE A 122 -4.979 -0.940 14.244 1.00 0.68 O ATOM 1755 CB PHE A 122 -3.337 -1.345 11.733 1.00 0.52 C ATOM 1756 CG PHE A 122 -2.132 -1.249 10.847 1.00 0.52 C ATOM 1757 CD1 PHE A 122 -2.226 -0.700 9.579 1.00 0.53 C ATOM 1758 CD2 PHE A 122 -0.906 -1.721 11.279 1.00 0.61 C ATOM 1759 CE1 PHE A 122 -1.119 -0.621 8.761 1.00 0.59 C ATOM 1760 CE2 PHE A 122 0.203 -1.645 10.467 1.00 0.66 C ATOM 1761 CZ PHE A 122 0.097 -1.095 9.206 1.00 0.63 C ATOM 0 H PHE A 122 -2.155 -0.288 13.788 1.00 0.49 H new ATOM 0 HA PHE A 122 -3.910 0.740 11.671 1.00 0.50 H new ATOM 0 HB2 PHE A 122 -3.153 -2.100 12.498 1.00 0.52 H new ATOM 0 HB3 PHE A 122 -4.184 -1.691 11.140 1.00 0.52 H new ATOM 0 HD1 PHE A 122 -3.177 -0.330 9.227 1.00 0.53 H new ATOM 0 HD2 PHE A 122 -0.818 -2.154 12.264 1.00 0.61 H new ATOM 0 HE1 PHE A 122 -1.204 -0.189 7.775 1.00 0.59 H new ATOM 0 HE2 PHE A 122 1.155 -2.016 10.817 1.00 0.66 H new ATOM 0 HZ PHE A 122 0.966 -1.036 8.568 1.00 0.63 H new ATOM 1771 N GLY A 123 -6.074 0.356 12.764 1.00 0.53 N ATOM 1772 CA GLY A 123 -7.382 0.100 13.334 1.00 0.60 C ATOM 1773 C GLY A 123 -8.253 -0.682 12.370 1.00 0.67 C ATOM 1774 O GLY A 123 -7.842 -1.736 11.885 1.00 1.24 O ATOM 0 H GLY A 123 -6.072 1.026 11.995 1.00 0.53 H new ATOM 0 HA2 GLY A 123 -7.274 -0.456 14.265 1.00 0.60 H new ATOM 0 HA3 GLY A 123 -7.866 1.045 13.582 1.00 0.60 H new ATOM 1778 N ASN A 124 -9.440 -0.163 12.067 1.00 0.58 N ATOM 1779 CA ASN A 124 -10.328 -0.800 11.090 1.00 0.60 C ATOM 1780 C ASN A 124 -11.078 0.233 10.257 1.00 0.61 C ATOM 1781 O ASN A 124 -12.092 -0.076 9.632 1.00 0.99 O ATOM 1782 CB ASN A 124 -11.322 -1.740 11.780 1.00 0.81 C ATOM 1783 CG ASN A 124 -10.823 -3.174 11.824 1.00 1.83 C ATOM 1784 OD1 ASN A 124 -10.096 -3.619 10.933 1.00 2.63 O ATOM 1785 ND2 ASN A 124 -11.210 -3.907 12.857 1.00 2.45 N ATOM 0 H ASN A 124 -9.811 0.693 12.480 1.00 0.58 H new ATOM 0 HA ASN A 124 -9.699 -1.386 10.420 1.00 0.60 H new ATOM 0 HB2 ASN A 124 -11.505 -1.390 12.796 1.00 0.81 H new ATOM 0 HB3 ASN A 124 -12.276 -1.706 11.254 1.00 0.81 H new ATOM 0 HD21 ASN A 124 -10.906 -4.877 12.936 1.00 2.45 H new ATOM 0 HD22 ASN A 124 -11.812 -3.501 13.573 1.00 2.45 H new ATOM 1792 N SER A 125 -10.565 1.457 10.233 1.00 0.51 N ATOM 1793 CA SER A 125 -11.155 2.515 9.424 1.00 0.55 C ATOM 1794 C SER A 125 -10.065 3.203 8.594 1.00 0.49 C ATOM 1795 O SER A 125 -8.883 2.889 8.733 1.00 0.64 O ATOM 1796 CB SER A 125 -11.873 3.527 10.320 1.00 0.73 C ATOM 1797 OG SER A 125 -12.881 2.896 11.098 1.00 1.33 O ATOM 0 H SER A 125 -9.742 1.741 10.764 1.00 0.51 H new ATOM 0 HA SER A 125 -11.888 2.080 8.745 1.00 0.55 H new ATOM 0 HB2 SER A 125 -11.151 4.011 10.978 1.00 0.73 H new ATOM 0 HB3 SER A 125 -12.319 4.309 9.706 1.00 0.73 H new ATOM 0 HG SER A 125 -13.324 3.563 11.663 1.00 1.33 H new ATOM 1803 N ALA A 126 -10.457 4.141 7.741 1.00 0.61 N ATOM 1804 CA ALA A 126 -9.519 4.777 6.823 1.00 0.57 C ATOM 1805 C ALA A 126 -9.536 6.296 6.952 1.00 0.73 C ATOM 1806 O ALA A 126 -10.228 6.844 7.811 1.00 1.25 O ATOM 1807 CB ALA A 126 -9.841 4.383 5.392 1.00 0.62 C ATOM 0 H ALA A 126 -11.417 4.478 7.665 1.00 0.61 H new ATOM 0 HA ALA A 126 -8.520 4.430 7.086 1.00 0.57 H new ATOM 0 HB1 ALA A 126 -9.135 4.863 4.715 1.00 0.62 H new ATOM 0 HB2 ALA A 126 -9.766 3.301 5.287 1.00 0.62 H new ATOM 0 HB3 ALA A 126 -10.854 4.702 5.146 1.00 0.62 H new ATOM 1813 N ASP A 127 -8.753 6.949 6.081 1.00 0.96 N ATOM 1814 CA ASP A 127 -8.664 8.413 6.005 1.00 1.08 C ATOM 1815 C ASP A 127 -7.961 8.997 7.225 1.00 0.90 C ATOM 1816 O ASP A 127 -8.535 9.079 8.313 1.00 1.34 O ATOM 1817 CB ASP A 127 -10.047 9.045 5.824 1.00 1.42 C ATOM 1818 CG ASP A 127 -10.004 10.559 5.895 1.00 1.53 C ATOM 1819 OD1 ASP A 127 -9.277 11.179 5.095 1.00 2.08 O ATOM 1820 OD2 ASP A 127 -10.719 11.131 6.745 1.00 1.40 O ATOM 0 H ASP A 127 -8.159 6.471 5.404 1.00 0.96 H new ATOM 0 HA ASP A 127 -8.063 8.653 5.128 1.00 1.08 H new ATOM 0 HB2 ASP A 127 -10.460 8.741 4.862 1.00 1.42 H new ATOM 0 HB3 ASP A 127 -10.720 8.667 6.594 1.00 1.42 H new ATOM 1825 N GLN A 128 -6.696 9.380 7.028 1.00 0.95 N ATOM 1826 CA GLN A 128 -5.862 9.918 8.101 1.00 0.92 C ATOM 1827 C GLN A 128 -5.699 8.881 9.207 1.00 0.83 C ATOM 1828 O GLN A 128 -5.444 9.205 10.369 1.00 1.02 O ATOM 1829 CB GLN A 128 -6.454 11.230 8.632 1.00 1.02 C ATOM 1830 CG GLN A 128 -6.401 12.356 7.606 1.00 1.17 C ATOM 1831 CD GLN A 128 -7.078 13.630 8.072 1.00 1.60 C ATOM 1832 OE1 GLN A 128 -8.122 13.490 8.871 1.00 1.72 O flip ATOM 1833 NE2 GLN A 128 -6.671 14.733 7.700 1.00 2.54 N flip ATOM 0 H GLN A 128 -6.225 9.325 6.125 1.00 0.95 H new ATOM 0 HA GLN A 128 -4.871 10.143 7.707 1.00 0.92 H new ATOM 0 HB2 GLN A 128 -7.489 11.063 8.929 1.00 1.02 H new ATOM 0 HB3 GLN A 128 -5.911 11.533 9.527 1.00 1.02 H new ATOM 0 HG2 GLN A 128 -5.359 12.573 7.370 1.00 1.17 H new ATOM 0 HG3 GLN A 128 -6.874 12.019 6.683 1.00 1.17 H new ATOM 0 HE21 GLN A 128 -5.861 14.796 7.083 1.00 2.54 H new ATOM 0 HE22 GLN A 128 -7.144 15.582 8.009 1.00 2.54 H new ATOM 1842 N ALA A 129 -5.816 7.622 8.807 1.00 0.65 N ATOM 1843 CA ALA A 129 -5.694 6.499 9.712 1.00 0.63 C ATOM 1844 C ALA A 129 -5.430 5.226 8.923 1.00 0.52 C ATOM 1845 O ALA A 129 -5.838 5.105 7.762 1.00 0.47 O ATOM 1846 CB ALA A 129 -6.954 6.350 10.553 1.00 0.69 C ATOM 0 H ALA A 129 -5.999 7.355 7.840 1.00 0.65 H new ATOM 0 HA ALA A 129 -4.855 6.680 10.384 1.00 0.63 H new ATOM 0 HB1 ALA A 129 -6.843 5.501 11.227 1.00 0.69 H new ATOM 0 HB2 ALA A 129 -7.112 7.258 11.136 1.00 0.69 H new ATOM 0 HB3 ALA A 129 -7.810 6.185 9.899 1.00 0.69 H new ATOM 1852 N ALA A 130 -4.738 4.291 9.546 1.00 0.54 N ATOM 1853 CA ALA A 130 -4.467 3.006 8.932 1.00 0.50 C ATOM 1854 C ALA A 130 -5.298 1.931 9.616 1.00 0.47 C ATOM 1855 O ALA A 130 -5.719 2.107 10.760 1.00 0.53 O ATOM 1856 CB ALA A 130 -2.982 2.678 9.014 1.00 0.58 C ATOM 0 H ALA A 130 -4.351 4.399 10.484 1.00 0.54 H new ATOM 0 HA ALA A 130 -4.742 3.047 7.878 1.00 0.50 H new ATOM 0 HB1 ALA A 130 -2.797 1.710 8.548 1.00 0.58 H new ATOM 0 HB2 ALA A 130 -2.410 3.446 8.493 1.00 0.58 H new ATOM 0 HB3 ALA A 130 -2.674 2.643 10.059 1.00 0.58 H new ATOM 1862 N LYS A 131 -5.545 0.829 8.925 1.00 0.43 N ATOM 1863 CA LYS A 131 -6.317 -0.260 9.495 1.00 0.44 C ATOM 1864 C LYS A 131 -5.631 -1.592 9.230 1.00 0.45 C ATOM 1865 O LYS A 131 -4.849 -1.722 8.285 1.00 0.49 O ATOM 1866 CB LYS A 131 -7.749 -0.281 8.944 1.00 0.49 C ATOM 1867 CG LYS A 131 -7.936 -1.104 7.675 1.00 0.58 C ATOM 1868 CD LYS A 131 -7.688 -0.290 6.422 1.00 0.62 C ATOM 1869 CE LYS A 131 -8.629 0.898 6.350 1.00 0.89 C ATOM 1870 NZ LYS A 131 -8.691 1.486 4.989 1.00 1.43 N ATOM 0 H LYS A 131 -5.222 0.667 7.971 1.00 0.43 H new ATOM 0 HA LYS A 131 -6.375 -0.099 10.571 1.00 0.44 H new ATOM 0 HB2 LYS A 131 -8.414 -0.672 9.714 1.00 0.49 H new ATOM 0 HB3 LYS A 131 -8.061 0.744 8.744 1.00 0.49 H new ATOM 0 HG2 LYS A 131 -7.256 -1.956 7.693 1.00 0.58 H new ATOM 0 HG3 LYS A 131 -8.949 -1.505 7.651 1.00 0.58 H new ATOM 0 HD2 LYS A 131 -6.655 0.058 6.409 1.00 0.62 H new ATOM 0 HD3 LYS A 131 -7.823 -0.919 5.542 1.00 0.62 H new ATOM 0 HE2 LYS A 131 -9.628 0.586 6.654 1.00 0.89 H new ATOM 0 HE3 LYS A 131 -8.303 1.660 7.058 1.00 0.89 H new ATOM 0 HZ1 LYS A 131 -9.683 1.657 4.730 1.00 1.43 H new ATOM 0 HZ2 LYS A 131 -8.170 2.386 4.975 1.00 1.43 H new ATOM 0 HZ3 LYS A 131 -8.263 0.828 4.307 1.00 1.43 H new ATOM 1884 N SER A 132 -5.927 -2.570 10.072 1.00 0.49 N ATOM 1885 CA SER A 132 -5.318 -3.884 9.970 1.00 0.59 C ATOM 1886 C SER A 132 -6.002 -4.704 8.889 1.00 0.68 C ATOM 1887 O SER A 132 -5.342 -5.346 8.072 1.00 0.97 O ATOM 1888 CB SER A 132 -5.401 -4.605 11.317 1.00 0.69 C ATOM 1889 OG SER A 132 -4.782 -5.882 11.266 1.00 1.43 O ATOM 0 H SER A 132 -6.592 -2.475 10.840 1.00 0.49 H new ATOM 0 HA SER A 132 -4.269 -3.764 9.698 1.00 0.59 H new ATOM 0 HB2 SER A 132 -4.922 -3.998 12.085 1.00 0.69 H new ATOM 0 HB3 SER A 132 -6.446 -4.718 11.606 1.00 0.69 H new ATOM 0 HG SER A 132 -4.852 -6.315 12.143 1.00 1.43 H new ATOM 1895 N THR A 133 -7.326 -4.678 8.882 1.00 0.72 N ATOM 1896 CA THR A 133 -8.081 -5.414 7.893 1.00 0.93 C ATOM 1897 C THR A 133 -9.024 -4.505 7.131 1.00 0.69 C ATOM 1898 O THR A 133 -9.709 -3.668 7.718 1.00 1.11 O ATOM 1899 CB THR A 133 -8.890 -6.563 8.519 1.00 1.84 C ATOM 1900 OG1 THR A 133 -9.733 -6.072 9.578 1.00 2.38 O ATOM 1901 CG2 THR A 133 -7.971 -7.648 9.060 1.00 2.26 C ATOM 0 H THR A 133 -7.894 -4.156 9.550 1.00 0.72 H new ATOM 0 HA THR A 133 -7.349 -5.837 7.205 1.00 0.93 H new ATOM 0 HB THR A 133 -9.514 -6.992 7.735 1.00 1.84 H new ATOM 0 HG1 THR A 133 -9.585 -5.110 9.695 1.00 2.38 H new ATOM 0 HG21 THR A 133 -8.570 -8.447 9.497 1.00 2.26 H new ATOM 0 HG22 THR A 133 -7.365 -8.050 8.248 1.00 2.26 H new ATOM 0 HG23 THR A 133 -7.319 -7.225 9.824 1.00 2.26 H new ATOM 1909 N ALA A 134 -9.055 -4.684 5.827 1.00 0.82 N ATOM 1910 CA ALA A 134 -9.950 -3.930 4.973 1.00 1.50 C ATOM 1911 C ALA A 134 -10.973 -4.873 4.379 1.00 1.30 C ATOM 1912 O ALA A 134 -10.604 -5.912 3.833 1.00 1.86 O ATOM 1913 CB ALA A 134 -9.179 -3.208 3.878 1.00 2.33 C ATOM 0 H ALA A 134 -8.465 -5.352 5.331 1.00 0.82 H new ATOM 0 HA ALA A 134 -10.459 -3.170 5.566 1.00 1.50 H new ATOM 0 HB1 ALA A 134 -9.874 -2.650 3.251 1.00 2.33 H new ATOM 0 HB2 ALA A 134 -8.464 -2.520 4.329 1.00 2.33 H new ATOM 0 HB3 ALA A 134 -8.645 -3.937 3.268 1.00 2.33 H new ATOM 1919 N ILE A 135 -12.245 -4.528 4.521 1.00 0.99 N ATOM 1920 CA ILE A 135 -13.332 -5.379 4.067 1.00 0.96 C ATOM 1921 C ILE A 135 -14.670 -4.704 4.379 1.00 1.21 C ATOM 1922 O ILE A 135 -14.706 -3.753 5.160 1.00 2.09 O ATOM 1923 CB ILE A 135 -13.261 -6.773 4.747 1.00 1.26 C ATOM 1924 CG1 ILE A 135 -14.213 -7.766 4.072 1.00 1.57 C ATOM 1925 CG2 ILE A 135 -13.567 -6.663 6.236 1.00 1.67 C ATOM 1926 CD1 ILE A 135 -14.131 -9.170 4.633 1.00 1.72 C ATOM 0 H ILE A 135 -12.550 -3.655 4.952 1.00 0.99 H new ATOM 0 HA ILE A 135 -13.241 -5.524 2.991 1.00 0.96 H new ATOM 0 HB ILE A 135 -12.245 -7.150 4.632 1.00 1.26 H new ATOM 0 HG12 ILE A 135 -15.235 -7.403 4.176 1.00 1.57 H new ATOM 0 HG13 ILE A 135 -13.993 -7.798 3.005 1.00 1.57 H new ATOM 0 HG21 ILE A 135 -13.512 -7.651 6.693 1.00 1.67 H new ATOM 0 HG22 ILE A 135 -12.840 -6.003 6.709 1.00 1.67 H new ATOM 0 HG23 ILE A 135 -14.569 -6.256 6.372 1.00 1.67 H new ATOM 0 HD11 ILE A 135 -14.834 -9.814 4.105 1.00 1.72 H new ATOM 0 HD12 ILE A 135 -13.119 -9.555 4.505 1.00 1.72 H new ATOM 0 HD13 ILE A 135 -14.381 -9.153 5.694 1.00 1.72 H new ATOM 1938 N THR A 136 -15.743 -5.194 3.750 1.00 1.18 N ATOM 1939 CA THR A 136 -17.119 -4.711 3.948 1.00 1.62 C ATOM 1940 C THR A 136 -17.315 -3.272 3.453 1.00 1.09 C ATOM 1941 O THR A 136 -16.377 -2.475 3.394 1.00 1.00 O ATOM 1942 CB THR A 136 -17.611 -4.832 5.418 1.00 2.43 C ATOM 1943 OG1 THR A 136 -16.929 -3.909 6.277 1.00 3.11 O ATOM 1944 CG2 THR A 136 -17.420 -6.250 5.942 1.00 3.17 C ATOM 0 H THR A 136 -15.681 -5.955 3.073 1.00 1.18 H new ATOM 0 HA THR A 136 -17.732 -5.375 3.338 1.00 1.62 H new ATOM 0 HB THR A 136 -18.674 -4.590 5.421 1.00 2.43 H new ATOM 0 HG1 THR A 136 -16.200 -3.479 5.782 1.00 3.11 H new ATOM 0 HG21 THR A 136 -17.772 -6.308 6.972 1.00 3.17 H new ATOM 0 HG22 THR A 136 -17.988 -6.946 5.325 1.00 3.17 H new ATOM 0 HG23 THR A 136 -16.363 -6.512 5.905 1.00 3.17 H new ATOM 1952 N PRO A 137 -18.558 -2.935 3.071 1.00 1.02 N ATOM 1953 CA PRO A 137 -18.931 -1.584 2.632 1.00 1.06 C ATOM 1954 C PRO A 137 -18.558 -0.500 3.642 1.00 0.97 C ATOM 1955 O PRO A 137 -18.350 0.655 3.275 1.00 1.12 O ATOM 1956 CB PRO A 137 -20.450 -1.666 2.490 1.00 1.46 C ATOM 1957 CG PRO A 137 -20.725 -3.101 2.221 1.00 1.55 C ATOM 1958 CD PRO A 137 -19.697 -3.866 3.002 1.00 1.31 C ATOM 0 HA PRO A 137 -18.408 -1.305 1.717 1.00 1.06 H new ATOM 0 HB2 PRO A 137 -20.952 -1.330 3.397 1.00 1.46 H new ATOM 0 HB3 PRO A 137 -20.807 -1.035 1.676 1.00 1.46 H new ATOM 0 HG2 PRO A 137 -21.734 -3.371 2.533 1.00 1.55 H new ATOM 0 HG3 PRO A 137 -20.651 -3.321 1.156 1.00 1.55 H new ATOM 0 HD2 PRO A 137 -20.061 -4.130 3.995 1.00 1.31 H new ATOM 0 HD3 PRO A 137 -19.425 -4.797 2.505 1.00 1.31 H new ATOM 1966 N ALA A 138 -18.488 -0.884 4.912 1.00 1.04 N ATOM 1967 CA ALA A 138 -18.108 0.037 5.980 1.00 1.16 C ATOM 1968 C ALA A 138 -16.739 0.662 5.708 1.00 0.92 C ATOM 1969 O ALA A 138 -16.578 1.882 5.783 1.00 0.97 O ATOM 1970 CB ALA A 138 -18.109 -0.679 7.321 1.00 1.54 C ATOM 0 H ALA A 138 -18.690 -1.832 5.229 1.00 1.04 H new ATOM 0 HA ALA A 138 -18.844 0.841 6.011 1.00 1.16 H new ATOM 0 HB1 ALA A 138 -17.824 0.020 8.107 1.00 1.54 H new ATOM 0 HB2 ALA A 138 -19.107 -1.067 7.525 1.00 1.54 H new ATOM 0 HB3 ALA A 138 -17.397 -1.504 7.294 1.00 1.54 H new ATOM 1976 N GLU A 139 -15.760 -0.179 5.393 1.00 0.82 N ATOM 1977 CA GLU A 139 -14.437 0.288 5.008 1.00 0.81 C ATOM 1978 C GLU A 139 -14.536 1.161 3.765 1.00 0.71 C ATOM 1979 O GLU A 139 -14.016 2.269 3.737 1.00 0.80 O ATOM 1980 CB GLU A 139 -13.518 -0.901 4.730 1.00 0.97 C ATOM 1981 CG GLU A 139 -12.087 -0.707 5.203 1.00 1.27 C ATOM 1982 CD GLU A 139 -11.406 0.511 4.619 1.00 1.55 C ATOM 1983 OE1 GLU A 139 -11.567 1.615 5.182 1.00 1.90 O ATOM 1984 OE2 GLU A 139 -10.646 0.360 3.641 1.00 2.13 O ATOM 0 H GLU A 139 -15.861 -1.194 5.398 1.00 0.82 H new ATOM 0 HA GLU A 139 -14.021 0.874 5.827 1.00 0.81 H new ATOM 0 HB2 GLU A 139 -13.932 -1.786 5.213 1.00 0.97 H new ATOM 0 HB3 GLU A 139 -13.511 -1.097 3.658 1.00 0.97 H new ATOM 0 HG2 GLU A 139 -12.082 -0.627 6.290 1.00 1.27 H new ATOM 0 HG3 GLU A 139 -11.507 -1.593 4.946 1.00 1.27 H new ATOM 1991 N ALA A 140 -15.238 0.660 2.750 1.00 0.71 N ATOM 1992 CA ALA A 140 -15.400 1.379 1.486 1.00 0.90 C ATOM 1993 C ALA A 140 -15.934 2.790 1.709 1.00 0.85 C ATOM 1994 O ALA A 140 -15.506 3.741 1.053 1.00 1.08 O ATOM 1995 CB ALA A 140 -16.324 0.609 0.553 1.00 1.09 C ATOM 0 H ALA A 140 -15.706 -0.246 2.778 1.00 0.71 H new ATOM 0 HA ALA A 140 -14.416 1.463 1.024 1.00 0.90 H new ATOM 0 HB1 ALA A 140 -16.435 1.157 -0.383 1.00 1.09 H new ATOM 0 HB2 ALA A 140 -15.899 -0.374 0.350 1.00 1.09 H new ATOM 0 HB3 ALA A 140 -17.301 0.492 1.023 1.00 1.09 H new ATOM 2001 N ALA A 141 -16.865 2.922 2.643 1.00 0.71 N ATOM 2002 CA ALA A 141 -17.454 4.213 2.961 1.00 0.82 C ATOM 2003 C ALA A 141 -16.450 5.121 3.660 1.00 0.79 C ATOM 2004 O ALA A 141 -16.518 6.346 3.539 1.00 0.92 O ATOM 2005 CB ALA A 141 -18.683 4.030 3.834 1.00 0.95 C ATOM 0 H ALA A 141 -17.230 2.146 3.196 1.00 0.71 H new ATOM 0 HA ALA A 141 -17.747 4.687 2.024 1.00 0.82 H new ATOM 0 HB1 ALA A 141 -19.114 5.004 4.065 1.00 0.95 H new ATOM 0 HB2 ALA A 141 -19.418 3.424 3.305 1.00 0.95 H new ATOM 0 HB3 ALA A 141 -18.400 3.530 4.760 1.00 0.95 H new ATOM 2011 N THR A 142 -15.529 4.521 4.399 1.00 0.72 N ATOM 2012 CA THR A 142 -14.563 5.284 5.169 1.00 0.83 C ATOM 2013 C THR A 142 -13.322 5.608 4.335 1.00 0.97 C ATOM 2014 O THR A 142 -12.732 6.679 4.476 1.00 1.17 O ATOM 2015 CB THR A 142 -14.163 4.519 6.444 1.00 0.84 C ATOM 2016 OG1 THR A 142 -15.335 3.953 7.049 1.00 0.81 O ATOM 2017 CG2 THR A 142 -13.480 5.447 7.440 1.00 1.00 C ATOM 0 H THR A 142 -15.432 3.509 4.481 1.00 0.72 H new ATOM 0 HA THR A 142 -15.034 6.224 5.456 1.00 0.83 H new ATOM 0 HB THR A 142 -13.465 3.728 6.169 1.00 0.84 H new ATOM 0 HG1 THR A 142 -15.609 3.156 6.549 1.00 0.81 H new ATOM 0 HG21 THR A 142 -13.206 4.885 8.333 1.00 1.00 H new ATOM 0 HG22 THR A 142 -12.583 5.869 6.988 1.00 1.00 H new ATOM 0 HG23 THR A 142 -14.162 6.252 7.713 1.00 1.00 H new ATOM 2025 N ALA A 143 -12.935 4.678 3.467 1.00 0.97 N ATOM 2026 CA ALA A 143 -11.789 4.870 2.585 1.00 1.19 C ATOM 2027 C ALA A 143 -12.067 5.960 1.563 1.00 1.05 C ATOM 2028 O ALA A 143 -11.301 6.916 1.431 1.00 1.28 O ATOM 2029 CB ALA A 143 -11.431 3.565 1.888 1.00 1.42 C ATOM 0 H ALA A 143 -13.402 3.778 3.356 1.00 0.97 H new ATOM 0 HA ALA A 143 -10.941 5.184 3.193 1.00 1.19 H new ATOM 0 HB1 ALA A 143 -10.574 3.725 1.234 1.00 1.42 H new ATOM 0 HB2 ALA A 143 -11.182 2.810 2.634 1.00 1.42 H new ATOM 0 HB3 ALA A 143 -12.280 3.224 1.296 1.00 1.42 H new ATOM 2035 N CYS A 144 -13.168 5.820 0.845 1.00 0.87 N ATOM 2036 CA CYS A 144 -13.569 6.829 -0.115 1.00 0.96 C ATOM 2037 C CYS A 144 -14.423 7.876 0.587 1.00 0.91 C ATOM 2038 O CYS A 144 -15.653 7.876 0.482 1.00 1.26 O ATOM 2039 CB CYS A 144 -14.340 6.199 -1.275 1.00 1.28 C ATOM 2040 SG CYS A 144 -13.584 4.682 -1.958 1.00 1.45 S ATOM 0 H CYS A 144 -13.797 5.020 0.909 1.00 0.87 H new ATOM 0 HA CYS A 144 -12.679 7.304 -0.527 1.00 0.96 H new ATOM 0 HB2 CYS A 144 -15.350 5.966 -0.938 1.00 1.28 H new ATOM 0 HB3 CYS A 144 -14.432 6.934 -2.074 1.00 1.28 H new ATOM 2045 N LYS A 145 -13.763 8.739 1.341 1.00 1.09 N ATOM 2046 CA LYS A 145 -14.439 9.747 2.140 1.00 1.29 C ATOM 2047 C LYS A 145 -13.614 11.027 2.163 1.00 1.29 C ATOM 2048 O LYS A 145 -12.602 11.109 2.864 1.00 2.01 O ATOM 2049 CB LYS A 145 -14.662 9.213 3.560 1.00 1.65 C ATOM 2050 CG LYS A 145 -15.202 10.243 4.540 1.00 2.35 C ATOM 2051 CD LYS A 145 -15.444 9.623 5.907 1.00 3.18 C ATOM 2052 CE LYS A 145 -15.730 10.681 6.961 1.00 4.04 C ATOM 2053 NZ LYS A 145 -14.536 11.525 7.231 1.00 4.87 N ATOM 0 H LYS A 145 -12.746 8.761 1.416 1.00 1.09 H new ATOM 0 HA LYS A 145 -15.410 9.974 1.699 1.00 1.29 H new ATOM 0 HB2 LYS A 145 -15.356 8.374 3.515 1.00 1.65 H new ATOM 0 HB3 LYS A 145 -13.717 8.826 3.942 1.00 1.65 H new ATOM 0 HG2 LYS A 145 -14.496 11.068 4.631 1.00 2.35 H new ATOM 0 HG3 LYS A 145 -16.133 10.661 4.157 1.00 2.35 H new ATOM 0 HD2 LYS A 145 -16.284 8.930 5.849 1.00 3.18 H new ATOM 0 HD3 LYS A 145 -14.571 9.041 6.203 1.00 3.18 H new ATOM 0 HE2 LYS A 145 -16.554 11.312 6.629 1.00 4.04 H new ATOM 0 HE3 LYS A 145 -16.050 10.198 7.884 1.00 4.04 H new ATOM 0 HZ1 LYS A 145 -14.657 12.017 8.139 1.00 4.87 H new ATOM 0 HZ2 LYS A 145 -13.688 10.924 7.273 1.00 4.87 H new ATOM 0 HZ3 LYS A 145 -14.427 12.225 6.470 1.00 4.87 H new ATOM 2067 N ASN A 146 -14.043 12.003 1.361 1.00 1.10 N ATOM 2068 CA ASN A 146 -13.346 13.289 1.215 1.00 1.21 C ATOM 2069 C ASN A 146 -12.010 13.111 0.498 1.00 1.25 C ATOM 2070 O ASN A 146 -11.249 14.067 0.325 1.00 1.88 O ATOM 2071 CB ASN A 146 -13.130 13.970 2.576 1.00 1.56 C ATOM 2072 CG ASN A 146 -14.433 14.318 3.271 1.00 2.22 C ATOM 2073 OD1 ASN A 146 -14.986 13.517 4.023 1.00 2.76 O ATOM 2074 ND2 ASN A 146 -14.929 15.518 3.028 1.00 2.97 N ATOM 0 H ASN A 146 -14.886 11.927 0.791 1.00 1.10 H new ATOM 0 HA ASN A 146 -13.983 13.934 0.609 1.00 1.21 H new ATOM 0 HB2 ASN A 146 -12.545 13.311 3.218 1.00 1.56 H new ATOM 0 HB3 ASN A 146 -12.545 14.879 2.434 1.00 1.56 H new ATOM 0 HD21 ASN A 146 -15.801 15.809 3.471 1.00 2.97 H new ATOM 0 HD22 ASN A 146 -14.440 16.154 2.398 1.00 2.97 H new ATOM 2081 N THR A 147 -11.742 11.890 0.057 1.00 1.03 N ATOM 2082 CA THR A 147 -10.495 11.570 -0.604 1.00 1.07 C ATOM 2083 C THR A 147 -10.561 11.875 -2.098 1.00 1.14 C ATOM 2084 O THR A 147 -10.982 11.044 -2.904 1.00 2.01 O ATOM 2085 CB THR A 147 -10.118 10.093 -0.379 1.00 1.20 C ATOM 2086 OG1 THR A 147 -11.287 9.263 -0.466 1.00 1.79 O ATOM 2087 CG2 THR A 147 -9.464 9.906 0.981 1.00 1.52 C ATOM 0 H THR A 147 -12.382 11.101 0.149 1.00 1.03 H new ATOM 0 HA THR A 147 -9.722 12.200 -0.164 1.00 1.07 H new ATOM 0 HB THR A 147 -9.409 9.802 -1.155 1.00 1.20 H new ATOM 0 HG1 THR A 147 -11.222 8.536 0.188 1.00 1.79 H new ATOM 0 HG21 THR A 147 -9.206 8.856 1.119 1.00 1.52 H new ATOM 0 HG22 THR A 147 -8.560 10.512 1.036 1.00 1.52 H new ATOM 0 HG23 THR A 147 -10.157 10.215 1.764 1.00 1.52 H new ATOM 2095 N ASP A 148 -10.180 13.090 -2.459 1.00 0.94 N ATOM 2096 CA ASP A 148 -10.104 13.476 -3.859 1.00 1.01 C ATOM 2097 C ASP A 148 -8.719 14.022 -4.173 1.00 0.89 C ATOM 2098 O ASP A 148 -7.939 13.382 -4.872 1.00 0.88 O ATOM 2099 CB ASP A 148 -11.183 14.506 -4.197 1.00 1.33 C ATOM 2100 CG ASP A 148 -11.182 14.879 -5.664 1.00 1.89 C ATOM 2101 OD1 ASP A 148 -11.708 14.098 -6.481 1.00 2.20 O ATOM 2102 OD2 ASP A 148 -10.645 15.951 -6.007 1.00 2.54 O ATOM 0 H ASP A 148 -9.919 13.826 -1.802 1.00 0.94 H new ATOM 0 HA ASP A 148 -10.280 12.594 -4.475 1.00 1.01 H new ATOM 0 HB2 ASP A 148 -12.161 14.107 -3.927 1.00 1.33 H new ATOM 0 HB3 ASP A 148 -11.027 15.402 -3.596 1.00 1.33 H new ATOM 2107 N SER A 149 -8.404 15.195 -3.636 1.00 0.95 N ATOM 2108 CA SER A 149 -7.063 15.751 -3.766 1.00 1.01 C ATOM 2109 C SER A 149 -6.120 15.048 -2.798 1.00 0.85 C ATOM 2110 O SER A 149 -4.901 15.054 -2.967 1.00 1.07 O ATOM 2111 CB SER A 149 -7.086 17.252 -3.474 1.00 1.27 C ATOM 2112 OG SER A 149 -8.072 17.906 -4.254 1.00 1.53 O ATOM 0 H SER A 149 -9.055 15.777 -3.109 1.00 0.95 H new ATOM 0 HA SER A 149 -6.711 15.597 -4.786 1.00 1.01 H new ATOM 0 HB2 SER A 149 -7.286 17.417 -2.415 1.00 1.27 H new ATOM 0 HB3 SER A 149 -6.107 17.682 -3.684 1.00 1.27 H new ATOM 0 HG SER A 149 -8.069 18.864 -4.049 1.00 1.53 H new ATOM 2118 N THR A 150 -6.710 14.441 -1.783 1.00 0.63 N ATOM 2119 CA THR A 150 -5.968 13.730 -0.763 1.00 0.67 C ATOM 2120 C THR A 150 -6.046 12.223 -0.980 1.00 0.56 C ATOM 2121 O THR A 150 -5.784 11.440 -0.067 1.00 0.64 O ATOM 2122 CB THR A 150 -6.530 14.072 0.625 1.00 0.92 C ATOM 2123 OG1 THR A 150 -7.963 14.001 0.591 1.00 1.15 O ATOM 2124 CG2 THR A 150 -6.093 15.462 1.059 1.00 1.26 C ATOM 0 H THR A 150 -7.721 14.429 -1.645 1.00 0.63 H new ATOM 0 HA THR A 150 -4.925 14.038 -0.827 1.00 0.67 H new ATOM 0 HB THR A 150 -6.143 13.351 1.345 1.00 0.92 H new ATOM 0 HG1 THR A 150 -8.323 14.830 0.212 1.00 1.15 H new ATOM 0 HG21 THR A 150 -6.503 15.681 2.045 1.00 1.26 H new ATOM 0 HG22 THR A 150 -5.005 15.505 1.101 1.00 1.26 H new ATOM 0 HG23 THR A 150 -6.457 16.198 0.342 1.00 1.26 H new ATOM 2132 N ASN A 151 -6.389 11.819 -2.194 1.00 0.49 N ATOM 2133 CA ASN A 151 -6.556 10.405 -2.494 1.00 0.47 C ATOM 2134 C ASN A 151 -5.207 9.744 -2.760 1.00 0.44 C ATOM 2135 O ASN A 151 -4.707 9.747 -3.884 1.00 0.59 O ATOM 2136 CB ASN A 151 -7.480 10.207 -3.695 1.00 0.57 C ATOM 2137 CG ASN A 151 -7.841 8.748 -3.910 1.00 0.69 C ATOM 2138 OD1 ASN A 151 -7.931 7.971 -2.960 1.00 1.21 O ATOM 2139 ND2 ASN A 151 -8.042 8.363 -5.162 1.00 0.79 N ATOM 0 H ASN A 151 -6.556 12.445 -2.982 1.00 0.49 H new ATOM 0 HA ASN A 151 -7.011 9.933 -1.623 1.00 0.47 H new ATOM 0 HB2 ASN A 151 -8.391 10.787 -3.549 1.00 0.57 H new ATOM 0 HB3 ASN A 151 -6.996 10.595 -4.591 1.00 0.57 H new ATOM 0 HD21 ASN A 151 -8.281 7.392 -5.365 1.00 0.79 H new ATOM 0 HD22 ASN A 151 -7.958 9.037 -5.923 1.00 0.79 H new ATOM 2146 N LYS A 152 -4.600 9.225 -1.701 1.00 0.41 N ATOM 2147 CA LYS A 152 -3.384 8.434 -1.820 1.00 0.41 C ATOM 2148 C LYS A 152 -3.269 7.489 -0.646 1.00 0.39 C ATOM 2149 O LYS A 152 -3.623 7.829 0.488 1.00 0.48 O ATOM 2150 CB LYS A 152 -2.119 9.297 -1.909 1.00 0.48 C ATOM 2151 CG LYS A 152 -1.733 10.023 -0.622 1.00 0.67 C ATOM 2152 CD LYS A 152 -2.658 11.183 -0.302 1.00 0.85 C ATOM 2153 CE LYS A 152 -2.236 11.880 0.978 1.00 0.82 C ATOM 2154 NZ LYS A 152 -3.059 13.082 1.257 1.00 1.35 N ATOM 0 H LYS A 152 -4.933 9.339 -0.744 1.00 0.41 H new ATOM 0 HA LYS A 152 -3.460 7.874 -2.752 1.00 0.41 H new ATOM 0 HB2 LYS A 152 -1.286 8.662 -2.212 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -2.259 10.037 -2.697 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -1.745 9.315 0.207 1.00 0.67 H new ATOM 0 HG3 LYS A 152 -0.711 10.392 -0.711 1.00 0.67 H new ATOM 0 HD2 LYS A 152 -2.652 11.895 -1.127 1.00 0.85 H new ATOM 0 HD3 LYS A 152 -3.681 10.820 -0.202 1.00 0.85 H new ATOM 0 HE2 LYS A 152 -2.317 11.184 1.813 1.00 0.82 H new ATOM 0 HE3 LYS A 152 -1.187 12.168 0.904 1.00 0.82 H new ATOM 0 HZ1 LYS A 152 -2.558 13.697 1.930 1.00 1.35 H new ATOM 0 HZ2 LYS A 152 -3.226 13.601 0.372 1.00 1.35 H new ATOM 0 HZ3 LYS A 152 -3.970 12.792 1.665 1.00 1.35 H new ATOM 2168 N VAL A 153 -2.780 6.301 -0.920 1.00 0.36 N ATOM 2169 CA VAL A 153 -2.685 5.279 0.105 1.00 0.37 C ATOM 2170 C VAL A 153 -1.402 4.456 -0.007 1.00 0.35 C ATOM 2171 O VAL A 153 -1.149 3.794 -1.013 1.00 0.43 O ATOM 2172 CB VAL A 153 -3.927 4.350 0.087 1.00 0.43 C ATOM 2173 CG1 VAL A 153 -4.229 3.858 -1.318 1.00 1.18 C ATOM 2174 CG2 VAL A 153 -3.741 3.174 1.031 1.00 1.32 C ATOM 0 H VAL A 153 -2.442 6.016 -1.839 1.00 0.36 H new ATOM 0 HA VAL A 153 -2.653 5.802 1.061 1.00 0.37 H new ATOM 0 HB VAL A 153 -4.779 4.937 0.431 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -5.105 3.209 -1.296 1.00 1.18 H new ATOM 0 HG12 VAL A 153 -4.425 4.711 -1.968 1.00 1.18 H new ATOM 0 HG13 VAL A 153 -3.374 3.300 -1.700 1.00 1.18 H new ATOM 0 HG21 VAL A 153 -4.626 2.538 0.999 1.00 1.32 H new ATOM 0 HG22 VAL A 153 -2.868 2.597 0.725 1.00 1.32 H new ATOM 0 HG23 VAL A 153 -3.595 3.542 2.046 1.00 1.32 H new ATOM 2184 N THR A 154 -0.559 4.554 1.007 1.00 0.35 N ATOM 2185 CA THR A 154 0.515 3.591 1.194 1.00 0.38 C ATOM 2186 C THR A 154 -0.046 2.316 1.833 1.00 0.37 C ATOM 2187 O THR A 154 -0.747 2.398 2.845 1.00 0.47 O ATOM 2188 CB THR A 154 1.601 4.169 2.124 1.00 0.52 C ATOM 2189 OG1 THR A 154 1.204 4.046 3.496 1.00 0.94 O ATOM 2190 CG2 THR A 154 1.838 5.638 1.836 1.00 0.96 C ATOM 0 H THR A 154 -0.597 5.289 1.713 1.00 0.35 H new ATOM 0 HA THR A 154 0.952 3.367 0.221 1.00 0.38 H new ATOM 0 HB THR A 154 2.516 3.605 1.942 1.00 0.52 H new ATOM 0 HG1 THR A 154 0.270 3.754 3.541 1.00 0.94 H new ATOM 0 HG21 THR A 154 2.608 6.020 2.506 1.00 0.96 H new ATOM 0 HG22 THR A 154 2.163 5.758 0.803 1.00 0.96 H new ATOM 0 HG23 THR A 154 0.913 6.193 1.992 1.00 0.96 H new ATOM 2198 N TYR A 155 0.220 1.141 1.262 1.00 0.35 N ATOM 2199 CA TYR A 155 -0.238 -0.082 1.915 1.00 0.38 C ATOM 2200 C TYR A 155 0.683 -1.270 1.662 1.00 0.38 C ATOM 2201 O TYR A 155 1.012 -1.606 0.525 1.00 0.61 O ATOM 2202 CB TYR A 155 -1.685 -0.413 1.519 1.00 0.41 C ATOM 2203 CG TYR A 155 -1.886 -0.969 0.123 1.00 0.43 C ATOM 2204 CD1 TYR A 155 -1.646 -0.199 -1.008 1.00 0.50 C ATOM 2205 CD2 TYR A 155 -2.337 -2.275 -0.054 1.00 0.53 C ATOM 2206 CE1 TYR A 155 -1.844 -0.715 -2.275 1.00 0.61 C ATOM 2207 CE2 TYR A 155 -2.537 -2.797 -1.316 1.00 0.63 C ATOM 2208 CZ TYR A 155 -2.289 -2.014 -2.422 1.00 0.65 C ATOM 2209 OH TYR A 155 -2.479 -2.534 -3.684 1.00 0.79 O ATOM 0 H TYR A 155 0.728 1.012 0.387 1.00 0.35 H new ATOM 0 HA TYR A 155 -0.208 0.112 2.987 1.00 0.38 H new ATOM 0 HB2 TYR A 155 -2.080 -1.134 2.235 1.00 0.41 H new ATOM 0 HB3 TYR A 155 -2.283 0.493 1.616 1.00 0.41 H new ATOM 0 HD1 TYR A 155 -1.300 0.818 -0.896 1.00 0.50 H new ATOM 0 HD2 TYR A 155 -2.534 -2.890 0.812 1.00 0.53 H new ATOM 0 HE1 TYR A 155 -1.652 -0.105 -3.145 1.00 0.61 H new ATOM 0 HE2 TYR A 155 -2.885 -3.812 -1.436 1.00 0.63 H new ATOM 0 HH TYR A 155 -2.793 -3.460 -3.613 1.00 0.79 H new ATOM 2219 N PHE A 156 1.104 -1.898 2.748 1.00 0.41 N ATOM 2220 CA PHE A 156 1.883 -3.119 2.667 1.00 0.44 C ATOM 2221 C PHE A 156 0.945 -4.300 2.495 1.00 0.46 C ATOM 2222 O PHE A 156 -0.054 -4.414 3.203 1.00 0.46 O ATOM 2223 CB PHE A 156 2.725 -3.313 3.926 1.00 0.44 C ATOM 2224 CG PHE A 156 3.931 -2.433 4.011 1.00 0.45 C ATOM 2225 CD1 PHE A 156 3.811 -1.067 4.219 1.00 0.53 C ATOM 2226 CD2 PHE A 156 5.193 -2.984 3.887 1.00 0.55 C ATOM 2227 CE1 PHE A 156 4.933 -0.266 4.299 1.00 0.61 C ATOM 2228 CE2 PHE A 156 6.319 -2.188 3.968 1.00 0.62 C ATOM 2229 CZ PHE A 156 6.188 -0.828 4.173 1.00 0.62 C ATOM 0 H PHE A 156 0.917 -1.579 3.699 1.00 0.41 H new ATOM 0 HA PHE A 156 2.556 -3.048 1.812 1.00 0.44 H new ATOM 0 HB2 PHE A 156 2.097 -3.132 4.798 1.00 0.44 H new ATOM 0 HB3 PHE A 156 3.047 -4.353 3.975 1.00 0.44 H new ATOM 0 HD1 PHE A 156 2.831 -0.625 4.319 1.00 0.53 H new ATOM 0 HD2 PHE A 156 5.299 -4.047 3.725 1.00 0.55 H new ATOM 0 HE1 PHE A 156 4.829 0.797 4.460 1.00 0.61 H new ATOM 0 HE2 PHE A 156 7.300 -2.628 3.871 1.00 0.62 H new ATOM 0 HZ PHE A 156 7.067 -0.204 4.235 1.00 0.62 H new ATOM 2239 N MET A 157 1.265 -5.187 1.579 1.00 0.59 N ATOM 2240 CA MET A 157 0.368 -6.282 1.264 1.00 0.68 C ATOM 2241 C MET A 157 1.148 -7.578 1.109 1.00 0.82 C ATOM 2242 O MET A 157 2.222 -7.591 0.513 1.00 1.12 O ATOM 2243 CB MET A 157 -0.424 -5.949 -0.006 1.00 0.83 C ATOM 2244 CG MET A 157 -1.475 -6.981 -0.374 1.00 1.47 C ATOM 2245 SD MET A 157 -2.519 -6.449 -1.746 1.00 2.50 S ATOM 2246 CE MET A 157 -3.562 -7.892 -1.951 1.00 3.27 C ATOM 0 H MET A 157 2.132 -5.174 1.042 1.00 0.59 H new ATOM 0 HA MET A 157 -0.338 -6.420 2.083 1.00 0.68 H new ATOM 0 HB2 MET A 157 -0.911 -4.983 0.126 1.00 0.83 H new ATOM 0 HB3 MET A 157 0.273 -5.844 -0.838 1.00 0.83 H new ATOM 0 HG2 MET A 157 -0.983 -7.917 -0.638 1.00 1.47 H new ATOM 0 HG3 MET A 157 -2.100 -7.184 0.496 1.00 1.47 H new ATOM 0 HE1 MET A 157 -4.265 -7.720 -2.766 1.00 3.27 H new ATOM 0 HE2 MET A 157 -2.943 -8.758 -2.183 1.00 3.27 H new ATOM 0 HE3 MET A 157 -4.113 -8.077 -1.029 1.00 3.27 H new ATOM 2256 N LYS A 158 0.633 -8.639 1.710 1.00 0.75 N ATOM 2257 CA LYS A 158 1.228 -9.959 1.582 1.00 0.96 C ATOM 2258 C LYS A 158 0.461 -10.777 0.543 1.00 1.43 C ATOM 2259 O LYS A 158 -0.532 -11.435 0.929 1.00 1.89 O ATOM 2260 CB LYS A 158 1.192 -10.674 2.934 1.00 0.95 C ATOM 2261 CG LYS A 158 1.951 -11.991 2.956 1.00 1.11 C ATOM 2262 CD LYS A 158 1.300 -12.984 3.904 1.00 1.49 C ATOM 2263 CE LYS A 158 -0.046 -13.440 3.366 1.00 1.88 C ATOM 2264 NZ LYS A 158 -0.786 -14.278 4.342 1.00 2.24 N ATOM 2265 OXT LYS A 158 0.841 -10.745 -0.643 1.00 2.11 O ATOM 0 H LYS A 158 -0.202 -8.610 2.295 1.00 0.75 H new ATOM 0 HA LYS A 158 2.264 -9.854 1.258 1.00 0.96 H new ATOM 0 HB2 LYS A 158 1.609 -10.013 3.694 1.00 0.95 H new ATOM 0 HB3 LYS A 158 0.153 -10.860 3.208 1.00 0.95 H new ATOM 0 HG2 LYS A 158 1.984 -12.412 1.951 1.00 1.11 H new ATOM 0 HG3 LYS A 158 2.982 -11.815 3.262 1.00 1.11 H new ATOM 0 HD2 LYS A 158 1.953 -13.846 4.040 1.00 1.49 H new ATOM 0 HD3 LYS A 158 1.169 -12.526 4.884 1.00 1.49 H new ATOM 0 HE2 LYS A 158 -0.647 -12.568 3.110 1.00 1.88 H new ATOM 0 HE3 LYS A 158 0.105 -14.005 2.446 1.00 1.88 H new ATOM 0 HZ1 LYS A 158 -1.038 -15.185 3.900 1.00 2.24 H new ATOM 0 HZ2 LYS A 158 -0.187 -14.453 5.174 1.00 2.24 H new ATOM 0 HZ3 LYS A 158 -1.653 -13.784 4.637 1.00 2.24 H new