USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 955 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 21 SER OG : rot 124:sc= 0.134 USER MOD Set 1.2: A 48 HIS : no HE2:sc= -2.7! K(o=-2.8!,f=-3.4) USER MOD Set 1.3: A 82 THR OG1 : rot 143:sc= -0.242 USER MOD Set 2.1: A 73 TYR OH : rot 75:sc= 2.19 USER MOD Set 2.2: A 115 TYR OH : rot -172:sc= 1.03 USER MOD Set 3.1: A 30 MET CE :methyl 153:sc= -5.35! (180deg=-5.8!) USER MOD Set 3.2: A 35 MET CE :methyl -116:sc= -3.84! (180deg=-7.43!) USER MOD Single : A 1 LYS N :NH3+ 152:sc= -0.746 (180deg=-1.81!) USER MOD Single : A 1 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0456) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -6.2! C(o=-6.2!,f=-14!) USER MOD Single : A 11 GLN : amide:sc= -0.365 K(o=-0.36,f=-4!) USER MOD Single : A 12 HIS :FLIP no HE2:sc= -2.11 F(o=-5.5,f=-2.1) USER MOD Single : A 13 MET CE :methyl -170:sc= -1.36 (180deg=-1.57) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.152 USER MOD Single : A 20 SER OG : rot -63:sc= 0.844 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 25 TYR OH : rot -119:sc= 0.912 USER MOD Single : A 27 ASN : amide:sc= -6.65! C(o=-6.7!,f=-6.4!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl -166:sc= -3.73! (180deg=-4.77!) USER MOD Single : A 34 ASN : amide:sc= -0.501 K(o=-0.5,f=-3.6!) USER MOD Single : A 36 THR OG1 : rot 90:sc= -2.15 USER MOD Single : A 37 GLN : amide:sc= -0.0945 K(o=-0.095,f=-0.6) USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= -0.388 (180deg=-0.458) USER MOD Single : A 44 ASN : amide:sc= -9.92! C(o=-9.9!,f=-17!) USER MOD Single : A 45 THR OG1 : rot -21:sc= 0.378 USER MOD Single : A 55 GLN :FLIP amide:sc= -2.45 F(o=-6.3!,f=-2.4) USER MOD Single : A 56 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.2!) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.713 F(o=-2.3,f=-0.71) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -2.05 K(o=-2.1,f=-8.1!) USER MOD Single : A 69 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.5) USER MOD Single : A 71 ASN :FLIP amide:sc= -1.94 F(o=-4.3!,f=-1.9) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 105:sc= 1.27 USER MOD Single : A 76 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -123:sc= -0.907 (180deg=-2.08) USER MOD Single : A 80 HIS : no HD1:sc= -0.0533 X(o=-0.053,f=-0.44) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot -110:sc= -0.507 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.892 K(o=-0.89,f=-3!) USER MOD Single : A 97 TYR OH : rot 52:sc= -0.558 USER MOD Single : A 99 THR OG1 : rot 130:sc= 1.54 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS :FLIP no HD1:sc= -2.53! C(o=-3.6!,f=-2.5!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS :FLIP no HD1:sc= -3.48! C(o=-4.6!,f=-3.5!) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.329 0.000 0.000 1.00 13.00 N ATOM 2 CA LYS A 1 2.094 -0.002 -1.241 1.00 3.51 C ATOM 3 C LYS A 1 1.403 -0.848 -2.306 1.00 3.55 C ATOM 4 O LYS A 1 2.022 -1.247 -3.291 1.00 41.44 O ATOM 5 CB LYS A 1 3.508 -0.532 -0.991 1.00 40.34 C ATOM 6 CG LYS A 1 4.517 0.556 -0.666 1.00 11.12 C ATOM 7 CD LYS A 1 4.441 0.968 0.795 1.00 60.11 C ATOM 8 CE LYS A 1 3.589 2.215 0.979 1.00 62.51 C ATOM 9 NZ LYS A 1 4.296 3.442 0.519 1.00 11.13 N ATOM 0 H1 LYS A 1 1.973 0.143 0.804 1.00 13.00 H new ATOM 0 H2 LYS A 1 0.629 0.769 -0.025 1.00 13.00 H new ATOM 0 H3 LYS A 1 0.839 -0.911 0.107 1.00 13.00 H new ATOM 0 HA LYS A 1 2.155 1.025 -1.602 1.00 3.51 H new ATOM 0 HB2 LYS A 1 3.479 -1.246 -0.168 1.00 40.34 H new ATOM 0 HB3 LYS A 1 3.844 -1.076 -1.874 1.00 40.34 H new ATOM 0 HG2 LYS A 1 5.522 0.201 -0.893 1.00 11.12 H new ATOM 0 HG3 LYS A 1 4.335 1.424 -1.300 1.00 11.12 H new ATOM 0 HD2 LYS A 1 4.024 0.151 1.383 1.00 60.11 H new ATOM 0 HD3 LYS A 1 5.446 1.153 1.175 1.00 60.11 H new ATOM 0 HE2 LYS A 1 2.657 2.103 0.425 1.00 62.51 H new ATOM 0 HE3 LYS A 1 3.323 2.322 2.031 1.00 62.51 H new ATOM 0 HZ1 LYS A 1 3.787 4.283 0.857 1.00 11.13 H new ATOM 0 HZ2 LYS A 1 5.264 3.448 0.899 1.00 11.13 H new ATOM 0 HZ3 LYS A 1 4.332 3.453 -0.520 1.00 11.13 H new ATOM 23 N GLU A 2 0.118 -1.116 -2.100 1.00 14.44 N ATOM 24 CA GLU A 2 -0.656 -1.914 -3.043 1.00 53.32 C ATOM 25 C GLU A 2 -1.658 -1.044 -3.798 1.00 63.31 C ATOM 26 O GLU A 2 -1.988 0.059 -3.365 1.00 14.34 O ATOM 27 CB GLU A 2 -1.391 -3.039 -2.311 1.00 51.23 C ATOM 28 CG GLU A 2 -1.581 -4.290 -3.153 1.00 13.44 C ATOM 29 CD GLU A 2 -2.900 -4.985 -2.874 1.00 24.20 C ATOM 30 OE1 GLU A 2 -3.796 -4.343 -2.287 1.00 23.45 O ATOM 31 OE2 GLU A 2 -3.035 -6.170 -3.243 1.00 34.44 O ATOM 0 H GLU A 2 -0.409 -0.792 -1.289 1.00 14.44 H new ATOM 0 HA GLU A 2 0.036 -2.350 -3.763 1.00 53.32 H new ATOM 0 HB2 GLU A 2 -0.835 -3.299 -1.410 1.00 51.23 H new ATOM 0 HB3 GLU A 2 -2.367 -2.675 -1.990 1.00 51.23 H new ATOM 0 HG2 GLU A 2 -1.531 -4.024 -4.209 1.00 13.44 H new ATOM 0 HG3 GLU A 2 -0.762 -4.982 -2.959 1.00 13.44 H new ATOM 38 N SER A 3 -2.136 -1.550 -4.930 1.00 71.04 N ATOM 39 CA SER A 3 -3.096 -0.819 -5.749 1.00 11.32 C ATOM 40 C SER A 3 -4.185 -1.750 -6.272 1.00 61.52 C ATOM 41 O SER A 3 -4.137 -2.962 -6.057 1.00 11.44 O ATOM 42 CB SER A 3 -2.385 -0.138 -6.920 1.00 55.40 C ATOM 43 OG SER A 3 -3.106 0.999 -7.363 1.00 14.35 O ATOM 0 H SER A 3 -1.874 -2.463 -5.301 1.00 71.04 H new ATOM 0 HA SER A 3 -3.563 -0.058 -5.124 1.00 11.32 H new ATOM 0 HB2 SER A 3 -1.381 0.160 -6.617 1.00 55.40 H new ATOM 0 HB3 SER A 3 -2.273 -0.845 -7.742 1.00 55.40 H new ATOM 0 HG SER A 3 -2.630 1.417 -8.111 1.00 14.35 H new ATOM 49 N ARG A 4 -5.166 -1.176 -6.961 1.00 64.11 N ATOM 50 CA ARG A 4 -6.268 -1.954 -7.515 1.00 4.34 C ATOM 51 C ARG A 4 -5.888 -2.547 -8.869 1.00 14.54 C ATOM 52 O ARG A 4 -5.873 -3.765 -9.041 1.00 42.24 O ATOM 53 CB ARG A 4 -7.514 -1.079 -7.660 1.00 34.41 C ATOM 54 CG ARG A 4 -8.693 -1.800 -8.294 1.00 11.12 C ATOM 55 CD ARG A 4 -10.011 -1.368 -7.670 1.00 50.44 C ATOM 56 NE ARG A 4 -10.426 -2.261 -6.592 1.00 64.01 N ATOM 57 CZ ARG A 4 -11.430 -1.997 -5.764 1.00 3.44 C ATOM 58 NH1 ARG A 4 -12.118 -0.871 -5.890 1.00 15.33 N ATOM 59 NH2 ARG A 4 -11.747 -2.860 -4.807 1.00 1.51 N ATOM 0 H ARG A 4 -5.220 -0.175 -7.149 1.00 64.11 H new ATOM 0 HA ARG A 4 -6.485 -2.772 -6.828 1.00 4.34 H new ATOM 0 HB2 ARG A 4 -7.808 -0.714 -6.676 1.00 34.41 H new ATOM 0 HB3 ARG A 4 -7.266 -0.205 -8.263 1.00 34.41 H new ATOM 0 HG2 ARG A 4 -8.712 -1.597 -9.365 1.00 11.12 H new ATOM 0 HG3 ARG A 4 -8.569 -2.876 -8.176 1.00 11.12 H new ATOM 0 HD2 ARG A 4 -9.913 -0.354 -7.283 1.00 50.44 H new ATOM 0 HD3 ARG A 4 -10.784 -1.343 -8.438 1.00 50.44 H new ATOM 0 HE ARG A 4 -9.917 -3.136 -6.468 1.00 64.01 H new ATOM 0 HH11 ARG A 4 -11.877 -0.205 -6.624 1.00 15.33 H new ATOM 0 HH12 ARG A 4 -12.889 -0.670 -5.253 1.00 15.33 H new ATOM 0 HH21 ARG A 4 -11.219 -3.727 -4.707 1.00 1.51 H new ATOM 0 HH22 ARG A 4 -12.518 -2.656 -4.172 1.00 1.51 H new ATOM 73 N ALA A 5 -5.584 -1.676 -9.826 1.00 10.05 N ATOM 74 CA ALA A 5 -5.204 -2.113 -11.163 1.00 63.10 C ATOM 75 C ALA A 5 -4.196 -3.256 -11.101 1.00 44.43 C ATOM 76 O ALA A 5 -4.372 -4.289 -11.747 1.00 33.13 O ATOM 77 CB ALA A 5 -4.635 -0.947 -11.957 1.00 44.15 C ATOM 0 H ALA A 5 -5.594 -0.664 -9.700 1.00 10.05 H new ATOM 0 HA ALA A 5 -6.098 -2.479 -11.667 1.00 63.10 H new ATOM 0 HB1 ALA A 5 -4.355 -1.288 -12.954 1.00 44.15 H new ATOM 0 HB2 ALA A 5 -5.386 -0.162 -12.039 1.00 44.15 H new ATOM 0 HB3 ALA A 5 -3.755 -0.555 -11.447 1.00 44.15 H new ATOM 83 N LYS A 6 -3.137 -3.063 -10.321 1.00 72.15 N ATOM 84 CA LYS A 6 -2.100 -4.077 -10.174 1.00 70.23 C ATOM 85 C LYS A 6 -2.714 -5.450 -9.921 1.00 22.45 C ATOM 86 O LYS A 6 -2.304 -6.445 -10.519 1.00 74.31 O ATOM 87 CB LYS A 6 -1.157 -3.709 -9.027 1.00 44.41 C ATOM 88 CG LYS A 6 0.043 -2.887 -9.466 1.00 50.02 C ATOM 89 CD LYS A 6 -0.373 -1.507 -9.949 1.00 24.33 C ATOM 90 CE LYS A 6 0.732 -0.484 -9.730 1.00 73.42 C ATOM 91 NZ LYS A 6 0.471 0.780 -10.472 1.00 10.32 N ATOM 0 H LYS A 6 -2.975 -2.213 -9.781 1.00 72.15 H new ATOM 0 HA LYS A 6 -1.532 -4.118 -11.104 1.00 70.23 H new ATOM 0 HB2 LYS A 6 -1.714 -3.150 -8.275 1.00 44.41 H new ATOM 0 HB3 LYS A 6 -0.805 -4.623 -8.549 1.00 44.41 H new ATOM 0 HG2 LYS A 6 0.741 -2.787 -8.635 1.00 50.02 H new ATOM 0 HG3 LYS A 6 0.571 -3.409 -10.264 1.00 50.02 H new ATOM 0 HD2 LYS A 6 -0.624 -1.552 -11.009 1.00 24.33 H new ATOM 0 HD3 LYS A 6 -1.273 -1.191 -9.421 1.00 24.33 H new ATOM 0 HE2 LYS A 6 0.822 -0.268 -8.665 1.00 73.42 H new ATOM 0 HE3 LYS A 6 1.685 -0.904 -10.052 1.00 73.42 H new ATOM 0 HZ1 LYS A 6 1.246 1.451 -10.297 1.00 10.32 H new ATOM 0 HZ2 LYS A 6 0.410 0.578 -11.490 1.00 10.32 H new ATOM 0 HZ3 LYS A 6 -0.426 1.194 -10.147 1.00 10.32 H new ATOM 105 N LYS A 7 -3.699 -5.498 -9.030 1.00 52.44 N ATOM 106 CA LYS A 7 -4.372 -6.748 -8.699 1.00 12.21 C ATOM 107 C LYS A 7 -4.997 -7.375 -9.941 1.00 34.12 C ATOM 108 O LYS A 7 -4.990 -8.596 -10.103 1.00 12.44 O ATOM 109 CB LYS A 7 -5.450 -6.506 -7.639 1.00 44.44 C ATOM 110 CG LYS A 7 -6.188 -7.766 -7.223 1.00 61.15 C ATOM 111 CD LYS A 7 -5.755 -8.237 -5.845 1.00 42.12 C ATOM 112 CE LYS A 7 -6.245 -7.296 -4.755 1.00 72.32 C ATOM 113 NZ LYS A 7 -7.570 -7.713 -4.218 1.00 10.22 N ATOM 0 H LYS A 7 -4.049 -4.684 -8.524 1.00 52.44 H new ATOM 0 HA LYS A 7 -3.628 -7.438 -8.301 1.00 12.21 H new ATOM 0 HB2 LYS A 7 -4.988 -6.058 -6.759 1.00 44.44 H new ATOM 0 HB3 LYS A 7 -6.170 -5.784 -8.024 1.00 44.44 H new ATOM 0 HG2 LYS A 7 -7.261 -7.577 -7.223 1.00 61.15 H new ATOM 0 HG3 LYS A 7 -6.003 -8.554 -7.953 1.00 61.15 H new ATOM 0 HD2 LYS A 7 -6.143 -9.239 -5.663 1.00 42.12 H new ATOM 0 HD3 LYS A 7 -4.668 -8.304 -5.807 1.00 42.12 H new ATOM 0 HE2 LYS A 7 -5.517 -7.268 -3.944 1.00 72.32 H new ATOM 0 HE3 LYS A 7 -6.317 -6.284 -5.154 1.00 72.32 H new ATOM 0 HZ1 LYS A 7 -7.870 -7.047 -3.478 1.00 10.22 H new ATOM 0 HZ2 LYS A 7 -8.271 -7.715 -4.986 1.00 10.22 H new ATOM 0 HZ3 LYS A 7 -7.496 -8.669 -3.815 1.00 10.22 H new ATOM 127 N PHE A 8 -5.536 -6.533 -10.816 1.00 15.20 N ATOM 128 CA PHE A 8 -6.165 -7.005 -12.044 1.00 34.11 C ATOM 129 C PHE A 8 -5.146 -7.691 -12.948 1.00 44.24 C ATOM 130 O PHE A 8 -5.460 -8.670 -13.624 1.00 31.32 O ATOM 131 CB PHE A 8 -6.821 -5.839 -12.787 1.00 62.44 C ATOM 132 CG PHE A 8 -7.357 -6.216 -14.139 1.00 42.10 C ATOM 133 CD1 PHE A 8 -8.551 -6.909 -14.257 1.00 2.11 C ATOM 134 CD2 PHE A 8 -6.667 -5.876 -15.292 1.00 20.44 C ATOM 135 CE1 PHE A 8 -9.046 -7.257 -15.499 1.00 63.24 C ATOM 136 CE2 PHE A 8 -7.157 -6.222 -16.537 1.00 52.31 C ATOM 137 CZ PHE A 8 -8.349 -6.912 -16.641 1.00 23.11 C ATOM 0 H PHE A 8 -5.550 -5.520 -10.698 1.00 15.20 H new ATOM 0 HA PHE A 8 -6.931 -7.732 -11.774 1.00 34.11 H new ATOM 0 HB2 PHE A 8 -7.635 -5.443 -12.180 1.00 62.44 H new ATOM 0 HB3 PHE A 8 -6.092 -5.037 -12.905 1.00 62.44 H new ATOM 0 HD1 PHE A 8 -9.101 -7.180 -13.368 1.00 2.11 H new ATOM 0 HD2 PHE A 8 -5.736 -5.334 -15.217 1.00 20.44 H new ATOM 0 HE1 PHE A 8 -9.977 -7.798 -15.577 1.00 63.24 H new ATOM 0 HE2 PHE A 8 -6.608 -5.953 -17.428 1.00 52.31 H new ATOM 0 HZ PHE A 8 -8.735 -7.181 -17.613 1.00 23.11 H new ATOM 147 N GLN A 9 -3.924 -7.168 -12.955 1.00 43.24 N ATOM 148 CA GLN A 9 -2.858 -7.729 -13.778 1.00 10.44 C ATOM 149 C GLN A 9 -2.576 -9.177 -13.390 1.00 54.44 C ATOM 150 O GLN A 9 -2.688 -10.083 -14.216 1.00 43.11 O ATOM 151 CB GLN A 9 -1.584 -6.894 -13.637 1.00 40.34 C ATOM 152 CG GLN A 9 -1.505 -5.734 -14.617 1.00 74.34 C ATOM 153 CD GLN A 9 -2.867 -5.154 -14.946 1.00 31.33 C ATOM 154 OE1 GLN A 9 -3.650 -5.756 -15.682 1.00 44.52 O ATOM 155 NE2 GLN A 9 -3.158 -3.979 -14.399 1.00 63.44 N ATOM 0 H GLN A 9 -3.647 -6.358 -12.401 1.00 43.24 H new ATOM 0 HA GLN A 9 -3.186 -7.707 -14.817 1.00 10.44 H new ATOM 0 HB2 GLN A 9 -1.525 -6.505 -12.621 1.00 40.34 H new ATOM 0 HB3 GLN A 9 -0.718 -7.540 -13.781 1.00 40.34 H new ATOM 0 HG2 GLN A 9 -0.873 -4.951 -14.198 1.00 74.34 H new ATOM 0 HG3 GLN A 9 -1.027 -6.072 -15.536 1.00 74.34 H new ATOM 0 HE21 GLN A 9 -2.479 -3.515 -13.795 1.00 63.44 H new ATOM 0 HE22 GLN A 9 -4.060 -3.540 -14.583 1.00 63.44 H new ATOM 164 N ARG A 10 -2.211 -9.387 -12.130 1.00 41.50 N ATOM 165 CA ARG A 10 -1.912 -10.724 -11.634 1.00 63.40 C ATOM 166 C ARG A 10 -3.191 -11.535 -11.450 1.00 55.13 C ATOM 167 O ARG A 10 -3.162 -12.648 -10.926 1.00 61.03 O ATOM 168 CB ARG A 10 -1.153 -10.642 -10.308 1.00 63.14 C ATOM 169 CG ARG A 10 0.341 -10.414 -10.475 1.00 13.32 C ATOM 170 CD ARG A 10 1.039 -10.292 -9.129 1.00 61.35 C ATOM 171 NE ARG A 10 2.480 -10.102 -9.276 1.00 33.23 N ATOM 172 CZ ARG A 10 3.361 -10.410 -8.331 1.00 63.10 C ATOM 173 NH1 ARG A 10 2.951 -10.921 -7.178 1.00 43.41 N ATOM 174 NH2 ARG A 10 4.656 -10.208 -8.539 1.00 1.12 N ATOM 0 H ARG A 10 -2.115 -8.648 -11.434 1.00 41.50 H new ATOM 0 HA ARG A 10 -1.287 -11.226 -12.373 1.00 63.40 H new ATOM 0 HB2 ARG A 10 -1.571 -9.833 -9.709 1.00 63.14 H new ATOM 0 HB3 ARG A 10 -1.311 -11.565 -9.751 1.00 63.14 H new ATOM 0 HG2 ARG A 10 0.776 -11.240 -11.038 1.00 13.32 H new ATOM 0 HG3 ARG A 10 0.509 -9.508 -11.057 1.00 13.32 H new ATOM 0 HD2 ARG A 10 0.617 -9.453 -8.576 1.00 61.35 H new ATOM 0 HD3 ARG A 10 0.850 -11.189 -8.540 1.00 61.35 H new ATOM 0 HE ARG A 10 2.828 -9.712 -10.152 1.00 33.23 H new ATOM 0 HH11 ARG A 10 1.957 -11.079 -7.015 1.00 43.41 H new ATOM 0 HH12 ARG A 10 3.630 -11.156 -6.454 1.00 43.41 H new ATOM 0 HH21 ARG A 10 4.975 -9.816 -9.425 1.00 1.12 H new ATOM 0 HH22 ARG A 10 5.332 -10.445 -7.813 1.00 1.12 H new ATOM 188 N GLN A 11 -4.312 -10.968 -11.885 1.00 14.14 N ATOM 189 CA GLN A 11 -5.602 -11.638 -11.766 1.00 51.34 C ATOM 190 C GLN A 11 -5.981 -12.325 -13.074 1.00 44.13 C ATOM 191 O GLN A 11 -6.276 -13.520 -13.097 1.00 22.32 O ATOM 192 CB GLN A 11 -6.687 -10.635 -11.371 1.00 52.40 C ATOM 193 CG GLN A 11 -7.005 -10.636 -9.884 1.00 65.13 C ATOM 194 CD GLN A 11 -8.160 -9.719 -9.533 1.00 63.33 C ATOM 195 OE1 GLN A 11 -8.203 -8.565 -9.959 1.00 4.30 O ATOM 196 NE2 GLN A 11 -9.105 -10.230 -8.753 1.00 1.13 N ATOM 0 H GLN A 11 -4.353 -10.047 -12.322 1.00 14.14 H new ATOM 0 HA GLN A 11 -5.518 -12.397 -10.988 1.00 51.34 H new ATOM 0 HB2 GLN A 11 -6.370 -9.635 -11.665 1.00 52.40 H new ATOM 0 HB3 GLN A 11 -7.597 -10.858 -11.929 1.00 52.40 H new ATOM 0 HG2 GLN A 11 -7.244 -11.652 -9.568 1.00 65.13 H new ATOM 0 HG3 GLN A 11 -6.120 -10.329 -9.327 1.00 65.13 H new ATOM 0 HE21 GLN A 11 -9.029 -11.192 -8.423 1.00 1.13 H new ATOM 0 HE22 GLN A 11 -9.907 -9.661 -8.484 1.00 1.13 H new ATOM 205 N HIS A 12 -5.970 -11.562 -14.163 1.00 13.34 N ATOM 206 CA HIS A 12 -6.312 -12.098 -15.475 1.00 54.44 C ATOM 207 C HIS A 12 -5.129 -11.989 -16.432 1.00 24.22 C ATOM 208 O HIS A 12 -4.891 -12.883 -17.244 1.00 4.14 O ATOM 209 CB HIS A 12 -7.519 -11.358 -16.053 1.00 12.50 C ATOM 210 CG HIS A 12 -8.585 -11.068 -15.041 1.00 61.32 C ATOM 211 ND1 HIS A 12 -8.714 -10.051 -14.158 1.00 73.23 N flip ATOM 212 CD2 HIS A 12 -9.684 -11.879 -14.853 1.00 14.11 C flip ATOM 213 CE1 HIS A 12 -9.878 -10.263 -13.461 1.00 63.25 C flip ATOM 214 NE2 HIS A 12 -10.445 -11.372 -13.899 1.00 12.35 N flip ATOM 0 H HIS A 12 -5.728 -10.571 -14.162 1.00 13.34 H new ATOM 0 HA HIS A 12 -6.564 -13.152 -15.355 1.00 54.44 H new ATOM 0 HB2 HIS A 12 -7.183 -10.419 -16.493 1.00 12.50 H new ATOM 0 HB3 HIS A 12 -7.947 -11.953 -16.860 1.00 12.50 H new ATOM 0 HD1 HIS A 12 -8.067 -9.272 -14.033 1.00 73.23 H new ATOM 0 HD2 HIS A 12 -9.891 -12.787 -15.400 1.00 14.11 H new ATOM 0 HE1 HIS A 12 -10.267 -9.626 -12.681 1.00 63.25 H new ATOM 222 N MET A 13 -4.391 -10.888 -16.330 1.00 62.51 N ATOM 223 CA MET A 13 -3.232 -10.664 -17.186 1.00 63.12 C ATOM 224 C MET A 13 -2.085 -11.594 -16.803 1.00 61.12 C ATOM 225 O MET A 13 -1.451 -11.417 -15.763 1.00 22.21 O ATOM 226 CB MET A 13 -2.775 -9.207 -17.091 1.00 55.15 C ATOM 227 CG MET A 13 -3.870 -8.205 -17.420 1.00 51.23 C ATOM 228 SD MET A 13 -4.497 -8.387 -19.101 1.00 62.21 S ATOM 229 CE MET A 13 -3.056 -7.913 -20.053 1.00 41.51 C ATOM 0 H MET A 13 -4.575 -10.138 -15.664 1.00 62.51 H new ATOM 0 HA MET A 13 -3.524 -10.880 -18.214 1.00 63.12 H new ATOM 0 HB2 MET A 13 -2.408 -9.015 -16.083 1.00 55.15 H new ATOM 0 HB3 MET A 13 -1.936 -9.053 -17.770 1.00 55.15 H new ATOM 0 HG2 MET A 13 -4.692 -8.327 -16.715 1.00 51.23 H new ATOM 0 HG3 MET A 13 -3.484 -7.194 -17.288 1.00 51.23 H new ATOM 0 HE1 MET A 13 -3.333 -7.802 -21.101 1.00 41.51 H new ATOM 0 HE2 MET A 13 -2.668 -6.966 -19.678 1.00 41.51 H new ATOM 0 HE3 MET A 13 -2.289 -8.682 -19.960 1.00 41.51 H new ATOM 239 N ASP A 14 -1.824 -12.584 -17.650 1.00 34.33 N ATOM 240 CA ASP A 14 -0.753 -13.542 -17.400 1.00 12.21 C ATOM 241 C ASP A 14 0.331 -13.435 -18.467 1.00 42.24 C ATOM 242 O ASP A 14 1.166 -14.328 -18.610 1.00 72.24 O ATOM 243 CB ASP A 14 -1.311 -14.965 -17.363 1.00 32.41 C ATOM 244 CG ASP A 14 -1.130 -15.693 -18.681 1.00 11.43 C ATOM 245 OD1 ASP A 14 -2.031 -15.596 -19.541 1.00 5.40 O ATOM 246 OD2 ASP A 14 -0.088 -16.358 -18.852 1.00 64.03 O ATOM 0 H ASP A 14 -2.339 -12.744 -18.516 1.00 34.33 H new ATOM 0 HA ASP A 14 -0.309 -13.309 -16.432 1.00 12.21 H new ATOM 0 HB2 ASP A 14 -0.815 -15.526 -16.571 1.00 32.41 H new ATOM 0 HB3 ASP A 14 -2.371 -14.930 -17.113 1.00 32.41 H new ATOM 251 N SER A 15 0.312 -12.336 -19.215 1.00 72.14 N ATOM 252 CA SER A 15 1.290 -12.114 -20.274 1.00 23.54 C ATOM 253 C SER A 15 2.642 -12.715 -19.898 1.00 74.35 C ATOM 254 O SER A 15 3.294 -13.363 -20.717 1.00 61.12 O ATOM 255 CB SER A 15 1.444 -10.618 -20.550 1.00 10.43 C ATOM 256 OG SER A 15 1.983 -9.944 -19.425 1.00 62.34 O ATOM 0 H SER A 15 -0.370 -11.585 -19.107 1.00 72.14 H new ATOM 0 HA SER A 15 0.930 -12.607 -21.177 1.00 23.54 H new ATOM 0 HB2 SER A 15 2.094 -10.469 -21.413 1.00 10.43 H new ATOM 0 HB3 SER A 15 0.474 -10.190 -20.804 1.00 10.43 H new ATOM 0 HG SER A 15 2.073 -8.989 -19.628 1.00 62.34 H new ATOM 262 N ASP A 16 3.055 -12.495 -18.655 1.00 70.33 N ATOM 263 CA ASP A 16 4.328 -13.015 -18.170 1.00 31.24 C ATOM 264 C ASP A 16 4.644 -14.363 -18.810 1.00 45.01 C ATOM 265 O ASP A 16 5.702 -14.541 -19.414 1.00 22.41 O ATOM 266 CB ASP A 16 4.299 -13.155 -16.647 1.00 15.52 C ATOM 267 CG ASP A 16 5.396 -14.063 -16.127 1.00 52.42 C ATOM 268 OD1 ASP A 16 5.251 -15.297 -16.248 1.00 15.23 O ATOM 269 OD2 ASP A 16 6.399 -13.539 -15.599 1.00 44.02 O ATOM 0 H ASP A 16 2.527 -11.960 -17.965 1.00 70.33 H new ATOM 0 HA ASP A 16 5.110 -12.308 -18.448 1.00 31.24 H new ATOM 0 HB2 ASP A 16 4.402 -12.170 -16.193 1.00 15.52 H new ATOM 0 HB3 ASP A 16 3.330 -13.548 -16.340 1.00 15.52 H new ATOM 274 N SER A 17 3.721 -15.309 -18.673 1.00 71.11 N ATOM 275 CA SER A 17 3.904 -16.643 -19.234 1.00 54.41 C ATOM 276 C SER A 17 3.713 -16.626 -20.748 1.00 2.12 C ATOM 277 O SER A 17 3.149 -15.683 -21.303 1.00 64.12 O ATOM 278 CB SER A 17 2.921 -17.626 -18.596 1.00 30.41 C ATOM 279 OG SER A 17 3.439 -18.153 -17.387 1.00 3.44 O ATOM 0 H SER A 17 2.839 -15.177 -18.178 1.00 71.11 H new ATOM 0 HA SER A 17 4.922 -16.966 -19.017 1.00 54.41 H new ATOM 0 HB2 SER A 17 1.974 -17.123 -18.401 1.00 30.41 H new ATOM 0 HB3 SER A 17 2.713 -18.439 -19.291 1.00 30.41 H new ATOM 0 HG SER A 17 2.791 -18.777 -16.998 1.00 3.44 H new ATOM 285 N SER A 18 4.188 -17.677 -21.409 1.00 50.42 N ATOM 286 CA SER A 18 4.074 -17.782 -22.859 1.00 62.31 C ATOM 287 C SER A 18 2.811 -18.543 -23.251 1.00 24.41 C ATOM 288 O SER A 18 2.140 -19.154 -22.419 1.00 2.35 O ATOM 289 CB SER A 18 5.305 -18.482 -23.439 1.00 3.52 C ATOM 290 OG SER A 18 6.131 -17.565 -24.136 1.00 25.03 O ATOM 0 H SER A 18 4.655 -18.467 -20.964 1.00 50.42 H new ATOM 0 HA SER A 18 4.011 -16.773 -23.268 1.00 62.31 H new ATOM 0 HB2 SER A 18 5.873 -18.950 -22.635 1.00 3.52 H new ATOM 0 HB3 SER A 18 4.991 -19.279 -24.113 1.00 3.52 H new ATOM 0 HG SER A 18 6.912 -18.036 -24.496 1.00 25.03 H new ATOM 296 N PRO A 19 2.479 -18.507 -24.550 1.00 32.32 N ATOM 297 CA PRO A 19 1.295 -19.188 -25.083 1.00 63.32 C ATOM 298 C PRO A 19 1.441 -20.706 -25.062 1.00 21.11 C ATOM 299 O PRO A 19 2.326 -21.245 -24.398 1.00 4.11 O ATOM 300 CB PRO A 19 1.213 -18.679 -26.524 1.00 74.24 C ATOM 301 CG PRO A 19 2.610 -18.298 -26.872 1.00 61.34 C ATOM 302 CD PRO A 19 3.233 -17.799 -25.598 1.00 31.31 C ATOM 0 HA PRO A 19 0.404 -18.980 -24.491 1.00 63.32 H new ATOM 0 HB2 PRO A 19 0.834 -19.450 -27.195 1.00 74.24 H new ATOM 0 HB3 PRO A 19 0.539 -17.827 -26.605 1.00 74.24 H new ATOM 0 HG2 PRO A 19 3.160 -19.152 -27.267 1.00 61.34 H new ATOM 0 HG3 PRO A 19 2.624 -17.526 -27.642 1.00 61.34 H new ATOM 0 HD2 PRO A 19 4.297 -18.031 -25.553 1.00 31.31 H new ATOM 0 HD3 PRO A 19 3.138 -16.718 -25.501 1.00 31.31 H new ATOM 310 N SER A 20 0.567 -21.390 -25.793 1.00 71.20 N ATOM 311 CA SER A 20 0.596 -22.847 -25.855 1.00 45.21 C ATOM 312 C SER A 20 0.352 -23.454 -24.477 1.00 74.42 C ATOM 313 O SER A 20 1.081 -24.345 -24.041 1.00 11.33 O ATOM 314 CB SER A 20 1.941 -23.328 -26.405 1.00 55.35 C ATOM 315 OG SER A 20 1.996 -24.743 -26.452 1.00 12.15 O ATOM 0 H SER A 20 -0.170 -20.959 -26.351 1.00 71.20 H new ATOM 0 HA SER A 20 -0.201 -23.174 -26.523 1.00 45.21 H new ATOM 0 HB2 SER A 20 2.095 -22.922 -27.405 1.00 55.35 H new ATOM 0 HB3 SER A 20 2.749 -22.950 -25.779 1.00 55.35 H new ATOM 0 HG SER A 20 1.921 -25.104 -25.544 1.00 12.15 H new ATOM 321 N SER A 21 -0.681 -22.966 -23.797 1.00 44.10 N ATOM 322 CA SER A 21 -1.021 -23.457 -22.467 1.00 2.02 C ATOM 323 C SER A 21 -2.149 -24.482 -22.538 1.00 2.20 C ATOM 324 O SER A 21 -3.318 -24.125 -22.684 1.00 61.31 O ATOM 325 CB SER A 21 -1.429 -22.294 -21.560 1.00 31.51 C ATOM 326 OG SER A 21 -0.385 -21.343 -21.450 1.00 11.43 O ATOM 0 H SER A 21 -1.297 -22.231 -24.145 1.00 44.10 H new ATOM 0 HA SER A 21 -0.139 -23.942 -22.049 1.00 2.02 H new ATOM 0 HB2 SER A 21 -2.322 -21.814 -21.959 1.00 31.51 H new ATOM 0 HB3 SER A 21 -1.686 -22.673 -20.571 1.00 31.51 H new ATOM 0 HG SER A 21 -0.716 -20.461 -21.721 1.00 11.43 H new ATOM 332 N SER A 22 -1.789 -25.757 -22.434 1.00 23.03 N ATOM 333 CA SER A 22 -2.769 -26.835 -22.490 1.00 21.12 C ATOM 334 C SER A 22 -2.785 -27.624 -21.184 1.00 4.32 C ATOM 335 O SER A 22 -3.841 -28.044 -20.712 1.00 70.24 O ATOM 336 CB SER A 22 -2.462 -27.771 -23.660 1.00 73.34 C ATOM 337 OG SER A 22 -3.544 -28.654 -23.905 1.00 1.43 O ATOM 0 H SER A 22 -0.826 -26.069 -22.310 1.00 23.03 H new ATOM 0 HA SER A 22 -3.753 -26.390 -22.638 1.00 21.12 H new ATOM 0 HB2 SER A 22 -2.258 -27.184 -24.555 1.00 73.34 H new ATOM 0 HB3 SER A 22 -1.561 -28.346 -23.443 1.00 73.34 H new ATOM 0 HG SER A 22 -3.323 -29.241 -24.658 1.00 1.43 H new ATOM 343 N SER A 23 -1.605 -27.820 -20.604 1.00 65.24 N ATOM 344 CA SER A 23 -1.481 -28.561 -19.355 1.00 24.43 C ATOM 345 C SER A 23 -2.416 -27.994 -18.291 1.00 41.14 C ATOM 346 O SER A 23 -3.259 -27.143 -18.578 1.00 43.12 O ATOM 347 CB SER A 23 -0.036 -28.520 -18.854 1.00 4.12 C ATOM 348 OG SER A 23 0.844 -29.131 -19.782 1.00 33.11 O ATOM 0 H SER A 23 -0.721 -27.476 -20.980 1.00 65.24 H new ATOM 0 HA SER A 23 -1.763 -29.596 -19.547 1.00 24.43 H new ATOM 0 HB2 SER A 23 0.266 -27.486 -18.689 1.00 4.12 H new ATOM 0 HB3 SER A 23 0.033 -29.029 -17.893 1.00 4.12 H new ATOM 0 HG SER A 23 1.761 -29.090 -19.439 1.00 33.11 H new ATOM 354 N THR A 24 -2.261 -28.472 -17.060 1.00 55.43 N ATOM 355 CA THR A 24 -3.092 -28.014 -15.953 1.00 62.43 C ATOM 356 C THR A 24 -2.814 -26.552 -15.625 1.00 53.35 C ATOM 357 O THR A 24 -3.154 -26.073 -14.543 1.00 43.11 O ATOM 358 CB THR A 24 -2.861 -28.865 -14.690 1.00 13.43 C ATOM 359 OG1 THR A 24 -1.542 -29.422 -14.708 1.00 13.20 O ATOM 360 CG2 THR A 24 -3.888 -29.983 -14.595 1.00 54.30 C ATOM 0 H THR A 24 -1.568 -29.176 -16.805 1.00 55.43 H new ATOM 0 HA THR A 24 -4.129 -28.121 -16.270 1.00 62.43 H new ATOM 0 HB THR A 24 -2.970 -28.219 -13.819 1.00 13.43 H new ATOM 0 HG1 THR A 24 -1.403 -29.960 -13.901 1.00 13.20 H new ATOM 0 HG21 THR A 24 -3.704 -30.570 -13.695 1.00 54.30 H new ATOM 0 HG22 THR A 24 -4.889 -29.554 -14.551 1.00 54.30 H new ATOM 0 HG23 THR A 24 -3.807 -30.627 -15.471 1.00 54.30 H new ATOM 368 N TYR A 25 -2.196 -25.847 -16.566 1.00 54.53 N ATOM 369 CA TYR A 25 -1.872 -24.438 -16.376 1.00 42.22 C ATOM 370 C TYR A 25 -2.913 -23.753 -15.497 1.00 13.42 C ATOM 371 O TYR A 25 -2.645 -23.418 -14.342 1.00 54.14 O ATOM 372 CB TYR A 25 -1.782 -23.727 -17.728 1.00 3.35 C ATOM 373 CG TYR A 25 -1.420 -22.263 -17.618 1.00 44.25 C ATOM 374 CD1 TYR A 25 -2.355 -21.325 -17.199 1.00 74.11 C ATOM 375 CD2 TYR A 25 -0.143 -21.817 -17.936 1.00 24.04 C ATOM 376 CE1 TYR A 25 -2.029 -19.986 -17.099 1.00 35.35 C ATOM 377 CE2 TYR A 25 0.193 -20.481 -17.837 1.00 14.44 C ATOM 378 CZ TYR A 25 -0.754 -19.569 -17.418 1.00 32.11 C ATOM 379 OH TYR A 25 -0.425 -18.237 -17.319 1.00 44.23 O ATOM 0 H TYR A 25 -1.909 -26.228 -17.468 1.00 54.53 H new ATOM 0 HA TYR A 25 -0.905 -24.378 -15.876 1.00 42.22 H new ATOM 0 HB2 TYR A 25 -1.039 -24.231 -18.346 1.00 3.35 H new ATOM 0 HB3 TYR A 25 -2.739 -23.819 -18.242 1.00 3.35 H new ATOM 0 HD1 TYR A 25 -3.354 -21.648 -16.947 1.00 74.11 H new ATOM 0 HD2 TYR A 25 0.600 -22.528 -18.266 1.00 24.04 H new ATOM 0 HE1 TYR A 25 -2.769 -19.270 -16.773 1.00 35.35 H new ATOM 0 HE2 TYR A 25 1.191 -20.152 -18.086 1.00 14.44 H new ATOM 0 HH TYR A 25 -0.163 -17.898 -18.201 1.00 44.23 H new ATOM 389 N CYS A 26 -4.103 -23.547 -16.051 1.00 74.41 N ATOM 390 CA CYS A 26 -5.187 -22.903 -15.320 1.00 13.22 C ATOM 391 C CYS A 26 -5.532 -23.686 -14.057 1.00 35.15 C ATOM 392 O CYS A 26 -5.547 -23.135 -12.957 1.00 25.13 O ATOM 393 CB CYS A 26 -6.426 -22.776 -16.209 1.00 21.11 C ATOM 394 SG CYS A 26 -6.207 -21.663 -17.634 1.00 53.22 S ATOM 0 H CYS A 26 -4.341 -23.817 -17.005 1.00 74.41 H new ATOM 0 HA CYS A 26 -4.853 -21.907 -15.029 1.00 13.22 H new ATOM 0 HB2 CYS A 26 -6.702 -23.766 -16.573 1.00 21.11 H new ATOM 0 HB3 CYS A 26 -7.258 -22.416 -15.605 1.00 21.11 H new ATOM 399 N ASN A 27 -5.810 -24.975 -14.224 1.00 30.14 N ATOM 400 CA ASN A 27 -6.155 -25.835 -13.097 1.00 55.23 C ATOM 401 C ASN A 27 -5.433 -25.387 -11.830 1.00 34.40 C ATOM 402 O ASN A 27 -6.040 -25.275 -10.765 1.00 75.44 O ATOM 403 CB ASN A 27 -5.802 -27.290 -13.412 1.00 53.23 C ATOM 404 CG ASN A 27 -6.467 -28.265 -12.460 1.00 24.21 C ATOM 405 OD1 ASN A 27 -7.212 -29.150 -12.880 1.00 54.02 O ATOM 406 ND2 ASN A 27 -6.198 -28.107 -11.169 1.00 32.20 N ATOM 0 H ASN A 27 -5.803 -25.447 -15.128 1.00 30.14 H new ATOM 0 HA ASN A 27 -7.229 -25.757 -12.928 1.00 55.23 H new ATOM 0 HB2 ASN A 27 -6.103 -27.521 -14.434 1.00 53.23 H new ATOM 0 HB3 ASN A 27 -4.721 -27.418 -13.362 1.00 53.23 H new ATOM 0 HD21 ASN A 27 -6.615 -28.734 -10.481 1.00 32.20 H new ATOM 0 HD22 ASN A 27 -5.574 -27.359 -10.866 1.00 32.20 H new ATOM 413 N GLN A 28 -4.135 -25.133 -11.954 1.00 23.01 N ATOM 414 CA GLN A 28 -3.330 -24.698 -10.818 1.00 73.13 C ATOM 415 C GLN A 28 -3.163 -23.182 -10.818 1.00 70.14 C ATOM 416 O GLN A 28 -3.563 -22.504 -9.873 1.00 2.05 O ATOM 417 CB GLN A 28 -1.959 -25.374 -10.849 1.00 64.31 C ATOM 418 CG GLN A 28 -1.926 -26.716 -10.136 1.00 23.41 C ATOM 419 CD GLN A 28 -0.620 -27.457 -10.346 1.00 70.44 C ATOM 420 OE1 GLN A 28 0.184 -27.596 -9.424 1.00 41.02 O ATOM 421 NE2 GLN A 28 -0.402 -27.939 -11.565 1.00 1.34 N ATOM 0 H GLN A 28 -3.618 -25.221 -12.829 1.00 23.01 H new ATOM 0 HA GLN A 28 -3.849 -24.988 -9.905 1.00 73.13 H new ATOM 0 HB2 GLN A 28 -1.656 -25.516 -11.887 1.00 64.31 H new ATOM 0 HB3 GLN A 28 -1.226 -24.710 -10.391 1.00 64.31 H new ATOM 0 HG2 GLN A 28 -2.083 -26.560 -9.069 1.00 23.41 H new ATOM 0 HG3 GLN A 28 -2.751 -27.333 -10.493 1.00 23.41 H new ATOM 0 HE21 GLN A 28 -1.096 -27.801 -12.300 1.00 1.34 H new ATOM 0 HE22 GLN A 28 0.459 -28.447 -11.766 1.00 1.34 H new ATOM 430 N MET A 29 -2.569 -22.657 -11.885 1.00 74.44 N ATOM 431 CA MET A 29 -2.350 -21.221 -12.008 1.00 52.13 C ATOM 432 C MET A 29 -3.462 -20.440 -11.315 1.00 11.00 C ATOM 433 O MET A 29 -3.217 -19.718 -10.349 1.00 23.42 O ATOM 434 CB MET A 29 -2.272 -20.820 -13.483 1.00 1.55 C ATOM 435 CG MET A 29 -0.951 -21.182 -14.142 1.00 0.13 C ATOM 436 SD MET A 29 0.466 -20.435 -13.314 1.00 62.10 S ATOM 437 CE MET A 29 -0.256 -18.909 -12.716 1.00 35.32 C ATOM 0 H MET A 29 -2.231 -23.205 -12.676 1.00 74.44 H new ATOM 0 HA MET A 29 -1.404 -20.980 -11.523 1.00 52.13 H new ATOM 0 HB2 MET A 29 -3.084 -21.304 -14.026 1.00 1.55 H new ATOM 0 HB3 MET A 29 -2.428 -19.745 -13.567 1.00 1.55 H new ATOM 0 HG2 MET A 29 -0.836 -22.266 -14.144 1.00 0.13 H new ATOM 0 HG3 MET A 29 -0.969 -20.861 -15.184 1.00 0.13 H new ATOM 0 HE1 MET A 29 0.537 -18.229 -12.404 1.00 35.32 H new ATOM 0 HE2 MET A 29 -0.839 -18.446 -13.512 1.00 35.32 H new ATOM 0 HE3 MET A 29 -0.906 -19.122 -11.867 1.00 35.32 H new ATOM 447 N MET A 30 -4.684 -20.589 -11.815 1.00 74.20 N ATOM 448 CA MET A 30 -5.834 -19.898 -11.242 1.00 44.11 C ATOM 449 C MET A 30 -5.799 -19.957 -9.718 1.00 74.03 C ATOM 450 O MET A 30 -6.079 -18.966 -9.043 1.00 72.40 O ATOM 451 CB MET A 30 -7.135 -20.513 -11.759 1.00 35.21 C ATOM 452 CG MET A 30 -7.923 -19.589 -12.673 1.00 75.11 C ATOM 453 SD MET A 30 -8.606 -18.166 -11.801 1.00 72.22 S ATOM 454 CE MET A 30 -7.248 -17.006 -11.931 1.00 50.22 C ATOM 0 H MET A 30 -4.904 -21.182 -12.615 1.00 74.20 H new ATOM 0 HA MET A 30 -5.789 -18.853 -11.548 1.00 44.11 H new ATOM 0 HB2 MET A 30 -6.904 -21.432 -12.297 1.00 35.21 H new ATOM 0 HB3 MET A 30 -7.759 -20.789 -10.909 1.00 35.21 H new ATOM 0 HG2 MET A 30 -7.275 -19.241 -13.477 1.00 75.11 H new ATOM 0 HG3 MET A 30 -8.734 -20.149 -13.138 1.00 75.11 H new ATOM 0 HE1 MET A 30 -7.635 -15.988 -11.895 1.00 50.22 H new ATOM 0 HE2 MET A 30 -6.556 -17.161 -11.103 1.00 50.22 H new ATOM 0 HE3 MET A 30 -6.725 -17.162 -12.875 1.00 50.22 H new ATOM 464 N ARG A 31 -5.455 -21.124 -9.183 1.00 53.03 N ATOM 465 CA ARG A 31 -5.386 -21.312 -7.739 1.00 52.32 C ATOM 466 C ARG A 31 -4.142 -20.642 -7.163 1.00 20.21 C ATOM 467 O ARG A 31 -4.167 -20.118 -6.049 1.00 43.34 O ATOM 468 CB ARG A 31 -5.381 -22.803 -7.397 1.00 41.30 C ATOM 469 CG ARG A 31 -4.912 -23.101 -5.982 1.00 61.34 C ATOM 470 CD ARG A 31 -3.637 -23.930 -5.982 1.00 2.25 C ATOM 471 NE ARG A 31 -2.699 -23.490 -4.952 1.00 41.21 N ATOM 472 CZ ARG A 31 -1.645 -24.200 -4.567 1.00 4.15 C ATOM 473 NH1 ARG A 31 -1.395 -25.377 -5.122 1.00 60.44 N ATOM 474 NH2 ARG A 31 -0.837 -23.732 -3.623 1.00 60.03 N ATOM 0 H ARG A 31 -5.220 -21.953 -9.728 1.00 53.03 H new ATOM 0 HA ARG A 31 -6.266 -20.848 -7.294 1.00 52.32 H new ATOM 0 HB2 ARG A 31 -6.387 -23.201 -7.529 1.00 41.30 H new ATOM 0 HB3 ARG A 31 -4.736 -23.327 -8.103 1.00 41.30 H new ATOM 0 HG2 ARG A 31 -4.739 -22.165 -5.450 1.00 61.34 H new ATOM 0 HG3 ARG A 31 -5.695 -23.635 -5.443 1.00 61.34 H new ATOM 0 HD2 ARG A 31 -3.886 -24.979 -5.821 1.00 2.25 H new ATOM 0 HD3 ARG A 31 -3.160 -23.862 -6.960 1.00 2.25 H new ATOM 0 HE ARG A 31 -2.863 -22.588 -4.504 1.00 41.21 H new ATOM 0 HH11 ARG A 31 -2.013 -25.740 -5.847 1.00 60.44 H new ATOM 0 HH12 ARG A 31 -0.584 -25.920 -4.824 1.00 60.44 H new ATOM 0 HH21 ARG A 31 -1.026 -22.827 -3.193 1.00 60.03 H new ATOM 0 HH22 ARG A 31 -0.028 -24.278 -3.328 1.00 60.03 H new ATOM 488 N ARG A 32 -3.056 -20.665 -7.928 1.00 42.03 N ATOM 489 CA ARG A 32 -1.802 -20.062 -7.493 1.00 63.12 C ATOM 490 C ARG A 32 -1.891 -18.539 -7.524 1.00 70.12 C ATOM 491 O ARG A 32 -1.147 -17.849 -6.827 1.00 63.51 O ATOM 492 CB ARG A 32 -0.649 -20.534 -8.381 1.00 70.22 C ATOM 493 CG ARG A 32 0.713 -20.036 -7.927 1.00 42.22 C ATOM 494 CD ARG A 32 1.566 -19.595 -9.106 1.00 44.12 C ATOM 495 NE ARG A 32 2.396 -18.438 -8.779 1.00 72.13 N ATOM 496 CZ ARG A 32 3.577 -18.527 -8.178 1.00 71.01 C ATOM 497 NH1 ARG A 32 4.065 -19.713 -7.840 1.00 40.43 N ATOM 498 NH2 ARG A 32 4.273 -17.428 -7.914 1.00 33.40 N ATOM 0 H ARG A 32 -3.019 -21.095 -8.852 1.00 42.03 H new ATOM 0 HA ARG A 32 -1.614 -20.377 -6.467 1.00 63.12 H new ATOM 0 HB2 ARG A 32 -0.640 -21.624 -8.401 1.00 70.22 H new ATOM 0 HB3 ARG A 32 -0.827 -20.198 -9.402 1.00 70.22 H new ATOM 0 HG2 ARG A 32 0.585 -19.202 -7.237 1.00 42.22 H new ATOM 0 HG3 ARG A 32 1.227 -20.826 -7.380 1.00 42.22 H new ATOM 0 HD2 ARG A 32 2.204 -20.421 -9.421 1.00 44.12 H new ATOM 0 HD3 ARG A 32 0.920 -19.351 -9.949 1.00 44.12 H new ATOM 0 HE ARG A 32 2.049 -17.511 -9.026 1.00 72.13 H new ATOM 0 HH11 ARG A 32 3.533 -20.560 -8.042 1.00 40.43 H new ATOM 0 HH12 ARG A 32 4.972 -19.778 -7.379 1.00 40.43 H new ATOM 0 HH21 ARG A 32 3.901 -16.514 -8.173 1.00 33.40 H new ATOM 0 HH22 ARG A 32 5.180 -17.497 -7.452 1.00 33.40 H new ATOM 512 N ARG A 33 -2.806 -18.022 -8.337 1.00 51.33 N ATOM 513 CA ARG A 33 -2.991 -16.581 -8.461 1.00 14.14 C ATOM 514 C ARG A 33 -3.873 -16.048 -7.335 1.00 4.34 C ATOM 515 O ARG A 33 -4.416 -14.948 -7.427 1.00 35.24 O ATOM 516 CB ARG A 33 -3.614 -16.239 -9.815 1.00 74.44 C ATOM 517 CG ARG A 33 -2.698 -16.520 -10.995 1.00 51.02 C ATOM 518 CD ARG A 33 -1.593 -15.481 -11.102 1.00 1.14 C ATOM 519 NE ARG A 33 -0.700 -15.745 -12.227 1.00 1.03 N ATOM 520 CZ ARG A 33 0.062 -14.816 -12.794 1.00 20.42 C ATOM 521 NH1 ARG A 33 0.040 -13.570 -12.343 1.00 11.21 N ATOM 522 NH2 ARG A 33 0.849 -15.134 -13.814 1.00 32.31 N ATOM 0 H ARG A 33 -3.431 -18.579 -8.920 1.00 51.33 H new ATOM 0 HA ARG A 33 -2.012 -16.107 -8.389 1.00 14.14 H new ATOM 0 HB2 ARG A 33 -4.535 -16.810 -9.936 1.00 74.44 H new ATOM 0 HB3 ARG A 33 -3.889 -15.184 -9.823 1.00 74.44 H new ATOM 0 HG2 ARG A 33 -2.258 -17.511 -10.887 1.00 51.02 H new ATOM 0 HG3 ARG A 33 -3.281 -16.529 -11.916 1.00 51.02 H new ATOM 0 HD2 ARG A 33 -2.036 -14.491 -11.215 1.00 1.14 H new ATOM 0 HD3 ARG A 33 -1.017 -15.468 -10.177 1.00 1.14 H new ATOM 0 HE ARG A 33 -0.659 -16.694 -12.598 1.00 1.03 H new ATOM 0 HH11 ARG A 33 -0.563 -13.322 -11.559 1.00 11.21 H new ATOM 0 HH12 ARG A 33 0.626 -12.859 -12.780 1.00 11.21 H new ATOM 0 HH21 ARG A 33 0.869 -16.092 -14.163 1.00 32.31 H new ATOM 0 HH22 ARG A 33 1.434 -14.420 -14.249 1.00 32.31 H new ATOM 536 N ASN A 34 -4.009 -16.836 -6.273 1.00 43.20 N ATOM 537 CA ASN A 34 -4.825 -16.444 -5.130 1.00 4.44 C ATOM 538 C ASN A 34 -6.271 -16.203 -5.551 1.00 12.14 C ATOM 539 O ASN A 34 -6.901 -15.237 -5.121 1.00 3.15 O ATOM 540 CB ASN A 34 -4.254 -15.182 -4.479 1.00 15.24 C ATOM 541 CG ASN A 34 -3.381 -15.494 -3.279 1.00 34.44 C ATOM 542 OD1 ASN A 34 -3.477 -16.572 -2.691 1.00 15.11 O ATOM 543 ND2 ASN A 34 -2.524 -14.550 -2.909 1.00 63.32 N ATOM 0 H ASN A 34 -3.565 -17.749 -6.181 1.00 43.20 H new ATOM 0 HA ASN A 34 -4.807 -17.258 -4.406 1.00 4.44 H new ATOM 0 HB2 ASN A 34 -3.671 -14.629 -5.215 1.00 15.24 H new ATOM 0 HB3 ASN A 34 -5.074 -14.534 -4.170 1.00 15.24 H new ATOM 0 HD21 ASN A 34 -1.911 -14.703 -2.108 1.00 63.32 H new ATOM 0 HD22 ASN A 34 -2.478 -13.672 -3.426 1.00 63.32 H new ATOM 550 N MET A 35 -6.792 -17.089 -6.394 1.00 5.33 N ATOM 551 CA MET A 35 -8.165 -16.973 -6.871 1.00 65.44 C ATOM 552 C MET A 35 -9.043 -18.066 -6.270 1.00 0.22 C ATOM 553 O MET A 35 -10.269 -17.948 -6.245 1.00 24.32 O ATOM 554 CB MET A 35 -8.204 -17.054 -8.399 1.00 33.23 C ATOM 555 CG MET A 35 -8.905 -15.874 -9.052 1.00 2.34 C ATOM 556 SD MET A 35 -7.961 -14.343 -8.914 1.00 71.43 S ATOM 557 CE MET A 35 -8.306 -13.589 -10.502 1.00 62.40 C ATOM 0 H MET A 35 -6.284 -17.894 -6.760 1.00 5.33 H new ATOM 0 HA MET A 35 -8.553 -16.005 -6.555 1.00 65.44 H new ATOM 0 HB2 MET A 35 -7.184 -17.115 -8.778 1.00 33.23 H new ATOM 0 HB3 MET A 35 -8.709 -17.974 -8.693 1.00 33.23 H new ATOM 0 HG2 MET A 35 -9.078 -16.096 -10.105 1.00 2.34 H new ATOM 0 HG3 MET A 35 -9.883 -15.736 -8.591 1.00 2.34 H new ATOM 0 HE1 MET A 35 -7.382 -13.505 -11.074 1.00 62.40 H new ATOM 0 HE2 MET A 35 -9.018 -14.206 -11.051 1.00 62.40 H new ATOM 0 HE3 MET A 35 -8.729 -12.596 -10.349 1.00 62.40 H new ATOM 567 N THR A 36 -8.409 -19.129 -5.786 1.00 30.44 N ATOM 568 CA THR A 36 -9.133 -20.243 -5.186 1.00 22.12 C ATOM 569 C THR A 36 -8.967 -20.254 -3.670 1.00 70.15 C ATOM 570 O THR A 36 -9.212 -21.268 -3.018 1.00 74.42 O ATOM 571 CB THR A 36 -8.656 -21.594 -5.753 1.00 1.52 C ATOM 572 OG1 THR A 36 -7.280 -21.806 -5.419 1.00 63.42 O ATOM 573 CG2 THR A 36 -8.829 -21.638 -7.263 1.00 54.35 C ATOM 0 H THR A 36 -7.395 -19.242 -5.798 1.00 30.44 H new ATOM 0 HA THR A 36 -10.186 -20.105 -5.433 1.00 22.12 H new ATOM 0 HB THR A 36 -9.263 -22.384 -5.311 1.00 1.52 H new ATOM 0 HG1 THR A 36 -7.220 -22.271 -4.559 1.00 63.42 H new ATOM 0 HG21 THR A 36 -8.486 -22.601 -7.641 1.00 54.35 H new ATOM 0 HG22 THR A 36 -9.882 -21.505 -7.513 1.00 54.35 H new ATOM 0 HG23 THR A 36 -8.244 -20.840 -7.720 1.00 54.35 H new ATOM 581 N GLN A 37 -8.550 -19.120 -3.117 1.00 51.11 N ATOM 582 CA GLN A 37 -8.352 -19.001 -1.677 1.00 50.55 C ATOM 583 C GLN A 37 -9.689 -18.965 -0.945 1.00 53.41 C ATOM 584 O GLN A 37 -10.455 -18.011 -1.077 1.00 12.11 O ATOM 585 CB GLN A 37 -7.546 -17.741 -1.355 1.00 14.20 C ATOM 586 CG GLN A 37 -6.100 -18.023 -0.982 1.00 10.44 C ATOM 587 CD GLN A 37 -5.753 -17.540 0.413 1.00 64.01 C ATOM 588 OE1 GLN A 37 -6.231 -16.496 0.858 1.00 22.42 O ATOM 589 NE2 GLN A 37 -4.916 -18.299 1.111 1.00 70.00 N ATOM 0 H GLN A 37 -8.343 -18.271 -3.643 1.00 51.11 H new ATOM 0 HA GLN A 37 -7.797 -19.876 -1.338 1.00 50.55 H new ATOM 0 HB2 GLN A 37 -7.567 -17.076 -2.218 1.00 14.20 H new ATOM 0 HB3 GLN A 37 -8.028 -17.212 -0.533 1.00 14.20 H new ATOM 0 HG2 GLN A 37 -5.914 -19.095 -1.048 1.00 10.44 H new ATOM 0 HG3 GLN A 37 -5.442 -17.540 -1.704 1.00 10.44 H new ATOM 0 HE21 GLN A 37 -4.544 -19.156 0.703 1.00 70.00 H new ATOM 0 HE22 GLN A 37 -4.645 -18.024 2.055 1.00 70.00 H new ATOM 598 N GLY A 38 -9.964 -20.011 -0.172 1.00 61.35 N ATOM 599 CA GLY A 38 -11.209 -20.080 0.569 1.00 15.40 C ATOM 600 C GLY A 38 -12.322 -20.734 -0.225 1.00 70.35 C ATOM 601 O GLY A 38 -13.113 -21.504 0.320 1.00 72.02 O ATOM 0 H GLY A 38 -9.346 -20.812 -0.046 1.00 61.35 H new ATOM 0 HA2 GLY A 38 -11.049 -20.638 1.491 1.00 15.40 H new ATOM 0 HA3 GLY A 38 -11.514 -19.073 0.855 1.00 15.40 H new ATOM 605 N ARG A 39 -12.384 -20.427 -1.517 1.00 74.30 N ATOM 606 CA ARG A 39 -13.410 -20.989 -2.387 1.00 74.22 C ATOM 607 C ARG A 39 -12.831 -21.339 -3.755 1.00 34.42 C ATOM 608 O ARG A 39 -11.651 -21.107 -4.019 1.00 74.13 O ATOM 609 CB ARG A 39 -14.568 -20.003 -2.549 1.00 52.52 C ATOM 610 CG ARG A 39 -14.996 -19.347 -1.247 1.00 15.15 C ATOM 611 CD ARG A 39 -16.497 -19.100 -1.214 1.00 23.32 C ATOM 612 NE ARG A 39 -16.816 -17.677 -1.140 1.00 70.11 N ATOM 613 CZ ARG A 39 -16.829 -16.985 -0.007 1.00 2.44 C ATOM 614 NH1 ARG A 39 -16.541 -17.581 1.142 1.00 72.20 N ATOM 615 NH2 ARG A 39 -17.129 -15.692 -0.021 1.00 32.23 N ATOM 0 H ARG A 39 -11.736 -19.793 -1.984 1.00 74.30 H new ATOM 0 HA ARG A 39 -13.782 -21.903 -1.924 1.00 74.22 H new ATOM 0 HB2 ARG A 39 -14.277 -19.228 -3.258 1.00 52.52 H new ATOM 0 HB3 ARG A 39 -15.422 -20.526 -2.980 1.00 52.52 H new ATOM 0 HG2 ARG A 39 -14.712 -19.982 -0.408 1.00 15.15 H new ATOM 0 HG3 ARG A 39 -14.468 -18.401 -1.124 1.00 15.15 H new ATOM 0 HD2 ARG A 39 -16.954 -19.528 -2.106 1.00 23.32 H new ATOM 0 HD3 ARG A 39 -16.930 -19.614 -0.356 1.00 23.32 H new ATOM 0 HE ARG A 39 -17.041 -17.188 -2.006 1.00 70.11 H new ATOM 0 HH11 ARG A 39 -16.309 -18.574 1.157 1.00 72.20 H new ATOM 0 HH12 ARG A 39 -16.552 -17.046 2.011 1.00 72.20 H new ATOM 0 HH21 ARG A 39 -17.350 -15.229 -0.903 1.00 32.23 H new ATOM 0 HH22 ARG A 39 -17.139 -15.161 0.850 1.00 32.23 H new ATOM 629 N CYS A 40 -13.669 -21.900 -4.620 1.00 73.13 N ATOM 630 CA CYS A 40 -13.242 -22.284 -5.960 1.00 42.23 C ATOM 631 C CYS A 40 -13.946 -21.439 -7.018 1.00 62.35 C ATOM 632 O CYS A 40 -15.136 -21.147 -6.905 1.00 75.32 O ATOM 633 CB CYS A 40 -13.526 -23.767 -6.204 1.00 33.32 C ATOM 634 SG CYS A 40 -12.564 -24.494 -7.569 1.00 72.51 S ATOM 0 H CYS A 40 -14.649 -22.099 -4.417 1.00 73.13 H new ATOM 0 HA CYS A 40 -12.169 -22.110 -6.036 1.00 42.23 H new ATOM 0 HB2 CYS A 40 -13.315 -24.321 -5.290 1.00 33.32 H new ATOM 0 HB3 CYS A 40 -14.588 -23.893 -6.415 1.00 33.32 H new ATOM 639 N LYS A 41 -13.201 -21.050 -8.048 1.00 13.42 N ATOM 640 CA LYS A 41 -13.752 -20.240 -9.128 1.00 72.11 C ATOM 641 C LYS A 41 -14.454 -21.116 -10.161 1.00 31.01 C ATOM 642 O LYS A 41 -13.923 -22.130 -10.614 1.00 44.24 O ATOM 643 CB LYS A 41 -12.643 -19.428 -9.801 1.00 72.33 C ATOM 644 CG LYS A 41 -13.109 -18.083 -10.330 1.00 15.24 C ATOM 645 CD LYS A 41 -13.469 -17.134 -9.199 1.00 11.14 C ATOM 646 CE LYS A 41 -12.255 -16.797 -8.346 1.00 73.50 C ATOM 647 NZ LYS A 41 -12.251 -15.369 -7.926 1.00 13.12 N ATOM 0 H LYS A 41 -12.214 -21.283 -8.157 1.00 13.42 H new ATOM 0 HA LYS A 41 -14.485 -19.557 -8.699 1.00 72.11 H new ATOM 0 HB2 LYS A 41 -11.836 -19.268 -9.086 1.00 72.33 H new ATOM 0 HB3 LYS A 41 -12.228 -20.009 -10.625 1.00 72.33 H new ATOM 0 HG2 LYS A 41 -12.324 -17.640 -10.942 1.00 15.24 H new ATOM 0 HG3 LYS A 41 -13.975 -18.225 -10.976 1.00 15.24 H new ATOM 0 HD2 LYS A 41 -13.891 -16.218 -9.612 1.00 11.14 H new ATOM 0 HD3 LYS A 41 -14.240 -17.586 -8.575 1.00 11.14 H new ATOM 0 HE2 LYS A 41 -12.244 -17.435 -7.463 1.00 73.50 H new ATOM 0 HE3 LYS A 41 -11.346 -17.013 -8.907 1.00 73.50 H new ATOM 0 HZ1 LYS A 41 -11.742 -15.274 -7.024 1.00 13.12 H new ATOM 0 HZ2 LYS A 41 -11.778 -14.795 -8.652 1.00 13.12 H new ATOM 0 HZ3 LYS A 41 -13.230 -15.039 -7.808 1.00 13.12 H new ATOM 661 N PRO A 42 -15.676 -20.717 -10.544 1.00 32.32 N ATOM 662 CA PRO A 42 -16.476 -21.451 -11.529 1.00 62.32 C ATOM 663 C PRO A 42 -15.896 -21.353 -12.936 1.00 3.41 C ATOM 664 O PRO A 42 -15.909 -22.323 -13.693 1.00 63.12 O ATOM 665 CB PRO A 42 -17.840 -20.761 -11.464 1.00 14.12 C ATOM 666 CG PRO A 42 -17.546 -19.385 -10.974 1.00 62.12 C ATOM 667 CD PRO A 42 -16.371 -19.519 -10.045 1.00 13.12 C ATOM 0 HA PRO A 42 -16.512 -22.518 -11.310 1.00 62.32 H new ATOM 0 HB2 PRO A 42 -18.319 -20.739 -12.443 1.00 14.12 H new ATOM 0 HB3 PRO A 42 -18.517 -21.285 -10.789 1.00 14.12 H new ATOM 0 HG2 PRO A 42 -17.314 -18.717 -11.803 1.00 62.12 H new ATOM 0 HG3 PRO A 42 -18.407 -18.963 -10.456 1.00 62.12 H new ATOM 0 HD2 PRO A 42 -15.729 -18.639 -10.079 1.00 13.12 H new ATOM 0 HD3 PRO A 42 -16.689 -19.641 -9.010 1.00 13.12 H new ATOM 675 N VAL A 43 -15.386 -20.174 -13.280 1.00 14.22 N ATOM 676 CA VAL A 43 -14.800 -19.949 -14.595 1.00 41.15 C ATOM 677 C VAL A 43 -13.786 -18.811 -14.558 1.00 0.00 C ATOM 678 O VAL A 43 -13.735 -18.043 -13.599 1.00 14.35 O ATOM 679 CB VAL A 43 -15.881 -19.624 -15.644 1.00 23.52 C ATOM 680 CG1 VAL A 43 -15.257 -19.459 -17.021 1.00 65.51 C ATOM 681 CG2 VAL A 43 -16.949 -20.707 -15.660 1.00 21.43 C ATOM 0 H VAL A 43 -15.367 -19.360 -12.665 1.00 14.22 H new ATOM 0 HA VAL A 43 -14.295 -20.873 -14.878 1.00 41.15 H new ATOM 0 HB VAL A 43 -16.355 -18.681 -15.372 1.00 23.52 H new ATOM 0 HG11 VAL A 43 -16.036 -19.230 -17.748 1.00 65.51 H new ATOM 0 HG12 VAL A 43 -14.532 -18.645 -16.997 1.00 65.51 H new ATOM 0 HG13 VAL A 43 -14.755 -20.384 -17.306 1.00 65.51 H new ATOM 0 HG21 VAL A 43 -17.705 -20.462 -16.406 1.00 21.43 H new ATOM 0 HG22 VAL A 43 -16.492 -21.665 -15.908 1.00 21.43 H new ATOM 0 HG23 VAL A 43 -17.417 -20.771 -14.678 1.00 21.43 H new ATOM 691 N ASN A 44 -12.980 -18.709 -15.610 1.00 21.12 N ATOM 692 CA ASN A 44 -11.966 -17.664 -15.697 1.00 71.34 C ATOM 693 C ASN A 44 -11.385 -17.587 -17.106 1.00 21.01 C ATOM 694 O ASN A 44 -11.669 -18.433 -17.955 1.00 12.22 O ATOM 695 CB ASN A 44 -10.848 -17.924 -14.686 1.00 1.33 C ATOM 696 CG ASN A 44 -10.964 -19.288 -14.033 1.00 44.41 C ATOM 697 OD1 ASN A 44 -10.416 -20.273 -14.527 1.00 65.12 O ATOM 698 ND2 ASN A 44 -11.680 -19.350 -12.917 1.00 30.33 N ATOM 0 H ASN A 44 -13.009 -19.337 -16.414 1.00 21.12 H new ATOM 0 HA ASN A 44 -12.441 -16.711 -15.466 1.00 71.34 H new ATOM 0 HB2 ASN A 44 -9.883 -17.845 -15.187 1.00 1.33 H new ATOM 0 HB3 ASN A 44 -10.871 -17.153 -13.916 1.00 1.33 H new ATOM 0 HD21 ASN A 44 -11.794 -20.241 -12.433 1.00 30.33 H new ATOM 0 HD22 ASN A 44 -12.117 -18.507 -12.544 1.00 30.33 H new ATOM 705 N THR A 45 -10.568 -16.566 -17.348 1.00 70.41 N ATOM 706 CA THR A 45 -9.947 -16.378 -18.653 1.00 1.41 C ATOM 707 C THR A 45 -8.692 -15.519 -18.545 1.00 62.03 C ATOM 708 O THR A 45 -8.773 -14.300 -18.390 1.00 63.33 O ATOM 709 CB THR A 45 -10.921 -15.720 -19.649 1.00 21.31 C ATOM 710 OG1 THR A 45 -12.168 -16.424 -19.651 1.00 60.13 O ATOM 711 CG2 THR A 45 -10.335 -15.711 -21.053 1.00 30.42 C ATOM 0 H THR A 45 -10.321 -15.857 -16.657 1.00 70.41 H new ATOM 0 HA THR A 45 -9.677 -17.368 -19.020 1.00 1.41 H new ATOM 0 HB THR A 45 -11.086 -14.689 -19.335 1.00 21.31 H new ATOM 0 HG1 THR A 45 -12.033 -17.329 -19.301 1.00 60.13 H new ATOM 0 HG21 THR A 45 -11.040 -15.242 -21.739 1.00 30.42 H new ATOM 0 HG22 THR A 45 -9.400 -15.150 -21.054 1.00 30.42 H new ATOM 0 HG23 THR A 45 -10.144 -16.735 -21.374 1.00 30.42 H new ATOM 719 N PHE A 46 -7.532 -16.162 -18.629 1.00 42.10 N ATOM 720 CA PHE A 46 -6.259 -15.456 -18.541 1.00 24.43 C ATOM 721 C PHE A 46 -5.978 -14.679 -19.823 1.00 65.14 C ATOM 722 O PHE A 46 -6.772 -14.701 -20.763 1.00 74.52 O ATOM 723 CB PHE A 46 -5.122 -16.444 -18.270 1.00 22.00 C ATOM 724 CG PHE A 46 -4.974 -16.805 -16.820 1.00 33.34 C ATOM 725 CD1 PHE A 46 -4.756 -15.824 -15.866 1.00 52.12 C ATOM 726 CD2 PHE A 46 -5.053 -18.127 -16.410 1.00 12.43 C ATOM 727 CE1 PHE A 46 -4.620 -16.153 -14.531 1.00 14.14 C ATOM 728 CE2 PHE A 46 -4.919 -18.461 -15.076 1.00 23.54 C ATOM 729 CZ PHE A 46 -4.701 -17.474 -14.135 1.00 43.30 C ATOM 0 H PHE A 46 -7.447 -17.170 -18.758 1.00 42.10 H new ATOM 0 HA PHE A 46 -6.321 -14.748 -17.715 1.00 24.43 H new ATOM 0 HB2 PHE A 46 -5.296 -17.353 -18.846 1.00 22.00 H new ATOM 0 HB3 PHE A 46 -4.186 -16.015 -18.627 1.00 22.00 H new ATOM 0 HD1 PHE A 46 -4.692 -14.790 -16.170 1.00 52.12 H new ATOM 0 HD2 PHE A 46 -5.221 -18.904 -17.141 1.00 12.43 H new ATOM 0 HE1 PHE A 46 -4.451 -15.378 -13.798 1.00 14.14 H new ATOM 0 HE2 PHE A 46 -4.985 -19.494 -14.769 1.00 23.54 H new ATOM 0 HZ PHE A 46 -4.594 -17.734 -13.092 1.00 43.30 H new ATOM 739 N VAL A 47 -4.840 -13.991 -19.854 1.00 75.22 N ATOM 740 CA VAL A 47 -4.453 -13.207 -21.021 1.00 1.25 C ATOM 741 C VAL A 47 -2.967 -13.368 -21.322 1.00 73.33 C ATOM 742 O VAL A 47 -2.134 -13.359 -20.416 1.00 21.53 O ATOM 743 CB VAL A 47 -4.765 -11.712 -20.821 1.00 14.13 C ATOM 744 CG1 VAL A 47 -4.443 -10.926 -22.082 1.00 42.51 C ATOM 745 CG2 VAL A 47 -6.221 -11.521 -20.421 1.00 63.12 C ATOM 0 H VAL A 47 -4.171 -13.961 -19.085 1.00 75.22 H new ATOM 0 HA VAL A 47 -5.035 -13.583 -21.863 1.00 1.25 H new ATOM 0 HB VAL A 47 -4.137 -11.332 -20.015 1.00 14.13 H new ATOM 0 HG11 VAL A 47 -4.670 -9.872 -21.922 1.00 42.51 H new ATOM 0 HG12 VAL A 47 -3.385 -11.037 -22.320 1.00 42.51 H new ATOM 0 HG13 VAL A 47 -5.043 -11.304 -22.910 1.00 42.51 H new ATOM 0 HG21 VAL A 47 -6.424 -10.459 -20.284 1.00 63.12 H new ATOM 0 HG22 VAL A 47 -6.868 -11.916 -21.204 1.00 63.12 H new ATOM 0 HG23 VAL A 47 -6.415 -12.051 -19.488 1.00 63.12 H new ATOM 755 N HIS A 48 -2.642 -13.515 -22.603 1.00 23.43 N ATOM 756 CA HIS A 48 -1.255 -13.678 -23.025 1.00 51.22 C ATOM 757 C HIS A 48 -0.765 -12.439 -23.769 1.00 30.11 C ATOM 758 O HIS A 48 0.235 -12.489 -24.484 1.00 5.35 O ATOM 759 CB HIS A 48 -1.113 -14.912 -23.917 1.00 4.24 C ATOM 760 CG HIS A 48 -0.889 -16.180 -23.152 1.00 70.33 C ATOM 761 ND1 HIS A 48 0.187 -16.373 -22.312 1.00 1.23 N ATOM 762 CD2 HIS A 48 -1.612 -17.324 -23.104 1.00 2.34 C ATOM 763 CE1 HIS A 48 0.117 -17.580 -21.781 1.00 25.35 C ATOM 764 NE2 HIS A 48 -0.965 -18.178 -22.244 1.00 52.24 N ATOM 0 H HIS A 48 -3.319 -13.525 -23.366 1.00 23.43 H new ATOM 0 HA HIS A 48 -0.643 -13.811 -22.133 1.00 51.22 H new ATOM 0 HB2 HIS A 48 -2.012 -15.017 -24.524 1.00 4.24 H new ATOM 0 HB3 HIS A 48 -0.281 -14.760 -24.604 1.00 4.24 H new ATOM 0 HD1 HIS A 48 0.922 -15.690 -22.129 1.00 1.23 H new ATOM 0 HD2 HIS A 48 -2.526 -17.527 -23.641 1.00 2.34 H new ATOM 0 HE1 HIS A 48 0.825 -18.006 -21.086 1.00 25.35 H new ATOM 772 N GLU A 49 -1.477 -11.330 -23.596 1.00 35.22 N ATOM 773 CA GLU A 49 -1.115 -10.080 -24.252 1.00 41.34 C ATOM 774 C GLU A 49 -0.600 -9.062 -23.239 1.00 25.34 C ATOM 775 O GLU A 49 -0.933 -9.105 -22.054 1.00 64.11 O ATOM 776 CB GLU A 49 -2.318 -9.504 -25.002 1.00 70.25 C ATOM 777 CG GLU A 49 -2.275 -9.749 -26.501 1.00 43.05 C ATOM 778 CD GLU A 49 -1.914 -8.502 -27.286 1.00 34.40 C ATOM 779 OE1 GLU A 49 -2.270 -7.394 -26.835 1.00 54.45 O ATOM 780 OE2 GLU A 49 -1.276 -8.636 -28.351 1.00 22.31 O ATOM 0 H GLU A 49 -2.308 -11.272 -23.007 1.00 35.22 H new ATOM 0 HA GLU A 49 -0.318 -10.292 -24.965 1.00 41.34 H new ATOM 0 HB2 GLU A 49 -3.231 -9.941 -24.597 1.00 70.25 H new ATOM 0 HB3 GLU A 49 -2.370 -8.431 -24.819 1.00 70.25 H new ATOM 0 HG2 GLU A 49 -1.549 -10.533 -26.717 1.00 43.05 H new ATOM 0 HG3 GLU A 49 -3.246 -10.115 -26.834 1.00 43.05 H new ATOM 787 N PRO A 50 0.234 -8.125 -23.713 1.00 52.44 N ATOM 788 CA PRO A 50 0.814 -7.078 -22.866 1.00 35.41 C ATOM 789 C PRO A 50 -0.226 -6.062 -22.407 1.00 52.31 C ATOM 790 O PRO A 50 -1.083 -5.640 -23.185 1.00 61.12 O ATOM 791 CB PRO A 50 1.845 -6.413 -23.780 1.00 3.31 C ATOM 792 CG PRO A 50 1.351 -6.671 -25.161 1.00 75.11 C ATOM 793 CD PRO A 50 0.674 -8.013 -25.114 1.00 72.22 C ATOM 0 HA PRO A 50 1.238 -7.485 -21.948 1.00 35.41 H new ATOM 0 HB2 PRO A 50 1.920 -5.344 -23.580 1.00 3.31 H new ATOM 0 HB3 PRO A 50 2.838 -6.836 -23.630 1.00 3.31 H new ATOM 0 HG2 PRO A 50 0.656 -5.894 -25.478 1.00 75.11 H new ATOM 0 HG3 PRO A 50 2.174 -6.674 -25.876 1.00 75.11 H new ATOM 0 HD2 PRO A 50 -0.168 -8.063 -25.805 1.00 72.22 H new ATOM 0 HD3 PRO A 50 1.357 -8.817 -25.386 1.00 72.22 H new ATOM 801 N LEU A 51 -0.146 -5.671 -21.140 1.00 3.10 N ATOM 802 CA LEU A 51 -1.080 -4.702 -20.577 1.00 71.32 C ATOM 803 C LEU A 51 -1.221 -3.488 -21.489 1.00 43.23 C ATOM 804 O LEU A 51 -2.320 -3.156 -21.934 1.00 24.00 O ATOM 805 CB LEU A 51 -0.613 -4.261 -19.189 1.00 51.41 C ATOM 806 CG LEU A 51 -1.531 -3.286 -18.450 1.00 74.35 C ATOM 807 CD1 LEU A 51 -2.758 -4.009 -17.917 1.00 74.33 C ATOM 808 CD2 LEU A 51 -0.781 -2.600 -17.319 1.00 2.14 C ATOM 0 H LEU A 51 0.556 -6.010 -20.483 1.00 3.10 H new ATOM 0 HA LEU A 51 -2.055 -5.182 -20.490 1.00 71.32 H new ATOM 0 HB2 LEU A 51 -0.487 -5.150 -18.571 1.00 51.41 H new ATOM 0 HB3 LEU A 51 0.370 -3.800 -19.288 1.00 51.41 H new ATOM 0 HG LEU A 51 -1.861 -2.523 -19.155 1.00 74.35 H new ATOM 0 HD11 LEU A 51 -3.400 -3.300 -17.394 1.00 74.33 H new ATOM 0 HD12 LEU A 51 -3.308 -4.453 -18.747 1.00 74.33 H new ATOM 0 HD13 LEU A 51 -2.447 -4.794 -17.227 1.00 74.33 H new ATOM 0 HD21 LEU A 51 -1.450 -1.910 -16.805 1.00 2.14 H new ATOM 0 HD22 LEU A 51 -0.421 -3.349 -16.614 1.00 2.14 H new ATOM 0 HD23 LEU A 51 0.066 -2.048 -17.726 1.00 2.14 H new ATOM 820 N VAL A 52 -0.100 -2.829 -21.766 1.00 63.00 N ATOM 821 CA VAL A 52 -0.097 -1.653 -22.628 1.00 70.10 C ATOM 822 C VAL A 52 -1.144 -1.776 -23.729 1.00 34.41 C ATOM 823 O VAL A 52 -1.790 -0.795 -24.098 1.00 71.42 O ATOM 824 CB VAL A 52 1.285 -1.432 -23.272 1.00 32.25 C ATOM 825 CG1 VAL A 52 1.525 -2.444 -24.381 1.00 62.32 C ATOM 826 CG2 VAL A 52 1.405 -0.011 -23.800 1.00 12.30 C ATOM 0 H VAL A 52 0.818 -3.090 -21.406 1.00 63.00 H new ATOM 0 HA VAL A 52 -0.336 -0.798 -21.996 1.00 70.10 H new ATOM 0 HB VAL A 52 2.050 -1.577 -22.509 1.00 32.25 H new ATOM 0 HG11 VAL A 52 2.506 -2.272 -24.824 1.00 62.32 H new ATOM 0 HG12 VAL A 52 1.484 -3.452 -23.969 1.00 62.32 H new ATOM 0 HG13 VAL A 52 0.757 -2.334 -25.146 1.00 62.32 H new ATOM 0 HG21 VAL A 52 2.387 0.128 -24.252 1.00 12.30 H new ATOM 0 HG22 VAL A 52 0.633 0.165 -24.549 1.00 12.30 H new ATOM 0 HG23 VAL A 52 1.281 0.694 -22.978 1.00 12.30 H new ATOM 836 N ASP A 53 -1.308 -2.988 -24.249 1.00 41.32 N ATOM 837 CA ASP A 53 -2.279 -3.241 -25.308 1.00 3.53 C ATOM 838 C ASP A 53 -3.704 -3.111 -24.780 1.00 11.00 C ATOM 839 O ASP A 53 -4.483 -2.289 -25.262 1.00 13.53 O ATOM 840 CB ASP A 53 -2.066 -4.634 -25.902 1.00 11.23 C ATOM 841 CG ASP A 53 -2.526 -4.725 -27.344 1.00 4.34 C ATOM 842 OD1 ASP A 53 -3.632 -4.230 -27.646 1.00 61.14 O ATOM 843 OD2 ASP A 53 -1.779 -5.290 -28.169 1.00 43.43 O ATOM 0 H ASP A 53 -0.781 -3.810 -23.955 1.00 41.32 H new ATOM 0 HA ASP A 53 -2.131 -2.496 -26.089 1.00 3.53 H new ATOM 0 HB2 ASP A 53 -1.009 -4.893 -25.844 1.00 11.23 H new ATOM 0 HB3 ASP A 53 -2.607 -5.367 -25.304 1.00 11.23 H new ATOM 848 N VAL A 54 -4.039 -3.930 -23.788 1.00 11.43 N ATOM 849 CA VAL A 54 -5.371 -3.907 -23.194 1.00 43.23 C ATOM 850 C VAL A 54 -5.750 -2.499 -22.750 1.00 54.31 C ATOM 851 O VAL A 54 -6.905 -2.090 -22.871 1.00 42.21 O ATOM 852 CB VAL A 54 -5.463 -4.857 -21.986 1.00 1.04 C ATOM 853 CG1 VAL A 54 -6.837 -4.766 -21.338 1.00 65.35 C ATOM 854 CG2 VAL A 54 -5.156 -6.286 -22.407 1.00 74.03 C ATOM 0 H VAL A 54 -3.407 -4.618 -23.379 1.00 11.43 H new ATOM 0 HA VAL A 54 -6.067 -4.242 -23.963 1.00 43.23 H new ATOM 0 HB VAL A 54 -4.720 -4.553 -21.249 1.00 1.04 H new ATOM 0 HG11 VAL A 54 -6.883 -5.444 -20.486 1.00 65.35 H new ATOM 0 HG12 VAL A 54 -7.012 -3.745 -20.999 1.00 65.35 H new ATOM 0 HG13 VAL A 54 -7.601 -5.043 -22.064 1.00 65.35 H new ATOM 0 HG21 VAL A 54 -5.226 -6.944 -21.540 1.00 74.03 H new ATOM 0 HG22 VAL A 54 -5.874 -6.605 -23.163 1.00 74.03 H new ATOM 0 HG23 VAL A 54 -4.148 -6.335 -22.820 1.00 74.03 H new ATOM 864 N GLN A 55 -4.771 -1.762 -22.236 1.00 22.00 N ATOM 865 CA GLN A 55 -5.003 -0.399 -21.773 1.00 41.14 C ATOM 866 C GLN A 55 -5.487 0.489 -22.915 1.00 63.44 C ATOM 867 O GLN A 55 -6.477 1.206 -22.780 1.00 72.53 O ATOM 868 CB GLN A 55 -3.724 0.181 -21.167 1.00 42.34 C ATOM 869 CG GLN A 55 -3.075 -0.724 -20.133 1.00 74.51 C ATOM 870 CD GLN A 55 -2.693 0.016 -18.867 1.00 2.02 C ATOM 871 OE1 GLN A 55 -3.027 -0.562 -17.719 1.00 72.33 O flip ATOM 872 NE2 GLN A 55 -2.103 1.096 -18.919 1.00 13.31 N flip ATOM 0 H GLN A 55 -3.810 -2.086 -22.130 1.00 22.00 H new ATOM 0 HA GLN A 55 -5.778 -0.429 -21.007 1.00 41.14 H new ATOM 0 HB2 GLN A 55 -3.009 0.376 -21.967 1.00 42.34 H new ATOM 0 HB3 GLN A 55 -3.954 1.141 -20.704 1.00 42.34 H new ATOM 0 HG2 GLN A 55 -3.761 -1.534 -19.883 1.00 74.51 H new ATOM 0 HG3 GLN A 55 -2.185 -1.182 -20.564 1.00 74.51 H new ATOM 0 HE21 GLN A 55 -1.865 1.504 -19.823 1.00 13.31 H new ATOM 0 HE22 GLN A 55 -1.852 1.582 -18.058 1.00 13.31 H new ATOM 881 N ASN A 56 -4.780 0.435 -24.040 1.00 11.21 N ATOM 882 CA ASN A 56 -5.137 1.235 -25.206 1.00 13.43 C ATOM 883 C ASN A 56 -6.611 1.057 -25.557 1.00 12.20 C ATOM 884 O ASN A 56 -7.250 1.968 -26.084 1.00 3.42 O ATOM 885 CB ASN A 56 -4.266 0.848 -26.402 1.00 41.33 C ATOM 886 CG ASN A 56 -2.930 1.567 -26.401 1.00 72.42 C ATOM 887 OD1 ASN A 56 -2.743 2.552 -25.687 1.00 54.04 O ATOM 888 ND2 ASN A 56 -1.994 1.075 -27.204 1.00 25.33 N ATOM 0 H ASN A 56 -3.957 -0.154 -24.168 1.00 11.21 H new ATOM 0 HA ASN A 56 -4.964 2.283 -24.963 1.00 13.43 H new ATOM 0 HB2 ASN A 56 -4.096 -0.229 -26.391 1.00 41.33 H new ATOM 0 HB3 ASN A 56 -4.798 1.077 -27.325 1.00 41.33 H new ATOM 0 HD21 ASN A 56 -1.075 1.516 -27.246 1.00 25.33 H new ATOM 0 HD22 ASN A 56 -2.194 0.256 -27.778 1.00 25.33 H new ATOM 895 N VAL A 57 -7.146 -0.123 -25.261 1.00 31.22 N ATOM 896 CA VAL A 57 -8.545 -0.421 -25.543 1.00 70.23 C ATOM 897 C VAL A 57 -9.461 0.661 -24.983 1.00 74.21 C ATOM 898 O VAL A 57 -10.310 1.200 -25.694 1.00 1.53 O ATOM 899 CB VAL A 57 -8.958 -1.784 -24.956 1.00 15.44 C ATOM 900 CG1 VAL A 57 -10.429 -2.059 -25.230 1.00 30.43 C ATOM 901 CG2 VAL A 57 -8.085 -2.894 -25.520 1.00 11.11 C ATOM 0 H VAL A 57 -6.631 -0.889 -24.826 1.00 31.22 H new ATOM 0 HA VAL A 57 -8.649 -0.455 -26.627 1.00 70.23 H new ATOM 0 HB VAL A 57 -8.814 -1.754 -23.876 1.00 15.44 H new ATOM 0 HG11 VAL A 57 -10.703 -3.026 -24.808 1.00 30.43 H new ATOM 0 HG12 VAL A 57 -11.037 -1.278 -24.772 1.00 30.43 H new ATOM 0 HG13 VAL A 57 -10.603 -2.070 -26.306 1.00 30.43 H new ATOM 0 HG21 VAL A 57 -8.391 -3.850 -25.094 1.00 11.11 H new ATOM 0 HG22 VAL A 57 -8.195 -2.928 -26.604 1.00 11.11 H new ATOM 0 HG23 VAL A 57 -7.043 -2.701 -25.267 1.00 11.11 H new ATOM 911 N CYS A 58 -9.284 0.974 -23.704 1.00 14.21 N ATOM 912 CA CYS A 58 -10.095 1.992 -23.046 1.00 42.24 C ATOM 913 C CYS A 58 -10.041 3.310 -23.814 1.00 71.22 C ATOM 914 O CYS A 58 -10.901 4.174 -23.646 1.00 55.41 O ATOM 915 CB CYS A 58 -9.615 2.207 -21.610 1.00 24.54 C ATOM 916 SG CYS A 58 -10.957 2.283 -20.381 1.00 11.44 S ATOM 0 H CYS A 58 -8.586 0.537 -23.102 1.00 14.21 H new ATOM 0 HA CYS A 58 -11.127 1.643 -23.029 1.00 42.24 H new ATOM 0 HB2 CYS A 58 -8.935 1.398 -21.341 1.00 24.54 H new ATOM 0 HB3 CYS A 58 -9.042 3.133 -21.565 1.00 24.54 H new ATOM 921 N PHE A 59 -9.025 3.456 -24.658 1.00 24.34 N ATOM 922 CA PHE A 59 -8.858 4.668 -25.451 1.00 64.32 C ATOM 923 C PHE A 59 -9.160 4.400 -26.923 1.00 4.12 C ATOM 924 O PHE A 59 -9.294 5.330 -27.718 1.00 21.21 O ATOM 925 CB PHE A 59 -7.434 5.209 -25.301 1.00 73.23 C ATOM 926 CG PHE A 59 -6.923 5.168 -23.889 1.00 52.35 C ATOM 927 CD1 PHE A 59 -7.673 5.699 -22.852 1.00 22.01 C ATOM 928 CD2 PHE A 59 -5.694 4.599 -23.600 1.00 3.22 C ATOM 929 CE1 PHE A 59 -7.204 5.664 -21.552 1.00 74.31 C ATOM 930 CE2 PHE A 59 -5.220 4.561 -22.302 1.00 32.43 C ATOM 931 CZ PHE A 59 -5.977 5.093 -21.276 1.00 73.35 C ATOM 0 H PHE A 59 -8.305 2.750 -24.810 1.00 24.34 H new ATOM 0 HA PHE A 59 -9.563 5.413 -25.083 1.00 64.32 H new ATOM 0 HB2 PHE A 59 -6.765 4.630 -25.938 1.00 73.23 H new ATOM 0 HB3 PHE A 59 -7.405 6.238 -25.660 1.00 73.23 H new ATOM 0 HD1 PHE A 59 -8.634 6.145 -23.061 1.00 22.01 H new ATOM 0 HD2 PHE A 59 -5.099 4.180 -24.398 1.00 3.22 H new ATOM 0 HE1 PHE A 59 -7.797 6.083 -20.752 1.00 74.31 H new ATOM 0 HE2 PHE A 59 -4.259 4.116 -22.090 1.00 32.43 H new ATOM 0 HZ PHE A 59 -5.610 5.062 -20.261 1.00 73.35 H new ATOM 941 N GLN A 60 -9.264 3.123 -27.277 1.00 11.24 N ATOM 942 CA GLN A 60 -9.549 2.733 -28.652 1.00 43.04 C ATOM 943 C GLN A 60 -11.050 2.581 -28.876 1.00 2.43 C ATOM 944 O GLN A 60 -11.626 3.233 -29.746 1.00 44.03 O ATOM 945 CB GLN A 60 -8.836 1.423 -28.991 1.00 62.21 C ATOM 946 CG GLN A 60 -7.335 1.578 -29.181 1.00 35.11 C ATOM 947 CD GLN A 60 -6.897 1.308 -30.606 1.00 65.35 C ATOM 948 OE1 GLN A 60 -6.721 0.035 -30.941 1.00 23.11 O flip ATOM 949 NE2 GLN A 60 -6.717 2.233 -31.399 1.00 31.41 N flip ATOM 0 H GLN A 60 -9.155 2.342 -26.631 1.00 11.24 H new ATOM 0 HA GLN A 60 -9.180 3.520 -29.309 1.00 43.04 H new ATOM 0 HB2 GLN A 60 -9.020 0.702 -28.195 1.00 62.21 H new ATOM 0 HB3 GLN A 60 -9.268 1.009 -29.902 1.00 62.21 H new ATOM 0 HG2 GLN A 60 -7.039 2.589 -28.899 1.00 35.11 H new ATOM 0 HG3 GLN A 60 -6.815 0.895 -28.509 1.00 35.11 H new ATOM 0 HE21 GLN A 60 -6.864 3.197 -31.100 1.00 31.41 H new ATOM 0 HE22 GLN A 60 -6.421 2.035 -32.355 1.00 31.41 H new ATOM 958 N GLU A 61 -11.677 1.717 -28.084 1.00 23.01 N ATOM 959 CA GLU A 61 -13.111 1.480 -28.197 1.00 61.41 C ATOM 960 C GLU A 61 -13.780 1.529 -26.827 1.00 34.23 C ATOM 961 O GLU A 61 -13.109 1.582 -25.796 1.00 41.32 O ATOM 962 CB GLU A 61 -13.376 0.125 -28.858 1.00 4.21 C ATOM 963 CG GLU A 61 -14.684 0.069 -29.628 1.00 35.14 C ATOM 964 CD GLU A 61 -14.776 -1.143 -30.534 1.00 74.13 C ATOM 965 OE1 GLU A 61 -13.967 -2.078 -30.358 1.00 44.54 O ATOM 966 OE2 GLU A 61 -15.657 -1.157 -31.419 1.00 71.42 O ATOM 0 H GLU A 61 -11.215 1.170 -27.358 1.00 23.01 H new ATOM 0 HA GLU A 61 -13.536 2.269 -28.818 1.00 61.41 H new ATOM 0 HB2 GLU A 61 -12.555 -0.106 -29.536 1.00 4.21 H new ATOM 0 HB3 GLU A 61 -13.382 -0.649 -28.091 1.00 4.21 H new ATOM 0 HG2 GLU A 61 -15.516 0.055 -28.924 1.00 35.14 H new ATOM 0 HG3 GLU A 61 -14.788 0.974 -30.226 1.00 35.14 H new ATOM 973 N LYS A 62 -15.109 1.511 -26.823 1.00 30.00 N ATOM 974 CA LYS A 62 -15.872 1.553 -25.581 1.00 23.20 C ATOM 975 C LYS A 62 -17.155 0.737 -25.703 1.00 24.34 C ATOM 976 O LYS A 62 -17.679 0.545 -26.800 1.00 64.10 O ATOM 977 CB LYS A 62 -16.208 3.000 -25.213 1.00 71.25 C ATOM 978 CG LYS A 62 -16.703 3.166 -23.787 1.00 61.31 C ATOM 979 CD LYS A 62 -17.058 4.612 -23.485 1.00 23.14 C ATOM 980 CE LYS A 62 -15.842 5.519 -23.595 1.00 63.05 C ATOM 981 NZ LYS A 62 -15.841 6.576 -22.547 1.00 10.31 N ATOM 0 H LYS A 62 -15.680 1.468 -27.667 1.00 30.00 H new ATOM 0 HA LYS A 62 -15.259 1.117 -24.792 1.00 23.20 H new ATOM 0 HB2 LYS A 62 -15.321 3.617 -25.355 1.00 71.25 H new ATOM 0 HB3 LYS A 62 -16.969 3.373 -25.899 1.00 71.25 H new ATOM 0 HG2 LYS A 62 -17.578 2.535 -23.629 1.00 61.31 H new ATOM 0 HG3 LYS A 62 -15.935 2.826 -23.092 1.00 61.31 H new ATOM 0 HD2 LYS A 62 -17.829 4.950 -24.177 1.00 23.14 H new ATOM 0 HD3 LYS A 62 -17.477 4.683 -22.481 1.00 23.14 H new ATOM 0 HE2 LYS A 62 -14.934 4.921 -23.509 1.00 63.05 H new ATOM 0 HE3 LYS A 62 -15.824 5.985 -24.580 1.00 63.05 H new ATOM 0 HZ1 LYS A 62 -14.996 7.173 -22.657 1.00 10.31 H new ATOM 0 HZ2 LYS A 62 -16.694 7.163 -22.645 1.00 10.31 H new ATOM 0 HZ3 LYS A 62 -15.832 6.132 -21.606 1.00 10.31 H new ATOM 995 N VAL A 63 -17.657 0.259 -24.568 1.00 42.22 N ATOM 996 CA VAL A 63 -18.880 -0.534 -24.548 1.00 20.03 C ATOM 997 C VAL A 63 -19.660 -0.307 -23.258 1.00 35.31 C ATOM 998 O VAL A 63 -19.146 0.274 -22.301 1.00 74.33 O ATOM 999 CB VAL A 63 -18.577 -2.037 -24.694 1.00 23.02 C ATOM 1000 CG1 VAL A 63 -17.494 -2.264 -25.738 1.00 33.50 C ATOM 1001 CG2 VAL A 63 -18.170 -2.631 -23.354 1.00 5.33 C ATOM 0 H VAL A 63 -17.235 0.407 -23.651 1.00 42.22 H new ATOM 0 HA VAL A 63 -19.482 -0.209 -25.396 1.00 20.03 H new ATOM 0 HB VAL A 63 -19.483 -2.542 -25.029 1.00 23.02 H new ATOM 0 HG11 VAL A 63 -17.293 -3.332 -25.828 1.00 33.50 H new ATOM 0 HG12 VAL A 63 -17.829 -1.876 -26.700 1.00 33.50 H new ATOM 0 HG13 VAL A 63 -16.583 -1.748 -25.436 1.00 33.50 H new ATOM 0 HG21 VAL A 63 -17.960 -3.694 -23.476 1.00 5.33 H new ATOM 0 HG22 VAL A 63 -17.277 -2.124 -22.987 1.00 5.33 H new ATOM 0 HG23 VAL A 63 -18.981 -2.502 -22.637 1.00 5.33 H new ATOM 1011 N THR A 64 -20.907 -0.770 -23.237 1.00 64.24 N ATOM 1012 CA THR A 64 -21.759 -0.618 -22.065 1.00 54.34 C ATOM 1013 C THR A 64 -21.308 -1.535 -20.934 1.00 53.42 C ATOM 1014 O THR A 64 -20.610 -2.523 -21.163 1.00 41.40 O ATOM 1015 CB THR A 64 -23.232 -0.920 -22.399 1.00 54.34 C ATOM 1016 OG1 THR A 64 -23.471 -0.711 -23.796 1.00 10.42 O ATOM 1017 CG2 THR A 64 -24.164 -0.037 -21.583 1.00 34.32 C ATOM 0 H THR A 64 -21.348 -1.253 -24.019 1.00 64.24 H new ATOM 0 HA THR A 64 -21.672 0.420 -21.744 1.00 54.34 H new ATOM 0 HB THR A 64 -23.432 -1.962 -22.148 1.00 54.34 H new ATOM 0 HG1 THR A 64 -24.409 -0.907 -24.000 1.00 10.42 H new ATOM 0 HG21 THR A 64 -25.199 -0.268 -21.836 1.00 34.32 H new ATOM 0 HG22 THR A 64 -24.001 -0.219 -20.521 1.00 34.32 H new ATOM 0 HG23 THR A 64 -23.961 1.010 -21.807 1.00 34.32 H new ATOM 1025 N CYS A 65 -21.712 -1.202 -19.713 1.00 31.03 N ATOM 1026 CA CYS A 65 -21.350 -1.995 -18.545 1.00 22.54 C ATOM 1027 C CYS A 65 -22.595 -2.537 -17.847 1.00 44.05 C ATOM 1028 O CYS A 65 -23.721 -2.191 -18.205 1.00 63.04 O ATOM 1029 CB CYS A 65 -20.529 -1.154 -17.565 1.00 63.33 C ATOM 1030 SG CYS A 65 -18.804 -1.708 -17.374 1.00 21.42 S ATOM 0 H CYS A 65 -22.291 -0.388 -19.507 1.00 31.03 H new ATOM 0 HA CYS A 65 -20.748 -2.838 -18.883 1.00 22.54 H new ATOM 0 HB2 CYS A 65 -20.531 -0.117 -17.902 1.00 63.33 H new ATOM 0 HB3 CYS A 65 -21.016 -1.173 -16.590 1.00 63.33 H new ATOM 1035 N LYS A 66 -22.384 -3.388 -16.850 1.00 23.55 N ATOM 1036 CA LYS A 66 -23.487 -3.978 -16.100 1.00 2.32 C ATOM 1037 C LYS A 66 -24.504 -2.913 -15.701 1.00 23.00 C ATOM 1038 O LYS A 66 -25.707 -3.092 -15.882 1.00 71.13 O ATOM 1039 CB LYS A 66 -22.960 -4.688 -14.851 1.00 22.10 C ATOM 1040 CG LYS A 66 -23.543 -6.076 -14.649 1.00 13.22 C ATOM 1041 CD LYS A 66 -22.685 -6.910 -13.713 1.00 33.52 C ATOM 1042 CE LYS A 66 -23.331 -7.053 -12.343 1.00 74.43 C ATOM 1043 NZ LYS A 66 -22.401 -6.664 -11.248 1.00 21.43 N ATOM 0 H LYS A 66 -21.458 -3.685 -16.542 1.00 23.55 H new ATOM 0 HA LYS A 66 -23.982 -4.706 -16.743 1.00 2.32 H new ATOM 0 HB2 LYS A 66 -21.875 -4.765 -14.918 1.00 22.10 H new ATOM 0 HB3 LYS A 66 -23.183 -4.078 -13.975 1.00 22.10 H new ATOM 0 HG2 LYS A 66 -24.551 -5.993 -14.243 1.00 13.22 H new ATOM 0 HG3 LYS A 66 -23.628 -6.580 -15.612 1.00 13.22 H new ATOM 0 HD2 LYS A 66 -22.526 -7.897 -14.146 1.00 33.52 H new ATOM 0 HD3 LYS A 66 -21.704 -6.447 -13.607 1.00 33.52 H new ATOM 0 HE2 LYS A 66 -24.226 -6.432 -12.297 1.00 74.43 H new ATOM 0 HE3 LYS A 66 -23.651 -8.085 -12.198 1.00 74.43 H new ATOM 0 HZ1 LYS A 66 -22.879 -6.775 -10.331 1.00 21.43 H new ATOM 0 HZ2 LYS A 66 -21.558 -7.273 -11.276 1.00 21.43 H new ATOM 0 HZ3 LYS A 66 -22.115 -5.672 -11.371 1.00 21.43 H new ATOM 1057 N ASN A 67 -24.011 -1.804 -15.158 1.00 61.43 N ATOM 1058 CA ASN A 67 -24.877 -0.710 -14.735 1.00 32.32 C ATOM 1059 C ASN A 67 -25.615 -0.108 -15.927 1.00 3.22 C ATOM 1060 O ASN A 67 -26.800 0.210 -15.841 1.00 10.24 O ATOM 1061 CB ASN A 67 -24.059 0.372 -14.027 1.00 63.44 C ATOM 1062 CG ASN A 67 -24.578 1.768 -14.311 1.00 71.21 C ATOM 1063 OD1 ASN A 67 -24.487 2.260 -15.436 1.00 65.51 O ATOM 1064 ND2 ASN A 67 -25.127 2.414 -13.289 1.00 30.21 N ATOM 0 H ASN A 67 -23.017 -1.640 -15.001 1.00 61.43 H new ATOM 0 HA ASN A 67 -25.614 -1.112 -14.039 1.00 32.32 H new ATOM 0 HB2 ASN A 67 -24.077 0.192 -12.952 1.00 63.44 H new ATOM 0 HB3 ASN A 67 -23.018 0.303 -14.344 1.00 63.44 H new ATOM 0 HD21 ASN A 67 -25.494 3.357 -13.419 1.00 30.21 H new ATOM 0 HD22 ASN A 67 -25.181 1.968 -12.373 1.00 30.21 H new ATOM 1071 N GLY A 68 -24.904 0.046 -17.040 1.00 22.41 N ATOM 1072 CA GLY A 68 -25.507 0.609 -18.234 1.00 21.24 C ATOM 1073 C GLY A 68 -24.794 1.859 -18.709 1.00 1.22 C ATOM 1074 O GLY A 68 -25.387 2.701 -19.383 1.00 71.51 O ATOM 0 H GLY A 68 -23.921 -0.209 -17.136 1.00 22.41 H new ATOM 0 HA2 GLY A 68 -25.496 -0.136 -19.029 1.00 21.24 H new ATOM 0 HA3 GLY A 68 -26.552 0.845 -18.033 1.00 21.24 H new ATOM 1078 N GLN A 69 -23.519 1.982 -18.355 1.00 64.10 N ATOM 1079 CA GLN A 69 -22.725 3.141 -18.748 1.00 74.52 C ATOM 1080 C GLN A 69 -21.503 2.715 -19.555 1.00 54.03 C ATOM 1081 O GLN A 69 -21.249 1.525 -19.735 1.00 32.21 O ATOM 1082 CB GLN A 69 -22.286 3.928 -17.512 1.00 73.43 C ATOM 1083 CG GLN A 69 -23.367 4.840 -16.957 1.00 14.45 C ATOM 1084 CD GLN A 69 -24.106 5.599 -18.042 1.00 23.21 C ATOM 1085 OE1 GLN A 69 -23.509 6.377 -18.787 1.00 74.53 O ATOM 1086 NE2 GLN A 69 -25.411 5.376 -18.137 1.00 33.22 N ATOM 0 H GLN A 69 -23.013 1.294 -17.797 1.00 64.10 H new ATOM 0 HA GLN A 69 -23.347 3.780 -19.375 1.00 74.52 H new ATOM 0 HB2 GLN A 69 -21.979 3.227 -16.735 1.00 73.43 H new ATOM 0 HB3 GLN A 69 -21.411 4.527 -17.765 1.00 73.43 H new ATOM 0 HG2 GLN A 69 -24.080 4.246 -16.385 1.00 14.45 H new ATOM 0 HG3 GLN A 69 -22.917 5.551 -16.264 1.00 14.45 H new ATOM 0 HE21 GLN A 69 -25.865 4.723 -17.498 1.00 33.22 H new ATOM 0 HE22 GLN A 69 -25.960 5.858 -18.849 1.00 33.22 H new ATOM 1095 N GLY A 70 -20.749 3.697 -20.041 1.00 33.14 N ATOM 1096 CA GLY A 70 -19.563 3.404 -20.824 1.00 31.45 C ATOM 1097 C GLY A 70 -18.363 3.075 -19.957 1.00 53.24 C ATOM 1098 O GLY A 70 -17.244 3.490 -20.254 1.00 24.33 O ATOM 0 H GLY A 70 -20.939 4.690 -19.906 1.00 33.14 H new ATOM 0 HA2 GLY A 70 -19.768 2.565 -21.489 1.00 31.45 H new ATOM 0 HA3 GLY A 70 -19.327 4.261 -21.455 1.00 31.45 H new ATOM 1102 N ASN A 71 -18.598 2.329 -18.882 1.00 43.55 N ATOM 1103 CA ASN A 71 -17.527 1.948 -17.969 1.00 20.32 C ATOM 1104 C ASN A 71 -16.763 0.739 -18.501 1.00 43.31 C ATOM 1105 O ASN A 71 -15.706 0.381 -17.981 1.00 4.10 O ATOM 1106 CB ASN A 71 -18.097 1.635 -16.584 1.00 13.11 C ATOM 1107 CG ASN A 71 -17.014 1.324 -15.569 1.00 70.13 C ATOM 1108 OD1 ASN A 71 -16.471 0.114 -15.636 1.00 60.34 O flip ATOM 1109 ND2 ASN A 71 -16.670 2.162 -14.735 1.00 44.14 N flip ATOM 0 H ASN A 71 -19.519 1.977 -18.622 1.00 43.55 H new ATOM 0 HA ASN A 71 -16.835 2.787 -17.890 1.00 20.32 H new ATOM 0 HB2 ASN A 71 -18.684 2.485 -16.236 1.00 13.11 H new ATOM 0 HB3 ASN A 71 -18.777 0.786 -16.657 1.00 13.11 H new ATOM 0 HD21 ASN A 71 -17.115 3.080 -14.721 1.00 44.14 H new ATOM 0 HD22 ASN A 71 -15.940 1.939 -14.059 1.00 44.14 H new ATOM 1116 N CYS A 72 -17.304 0.115 -19.541 1.00 74.14 N ATOM 1117 CA CYS A 72 -16.675 -1.053 -20.145 1.00 61.25 C ATOM 1118 C CYS A 72 -16.104 -0.714 -21.519 1.00 40.13 C ATOM 1119 O CYS A 72 -16.404 0.338 -22.085 1.00 63.45 O ATOM 1120 CB CYS A 72 -17.685 -2.196 -20.269 1.00 24.13 C ATOM 1121 SG CYS A 72 -18.163 -2.940 -18.676 1.00 71.33 S ATOM 0 H CYS A 72 -18.178 0.399 -19.984 1.00 74.14 H new ATOM 0 HA CYS A 72 -15.856 -1.369 -19.498 1.00 61.25 H new ATOM 0 HB2 CYS A 72 -18.580 -1.824 -20.767 1.00 24.13 H new ATOM 0 HB3 CYS A 72 -17.264 -2.972 -20.908 1.00 24.13 H new ATOM 1126 N TYR A 73 -15.281 -1.611 -22.049 1.00 64.34 N ATOM 1127 CA TYR A 73 -14.666 -1.407 -23.356 1.00 4.24 C ATOM 1128 C TYR A 73 -14.238 -2.736 -23.970 1.00 44.13 C ATOM 1129 O TYR A 73 -14.032 -3.723 -23.264 1.00 71.20 O ATOM 1130 CB TYR A 73 -13.458 -0.476 -23.234 1.00 21.01 C ATOM 1131 CG TYR A 73 -13.632 0.610 -22.196 1.00 73.41 C ATOM 1132 CD1 TYR A 73 -13.597 0.313 -20.839 1.00 50.32 C ATOM 1133 CD2 TYR A 73 -13.831 1.932 -22.573 1.00 14.32 C ATOM 1134 CE1 TYR A 73 -13.757 1.302 -19.888 1.00 23.02 C ATOM 1135 CE2 TYR A 73 -13.991 2.928 -21.628 1.00 65.22 C ATOM 1136 CZ TYR A 73 -13.953 2.608 -20.287 1.00 61.41 C ATOM 1137 OH TYR A 73 -14.111 3.596 -19.342 1.00 61.44 O ATOM 0 H TYR A 73 -15.024 -2.487 -21.594 1.00 64.34 H new ATOM 0 HA TYR A 73 -15.407 -0.947 -24.010 1.00 4.24 H new ATOM 0 HB2 TYR A 73 -12.578 -1.068 -22.984 1.00 21.01 H new ATOM 0 HB3 TYR A 73 -13.267 -0.014 -24.203 1.00 21.01 H new ATOM 0 HD1 TYR A 73 -13.442 -0.708 -20.523 1.00 50.32 H new ATOM 0 HD2 TYR A 73 -13.861 2.186 -23.622 1.00 14.32 H new ATOM 0 HE1 TYR A 73 -13.729 1.054 -18.837 1.00 23.02 H new ATOM 0 HE2 TYR A 73 -14.145 3.951 -21.938 1.00 65.22 H new ATOM 0 HH TYR A 73 -13.244 3.800 -18.934 1.00 61.44 H new ATOM 1147 N LYS A 74 -14.104 -2.753 -25.292 1.00 75.12 N ATOM 1148 CA LYS A 74 -13.699 -3.959 -26.005 1.00 51.42 C ATOM 1149 C LYS A 74 -12.442 -3.705 -26.832 1.00 35.21 C ATOM 1150 O LYS A 74 -12.327 -2.681 -27.505 1.00 2.24 O ATOM 1151 CB LYS A 74 -14.831 -4.443 -26.914 1.00 20.51 C ATOM 1152 CG LYS A 74 -15.684 -5.537 -26.293 1.00 45.50 C ATOM 1153 CD LYS A 74 -16.500 -6.271 -27.343 1.00 61.11 C ATOM 1154 CE LYS A 74 -17.954 -5.824 -27.332 1.00 63.11 C ATOM 1155 NZ LYS A 74 -18.440 -5.484 -28.698 1.00 2.10 N ATOM 0 H LYS A 74 -14.270 -1.945 -25.892 1.00 75.12 H new ATOM 0 HA LYS A 74 -13.478 -4.731 -25.268 1.00 51.42 H new ATOM 0 HB2 LYS A 74 -15.469 -3.596 -27.168 1.00 20.51 H new ATOM 0 HB3 LYS A 74 -14.404 -4.812 -27.847 1.00 20.51 H new ATOM 0 HG2 LYS A 74 -15.043 -6.245 -25.768 1.00 45.50 H new ATOM 0 HG3 LYS A 74 -16.352 -5.101 -25.551 1.00 45.50 H new ATOM 0 HD2 LYS A 74 -16.071 -6.093 -28.329 1.00 61.11 H new ATOM 0 HD3 LYS A 74 -16.447 -7.345 -27.162 1.00 61.11 H new ATOM 0 HE2 LYS A 74 -18.574 -6.616 -26.913 1.00 63.11 H new ATOM 0 HE3 LYS A 74 -18.062 -4.956 -26.682 1.00 63.11 H new ATOM 0 HZ1 LYS A 74 -19.435 -5.184 -28.648 1.00 2.10 H new ATOM 0 HZ2 LYS A 74 -17.865 -4.711 -29.089 1.00 2.10 H new ATOM 0 HZ3 LYS A 74 -18.361 -6.319 -29.313 1.00 2.10 H new ATOM 1169 N SER A 75 -11.504 -4.645 -26.778 1.00 34.30 N ATOM 1170 CA SER A 75 -10.255 -4.522 -27.520 1.00 73.32 C ATOM 1171 C SER A 75 -10.525 -4.222 -28.992 1.00 21.34 C ATOM 1172 O SER A 75 -11.364 -4.863 -29.623 1.00 13.40 O ATOM 1173 CB SER A 75 -9.433 -5.806 -27.392 1.00 42.11 C ATOM 1174 OG SER A 75 -10.224 -6.948 -27.670 1.00 63.34 O ATOM 0 H SER A 75 -11.585 -5.500 -26.228 1.00 34.30 H new ATOM 0 HA SER A 75 -9.689 -3.693 -27.096 1.00 73.32 H new ATOM 0 HB2 SER A 75 -8.587 -5.770 -28.078 1.00 42.11 H new ATOM 0 HB3 SER A 75 -9.023 -5.880 -26.385 1.00 42.11 H new ATOM 0 HG SER A 75 -9.993 -7.299 -28.555 1.00 63.34 H new ATOM 1180 N ASN A 76 -9.806 -3.243 -29.531 1.00 21.12 N ATOM 1181 CA ASN A 76 -9.967 -2.856 -30.928 1.00 32.53 C ATOM 1182 C ASN A 76 -9.829 -4.067 -31.846 1.00 53.45 C ATOM 1183 O ASN A 76 -10.231 -4.025 -33.009 1.00 61.03 O ATOM 1184 CB ASN A 76 -8.934 -1.794 -31.307 1.00 0.31 C ATOM 1185 CG ASN A 76 -9.436 -0.861 -32.392 1.00 43.13 C ATOM 1186 OD1 ASN A 76 -8.971 -0.909 -33.531 1.00 44.32 O ATOM 1187 ND2 ASN A 76 -10.390 -0.006 -32.043 1.00 3.21 N ATOM 0 H ASN A 76 -9.106 -2.703 -29.022 1.00 21.12 H new ATOM 0 HA ASN A 76 -10.967 -2.440 -31.052 1.00 32.53 H new ATOM 0 HB2 ASN A 76 -8.674 -1.212 -30.423 1.00 0.31 H new ATOM 0 HB3 ASN A 76 -8.021 -2.284 -31.646 1.00 0.31 H new ATOM 0 HD21 ASN A 76 -10.767 0.646 -32.731 1.00 3.21 H new ATOM 0 HD22 ASN A 76 -10.746 -0.001 -31.087 1.00 3.21 H new ATOM 1194 N SER A 77 -9.259 -5.144 -31.316 1.00 11.31 N ATOM 1195 CA SER A 77 -9.065 -6.365 -32.089 1.00 0.04 C ATOM 1196 C SER A 77 -8.826 -7.558 -31.168 1.00 73.12 C ATOM 1197 O SER A 77 -8.779 -7.414 -29.947 1.00 4.04 O ATOM 1198 CB SER A 77 -7.885 -6.204 -33.049 1.00 54.35 C ATOM 1199 OG SER A 77 -8.326 -6.168 -34.396 1.00 3.00 O ATOM 0 H SER A 77 -8.923 -5.196 -30.354 1.00 11.31 H new ATOM 0 HA SER A 77 -9.971 -6.548 -32.666 1.00 0.04 H new ATOM 0 HB2 SER A 77 -7.344 -5.287 -32.815 1.00 54.35 H new ATOM 0 HB3 SER A 77 -7.186 -7.030 -32.913 1.00 54.35 H new ATOM 0 HG SER A 77 -7.554 -6.063 -34.990 1.00 3.00 H new ATOM 1205 N SER A 78 -8.677 -8.737 -31.764 1.00 40.32 N ATOM 1206 CA SER A 78 -8.447 -9.957 -30.999 1.00 41.41 C ATOM 1207 C SER A 78 -7.176 -9.842 -30.163 1.00 1.31 C ATOM 1208 O SER A 78 -6.355 -8.951 -30.380 1.00 54.34 O ATOM 1209 CB SER A 78 -8.347 -11.161 -31.937 1.00 44.12 C ATOM 1210 OG SER A 78 -7.429 -10.914 -32.988 1.00 44.20 O ATOM 0 H SER A 78 -8.711 -8.873 -32.774 1.00 40.32 H new ATOM 0 HA SER A 78 -9.292 -10.099 -30.326 1.00 41.41 H new ATOM 0 HB2 SER A 78 -8.032 -12.039 -31.374 1.00 44.12 H new ATOM 0 HB3 SER A 78 -9.329 -11.384 -32.353 1.00 44.12 H new ATOM 0 HG SER A 78 -7.382 -11.699 -33.573 1.00 44.20 H new ATOM 1216 N MET A 79 -7.021 -10.750 -29.206 1.00 21.44 N ATOM 1217 CA MET A 79 -5.850 -10.752 -28.337 1.00 24.42 C ATOM 1218 C MET A 79 -5.616 -12.138 -27.743 1.00 44.10 C ATOM 1219 O MET A 79 -6.564 -12.850 -27.410 1.00 43.22 O ATOM 1220 CB MET A 79 -6.018 -9.726 -27.215 1.00 53.11 C ATOM 1221 CG MET A 79 -5.226 -8.448 -27.437 1.00 0.31 C ATOM 1222 SD MET A 79 -6.266 -6.975 -27.427 1.00 74.15 S ATOM 1223 CE MET A 79 -5.981 -6.370 -25.766 1.00 14.10 C ATOM 0 H MET A 79 -7.691 -11.494 -29.012 1.00 21.44 H new ATOM 0 HA MET A 79 -4.982 -10.482 -28.939 1.00 24.42 H new ATOM 0 HB2 MET A 79 -7.075 -9.477 -27.117 1.00 53.11 H new ATOM 0 HB3 MET A 79 -5.708 -10.177 -26.272 1.00 53.11 H new ATOM 0 HG2 MET A 79 -4.466 -8.357 -26.661 1.00 0.31 H new ATOM 0 HG3 MET A 79 -4.702 -8.511 -28.390 1.00 0.31 H new ATOM 0 HE1 MET A 79 -6.932 -6.288 -25.240 1.00 14.10 H new ATOM 0 HE2 MET A 79 -5.330 -7.063 -25.233 1.00 14.10 H new ATOM 0 HE3 MET A 79 -5.507 -5.390 -25.812 1.00 14.10 H new ATOM 1233 N HIS A 80 -4.348 -12.515 -27.613 1.00 45.21 N ATOM 1234 CA HIS A 80 -3.990 -13.816 -27.059 1.00 5.31 C ATOM 1235 C HIS A 80 -4.513 -13.962 -25.633 1.00 55.34 C ATOM 1236 O HIS A 80 -4.359 -13.059 -24.810 1.00 20.42 O ATOM 1237 CB HIS A 80 -2.472 -14.002 -27.079 1.00 11.15 C ATOM 1238 CG HIS A 80 -1.858 -13.771 -28.425 1.00 4.33 C ATOM 1239 ND1 HIS A 80 -1.145 -12.634 -28.741 1.00 43.43 N ATOM 1240 CD2 HIS A 80 -1.851 -14.539 -29.539 1.00 31.53 C ATOM 1241 CE1 HIS A 80 -0.728 -12.712 -29.992 1.00 62.24 C ATOM 1242 NE2 HIS A 80 -1.143 -13.859 -30.499 1.00 23.44 N ATOM 0 H HIS A 80 -3.551 -11.938 -27.884 1.00 45.21 H new ATOM 0 HA HIS A 80 -4.451 -14.586 -27.677 1.00 5.31 H new ATOM 0 HB2 HIS A 80 -2.021 -13.317 -26.361 1.00 11.15 H new ATOM 0 HB3 HIS A 80 -2.234 -15.013 -26.749 1.00 11.15 H new ATOM 0 HD2 HIS A 80 -2.316 -15.507 -29.652 1.00 31.53 H new ATOM 0 HE1 HIS A 80 -0.147 -11.965 -30.512 1.00 62.24 H new ATOM 0 HE2 HIS A 80 -0.966 -14.186 -31.449 1.00 23.44 H new ATOM 1250 N ILE A 81 -5.133 -15.102 -25.350 1.00 75.21 N ATOM 1251 CA ILE A 81 -5.679 -15.365 -24.024 1.00 75.45 C ATOM 1252 C ILE A 81 -5.743 -16.863 -23.743 1.00 41.15 C ATOM 1253 O ILE A 81 -5.713 -17.681 -24.664 1.00 1.14 O ATOM 1254 CB ILE A 81 -7.089 -14.765 -23.867 1.00 2.24 C ATOM 1255 CG1 ILE A 81 -8.094 -15.533 -24.727 1.00 63.23 C ATOM 1256 CG2 ILE A 81 -7.081 -13.290 -24.241 1.00 31.20 C ATOM 1257 CD1 ILE A 81 -8.049 -15.155 -26.191 1.00 62.43 C ATOM 0 H ILE A 81 -5.270 -15.858 -26.021 1.00 75.21 H new ATOM 0 HA ILE A 81 -5.009 -14.891 -23.307 1.00 75.45 H new ATOM 0 HB ILE A 81 -7.391 -14.854 -22.824 1.00 2.24 H new ATOM 0 HG12 ILE A 81 -7.901 -16.601 -24.630 1.00 63.23 H new ATOM 0 HG13 ILE A 81 -9.099 -15.354 -24.345 1.00 63.23 H new ATOM 0 HG21 ILE A 81 -8.084 -12.880 -24.125 1.00 31.20 H new ATOM 0 HG22 ILE A 81 -6.392 -12.753 -23.589 1.00 31.20 H new ATOM 0 HG23 ILE A 81 -6.761 -13.179 -25.277 1.00 31.20 H new ATOM 0 HD11 ILE A 81 -8.788 -15.739 -26.740 1.00 62.43 H new ATOM 0 HD12 ILE A 81 -8.271 -14.093 -26.300 1.00 62.43 H new ATOM 0 HD13 ILE A 81 -7.055 -15.360 -26.589 1.00 62.43 H new ATOM 1269 N THR A 82 -5.832 -17.216 -22.465 1.00 35.40 N ATOM 1270 CA THR A 82 -5.901 -18.615 -22.062 1.00 20.22 C ATOM 1271 C THR A 82 -7.177 -18.900 -21.278 1.00 1.44 C ATOM 1272 O THR A 82 -7.292 -18.534 -20.108 1.00 15.42 O ATOM 1273 CB THR A 82 -4.685 -19.013 -21.204 1.00 12.35 C ATOM 1274 OG1 THR A 82 -3.505 -19.052 -22.014 1.00 13.31 O ATOM 1275 CG2 THR A 82 -4.904 -20.369 -20.551 1.00 64.52 C ATOM 0 H THR A 82 -5.858 -16.552 -21.691 1.00 35.40 H new ATOM 0 HA THR A 82 -5.901 -19.207 -22.977 1.00 20.22 H new ATOM 0 HB THR A 82 -4.562 -18.266 -20.420 1.00 12.35 H new ATOM 0 HG1 THR A 82 -2.743 -18.716 -21.498 1.00 13.31 H new ATOM 0 HG21 THR A 82 -4.032 -20.629 -19.950 1.00 64.52 H new ATOM 0 HG22 THR A 82 -5.786 -20.327 -19.912 1.00 64.52 H new ATOM 0 HG23 THR A 82 -5.051 -21.125 -21.322 1.00 64.52 H new ATOM 1283 N ASP A 83 -8.132 -19.554 -21.928 1.00 71.44 N ATOM 1284 CA ASP A 83 -9.400 -19.890 -21.291 1.00 10.32 C ATOM 1285 C ASP A 83 -9.174 -20.748 -20.050 1.00 11.41 C ATOM 1286 O ASP A 83 -8.206 -21.505 -19.973 1.00 74.25 O ATOM 1287 CB ASP A 83 -10.312 -20.624 -22.275 1.00 24.40 C ATOM 1288 CG ASP A 83 -11.774 -20.271 -22.084 1.00 45.14 C ATOM 1289 OD1 ASP A 83 -12.145 -19.865 -20.963 1.00 61.01 O ATOM 1290 OD2 ASP A 83 -12.546 -20.399 -23.057 1.00 31.42 O ATOM 0 H ASP A 83 -8.053 -19.863 -22.897 1.00 71.44 H new ATOM 0 HA ASP A 83 -9.882 -18.961 -20.986 1.00 10.32 H new ATOM 0 HB2 ASP A 83 -10.013 -20.380 -23.294 1.00 24.40 H new ATOM 0 HB3 ASP A 83 -10.182 -21.699 -22.153 1.00 24.40 H new ATOM 1295 N CYS A 84 -10.073 -20.623 -19.079 1.00 3.20 N ATOM 1296 CA CYS A 84 -9.972 -21.385 -17.840 1.00 62.03 C ATOM 1297 C CYS A 84 -11.349 -21.597 -17.218 1.00 51.13 C ATOM 1298 O CYS A 84 -11.905 -20.693 -16.594 1.00 73.31 O ATOM 1299 CB CYS A 84 -9.057 -20.665 -16.847 1.00 61.53 C ATOM 1300 SG CYS A 84 -7.453 -20.159 -17.547 1.00 22.13 S ATOM 0 H CYS A 84 -10.880 -20.001 -19.127 1.00 3.20 H new ATOM 0 HA CYS A 84 -9.545 -22.360 -18.076 1.00 62.03 H new ATOM 0 HB2 CYS A 84 -9.572 -19.781 -16.470 1.00 61.53 H new ATOM 0 HB3 CYS A 84 -8.879 -21.319 -15.993 1.00 61.53 H new ATOM 1305 N ARG A 85 -11.893 -22.797 -17.393 1.00 41.12 N ATOM 1306 CA ARG A 85 -13.205 -23.128 -16.850 1.00 41.43 C ATOM 1307 C ARG A 85 -13.147 -24.418 -16.038 1.00 15.24 C ATOM 1308 O ARG A 85 -12.433 -25.356 -16.392 1.00 72.54 O ATOM 1309 CB ARG A 85 -14.227 -23.269 -17.980 1.00 0.22 C ATOM 1310 CG ARG A 85 -15.551 -23.865 -17.532 1.00 33.23 C ATOM 1311 CD ARG A 85 -16.629 -23.688 -18.590 1.00 44.22 C ATOM 1312 NE ARG A 85 -17.970 -23.687 -18.012 1.00 5.35 N ATOM 1313 CZ ARG A 85 -19.020 -23.116 -18.591 1.00 63.34 C ATOM 1314 NH1 ARG A 85 -18.885 -22.505 -19.760 1.00 0.30 N ATOM 1315 NH2 ARG A 85 -20.208 -23.157 -18.002 1.00 70.53 N ATOM 0 H ARG A 85 -11.445 -23.556 -17.907 1.00 41.12 H new ATOM 0 HA ARG A 85 -13.513 -22.317 -16.190 1.00 41.43 H new ATOM 0 HB2 ARG A 85 -14.410 -22.288 -18.418 1.00 0.22 H new ATOM 0 HB3 ARG A 85 -13.804 -23.895 -18.766 1.00 0.22 H new ATOM 0 HG2 ARG A 85 -15.420 -24.926 -17.319 1.00 33.23 H new ATOM 0 HG3 ARG A 85 -15.869 -23.390 -16.604 1.00 33.23 H new ATOM 0 HD2 ARG A 85 -16.463 -22.752 -19.123 1.00 44.22 H new ATOM 0 HD3 ARG A 85 -16.551 -24.490 -19.324 1.00 44.22 H new ATOM 0 HE ARG A 85 -18.108 -24.150 -17.114 1.00 5.35 H new ATOM 0 HH11 ARG A 85 -17.973 -22.473 -20.216 1.00 0.30 H new ATOM 0 HH12 ARG A 85 -19.693 -22.067 -20.203 1.00 0.30 H new ATOM 0 HH21 ARG A 85 -20.316 -23.627 -17.103 1.00 70.53 H new ATOM 0 HH22 ARG A 85 -21.014 -22.718 -18.448 1.00 70.53 H new ATOM 1329 N LEU A 86 -13.903 -24.457 -14.946 1.00 34.21 N ATOM 1330 CA LEU A 86 -13.939 -25.632 -14.082 1.00 3.13 C ATOM 1331 C LEU A 86 -14.228 -26.893 -14.889 1.00 72.30 C ATOM 1332 O LEU A 86 -14.785 -26.828 -15.986 1.00 24.22 O ATOM 1333 CB LEU A 86 -14.997 -25.456 -12.992 1.00 35.02 C ATOM 1334 CG LEU A 86 -14.478 -25.060 -11.609 1.00 51.12 C ATOM 1335 CD1 LEU A 86 -15.627 -24.954 -10.618 1.00 5.41 C ATOM 1336 CD2 LEU A 86 -13.441 -26.062 -11.122 1.00 15.32 C ATOM 0 H LEU A 86 -14.499 -23.689 -14.638 1.00 34.21 H new ATOM 0 HA LEU A 86 -12.960 -25.739 -13.615 1.00 3.13 H new ATOM 0 HB2 LEU A 86 -15.707 -24.698 -13.322 1.00 35.02 H new ATOM 0 HB3 LEU A 86 -15.550 -26.390 -12.896 1.00 35.02 H new ATOM 0 HG LEU A 86 -14.001 -24.083 -11.686 1.00 51.12 H new ATOM 0 HD11 LEU A 86 -15.239 -24.671 -9.640 1.00 5.41 H new ATOM 0 HD12 LEU A 86 -16.334 -24.198 -10.960 1.00 5.41 H new ATOM 0 HD13 LEU A 86 -16.133 -25.917 -10.543 1.00 5.41 H new ATOM 0 HD21 LEU A 86 -13.082 -25.765 -10.137 1.00 15.32 H new ATOM 0 HD22 LEU A 86 -13.893 -27.052 -11.060 1.00 15.32 H new ATOM 0 HD23 LEU A 86 -12.604 -26.088 -11.820 1.00 15.32 H new ATOM 1348 N THR A 87 -13.849 -28.042 -14.338 1.00 60.43 N ATOM 1349 CA THR A 87 -14.069 -29.319 -15.006 1.00 65.10 C ATOM 1350 C THR A 87 -13.974 -30.478 -14.021 1.00 24.43 C ATOM 1351 O THR A 87 -13.378 -30.350 -12.952 1.00 12.40 O ATOM 1352 CB THR A 87 -13.052 -29.541 -16.142 1.00 20.22 C ATOM 1353 OG1 THR A 87 -11.764 -29.054 -15.749 1.00 20.54 O ATOM 1354 CG2 THR A 87 -13.499 -28.837 -17.414 1.00 13.32 C ATOM 0 H THR A 87 -13.388 -28.114 -13.431 1.00 60.43 H new ATOM 0 HA THR A 87 -15.073 -29.286 -15.428 1.00 65.10 H new ATOM 0 HB THR A 87 -12.990 -30.611 -16.340 1.00 20.22 H new ATOM 0 HG1 THR A 87 -11.123 -29.200 -16.476 1.00 20.54 H new ATOM 0 HG21 THR A 87 -12.765 -29.008 -18.202 1.00 13.32 H new ATOM 0 HG22 THR A 87 -14.466 -29.231 -17.727 1.00 13.32 H new ATOM 0 HG23 THR A 87 -13.587 -27.767 -17.226 1.00 13.32 H new ATOM 1362 N ASN A 88 -14.564 -31.611 -14.388 1.00 13.00 N ATOM 1363 CA ASN A 88 -14.546 -32.794 -13.535 1.00 62.03 C ATOM 1364 C ASN A 88 -15.294 -32.536 -12.231 1.00 24.12 C ATOM 1365 O ASN A 88 -14.938 -33.073 -11.182 1.00 42.45 O ATOM 1366 CB ASN A 88 -13.104 -33.210 -13.236 1.00 72.11 C ATOM 1367 CG ASN A 88 -12.555 -34.176 -14.268 1.00 51.14 C ATOM 1368 OD1 ASN A 88 -11.885 -33.771 -15.218 1.00 64.44 O ATOM 1369 ND2 ASN A 88 -12.838 -35.460 -14.086 1.00 72.42 N ATOM 0 H ASN A 88 -15.060 -31.735 -15.270 1.00 13.00 H new ATOM 0 HA ASN A 88 -15.048 -33.603 -14.066 1.00 62.03 H new ATOM 0 HB2 ASN A 88 -12.472 -32.322 -13.201 1.00 72.11 H new ATOM 0 HB3 ASN A 88 -13.059 -33.672 -12.250 1.00 72.11 H new ATOM 0 HD21 ASN A 88 -12.496 -36.156 -14.748 1.00 72.42 H new ATOM 0 HD22 ASN A 88 -13.397 -35.750 -13.284 1.00 72.42 H new ATOM 1376 N GLY A 89 -16.333 -31.710 -12.304 1.00 73.31 N ATOM 1377 CA GLY A 89 -17.116 -31.396 -11.123 1.00 5.21 C ATOM 1378 C GLY A 89 -16.255 -30.930 -9.965 1.00 13.00 C ATOM 1379 O GLY A 89 -16.666 -31.007 -8.807 1.00 71.42 O ATOM 0 H GLY A 89 -16.647 -31.253 -13.160 1.00 73.31 H new ATOM 0 HA2 GLY A 89 -17.842 -30.620 -11.367 1.00 5.21 H new ATOM 0 HA3 GLY A 89 -17.681 -32.278 -10.820 1.00 5.21 H new ATOM 1383 N SER A 90 -15.057 -30.446 -10.277 1.00 32.21 N ATOM 1384 CA SER A 90 -14.134 -29.971 -9.253 1.00 32.32 C ATOM 1385 C SER A 90 -14.810 -28.949 -8.344 1.00 35.42 C ATOM 1386 O SER A 90 -15.695 -28.209 -8.774 1.00 30.10 O ATOM 1387 CB SER A 90 -12.894 -29.352 -9.901 1.00 33.40 C ATOM 1388 OG SER A 90 -11.739 -30.131 -9.638 1.00 55.45 O ATOM 0 H SER A 90 -14.703 -30.373 -11.231 1.00 32.21 H new ATOM 0 HA SER A 90 -13.831 -30.826 -8.648 1.00 32.32 H new ATOM 0 HB2 SER A 90 -13.044 -29.271 -10.978 1.00 33.40 H new ATOM 0 HB3 SER A 90 -12.748 -28.340 -9.522 1.00 33.40 H new ATOM 0 HG SER A 90 -11.150 -29.645 -9.024 1.00 55.45 H new ATOM 1394 N ARG A 91 -14.387 -28.916 -7.084 1.00 53.34 N ATOM 1395 CA ARG A 91 -14.952 -27.986 -6.113 1.00 60.33 C ATOM 1396 C ARG A 91 -13.980 -27.745 -4.962 1.00 63.33 C ATOM 1397 O ARG A 91 -13.154 -28.601 -4.644 1.00 62.43 O ATOM 1398 CB ARG A 91 -16.277 -28.525 -5.571 1.00 53.32 C ATOM 1399 CG ARG A 91 -17.499 -27.955 -6.273 1.00 50.23 C ATOM 1400 CD ARG A 91 -17.683 -26.478 -5.961 1.00 45.21 C ATOM 1401 NE ARG A 91 -18.127 -26.260 -4.587 1.00 54.02 N ATOM 1402 CZ ARG A 91 -18.495 -25.075 -4.113 1.00 5.21 C ATOM 1403 NH1 ARG A 91 -18.470 -24.006 -4.898 1.00 33.43 N ATOM 1404 NH2 ARG A 91 -18.887 -24.957 -2.851 1.00 14.40 N ATOM 0 H ARG A 91 -13.656 -29.522 -6.712 1.00 53.34 H new ATOM 0 HA ARG A 91 -15.133 -27.037 -6.618 1.00 60.33 H new ATOM 0 HB2 ARG A 91 -16.285 -29.611 -5.669 1.00 53.32 H new ATOM 0 HB3 ARG A 91 -16.342 -28.301 -4.506 1.00 53.32 H new ATOM 0 HG2 ARG A 91 -17.397 -28.091 -7.350 1.00 50.23 H new ATOM 0 HG3 ARG A 91 -18.387 -28.506 -5.965 1.00 50.23 H new ATOM 0 HD2 ARG A 91 -16.742 -25.953 -6.126 1.00 45.21 H new ATOM 0 HD3 ARG A 91 -18.412 -26.050 -6.650 1.00 45.21 H new ATOM 0 HE ARG A 91 -18.156 -27.062 -3.957 1.00 54.02 H new ATOM 0 HH11 ARG A 91 -18.168 -24.093 -5.868 1.00 33.43 H new ATOM 0 HH12 ARG A 91 -18.753 -23.097 -4.531 1.00 33.43 H new ATOM 0 HH21 ARG A 91 -18.906 -25.777 -2.244 1.00 14.40 H new ATOM 0 HH22 ARG A 91 -19.169 -24.047 -2.488 1.00 14.40 H new ATOM 1418 N TYR A 92 -14.083 -26.575 -4.342 1.00 74.15 N ATOM 1419 CA TYR A 92 -13.212 -26.220 -3.229 1.00 44.00 C ATOM 1420 C TYR A 92 -13.220 -27.310 -2.161 1.00 53.23 C ATOM 1421 O TYR A 92 -14.251 -27.913 -1.861 1.00 42.05 O ATOM 1422 CB TYR A 92 -13.648 -24.888 -2.617 1.00 42.42 C ATOM 1423 CG TYR A 92 -12.865 -24.503 -1.382 1.00 62.31 C ATOM 1424 CD1 TYR A 92 -13.125 -25.103 -0.156 1.00 72.42 C ATOM 1425 CD2 TYR A 92 -11.866 -23.540 -1.441 1.00 3.34 C ATOM 1426 CE1 TYR A 92 -12.413 -24.755 0.975 1.00 20.12 C ATOM 1427 CE2 TYR A 92 -11.147 -23.186 -0.315 1.00 35.32 C ATOM 1428 CZ TYR A 92 -11.425 -23.796 0.891 1.00 61.53 C ATOM 1429 OH TYR A 92 -10.713 -23.446 2.015 1.00 64.13 O ATOM 0 H TYR A 92 -14.762 -25.856 -4.592 1.00 74.15 H new ATOM 0 HA TYR A 92 -12.197 -26.121 -3.613 1.00 44.00 H new ATOM 0 HB2 TYR A 92 -13.541 -24.102 -3.365 1.00 42.42 H new ATOM 0 HB3 TYR A 92 -14.707 -24.944 -2.363 1.00 42.42 H new ATOM 0 HD1 TYR A 92 -13.897 -25.855 -0.086 1.00 72.42 H new ATOM 0 HD2 TYR A 92 -11.647 -23.059 -2.383 1.00 3.34 H new ATOM 0 HE1 TYR A 92 -12.629 -25.231 1.920 1.00 20.12 H new ATOM 0 HE2 TYR A 92 -10.372 -22.436 -0.379 1.00 35.32 H new ATOM 0 HH TYR A 92 -10.054 -22.758 1.784 1.00 64.13 H new ATOM 1439 N PRO A 93 -12.043 -27.569 -1.572 1.00 54.33 N ATOM 1440 CA PRO A 93 -10.810 -26.858 -1.921 1.00 40.44 C ATOM 1441 C PRO A 93 -10.305 -27.222 -3.313 1.00 62.12 C ATOM 1442 O PRO A 93 -9.522 -26.486 -3.912 1.00 53.31 O ATOM 1443 CB PRO A 93 -9.817 -27.323 -0.853 1.00 75.42 C ATOM 1444 CG PRO A 93 -10.328 -28.653 -0.416 1.00 0.22 C ATOM 1445 CD PRO A 93 -11.826 -28.576 -0.520 1.00 71.04 C ATOM 0 HA PRO A 93 -10.956 -25.778 -1.945 1.00 40.44 H new ATOM 0 HB2 PRO A 93 -8.808 -27.400 -1.257 1.00 75.42 H new ATOM 0 HB3 PRO A 93 -9.774 -26.622 -0.020 1.00 75.42 H new ATOM 0 HG2 PRO A 93 -9.933 -29.449 -1.047 1.00 0.22 H new ATOM 0 HG3 PRO A 93 -10.019 -28.873 0.606 1.00 0.22 H new ATOM 0 HD2 PRO A 93 -12.260 -29.539 -0.790 1.00 71.04 H new ATOM 0 HD3 PRO A 93 -12.280 -28.275 0.424 1.00 71.04 H new ATOM 1453 N ASN A 94 -10.758 -28.363 -3.822 1.00 71.21 N ATOM 1454 CA ASN A 94 -10.351 -28.825 -5.144 1.00 72.32 C ATOM 1455 C ASN A 94 -10.730 -27.808 -6.216 1.00 60.14 C ATOM 1456 O ASN A 94 -11.799 -27.200 -6.161 1.00 12.22 O ATOM 1457 CB ASN A 94 -10.998 -30.177 -5.456 1.00 44.52 C ATOM 1458 CG ASN A 94 -11.106 -31.063 -4.230 1.00 44.33 C ATOM 1459 OD1 ASN A 94 -10.387 -30.873 -3.249 1.00 33.24 O ATOM 1460 ND2 ASN A 94 -12.006 -32.037 -4.282 1.00 73.13 N ATOM 0 H ASN A 94 -11.407 -28.985 -3.339 1.00 71.21 H new ATOM 0 HA ASN A 94 -9.267 -28.940 -5.144 1.00 72.32 H new ATOM 0 HB2 ASN A 94 -11.992 -30.014 -5.872 1.00 44.52 H new ATOM 0 HB3 ASN A 94 -10.413 -30.689 -6.220 1.00 44.52 H new ATOM 0 HD21 ASN A 94 -12.124 -32.666 -3.487 1.00 73.13 H new ATOM 0 HD22 ASN A 94 -12.580 -32.157 -5.116 1.00 73.13 H new ATOM 1467 N CYS A 95 -9.846 -27.629 -7.192 1.00 53.24 N ATOM 1468 CA CYS A 95 -10.086 -26.686 -8.278 1.00 73.13 C ATOM 1469 C CYS A 95 -9.413 -27.155 -9.565 1.00 31.42 C ATOM 1470 O CYS A 95 -8.193 -27.077 -9.703 1.00 41.54 O ATOM 1471 CB CYS A 95 -9.572 -25.296 -7.898 1.00 61.31 C ATOM 1472 SG CYS A 95 -10.633 -24.409 -6.712 1.00 60.34 S ATOM 0 H CYS A 95 -8.957 -28.125 -7.253 1.00 53.24 H new ATOM 0 HA CYS A 95 -11.161 -26.634 -8.449 1.00 73.13 H new ATOM 0 HB2 CYS A 95 -8.573 -25.393 -7.473 1.00 61.31 H new ATOM 0 HB3 CYS A 95 -9.476 -24.696 -8.803 1.00 61.31 H new ATOM 1477 N ALA A 96 -10.218 -27.643 -10.503 1.00 62.41 N ATOM 1478 CA ALA A 96 -9.701 -28.123 -11.779 1.00 20.22 C ATOM 1479 C ALA A 96 -10.298 -27.340 -12.943 1.00 14.22 C ATOM 1480 O ALA A 96 -11.518 -27.214 -13.058 1.00 42.20 O ATOM 1481 CB ALA A 96 -9.986 -29.609 -11.939 1.00 32.14 C ATOM 0 H ALA A 96 -11.230 -27.716 -10.403 1.00 62.41 H new ATOM 0 HA ALA A 96 -8.622 -27.968 -11.787 1.00 20.22 H new ATOM 0 HB1 ALA A 96 -9.594 -29.954 -12.896 1.00 32.14 H new ATOM 0 HB2 ALA A 96 -9.506 -30.161 -11.131 1.00 32.14 H new ATOM 0 HB3 ALA A 96 -11.062 -29.779 -11.905 1.00 32.14 H new ATOM 1487 N TYR A 97 -9.433 -26.815 -13.803 1.00 3.24 N ATOM 1488 CA TYR A 97 -9.875 -26.041 -14.956 1.00 53.42 C ATOM 1489 C TYR A 97 -9.302 -26.613 -16.249 1.00 4.12 C ATOM 1490 O TYR A 97 -8.342 -27.384 -16.227 1.00 41.44 O ATOM 1491 CB TYR A 97 -9.459 -24.577 -14.804 1.00 42.45 C ATOM 1492 CG TYR A 97 -9.697 -24.020 -13.419 1.00 41.21 C ATOM 1493 CD1 TYR A 97 -10.982 -23.919 -12.901 1.00 54.02 C ATOM 1494 CD2 TYR A 97 -8.637 -23.594 -12.628 1.00 40.54 C ATOM 1495 CE1 TYR A 97 -11.205 -23.410 -11.636 1.00 60.32 C ATOM 1496 CE2 TYR A 97 -8.850 -23.085 -11.362 1.00 10.11 C ATOM 1497 CZ TYR A 97 -10.136 -22.995 -10.870 1.00 64.13 C ATOM 1498 OH TYR A 97 -10.352 -22.488 -9.610 1.00 11.34 O ATOM 0 H TYR A 97 -8.421 -26.912 -13.723 1.00 3.24 H new ATOM 0 HA TYR A 97 -10.962 -26.099 -15.005 1.00 53.42 H new ATOM 0 HB2 TYR A 97 -8.401 -24.482 -15.048 1.00 42.45 H new ATOM 0 HB3 TYR A 97 -10.008 -23.975 -15.528 1.00 42.45 H new ATOM 0 HD1 TYR A 97 -11.822 -24.244 -13.498 1.00 54.02 H new ATOM 0 HD2 TYR A 97 -7.629 -23.662 -13.010 1.00 40.54 H new ATOM 0 HE1 TYR A 97 -12.211 -23.338 -11.249 1.00 60.32 H new ATOM 0 HE2 TYR A 97 -8.014 -22.759 -10.760 1.00 10.11 H new ATOM 0 HH TYR A 97 -10.906 -23.112 -9.097 1.00 11.34 H new ATOM 1508 N ARG A 98 -9.897 -26.229 -17.373 1.00 62.14 N ATOM 1509 CA ARG A 98 -9.447 -26.703 -18.676 1.00 64.44 C ATOM 1510 C ARG A 98 -8.792 -25.576 -19.469 1.00 52.41 C ATOM 1511 O ARG A 98 -9.476 -24.723 -20.037 1.00 65.13 O ATOM 1512 CB ARG A 98 -10.622 -27.281 -19.467 1.00 31.23 C ATOM 1513 CG ARG A 98 -10.553 -28.789 -19.646 1.00 10.00 C ATOM 1514 CD ARG A 98 -10.617 -29.179 -21.114 1.00 54.14 C ATOM 1515 NE ARG A 98 -9.328 -29.652 -21.612 1.00 55.12 N ATOM 1516 CZ ARG A 98 -8.909 -30.906 -21.491 1.00 32.54 C ATOM 1517 NH1 ARG A 98 -9.673 -31.809 -20.891 1.00 74.23 N ATOM 1518 NH2 ARG A 98 -7.723 -31.260 -21.970 1.00 34.45 N ATOM 0 H ARG A 98 -10.692 -25.591 -17.408 1.00 62.14 H new ATOM 0 HA ARG A 98 -8.707 -27.487 -18.513 1.00 64.44 H new ATOM 0 HB2 ARG A 98 -11.552 -27.026 -18.958 1.00 31.23 H new ATOM 0 HB3 ARG A 98 -10.656 -26.808 -20.449 1.00 31.23 H new ATOM 0 HG2 ARG A 98 -9.629 -29.167 -19.208 1.00 10.00 H new ATOM 0 HG3 ARG A 98 -11.376 -29.258 -19.107 1.00 10.00 H new ATOM 0 HD2 ARG A 98 -11.366 -29.959 -21.249 1.00 54.14 H new ATOM 0 HD3 ARG A 98 -10.940 -28.321 -21.703 1.00 54.14 H new ATOM 0 HE ARG A 98 -8.716 -28.982 -22.078 1.00 55.12 H new ATOM 0 HH11 ARG A 98 -10.585 -31.541 -20.521 1.00 74.23 H new ATOM 0 HH12 ARG A 98 -9.349 -32.772 -20.799 1.00 74.23 H new ATOM 0 HH21 ARG A 98 -7.132 -30.568 -22.432 1.00 34.45 H new ATOM 0 HH22 ARG A 98 -7.402 -32.224 -21.876 1.00 34.45 H new ATOM 1532 N THR A 99 -7.463 -25.577 -19.503 1.00 11.52 N ATOM 1533 CA THR A 99 -6.716 -24.554 -20.224 1.00 12.54 C ATOM 1534 C THR A 99 -6.980 -24.634 -21.723 1.00 11.12 C ATOM 1535 O THR A 99 -6.626 -25.617 -22.373 1.00 62.13 O ATOM 1536 CB THR A 99 -5.202 -24.682 -19.973 1.00 22.22 C ATOM 1537 OG1 THR A 99 -4.955 -24.941 -18.586 1.00 72.23 O ATOM 1538 CG2 THR A 99 -4.474 -23.415 -20.394 1.00 41.25 C ATOM 0 H THR A 99 -6.882 -26.275 -19.039 1.00 11.52 H new ATOM 0 HA THR A 99 -7.058 -23.590 -19.849 1.00 12.54 H new ATOM 0 HB THR A 99 -4.827 -25.513 -20.570 1.00 22.22 H new ATOM 0 HG1 THR A 99 -4.359 -25.714 -18.499 1.00 72.23 H new ATOM 0 HG21 THR A 99 -3.406 -23.530 -20.207 1.00 41.25 H new ATOM 0 HG22 THR A 99 -4.639 -23.236 -21.457 1.00 41.25 H new ATOM 0 HG23 THR A 99 -4.854 -22.569 -19.821 1.00 41.25 H new ATOM 1546 N SER A 100 -7.604 -23.593 -22.266 1.00 23.31 N ATOM 1547 CA SER A 100 -7.918 -23.548 -23.689 1.00 41.11 C ATOM 1548 C SER A 100 -7.150 -22.425 -24.379 1.00 42.05 C ATOM 1549 O SER A 100 -7.516 -21.252 -24.306 1.00 43.34 O ATOM 1550 CB SER A 100 -9.421 -23.354 -23.895 1.00 74.42 C ATOM 1551 OG SER A 100 -9.932 -24.288 -24.831 1.00 52.44 O ATOM 0 H SER A 100 -7.902 -22.770 -21.742 1.00 23.31 H new ATOM 0 HA SER A 100 -7.617 -24.497 -24.133 1.00 41.11 H new ATOM 0 HB2 SER A 100 -9.939 -23.468 -22.943 1.00 74.42 H new ATOM 0 HB3 SER A 100 -9.616 -22.340 -24.245 1.00 74.42 H new ATOM 0 HG SER A 100 -10.895 -24.145 -24.944 1.00 52.44 H new ATOM 1557 N PRO A 101 -6.058 -22.792 -25.067 1.00 2.33 N ATOM 1558 CA PRO A 101 -5.215 -21.831 -25.784 1.00 65.14 C ATOM 1559 C PRO A 101 -5.911 -21.251 -27.010 1.00 52.24 C ATOM 1560 O PRO A 101 -6.134 -21.949 -28.000 1.00 21.13 O ATOM 1561 CB PRO A 101 -4.003 -22.667 -26.204 1.00 4.15 C ATOM 1562 CG PRO A 101 -4.511 -24.066 -26.266 1.00 25.04 C ATOM 1563 CD PRO A 101 -5.563 -24.172 -25.197 1.00 23.44 C ATOM 0 HA PRO A 101 -4.963 -20.969 -25.166 1.00 65.14 H new ATOM 0 HB2 PRO A 101 -3.615 -22.344 -27.170 1.00 4.15 H new ATOM 0 HB3 PRO A 101 -3.189 -22.573 -25.485 1.00 4.15 H new ATOM 0 HG2 PRO A 101 -4.929 -24.286 -27.248 1.00 25.04 H new ATOM 0 HG3 PRO A 101 -3.707 -24.781 -26.094 1.00 25.04 H new ATOM 0 HD2 PRO A 101 -6.359 -24.859 -25.484 1.00 23.44 H new ATOM 0 HD3 PRO A 101 -5.147 -24.540 -24.259 1.00 23.44 H new ATOM 1571 N LYS A 102 -6.253 -19.969 -26.939 1.00 52.24 N ATOM 1572 CA LYS A 102 -6.923 -19.293 -28.044 1.00 13.10 C ATOM 1573 C LYS A 102 -6.535 -17.819 -28.096 1.00 11.23 C ATOM 1574 O LYS A 102 -5.793 -17.333 -27.242 1.00 74.33 O ATOM 1575 CB LYS A 102 -8.441 -19.427 -27.905 1.00 55.11 C ATOM 1576 CG LYS A 102 -8.995 -20.715 -28.490 1.00 44.34 C ATOM 1577 CD LYS A 102 -10.213 -21.199 -27.722 1.00 5.25 C ATOM 1578 CE LYS A 102 -11.503 -20.688 -28.343 1.00 73.23 C ATOM 1579 NZ LYS A 102 -12.660 -21.571 -28.025 1.00 4.24 N ATOM 0 H LYS A 102 -6.077 -19.377 -26.127 1.00 52.24 H new ATOM 0 HA LYS A 102 -6.606 -19.767 -28.973 1.00 13.10 H new ATOM 0 HB2 LYS A 102 -8.707 -19.374 -26.849 1.00 55.11 H new ATOM 0 HB3 LYS A 102 -8.919 -18.580 -28.397 1.00 55.11 H new ATOM 0 HG2 LYS A 102 -9.262 -20.555 -29.535 1.00 44.34 H new ATOM 0 HG3 LYS A 102 -8.223 -21.485 -28.472 1.00 44.34 H new ATOM 0 HD2 LYS A 102 -10.224 -22.289 -27.704 1.00 5.25 H new ATOM 0 HD3 LYS A 102 -10.149 -20.864 -26.687 1.00 5.25 H new ATOM 0 HE2 LYS A 102 -11.706 -19.680 -27.982 1.00 73.23 H new ATOM 0 HE3 LYS A 102 -11.384 -20.621 -29.424 1.00 73.23 H new ATOM 0 HZ1 LYS A 102 -13.520 -21.188 -28.466 1.00 4.24 H new ATOM 0 HZ2 LYS A 102 -12.478 -22.527 -28.392 1.00 4.24 H new ATOM 0 HZ3 LYS A 102 -12.790 -21.615 -26.994 1.00 4.24 H new ATOM 1593 N GLU A 103 -7.043 -17.113 -29.101 1.00 45.42 N ATOM 1594 CA GLU A 103 -6.748 -15.694 -29.262 1.00 52.52 C ATOM 1595 C GLU A 103 -7.934 -14.959 -29.880 1.00 50.45 C ATOM 1596 O GLU A 103 -8.261 -15.160 -31.050 1.00 52.11 O ATOM 1597 CB GLU A 103 -5.505 -15.504 -30.134 1.00 54.54 C ATOM 1598 CG GLU A 103 -5.502 -16.366 -31.385 1.00 51.35 C ATOM 1599 CD GLU A 103 -4.385 -16.000 -32.343 1.00 24.20 C ATOM 1600 OE1 GLU A 103 -4.262 -14.805 -32.684 1.00 25.33 O ATOM 1601 OE2 GLU A 103 -3.633 -16.910 -32.751 1.00 63.13 O ATOM 0 H GLU A 103 -7.660 -17.500 -29.815 1.00 45.42 H new ATOM 0 HA GLU A 103 -6.557 -15.274 -28.274 1.00 52.52 H new ATOM 0 HB2 GLU A 103 -5.432 -14.456 -30.425 1.00 54.54 H new ATOM 0 HB3 GLU A 103 -4.618 -15.733 -29.543 1.00 54.54 H new ATOM 0 HG2 GLU A 103 -5.402 -17.413 -31.100 1.00 51.35 H new ATOM 0 HG3 GLU A 103 -6.460 -16.264 -31.894 1.00 51.35 H new ATOM 1608 N ARG A 104 -8.574 -14.107 -29.086 1.00 50.32 N ATOM 1609 CA ARG A 104 -9.724 -13.343 -29.554 1.00 14.10 C ATOM 1610 C ARG A 104 -9.889 -12.059 -28.746 1.00 53.13 C ATOM 1611 O ARG A 104 -9.175 -11.832 -27.769 1.00 13.31 O ATOM 1612 CB ARG A 104 -10.997 -14.186 -29.457 1.00 31.22 C ATOM 1613 CG ARG A 104 -11.772 -14.272 -30.761 1.00 51.34 C ATOM 1614 CD ARG A 104 -11.571 -15.617 -31.442 1.00 12.14 C ATOM 1615 NE ARG A 104 -12.757 -16.464 -31.341 1.00 2.32 N ATOM 1616 CZ ARG A 104 -12.916 -17.589 -32.028 1.00 35.31 C ATOM 1617 NH1 ARG A 104 -11.971 -18.001 -32.861 1.00 22.31 N ATOM 1618 NH2 ARG A 104 -14.024 -18.306 -31.882 1.00 41.40 N ATOM 0 H ARG A 104 -8.316 -13.928 -28.116 1.00 50.32 H new ATOM 0 HA ARG A 104 -9.551 -13.076 -30.597 1.00 14.10 H new ATOM 0 HB2 ARG A 104 -10.732 -15.193 -29.135 1.00 31.22 H new ATOM 0 HB3 ARG A 104 -11.644 -13.765 -28.687 1.00 31.22 H new ATOM 0 HG2 ARG A 104 -12.833 -14.117 -30.566 1.00 51.34 H new ATOM 0 HG3 ARG A 104 -11.451 -13.473 -31.429 1.00 51.34 H new ATOM 0 HD2 ARG A 104 -11.327 -15.459 -32.492 1.00 12.14 H new ATOM 0 HD3 ARG A 104 -10.721 -16.128 -30.991 1.00 12.14 H new ATOM 0 HE ARG A 104 -13.503 -16.175 -30.708 1.00 2.32 H new ATOM 0 HH11 ARG A 104 -11.118 -17.453 -32.976 1.00 22.31 H new ATOM 0 HH12 ARG A 104 -12.097 -18.866 -33.387 1.00 22.31 H new ATOM 0 HH21 ARG A 104 -14.754 -17.993 -31.242 1.00 41.40 H new ATOM 0 HH22 ARG A 104 -14.146 -19.170 -32.410 1.00 41.40 H new ATOM 1632 N HIS A 105 -10.835 -11.222 -29.162 1.00 3.24 N ATOM 1633 CA HIS A 105 -11.093 -9.960 -28.477 1.00 34.22 C ATOM 1634 C HIS A 105 -11.451 -10.200 -27.013 1.00 4.20 C ATOM 1635 O HIS A 105 -11.586 -11.343 -26.576 1.00 64.35 O ATOM 1636 CB HIS A 105 -12.224 -9.201 -29.172 1.00 2.30 C ATOM 1637 CG HIS A 105 -12.116 -9.201 -30.666 1.00 24.22 C ATOM 1638 ND1 HIS A 105 -12.325 -10.188 -31.568 1.00 53.43 N flip ATOM 1639 CD2 HIS A 105 -11.751 -8.089 -31.394 1.00 63.12 C flip ATOM 1640 CE1 HIS A 105 -12.087 -9.659 -32.813 1.00 44.44 C flip ATOM 1641 NE2 HIS A 105 -11.743 -8.391 -32.680 1.00 4.02 N flip ATOM 0 H HIS A 105 -11.435 -11.395 -29.969 1.00 3.24 H new ATOM 0 HA HIS A 105 -10.184 -9.360 -28.517 1.00 34.22 H new ATOM 0 HB2 HIS A 105 -13.178 -9.644 -28.885 1.00 2.30 H new ATOM 0 HB3 HIS A 105 -12.231 -8.171 -28.816 1.00 2.30 H new ATOM 0 HD2 HIS A 105 -11.509 -7.122 -30.978 1.00 63.12 H new ATOM 0 HE1 HIS A 105 -12.168 -10.193 -33.748 1.00 44.44 H new ATOM 0 HE2 HIS A 105 -11.511 -7.753 -33.441 1.00 4.02 H new ATOM 1649 N ILE A 106 -11.601 -9.115 -26.261 1.00 32.14 N ATOM 1650 CA ILE A 106 -11.943 -9.208 -24.847 1.00 23.24 C ATOM 1651 C ILE A 106 -12.549 -7.904 -24.340 1.00 42.34 C ATOM 1652 O ILE A 106 -12.301 -6.835 -24.899 1.00 2.43 O ATOM 1653 CB ILE A 106 -10.710 -9.554 -23.991 1.00 64.22 C ATOM 1654 CG1 ILE A 106 -9.425 -9.197 -24.742 1.00 22.24 C ATOM 1655 CG2 ILE A 106 -10.720 -11.029 -23.619 1.00 62.45 C ATOM 1656 CD1 ILE A 106 -8.203 -9.137 -23.852 1.00 44.34 C ATOM 0 H ILE A 106 -11.491 -8.162 -26.607 1.00 32.14 H new ATOM 0 HA ILE A 106 -12.677 -10.008 -24.753 1.00 23.24 H new ATOM 0 HB ILE A 106 -10.747 -8.968 -23.073 1.00 64.22 H new ATOM 0 HG12 ILE A 106 -9.256 -9.933 -25.528 1.00 22.24 H new ATOM 0 HG13 ILE A 106 -9.556 -8.232 -25.232 1.00 22.24 H new ATOM 0 HG21 ILE A 106 -9.842 -11.258 -23.014 1.00 62.45 H new ATOM 0 HG22 ILE A 106 -11.622 -11.255 -23.050 1.00 62.45 H new ATOM 0 HG23 ILE A 106 -10.703 -11.633 -24.526 1.00 62.45 H new ATOM 0 HD11 ILE A 106 -7.329 -8.879 -24.450 1.00 44.34 H new ATOM 0 HD12 ILE A 106 -8.351 -8.381 -23.081 1.00 44.34 H new ATOM 0 HD13 ILE A 106 -8.047 -10.108 -23.382 1.00 44.34 H new ATOM 1668 N ILE A 107 -13.343 -7.999 -23.279 1.00 63.32 N ATOM 1669 CA ILE A 107 -13.982 -6.826 -22.696 1.00 22.32 C ATOM 1670 C ILE A 107 -13.593 -6.660 -21.231 1.00 35.34 C ATOM 1671 O ILE A 107 -13.779 -7.569 -20.421 1.00 54.10 O ATOM 1672 CB ILE A 107 -15.516 -6.910 -22.802 1.00 41.44 C ATOM 1673 CG1 ILE A 107 -15.921 -7.660 -24.073 1.00 23.11 C ATOM 1674 CG2 ILE A 107 -16.124 -5.515 -22.788 1.00 33.22 C ATOM 1675 CD1 ILE A 107 -16.615 -8.976 -23.802 1.00 21.41 C ATOM 0 H ILE A 107 -13.559 -8.876 -22.806 1.00 63.32 H new ATOM 0 HA ILE A 107 -13.634 -5.962 -23.262 1.00 22.32 H new ATOM 0 HB ILE A 107 -15.896 -7.460 -21.941 1.00 41.44 H new ATOM 0 HG12 ILE A 107 -16.581 -7.026 -24.665 1.00 23.11 H new ATOM 0 HG13 ILE A 107 -15.032 -7.845 -24.675 1.00 23.11 H new ATOM 0 HG21 ILE A 107 -17.209 -5.590 -22.864 1.00 33.22 H new ATOM 0 HG22 ILE A 107 -15.859 -5.012 -21.858 1.00 33.22 H new ATOM 0 HG23 ILE A 107 -15.740 -4.942 -23.632 1.00 33.22 H new ATOM 0 HD11 ILE A 107 -16.873 -9.453 -24.748 1.00 21.41 H new ATOM 0 HD12 ILE A 107 -15.950 -9.629 -23.237 1.00 21.41 H new ATOM 0 HD13 ILE A 107 -17.523 -8.797 -23.226 1.00 21.41 H new ATOM 1687 N VAL A 108 -13.054 -5.492 -20.896 1.00 32.45 N ATOM 1688 CA VAL A 108 -12.642 -5.205 -19.527 1.00 31.22 C ATOM 1689 C VAL A 108 -13.164 -3.848 -19.069 1.00 33.11 C ATOM 1690 O VAL A 108 -13.451 -2.974 -19.886 1.00 73.13 O ATOM 1691 CB VAL A 108 -11.108 -5.227 -19.386 1.00 54.12 C ATOM 1692 CG1 VAL A 108 -10.623 -6.628 -19.048 1.00 63.24 C ATOM 1693 CG2 VAL A 108 -10.450 -4.718 -20.660 1.00 1.04 C ATOM 0 H VAL A 108 -12.892 -4.729 -21.554 1.00 32.45 H new ATOM 0 HA VAL A 108 -13.068 -5.986 -18.898 1.00 31.22 H new ATOM 0 HB VAL A 108 -10.825 -4.564 -18.568 1.00 54.12 H new ATOM 0 HG11 VAL A 108 -9.537 -6.624 -18.952 1.00 63.24 H new ATOM 0 HG12 VAL A 108 -11.069 -6.950 -18.107 1.00 63.24 H new ATOM 0 HG13 VAL A 108 -10.915 -7.315 -19.842 1.00 63.24 H new ATOM 0 HG21 VAL A 108 -9.366 -4.740 -20.544 1.00 1.04 H new ATOM 0 HG22 VAL A 108 -10.738 -5.354 -21.497 1.00 1.04 H new ATOM 0 HG23 VAL A 108 -10.773 -3.695 -20.853 1.00 1.04 H new ATOM 1703 N ALA A 109 -13.285 -3.679 -17.756 1.00 44.22 N ATOM 1704 CA ALA A 109 -13.770 -2.427 -17.189 1.00 1.12 C ATOM 1705 C ALA A 109 -12.630 -1.629 -16.565 1.00 12.31 C ATOM 1706 O ALA A 109 -12.180 -1.930 -15.459 1.00 60.12 O ATOM 1707 CB ALA A 109 -14.853 -2.701 -16.155 1.00 43.44 C ATOM 0 H ALA A 109 -13.054 -4.393 -17.066 1.00 44.22 H new ATOM 0 HA ALA A 109 -14.196 -1.831 -17.997 1.00 1.12 H new ATOM 0 HB1 ALA A 109 -15.206 -1.757 -15.739 1.00 43.44 H new ATOM 0 HB2 ALA A 109 -15.684 -3.223 -16.629 1.00 43.44 H new ATOM 0 HB3 ALA A 109 -14.445 -3.319 -15.356 1.00 43.44 H new ATOM 1713 N CYS A 110 -12.167 -0.610 -17.281 1.00 1.53 N ATOM 1714 CA CYS A 110 -11.078 0.232 -16.798 1.00 74.05 C ATOM 1715 C CYS A 110 -11.620 1.449 -16.054 1.00 34.55 C ATOM 1716 O CYS A 110 -12.708 1.939 -16.355 1.00 43.34 O ATOM 1717 CB CYS A 110 -10.200 0.685 -17.966 1.00 52.05 C ATOM 1718 SG CYS A 110 -10.959 0.443 -19.605 1.00 22.41 S ATOM 0 H CYS A 110 -12.529 -0.347 -18.198 1.00 1.53 H new ATOM 0 HA CYS A 110 -10.476 -0.357 -16.106 1.00 74.05 H new ATOM 0 HB2 CYS A 110 -9.963 1.741 -17.840 1.00 52.05 H new ATOM 0 HB3 CYS A 110 -9.257 0.140 -17.930 1.00 52.05 H new ATOM 1723 N GLU A 111 -10.854 1.929 -15.080 1.00 2.14 N ATOM 1724 CA GLU A 111 -11.258 3.088 -14.292 1.00 23.44 C ATOM 1725 C GLU A 111 -10.066 3.679 -13.544 1.00 52.41 C ATOM 1726 O GLU A 111 -8.953 3.162 -13.619 1.00 62.44 O ATOM 1727 CB GLU A 111 -12.355 2.699 -13.298 1.00 51.34 C ATOM 1728 CG GLU A 111 -13.396 3.786 -13.085 1.00 65.14 C ATOM 1729 CD GLU A 111 -13.317 4.406 -11.704 1.00 33.33 C ATOM 1730 OE1 GLU A 111 -12.239 4.325 -11.078 1.00 74.31 O ATOM 1731 OE2 GLU A 111 -14.333 4.971 -11.248 1.00 51.00 O ATOM 0 H GLU A 111 -9.951 1.534 -14.817 1.00 2.14 H new ATOM 0 HA GLU A 111 -11.647 3.843 -14.976 1.00 23.44 H new ATOM 0 HB2 GLU A 111 -12.852 1.796 -13.653 1.00 51.34 H new ATOM 0 HB3 GLU A 111 -11.896 2.454 -12.340 1.00 51.34 H new ATOM 0 HG2 GLU A 111 -13.263 4.564 -13.837 1.00 65.14 H new ATOM 0 HG3 GLU A 111 -14.391 3.366 -13.234 1.00 65.14 H new ATOM 1738 N GLY A 112 -10.310 4.769 -12.822 1.00 43.55 N ATOM 1739 CA GLY A 112 -9.248 5.415 -12.072 1.00 72.14 C ATOM 1740 C GLY A 112 -8.309 6.207 -12.961 1.00 32.33 C ATOM 1741 O GLY A 112 -8.654 6.548 -14.092 1.00 72.30 O ATOM 0 H GLY A 112 -11.223 5.216 -12.743 1.00 43.55 H new ATOM 0 HA2 GLY A 112 -9.686 6.080 -11.328 1.00 72.14 H new ATOM 0 HA3 GLY A 112 -8.679 4.660 -11.530 1.00 72.14 H new ATOM 1745 N SER A 113 -7.119 6.501 -12.447 1.00 52.53 N ATOM 1746 CA SER A 113 -6.129 7.263 -13.200 1.00 14.21 C ATOM 1747 C SER A 113 -4.726 6.712 -12.966 1.00 34.43 C ATOM 1748 O SER A 113 -4.261 6.590 -11.833 1.00 24.05 O ATOM 1749 CB SER A 113 -6.182 8.740 -12.803 1.00 61.13 C ATOM 1750 OG SER A 113 -5.942 9.577 -13.921 1.00 52.12 O ATOM 0 H SER A 113 -6.817 6.223 -11.513 1.00 52.53 H new ATOM 0 HA SER A 113 -6.365 7.170 -14.260 1.00 14.21 H new ATOM 0 HB2 SER A 113 -7.158 8.970 -12.375 1.00 61.13 H new ATOM 0 HB3 SER A 113 -5.440 8.939 -12.030 1.00 61.13 H new ATOM 0 HG SER A 113 -5.983 10.515 -13.642 1.00 52.12 H new ATOM 1756 N PRO A 114 -4.035 6.369 -14.063 1.00 54.21 N ATOM 1757 CA PRO A 114 -4.580 6.509 -15.417 1.00 23.00 C ATOM 1758 C PRO A 114 -5.703 5.516 -15.695 1.00 52.34 C ATOM 1759 O PRO A 114 -6.085 4.735 -14.823 1.00 51.54 O ATOM 1760 CB PRO A 114 -3.375 6.219 -16.315 1.00 62.34 C ATOM 1761 CG PRO A 114 -2.482 5.361 -15.487 1.00 33.23 C ATOM 1762 CD PRO A 114 -2.670 5.819 -14.067 1.00 24.43 C ATOM 0 HA PRO A 114 -5.023 7.492 -15.579 1.00 23.00 H new ATOM 0 HB2 PRO A 114 -3.677 5.709 -17.230 1.00 62.34 H new ATOM 0 HB3 PRO A 114 -2.874 7.140 -16.614 1.00 62.34 H new ATOM 0 HG2 PRO A 114 -2.742 4.308 -15.595 1.00 33.23 H new ATOM 0 HG3 PRO A 114 -1.442 5.466 -15.797 1.00 33.23 H new ATOM 0 HD2 PRO A 114 -2.567 4.994 -13.362 1.00 24.43 H new ATOM 0 HD3 PRO A 114 -1.933 6.571 -13.787 1.00 24.43 H new ATOM 1770 N TYR A 115 -6.228 5.551 -16.915 1.00 15.50 N ATOM 1771 CA TYR A 115 -7.310 4.656 -17.307 1.00 71.24 C ATOM 1772 C TYR A 115 -6.779 3.257 -17.604 1.00 25.23 C ATOM 1773 O TYR A 115 -6.214 3.007 -18.669 1.00 2.12 O ATOM 1774 CB TYR A 115 -8.037 5.208 -18.535 1.00 35.34 C ATOM 1775 CG TYR A 115 -9.536 5.301 -18.359 1.00 73.20 C ATOM 1776 CD1 TYR A 115 -10.090 5.685 -17.144 1.00 55.10 C ATOM 1777 CD2 TYR A 115 -10.398 5.004 -19.407 1.00 74.23 C ATOM 1778 CE1 TYR A 115 -11.459 5.771 -16.979 1.00 34.14 C ATOM 1779 CE2 TYR A 115 -11.768 5.088 -19.251 1.00 53.44 C ATOM 1780 CZ TYR A 115 -12.294 5.472 -18.035 1.00 40.13 C ATOM 1781 OH TYR A 115 -13.658 5.556 -17.876 1.00 12.25 O ATOM 0 H TYR A 115 -5.922 6.189 -17.649 1.00 15.50 H new ATOM 0 HA TYR A 115 -8.012 4.590 -16.476 1.00 71.24 H new ATOM 0 HB2 TYR A 115 -7.644 6.198 -18.765 1.00 35.34 H new ATOM 0 HB3 TYR A 115 -7.819 4.572 -19.393 1.00 35.34 H new ATOM 0 HD1 TYR A 115 -9.439 5.920 -16.315 1.00 55.10 H new ATOM 0 HD2 TYR A 115 -9.990 4.702 -20.360 1.00 74.23 H new ATOM 0 HE1 TYR A 115 -11.873 6.071 -16.028 1.00 34.14 H new ATOM 0 HE2 TYR A 115 -12.424 4.854 -20.077 1.00 53.44 H new ATOM 0 HH TYR A 115 -14.103 5.193 -18.670 1.00 12.25 H new ATOM 1791 N VAL A 116 -6.964 2.347 -16.653 1.00 32.41 N ATOM 1792 CA VAL A 116 -6.506 0.972 -16.811 1.00 22.42 C ATOM 1793 C VAL A 116 -7.583 -0.019 -16.384 1.00 21.22 C ATOM 1794 O VAL A 116 -8.444 0.280 -15.557 1.00 12.24 O ATOM 1795 CB VAL A 116 -5.228 0.708 -15.992 1.00 50.41 C ATOM 1796 CG1 VAL A 116 -4.186 1.782 -16.268 1.00 71.44 C ATOM 1797 CG2 VAL A 116 -5.552 0.638 -14.507 1.00 71.05 C ATOM 0 H VAL A 116 -7.428 2.537 -15.765 1.00 32.41 H new ATOM 0 HA VAL A 116 -6.286 0.832 -17.869 1.00 22.42 H new ATOM 0 HB VAL A 116 -4.814 -0.253 -16.296 1.00 50.41 H new ATOM 0 HG11 VAL A 116 -3.290 1.579 -15.681 1.00 71.44 H new ATOM 0 HG12 VAL A 116 -3.933 1.780 -17.328 1.00 71.44 H new ATOM 0 HG13 VAL A 116 -4.587 2.757 -15.993 1.00 71.44 H new ATOM 0 HG21 VAL A 116 -4.638 0.451 -13.944 1.00 71.05 H new ATOM 0 HG22 VAL A 116 -5.990 1.583 -14.185 1.00 71.05 H new ATOM 0 HG23 VAL A 116 -6.261 -0.170 -14.327 1.00 71.05 H new ATOM 1807 N PRO A 117 -7.535 -1.230 -16.960 1.00 54.51 N ATOM 1808 CA PRO A 117 -8.500 -2.290 -16.654 1.00 25.52 C ATOM 1809 C PRO A 117 -8.322 -2.846 -15.245 1.00 21.11 C ATOM 1810 O PRO A 117 -7.290 -3.436 -14.925 1.00 3.22 O ATOM 1811 CB PRO A 117 -8.186 -3.366 -17.696 1.00 60.44 C ATOM 1812 CG PRO A 117 -6.759 -3.139 -18.058 1.00 23.21 C ATOM 1813 CD PRO A 117 -6.537 -1.656 -17.955 1.00 5.44 C ATOM 0 HA PRO A 117 -9.528 -1.929 -16.690 1.00 25.52 H new ATOM 0 HB2 PRO A 117 -8.337 -4.366 -17.290 1.00 60.44 H new ATOM 0 HB3 PRO A 117 -8.835 -3.274 -18.567 1.00 60.44 H new ATOM 0 HG2 PRO A 117 -6.095 -3.681 -17.385 1.00 23.21 H new ATOM 0 HG3 PRO A 117 -6.551 -3.496 -19.067 1.00 23.21 H new ATOM 0 HD2 PRO A 117 -5.522 -1.423 -17.632 1.00 5.44 H new ATOM 0 HD3 PRO A 117 -6.688 -1.160 -18.914 1.00 5.44 H new ATOM 1821 N VAL A 118 -9.335 -2.655 -14.406 1.00 51.40 N ATOM 1822 CA VAL A 118 -9.291 -3.138 -13.031 1.00 73.23 C ATOM 1823 C VAL A 118 -10.296 -4.264 -12.812 1.00 42.14 C ATOM 1824 O VAL A 118 -10.623 -4.607 -11.676 1.00 2.43 O ATOM 1825 CB VAL A 118 -9.580 -2.005 -12.028 1.00 62.33 C ATOM 1826 CG1 VAL A 118 -8.582 -0.870 -12.203 1.00 74.31 C ATOM 1827 CG2 VAL A 118 -11.006 -1.502 -12.190 1.00 33.14 C ATOM 0 H VAL A 118 -10.197 -2.169 -14.655 1.00 51.40 H new ATOM 0 HA VAL A 118 -8.283 -3.516 -12.860 1.00 73.23 H new ATOM 0 HB VAL A 118 -9.471 -2.400 -11.018 1.00 62.33 H new ATOM 0 HG11 VAL A 118 -8.802 -0.079 -11.486 1.00 74.31 H new ATOM 0 HG12 VAL A 118 -7.572 -1.244 -12.033 1.00 74.31 H new ATOM 0 HG13 VAL A 118 -8.656 -0.473 -13.216 1.00 74.31 H new ATOM 0 HG21 VAL A 118 -11.193 -0.702 -11.474 1.00 33.14 H new ATOM 0 HG22 VAL A 118 -11.145 -1.123 -13.202 1.00 33.14 H new ATOM 0 HG23 VAL A 118 -11.703 -2.320 -12.010 1.00 33.14 H new ATOM 1837 N HIS A 119 -10.782 -4.837 -13.909 1.00 14.13 N ATOM 1838 CA HIS A 119 -11.750 -5.926 -13.837 1.00 61.10 C ATOM 1839 C HIS A 119 -11.923 -6.590 -15.200 1.00 25.02 C ATOM 1840 O HIS A 119 -11.736 -5.956 -16.239 1.00 24.24 O ATOM 1841 CB HIS A 119 -13.098 -5.407 -13.335 1.00 64.11 C ATOM 1842 CG HIS A 119 -14.273 -6.040 -14.013 1.00 74.31 C ATOM 1843 ND1 HIS A 119 -14.593 -6.136 -15.325 1.00 1.14 N flip ATOM 1844 CD2 HIS A 119 -15.289 -6.671 -13.326 1.00 31.31 C flip ATOM 1845 CE1 HIS A 119 -15.783 -6.817 -15.405 1.00 54.23 C flip ATOM 1846 NE2 HIS A 119 -16.181 -7.129 -14.185 1.00 61.14 N flip ATOM 0 H HIS A 119 -10.522 -4.566 -14.857 1.00 14.13 H new ATOM 0 HA HIS A 119 -11.372 -6.669 -13.135 1.00 61.10 H new ATOM 0 HB2 HIS A 119 -13.169 -5.584 -12.262 1.00 64.11 H new ATOM 0 HB3 HIS A 119 -13.141 -4.328 -13.484 1.00 64.11 H new ATOM 0 HD2 HIS A 119 -15.346 -6.774 -12.252 1.00 31.31 H new ATOM 0 HE1 HIS A 119 -16.308 -7.058 -16.317 1.00 54.23 H new ATOM 0 HE2 HIS A 119 -17.033 -7.637 -13.947 1.00 61.14 H new ATOM 1854 N PHE A 120 -12.280 -7.870 -15.188 1.00 65.01 N ATOM 1855 CA PHE A 120 -12.476 -8.620 -16.423 1.00 24.40 C ATOM 1856 C PHE A 120 -13.911 -9.128 -16.529 1.00 42.52 C ATOM 1857 O PHE A 120 -14.467 -9.655 -15.566 1.00 21.50 O ATOM 1858 CB PHE A 120 -11.501 -9.798 -16.490 1.00 5.33 C ATOM 1859 CG PHE A 120 -10.987 -10.073 -17.874 1.00 75.41 C ATOM 1860 CD1 PHE A 120 -11.799 -10.678 -18.820 1.00 73.23 C ATOM 1861 CD2 PHE A 120 -9.694 -9.727 -18.230 1.00 22.44 C ATOM 1862 CE1 PHE A 120 -11.329 -10.934 -20.095 1.00 13.34 C ATOM 1863 CE2 PHE A 120 -9.218 -9.980 -19.503 1.00 34.13 C ATOM 1864 CZ PHE A 120 -10.038 -10.583 -20.437 1.00 22.24 C ATOM 0 H PHE A 120 -12.439 -8.409 -14.337 1.00 65.01 H new ATOM 0 HA PHE A 120 -12.283 -7.949 -17.260 1.00 24.40 H new ATOM 0 HB2 PHE A 120 -10.656 -9.598 -15.831 1.00 5.33 H new ATOM 0 HB3 PHE A 120 -11.997 -10.692 -16.111 1.00 5.33 H new ATOM 0 HD1 PHE A 120 -12.810 -10.953 -18.559 1.00 73.23 H new ATOM 0 HD2 PHE A 120 -9.050 -9.254 -17.504 1.00 22.44 H new ATOM 0 HE1 PHE A 120 -11.971 -11.408 -20.823 1.00 13.34 H new ATOM 0 HE2 PHE A 120 -8.207 -9.707 -19.767 1.00 34.13 H new ATOM 0 HZ PHE A 120 -9.670 -10.780 -21.433 1.00 22.24 H new ATOM 1874 N ASP A 121 -14.504 -8.963 -17.706 1.00 54.31 N ATOM 1875 CA ASP A 121 -15.875 -9.404 -17.940 1.00 3.42 C ATOM 1876 C ASP A 121 -15.898 -10.763 -18.631 1.00 24.42 C ATOM 1877 O ASP A 121 -16.202 -11.781 -18.010 1.00 21.23 O ATOM 1878 CB ASP A 121 -16.627 -8.375 -18.786 1.00 2.03 C ATOM 1879 CG ASP A 121 -17.916 -7.919 -18.132 1.00 34.23 C ATOM 1880 OD1 ASP A 121 -18.870 -8.724 -18.076 1.00 13.43 O ATOM 1881 OD2 ASP A 121 -17.971 -6.758 -17.675 1.00 34.51 O ATOM 0 H ASP A 121 -14.058 -8.527 -18.513 1.00 54.31 H new ATOM 0 HA ASP A 121 -16.370 -9.500 -16.973 1.00 3.42 H new ATOM 0 HB2 ASP A 121 -15.985 -7.511 -18.958 1.00 2.03 H new ATOM 0 HB3 ASP A 121 -16.851 -8.805 -19.762 1.00 2.03 H new ATOM 1886 N ALA A 122 -15.575 -10.772 -19.920 1.00 41.20 N ATOM 1887 CA ALA A 122 -15.558 -12.006 -20.695 1.00 64.11 C ATOM 1888 C ALA A 122 -14.954 -11.778 -22.077 1.00 33.20 C ATOM 1889 O ALA A 122 -15.024 -10.676 -22.621 1.00 23.20 O ATOM 1890 CB ALA A 122 -16.965 -12.572 -20.818 1.00 43.32 C ATOM 0 H ALA A 122 -15.321 -9.938 -20.450 1.00 41.20 H new ATOM 0 HA ALA A 122 -14.933 -12.728 -20.169 1.00 64.11 H new ATOM 0 HB1 ALA A 122 -16.937 -13.494 -21.399 1.00 43.32 H new ATOM 0 HB2 ALA A 122 -17.361 -12.782 -19.824 1.00 43.32 H new ATOM 0 HB3 ALA A 122 -17.606 -11.847 -21.319 1.00 43.32 H new ATOM 1896 N SER A 123 -14.362 -12.827 -22.639 1.00 42.22 N ATOM 1897 CA SER A 123 -13.742 -12.739 -23.956 1.00 70.43 C ATOM 1898 C SER A 123 -14.795 -12.810 -25.058 1.00 11.10 C ATOM 1899 O SER A 123 -15.870 -13.379 -24.870 1.00 32.24 O ATOM 1900 CB SER A 123 -12.721 -13.864 -24.138 1.00 41.04 C ATOM 1901 OG SER A 123 -13.276 -15.119 -23.785 1.00 1.15 O ATOM 0 H SER A 123 -14.299 -13.747 -22.203 1.00 42.22 H new ATOM 0 HA SER A 123 -13.231 -11.779 -24.027 1.00 70.43 H new ATOM 0 HB2 SER A 123 -12.385 -13.890 -25.175 1.00 41.04 H new ATOM 0 HB3 SER A 123 -11.843 -13.665 -23.523 1.00 41.04 H new ATOM 0 HG SER A 123 -12.604 -15.821 -23.912 1.00 1.15 H new ATOM 1907 N VAL A 124 -14.478 -12.227 -26.210 1.00 4.34 N ATOM 1908 CA VAL A 124 -15.395 -12.223 -27.343 1.00 65.41 C ATOM 1909 C VAL A 124 -15.021 -13.300 -28.355 1.00 62.35 C ATOM 1910 O VAL A 124 -13.924 -13.855 -28.309 1.00 25.12 O ATOM 1911 CB VAL A 124 -15.410 -10.854 -28.049 1.00 21.34 C ATOM 1912 CG1 VAL A 124 -16.820 -10.500 -28.497 1.00 65.31 C ATOM 1913 CG2 VAL A 124 -14.847 -9.778 -27.134 1.00 5.55 C ATOM 0 H VAL A 124 -13.592 -11.751 -26.383 1.00 4.34 H new ATOM 0 HA VAL A 124 -16.389 -12.429 -26.947 1.00 65.41 H new ATOM 0 HB VAL A 124 -14.777 -10.914 -28.935 1.00 21.34 H new ATOM 0 HG11 VAL A 124 -16.811 -9.530 -28.994 1.00 65.31 H new ATOM 0 HG12 VAL A 124 -17.183 -11.259 -29.190 1.00 65.31 H new ATOM 0 HG13 VAL A 124 -17.478 -10.457 -27.629 1.00 65.31 H new ATOM 0 HG21 VAL A 124 -14.865 -8.817 -27.648 1.00 5.55 H new ATOM 0 HG22 VAL A 124 -15.452 -9.717 -26.229 1.00 5.55 H new ATOM 0 HG23 VAL A 124 -13.820 -10.028 -26.867 1.00 5.55 H new ATOM 1923 N GLU A 125 -15.941 -13.590 -29.270 1.00 31.10 N ATOM 1924 CA GLU A 125 -15.707 -14.602 -30.294 1.00 54.40 C ATOM 1925 C GLU A 125 -15.264 -13.957 -31.604 1.00 41.02 C ATOM 1926 O GLU A 125 -14.327 -14.424 -32.252 1.00 4.52 O ATOM 1927 CB GLU A 125 -16.974 -15.429 -30.523 1.00 63.41 C ATOM 1928 CG GLU A 125 -17.061 -16.665 -29.643 1.00 65.12 C ATOM 1929 CD GLU A 125 -17.287 -16.326 -28.183 1.00 20.44 C ATOM 1930 OE1 GLU A 125 -16.495 -15.538 -27.626 1.00 40.31 O ATOM 1931 OE2 GLU A 125 -18.257 -16.851 -27.596 1.00 53.43 O ATOM 0 H GLU A 125 -16.854 -13.139 -29.323 1.00 31.10 H new ATOM 0 HA GLU A 125 -14.911 -15.259 -29.945 1.00 54.40 H new ATOM 0 HB2 GLU A 125 -17.846 -14.801 -30.340 1.00 63.41 H new ATOM 0 HB3 GLU A 125 -17.015 -15.734 -31.569 1.00 63.41 H new ATOM 0 HG2 GLU A 125 -17.874 -17.300 -29.995 1.00 65.12 H new ATOM 0 HG3 GLU A 125 -16.141 -17.241 -29.740 1.00 65.12 H new ATOM 1938 N ASP A 126 -15.945 -12.883 -31.988 1.00 43.21 N ATOM 1939 CA ASP A 126 -15.622 -12.173 -33.220 1.00 63.14 C ATOM 1940 C ASP A 126 -16.095 -10.724 -33.153 1.00 62.31 C ATOM 1941 O ASP A 126 -16.698 -10.303 -32.166 1.00 24.10 O ATOM 1942 CB ASP A 126 -16.259 -12.875 -34.421 1.00 23.44 C ATOM 1943 CG ASP A 126 -15.638 -12.450 -35.737 1.00 21.13 C ATOM 1944 OD1 ASP A 126 -14.462 -12.796 -35.977 1.00 14.32 O ATOM 1945 OD2 ASP A 126 -16.327 -11.771 -36.526 1.00 54.03 O ATOM 0 H ASP A 126 -16.724 -12.485 -31.464 1.00 43.21 H new ATOM 0 HA ASP A 126 -14.538 -12.178 -33.339 1.00 63.14 H new ATOM 0 HB2 ASP A 126 -16.154 -13.954 -34.305 1.00 23.44 H new ATOM 0 HB3 ASP A 126 -17.327 -12.659 -34.440 1.00 23.44 H new ATOM 1950 N SER A 127 -15.816 -9.966 -34.209 1.00 34.50 N ATOM 1951 CA SER A 127 -16.209 -8.563 -34.268 1.00 31.43 C ATOM 1952 C SER A 127 -17.689 -8.427 -34.614 1.00 22.51 C ATOM 1953 O SER A 127 -18.396 -7.598 -34.044 1.00 43.45 O ATOM 1954 CB SER A 127 -15.362 -7.817 -35.300 1.00 64.51 C ATOM 1955 OG SER A 127 -15.503 -6.415 -35.158 1.00 51.44 O ATOM 0 H SER A 127 -15.319 -10.300 -35.035 1.00 34.50 H new ATOM 0 HA SER A 127 -16.042 -8.123 -33.285 1.00 31.43 H new ATOM 0 HB2 SER A 127 -14.314 -8.094 -35.184 1.00 64.51 H new ATOM 0 HB3 SER A 127 -15.661 -8.116 -36.305 1.00 64.51 H new ATOM 0 HG SER A 127 -14.950 -5.961 -35.828 1.00 51.44 H new TER 1961 SER A 127