USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 915 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 104 SER OG : rot 76:sc= 1.67 USER MOD Set 1.2: A 113 TYR OH : rot 2:sc= 0.833 USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.426 K(o=0.34,f=-9.2!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.582 K(o=0.34,f=-4.6) USER MOD Set 2.3: A 145 SER OG : rot 77:sc= 1.34 USER MOD Set 3.1: A 66 GLN : amide:sc= -6.33! C(o=-6!,f=-5.7!) USER MOD Set 3.2: A 70 SER OG : rot -49:sc= 0.35 USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.597 K(o=0.6,f=-0.63) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 1.78 (180deg=1.78) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 171:sc= 1.46 USER MOD Single : A 64 GLN : amide:sc= 0.482 X(o=0.48,f=0) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.00923 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 75 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.55) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -131:sc= 1.28 USER MOD Single : A 89 ASN : amide:sc= -0.707 K(o=-0.71,f=-5.9!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : A 108 THR OG1 : rot -19:sc= 1.09 USER MOD Single : A 111 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.91) USER MOD Single : A 115 ASN : amide:sc= -0.165 K(o=-0.16,f=-0.77) USER MOD Single : A 122 CYS SG : rot -148:sc= -0.154 USER MOD Single : A 127 GLN : amide:sc= 0.88 K(o=0.88,f=-0.034) USER MOD Single : A 128 MET CE :methyl 178:sc= -1.55 (180deg=-1.59) USER MOD Single : A 130 GLN : amide:sc= 0.0219 X(o=0.022,f=0) USER MOD Single : A 131 ASN : amide:sc=-0.00698 X(o=-0.007,f=0) USER MOD Single : A 139 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.12) USER MOD Single : A 140 LYS NZ :NH3+ 167:sc= 1.18 (180deg=1.03) USER MOD Single : A 144 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.851 -10.379 -13.781 1.00 19.46 N ATOM 2 CA GLY A 1 -25.923 -10.358 -12.313 1.00 18.90 C ATOM 3 C GLY A 1 -24.678 -10.992 -11.727 1.00 17.86 C ATOM 4 O GLY A 1 -24.289 -12.078 -12.152 1.00 18.22 O ATOM 0 H1 GLY A 1 -26.783 -10.625 -14.171 1.00 19.46 H new ATOM 0 H2 GLY A 1 -25.567 -9.441 -14.128 1.00 19.46 H new ATOM 0 H3 GLY A 1 -25.151 -11.086 -14.084 1.00 19.46 H new ATOM 0 HA2 GLY A 1 -26.020 -9.331 -11.960 1.00 18.90 H new ATOM 0 HA3 GLY A 1 -26.809 -10.896 -11.976 1.00 18.90 H new ATOM 10 N SER A 2 -24.038 -10.320 -10.766 1.00 16.81 N ATOM 11 CA SER A 2 -22.800 -10.749 -10.081 1.00 15.95 C ATOM 12 C SER A 2 -21.644 -11.170 -11.016 1.00 15.18 C ATOM 13 O SER A 2 -20.828 -12.029 -10.662 1.00 15.41 O ATOM 14 CB SER A 2 -23.094 -11.806 -9.005 1.00 17.07 C ATOM 15 OG SER A 2 -24.186 -11.415 -8.182 1.00 17.64 O ATOM 0 H SER A 2 -24.378 -9.421 -10.424 1.00 16.81 H new ATOM 0 HA SER A 2 -22.425 -9.852 -9.588 1.00 15.95 H new ATOM 0 HB2 SER A 2 -23.318 -12.760 -9.481 1.00 17.07 H new ATOM 0 HB3 SER A 2 -22.208 -11.958 -8.389 1.00 17.07 H new ATOM 0 HG SER A 2 -24.352 -12.107 -7.508 1.00 17.64 H new ATOM 21 N PHE A 3 -21.563 -10.588 -12.219 1.00 14.53 N ATOM 22 CA PHE A 3 -20.533 -10.901 -13.218 1.00 13.97 C ATOM 23 C PHE A 3 -19.123 -10.469 -12.780 1.00 12.32 C ATOM 24 O PHE A 3 -18.959 -9.568 -11.951 1.00 11.64 O ATOM 25 CB PHE A 3 -20.886 -10.249 -14.564 1.00 14.45 C ATOM 26 CG PHE A 3 -22.177 -10.690 -15.236 1.00 16.22 C ATOM 27 CD1 PHE A 3 -22.642 -12.020 -15.152 1.00 17.68 C ATOM 28 CD2 PHE A 3 -22.881 -9.763 -16.030 1.00 16.69 C ATOM 29 CE1 PHE A 3 -23.795 -12.412 -15.854 1.00 19.49 C ATOM 30 CE2 PHE A 3 -24.029 -10.160 -16.737 1.00 18.51 C ATOM 31 CZ PHE A 3 -24.480 -11.485 -16.656 1.00 19.87 C ATOM 0 H PHE A 3 -22.222 -9.875 -12.531 1.00 14.53 H new ATOM 0 HA PHE A 3 -20.516 -11.986 -13.323 1.00 13.97 H new ATOM 0 HB2 PHE A 3 -20.936 -9.171 -14.414 1.00 14.45 H new ATOM 0 HB3 PHE A 3 -20.065 -10.437 -15.255 1.00 14.45 H new ATOM 0 HD1 PHE A 3 -22.110 -12.739 -14.546 1.00 17.68 H new ATOM 0 HD2 PHE A 3 -22.536 -8.742 -16.096 1.00 16.69 H new ATOM 0 HE1 PHE A 3 -24.154 -13.427 -15.776 1.00 19.49 H new ATOM 0 HE2 PHE A 3 -24.564 -9.444 -17.343 1.00 18.51 H new ATOM 0 HZ PHE A 3 -25.354 -11.793 -17.210 1.00 19.87 H new ATOM 41 N THR A 4 -18.102 -11.096 -13.367 1.00 12.00 N ATOM 42 CA THR A 4 -16.677 -10.880 -13.062 1.00 10.97 C ATOM 43 C THR A 4 -16.014 -9.857 -13.990 1.00 9.49 C ATOM 44 O THR A 4 -16.456 -9.648 -15.122 1.00 9.49 O ATOM 45 CB THR A 4 -15.872 -12.190 -13.095 1.00 11.80 C ATOM 46 OG1 THR A 4 -15.845 -12.735 -14.399 1.00 12.06 O ATOM 47 CG2 THR A 4 -16.434 -13.268 -12.170 1.00 13.51 C ATOM 0 H THR A 4 -18.245 -11.795 -14.096 1.00 12.00 H new ATOM 0 HA THR A 4 -16.664 -10.478 -12.049 1.00 10.97 H new ATOM 0 HB THR A 4 -14.873 -11.916 -12.756 1.00 11.80 H new ATOM 0 HG1 THR A 4 -15.326 -13.566 -14.395 1.00 12.06 H new ATOM 0 HG21 THR A 4 -15.820 -14.165 -12.242 1.00 13.51 H new ATOM 0 HG22 THR A 4 -16.428 -12.905 -11.142 1.00 13.51 H new ATOM 0 HG23 THR A 4 -17.456 -13.504 -12.465 1.00 13.51 H new ATOM 55 N MET A 5 -14.921 -9.242 -13.536 1.00 8.66 N ATOM 56 CA MET A 5 -14.181 -8.173 -14.228 1.00 7.57 C ATOM 57 C MET A 5 -13.591 -8.530 -15.610 1.00 7.10 C ATOM 58 O MET A 5 -13.362 -7.638 -16.429 1.00 7.06 O ATOM 59 CB MET A 5 -13.118 -7.619 -13.260 1.00 7.78 C ATOM 60 CG MET A 5 -12.219 -8.658 -12.576 1.00 8.91 C ATOM 61 SD MET A 5 -11.092 -9.569 -13.661 1.00 9.47 S ATOM 62 CE MET A 5 -10.329 -10.688 -12.463 1.00 11.40 C ATOM 0 H MET A 5 -14.505 -9.482 -12.636 1.00 8.66 H new ATOM 0 HA MET A 5 -14.911 -7.407 -14.489 1.00 7.57 H new ATOM 0 HB2 MET A 5 -12.483 -6.925 -13.810 1.00 7.78 H new ATOM 0 HB3 MET A 5 -13.626 -7.043 -12.487 1.00 7.78 H new ATOM 0 HG2 MET A 5 -11.627 -8.152 -11.813 1.00 8.91 H new ATOM 0 HG3 MET A 5 -12.856 -9.377 -12.060 1.00 8.91 H new ATOM 0 HE1 MET A 5 -9.604 -11.324 -12.970 1.00 11.40 H new ATOM 0 HE2 MET A 5 -9.825 -10.106 -11.691 1.00 11.40 H new ATOM 0 HE3 MET A 5 -11.098 -11.309 -12.004 1.00 11.40 H new ATOM 72 N GLY A 35 -13.409 -9.816 -15.924 1.00 7.32 N ATOM 73 CA GLY A 35 -13.052 -10.304 -17.270 1.00 7.28 C ATOM 74 C GLY A 35 -11.622 -9.997 -17.754 1.00 6.28 C ATOM 75 O GLY A 35 -11.376 -9.949 -18.963 1.00 6.66 O ATOM 0 H GLY A 35 -13.506 -10.566 -15.240 1.00 7.32 H new ATOM 0 HA2 GLY A 35 -13.195 -11.384 -17.290 1.00 7.28 H new ATOM 0 HA3 GLY A 35 -13.754 -9.876 -17.986 1.00 7.28 H new ATOM 79 N ALA A 36 -10.680 -9.769 -16.836 1.00 5.56 N ATOM 80 CA ALA A 36 -9.274 -9.466 -17.115 1.00 5.13 C ATOM 81 C ALA A 36 -8.314 -10.569 -16.618 1.00 4.84 C ATOM 82 O ALA A 36 -8.657 -11.400 -15.772 1.00 5.43 O ATOM 83 CB ALA A 36 -8.941 -8.093 -16.516 1.00 5.58 C ATOM 0 H ALA A 36 -10.884 -9.791 -15.837 1.00 5.56 H new ATOM 0 HA ALA A 36 -9.129 -9.435 -18.195 1.00 5.13 H new ATOM 0 HB1 ALA A 36 -7.897 -7.853 -16.715 1.00 5.58 H new ATOM 0 HB2 ALA A 36 -9.581 -7.334 -16.967 1.00 5.58 H new ATOM 0 HB3 ALA A 36 -9.109 -8.115 -15.439 1.00 5.58 H new ATOM 89 N GLY A 37 -7.092 -10.579 -17.153 1.00 4.59 N ATOM 90 CA GLY A 37 -6.055 -11.562 -16.831 1.00 4.74 C ATOM 91 C GLY A 37 -4.789 -11.372 -17.668 1.00 4.30 C ATOM 92 O GLY A 37 -4.737 -10.485 -18.525 1.00 4.43 O ATOM 0 H GLY A 37 -6.788 -9.888 -17.839 1.00 4.59 H new ATOM 0 HA2 GLY A 37 -5.802 -11.486 -15.773 1.00 4.74 H new ATOM 0 HA3 GLY A 37 -6.447 -12.566 -16.994 1.00 4.74 H new ATOM 96 N GLY A 38 -3.784 -12.210 -17.419 1.00 4.49 N ATOM 97 CA GLY A 38 -2.431 -12.095 -17.962 1.00 4.47 C ATOM 98 C GLY A 38 -1.467 -11.566 -16.900 1.00 4.03 C ATOM 99 O GLY A 38 -1.681 -10.496 -16.328 1.00 4.05 O ATOM 0 H GLY A 38 -3.894 -13.020 -16.809 1.00 4.49 H new ATOM 0 HA2 GLY A 38 -2.092 -13.068 -18.316 1.00 4.47 H new ATOM 0 HA3 GLY A 38 -2.435 -11.426 -18.823 1.00 4.47 H new ATOM 103 N GLY A 39 -0.403 -12.322 -16.618 1.00 4.27 N ATOM 104 CA GLY A 39 0.559 -11.989 -15.567 1.00 4.39 C ATOM 105 C GLY A 39 1.211 -10.627 -15.800 1.00 3.89 C ATOM 106 O GLY A 39 1.802 -10.382 -16.856 1.00 3.94 O ATOM 0 H GLY A 39 -0.185 -13.186 -17.115 1.00 4.27 H new ATOM 0 HA2 GLY A 39 0.055 -11.989 -14.601 1.00 4.39 H new ATOM 0 HA3 GLY A 39 1.330 -12.758 -15.524 1.00 4.39 H new ATOM 110 N GLY A 40 1.077 -9.724 -14.831 1.00 3.73 N ATOM 111 CA GLY A 40 1.651 -8.378 -14.854 1.00 3.43 C ATOM 112 C GLY A 40 0.990 -7.378 -15.809 1.00 2.94 C ATOM 113 O GLY A 40 1.469 -6.246 -15.934 1.00 4.21 O ATOM 0 H GLY A 40 0.549 -9.914 -13.980 1.00 3.73 H new ATOM 0 HA2 GLY A 40 1.606 -7.969 -13.845 1.00 3.43 H new ATOM 0 HA3 GLY A 40 2.705 -8.459 -15.119 1.00 3.43 H new ATOM 117 N SER A 41 -0.098 -7.770 -16.471 1.00 1.72 N ATOM 118 CA SER A 41 -0.835 -6.946 -17.433 1.00 1.50 C ATOM 119 C SER A 41 -1.601 -5.818 -16.743 1.00 1.11 C ATOM 120 O SER A 41 -2.189 -6.014 -15.683 1.00 0.94 O ATOM 121 CB SER A 41 -1.803 -7.795 -18.252 1.00 2.46 C ATOM 122 OG SER A 41 -1.107 -8.546 -19.230 1.00 3.86 O ATOM 0 H SER A 41 -0.505 -8.698 -16.350 1.00 1.72 H new ATOM 0 HA SER A 41 -0.096 -6.502 -18.100 1.00 1.50 H new ATOM 0 HB2 SER A 41 -2.352 -8.467 -17.593 1.00 2.46 H new ATOM 0 HB3 SER A 41 -2.539 -7.152 -18.736 1.00 2.46 H new ATOM 0 HG SER A 41 -1.744 -9.085 -19.743 1.00 3.86 H new ATOM 128 N ALA A 42 -1.651 -4.638 -17.355 1.00 1.11 N ATOM 129 CA ALA A 42 -2.240 -3.449 -16.725 1.00 0.93 C ATOM 130 C ALA A 42 -3.729 -3.633 -16.350 1.00 0.87 C ATOM 131 O ALA A 42 -4.142 -3.301 -15.239 1.00 0.80 O ATOM 132 CB ALA A 42 -2.018 -2.255 -17.652 1.00 1.16 C ATOM 0 H ALA A 42 -1.289 -4.474 -18.294 1.00 1.11 H new ATOM 0 HA ALA A 42 -1.740 -3.273 -15.773 1.00 0.93 H new ATOM 0 HB1 ALA A 42 -2.449 -1.360 -17.202 1.00 1.16 H new ATOM 0 HB2 ALA A 42 -0.949 -2.106 -17.804 1.00 1.16 H new ATOM 0 HB3 ALA A 42 -2.498 -2.445 -18.612 1.00 1.16 H new ATOM 138 N GLU A 43 -4.516 -4.261 -17.228 1.00 0.94 N ATOM 139 CA GLU A 43 -5.906 -4.662 -16.964 1.00 0.95 C ATOM 140 C GLU A 43 -6.058 -5.687 -15.824 1.00 0.81 C ATOM 141 O GLU A 43 -7.093 -5.726 -15.160 1.00 0.78 O ATOM 142 CB GLU A 43 -6.558 -5.198 -18.253 1.00 1.19 C ATOM 143 CG GLU A 43 -5.792 -6.306 -19.008 1.00 1.22 C ATOM 144 CD GLU A 43 -4.883 -5.776 -20.133 1.00 1.68 C ATOM 145 OE1 GLU A 43 -4.303 -4.672 -19.996 1.00 2.74 O ATOM 146 OE2 GLU A 43 -4.732 -6.472 -21.166 1.00 2.48 O ATOM 0 H GLU A 43 -4.200 -4.512 -18.165 1.00 0.94 H new ATOM 0 HA GLU A 43 -6.421 -3.762 -16.628 1.00 0.95 H new ATOM 0 HB2 GLU A 43 -7.547 -5.580 -18.001 1.00 1.19 H new ATOM 0 HB3 GLU A 43 -6.704 -4.360 -18.935 1.00 1.19 H new ATOM 0 HG2 GLU A 43 -5.185 -6.865 -18.296 1.00 1.22 H new ATOM 0 HG3 GLU A 43 -6.511 -7.006 -19.434 1.00 1.22 H new ATOM 153 N GLN A 44 -5.031 -6.497 -15.553 1.00 0.77 N ATOM 154 CA GLN A 44 -5.019 -7.413 -14.414 1.00 0.72 C ATOM 155 C GLN A 44 -4.660 -6.662 -13.135 1.00 0.57 C ATOM 156 O GLN A 44 -5.394 -6.759 -12.158 1.00 0.51 O ATOM 157 CB GLN A 44 -4.046 -8.560 -14.694 1.00 0.85 C ATOM 158 CG GLN A 44 -3.778 -9.473 -13.496 1.00 0.92 C ATOM 159 CD GLN A 44 -5.011 -10.182 -12.929 1.00 1.02 C ATOM 160 OE1 GLN A 44 -5.382 -11.285 -13.318 1.00 1.41 O ATOM 161 NE2 GLN A 44 -5.687 -9.567 -11.983 1.00 0.95 N ATOM 0 H GLN A 44 -4.184 -6.535 -16.120 1.00 0.77 H new ATOM 0 HA GLN A 44 -6.013 -7.838 -14.271 1.00 0.72 H new ATOM 0 HB2 GLN A 44 -4.440 -9.162 -15.512 1.00 0.85 H new ATOM 0 HB3 GLN A 44 -3.099 -8.141 -15.034 1.00 0.85 H new ATOM 0 HG2 GLN A 44 -3.048 -10.227 -13.790 1.00 0.92 H new ATOM 0 HG3 GLN A 44 -3.322 -8.881 -12.703 1.00 0.92 H new ATOM 0 HE21 GLN A 44 -5.385 -8.650 -11.654 1.00 0.95 H new ATOM 0 HE22 GLN A 44 -6.513 -10.007 -11.578 1.00 0.95 H new ATOM 170 N LEU A 45 -3.567 -5.897 -13.132 1.00 0.55 N ATOM 171 CA LEU A 45 -3.190 -4.990 -12.044 1.00 0.42 C ATOM 172 C LEU A 45 -4.337 -4.062 -11.600 1.00 0.48 C ATOM 173 O LEU A 45 -4.469 -3.802 -10.405 1.00 0.43 O ATOM 174 CB LEU A 45 -1.983 -4.170 -12.502 1.00 0.45 C ATOM 175 CG LEU A 45 -0.602 -4.830 -12.340 1.00 0.47 C ATOM 176 CD1 LEU A 45 -0.075 -4.637 -10.915 1.00 0.65 C ATOM 177 CD2 LEU A 45 -0.525 -6.321 -12.665 1.00 0.67 C ATOM 0 H LEU A 45 -2.902 -5.890 -13.905 1.00 0.55 H new ATOM 0 HA LEU A 45 -2.944 -5.593 -11.170 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -2.120 -3.920 -13.554 1.00 0.45 H new ATOM 0 HB3 LEU A 45 -1.979 -3.231 -11.949 1.00 0.45 H new ATOM 0 HG LEU A 45 0.009 -4.319 -13.084 1.00 0.47 H new ATOM 0 HD11 LEU A 45 0.902 -5.111 -10.821 1.00 0.65 H new ATOM 0 HD12 LEU A 45 0.016 -3.572 -10.702 1.00 0.65 H new ATOM 0 HD13 LEU A 45 -0.768 -5.091 -10.206 1.00 0.65 H new ATOM 0 HD21 LEU A 45 0.495 -6.674 -12.514 1.00 0.67 H new ATOM 0 HD22 LEU A 45 -1.200 -6.872 -12.010 1.00 0.67 H new ATOM 0 HD23 LEU A 45 -0.815 -6.483 -13.703 1.00 0.67 H new ATOM 189 N ASP A 46 -5.208 -3.634 -12.521 1.00 0.64 N ATOM 190 CA ASP A 46 -6.416 -2.861 -12.181 1.00 0.72 C ATOM 191 C ASP A 46 -7.356 -3.672 -11.263 1.00 0.62 C ATOM 192 O ASP A 46 -7.683 -3.250 -10.153 1.00 0.52 O ATOM 193 CB ASP A 46 -7.124 -2.419 -13.475 1.00 0.92 C ATOM 194 CG ASP A 46 -8.267 -1.425 -13.230 1.00 1.09 C ATOM 195 OD1 ASP A 46 -9.433 -1.855 -13.060 1.00 2.58 O ATOM 196 OD2 ASP A 46 -8.017 -0.194 -13.286 1.00 1.46 O ATOM 0 H ASP A 46 -5.099 -3.811 -13.520 1.00 0.64 H new ATOM 0 HA ASP A 46 -6.125 -1.970 -11.624 1.00 0.72 H new ATOM 0 HB2 ASP A 46 -6.393 -1.965 -14.144 1.00 0.92 H new ATOM 0 HB3 ASP A 46 -7.519 -3.298 -13.984 1.00 0.92 H new ATOM 201 N ALA A 47 -7.691 -4.905 -11.653 1.00 0.70 N ATOM 202 CA ALA A 47 -8.485 -5.816 -10.825 1.00 0.72 C ATOM 203 C ALA A 47 -7.777 -6.152 -9.509 1.00 0.57 C ATOM 204 O ALA A 47 -8.437 -6.334 -8.484 1.00 0.67 O ATOM 205 CB ALA A 47 -8.712 -7.109 -11.612 1.00 0.94 C ATOM 0 H ALA A 47 -7.419 -5.300 -12.553 1.00 0.70 H new ATOM 0 HA ALA A 47 -9.429 -5.328 -10.582 1.00 0.72 H new ATOM 0 HB1 ALA A 47 -9.302 -7.801 -11.012 1.00 0.94 H new ATOM 0 HB2 ALA A 47 -9.245 -6.884 -12.536 1.00 0.94 H new ATOM 0 HB3 ALA A 47 -7.750 -7.564 -11.850 1.00 0.94 H new ATOM 211 N LEU A 48 -6.442 -6.202 -9.547 1.00 0.44 N ATOM 212 CA LEU A 48 -5.545 -6.501 -8.435 1.00 0.37 C ATOM 213 C LEU A 48 -5.624 -5.428 -7.344 1.00 0.36 C ATOM 214 O LEU A 48 -5.724 -5.766 -6.162 1.00 0.48 O ATOM 215 CB LEU A 48 -4.131 -6.650 -9.009 1.00 0.29 C ATOM 216 CG LEU A 48 -3.346 -7.865 -8.497 1.00 0.76 C ATOM 217 CD1 LEU A 48 -2.595 -8.582 -9.618 1.00 0.51 C ATOM 218 CD2 LEU A 48 -2.318 -7.347 -7.521 1.00 1.79 C ATOM 0 H LEU A 48 -5.930 -6.023 -10.411 1.00 0.44 H new ATOM 0 HA LEU A 48 -5.840 -7.430 -7.947 1.00 0.37 H new ATOM 0 HB2 LEU A 48 -4.201 -6.713 -10.095 1.00 0.29 H new ATOM 0 HB3 LEU A 48 -3.565 -5.748 -8.778 1.00 0.29 H new ATOM 0 HG LEU A 48 -4.047 -8.571 -8.051 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -2.055 -9.435 -9.207 1.00 0.51 H new ATOM 0 HD12 LEU A 48 -3.306 -8.930 -10.367 1.00 0.51 H new ATOM 0 HD13 LEU A 48 -1.888 -7.893 -10.081 1.00 0.51 H new ATOM 0 HD21 LEU A 48 -1.735 -8.181 -7.130 1.00 1.79 H new ATOM 0 HD22 LEU A 48 -1.655 -6.646 -8.029 1.00 1.79 H new ATOM 0 HD23 LEU A 48 -2.821 -6.839 -6.698 1.00 1.79 H new ATOM 230 N VAL A 49 -5.678 -4.145 -7.714 1.00 0.38 N ATOM 231 CA VAL A 49 -5.984 -3.082 -6.744 1.00 0.42 C ATOM 232 C VAL A 49 -7.462 -2.997 -6.377 1.00 0.46 C ATOM 233 O VAL A 49 -7.783 -2.583 -5.266 1.00 0.59 O ATOM 234 CB VAL A 49 -5.443 -1.703 -7.161 1.00 0.45 C ATOM 235 CG1 VAL A 49 -3.931 -1.657 -7.304 1.00 0.44 C ATOM 236 CG2 VAL A 49 -6.000 -1.188 -8.486 1.00 0.46 C ATOM 0 H VAL A 49 -5.516 -3.817 -8.666 1.00 0.38 H new ATOM 0 HA VAL A 49 -5.449 -3.382 -5.843 1.00 0.42 H new ATOM 0 HB VAL A 49 -5.776 -1.072 -6.337 1.00 0.45 H new ATOM 0 HG11 VAL A 49 -3.624 -0.654 -7.600 1.00 0.44 H new ATOM 0 HG12 VAL A 49 -3.467 -1.912 -6.351 1.00 0.44 H new ATOM 0 HG13 VAL A 49 -3.615 -2.372 -8.064 1.00 0.44 H new ATOM 0 HG21 VAL A 49 -5.569 -0.212 -8.707 1.00 0.46 H new ATOM 0 HG22 VAL A 49 -5.746 -1.886 -9.284 1.00 0.46 H new ATOM 0 HG23 VAL A 49 -7.084 -1.098 -8.415 1.00 0.46 H new ATOM 246 N LYS A 50 -8.373 -3.445 -7.244 1.00 0.43 N ATOM 247 CA LYS A 50 -9.815 -3.426 -7.005 1.00 0.43 C ATOM 248 C LYS A 50 -10.357 -4.608 -6.194 1.00 0.45 C ATOM 249 O LYS A 50 -11.558 -4.657 -5.923 1.00 0.52 O ATOM 250 CB LYS A 50 -10.453 -3.257 -8.380 1.00 0.45 C ATOM 251 CG LYS A 50 -10.272 -1.841 -8.951 1.00 1.15 C ATOM 252 CD LYS A 50 -10.751 -0.654 -8.101 1.00 0.67 C ATOM 253 CE LYS A 50 -12.256 -0.659 -7.826 1.00 1.40 C ATOM 254 NZ LYS A 50 -12.637 0.522 -7.015 1.00 2.24 N ATOM 0 H LYS A 50 -8.122 -3.839 -8.151 1.00 0.43 H new ATOM 0 HA LYS A 50 -10.079 -2.598 -6.347 1.00 0.43 H new ATOM 0 HB2 LYS A 50 -10.017 -3.980 -9.069 1.00 0.45 H new ATOM 0 HB3 LYS A 50 -11.517 -3.483 -8.312 1.00 0.45 H new ATOM 0 HG2 LYS A 50 -9.211 -1.697 -9.158 1.00 1.15 H new ATOM 0 HG3 LYS A 50 -10.792 -1.798 -9.908 1.00 1.15 H new ATOM 0 HD2 LYS A 50 -10.217 -0.661 -7.151 1.00 0.67 H new ATOM 0 HD3 LYS A 50 -10.487 0.274 -8.608 1.00 0.67 H new ATOM 0 HE2 LYS A 50 -12.804 -0.653 -8.768 1.00 1.40 H new ATOM 0 HE3 LYS A 50 -12.533 -1.573 -7.301 1.00 1.40 H new ATOM 0 HZ1 LYS A 50 -13.661 0.505 -6.837 1.00 2.24 H new ATOM 0 HZ2 LYS A 50 -12.127 0.500 -6.109 1.00 2.24 H new ATOM 0 HZ3 LYS A 50 -12.390 1.391 -7.530 1.00 2.24 H new ATOM 268 N LYS A 51 -9.472 -5.480 -5.702 1.00 0.43 N ATOM 269 CA LYS A 51 -9.743 -6.465 -4.635 1.00 0.54 C ATOM 270 C LYS A 51 -10.320 -5.826 -3.376 1.00 0.70 C ATOM 271 O LYS A 51 -11.095 -6.467 -2.661 1.00 0.86 O ATOM 272 CB LYS A 51 -8.432 -7.157 -4.216 1.00 0.92 C ATOM 273 CG LYS A 51 -8.227 -8.552 -4.807 1.00 1.24 C ATOM 274 CD LYS A 51 -8.098 -8.509 -6.327 1.00 1.15 C ATOM 275 CE LYS A 51 -7.392 -9.739 -6.893 1.00 1.45 C ATOM 276 NZ LYS A 51 -8.194 -10.968 -6.709 1.00 1.74 N ATOM 0 H LYS A 51 -8.512 -5.526 -6.043 1.00 0.43 H new ATOM 0 HA LYS A 51 -10.467 -7.167 -5.049 1.00 0.54 H new ATOM 0 HB2 LYS A 51 -7.594 -6.526 -4.511 1.00 0.92 H new ATOM 0 HB3 LYS A 51 -8.408 -7.231 -3.129 1.00 0.92 H new ATOM 0 HG2 LYS A 51 -7.331 -9.000 -4.378 1.00 1.24 H new ATOM 0 HG3 LYS A 51 -9.066 -9.191 -4.531 1.00 1.24 H new ATOM 0 HD2 LYS A 51 -9.091 -8.429 -6.770 1.00 1.15 H new ATOM 0 HD3 LYS A 51 -7.547 -7.614 -6.616 1.00 1.15 H new ATOM 0 HE2 LYS A 51 -7.196 -9.589 -7.955 1.00 1.45 H new ATOM 0 HE3 LYS A 51 -6.425 -9.860 -6.404 1.00 1.45 H new ATOM 0 HZ1 LYS A 51 -7.680 -11.780 -7.106 1.00 1.74 H new ATOM 0 HZ2 LYS A 51 -8.360 -11.126 -5.694 1.00 1.74 H new ATOM 0 HZ3 LYS A 51 -9.107 -10.863 -7.197 1.00 1.74 H new ATOM 290 N ASP A 52 -9.874 -4.613 -3.050 1.00 0.78 N ATOM 291 CA ASP A 52 -10.153 -4.002 -1.752 1.00 0.76 C ATOM 292 C ASP A 52 -10.182 -2.470 -1.815 1.00 0.76 C ATOM 293 O ASP A 52 -9.892 -1.855 -2.845 1.00 0.77 O ATOM 294 CB ASP A 52 -9.085 -4.488 -0.753 1.00 0.74 C ATOM 295 CG ASP A 52 -9.618 -4.608 0.669 1.00 0.88 C ATOM 296 OD1 ASP A 52 -9.709 -3.580 1.370 1.00 2.39 O ATOM 297 OD2 ASP A 52 -10.031 -5.728 1.049 1.00 1.30 O ATOM 0 H ASP A 52 -9.314 -4.031 -3.673 1.00 0.78 H new ATOM 0 HA ASP A 52 -11.148 -4.307 -1.429 1.00 0.76 H new ATOM 0 HB2 ASP A 52 -8.705 -5.457 -1.077 1.00 0.74 H new ATOM 0 HB3 ASP A 52 -8.243 -3.796 -0.763 1.00 0.74 H new ATOM 302 N LYS A 53 -10.471 -1.846 -0.675 1.00 0.74 N ATOM 303 CA LYS A 53 -10.189 -0.426 -0.443 1.00 0.63 C ATOM 304 C LYS A 53 -8.757 -0.165 -0.025 1.00 0.41 C ATOM 305 O LYS A 53 -8.307 0.958 -0.208 1.00 0.36 O ATOM 306 CB LYS A 53 -11.141 0.234 0.544 1.00 0.73 C ATOM 307 CG LYS A 53 -12.015 -0.666 1.398 1.00 0.92 C ATOM 308 CD LYS A 53 -11.288 -1.178 2.647 1.00 0.82 C ATOM 309 CE LYS A 53 -11.972 -2.419 3.227 1.00 0.89 C ATOM 310 NZ LYS A 53 -11.003 -3.271 3.954 1.00 1.60 N ATOM 0 H LYS A 53 -10.910 -2.311 0.120 1.00 0.74 H new ATOM 0 HA LYS A 53 -10.351 0.035 -1.417 1.00 0.63 H new ATOM 0 HB2 LYS A 53 -10.549 0.858 1.213 1.00 0.73 H new ATOM 0 HB3 LYS A 53 -11.796 0.901 -0.018 1.00 0.73 H new ATOM 0 HG2 LYS A 53 -12.908 -0.119 1.700 1.00 0.92 H new ATOM 0 HG3 LYS A 53 -12.348 -1.515 0.802 1.00 0.92 H new ATOM 0 HD2 LYS A 53 -10.254 -1.415 2.396 1.00 0.82 H new ATOM 0 HD3 LYS A 53 -11.260 -0.391 3.401 1.00 0.82 H new ATOM 0 HE2 LYS A 53 -12.772 -2.115 3.902 1.00 0.89 H new ATOM 0 HE3 LYS A 53 -12.434 -2.993 2.423 1.00 0.89 H new ATOM 0 HZ1 LYS A 53 -11.493 -4.105 4.337 1.00 1.60 H new ATOM 0 HZ2 LYS A 53 -10.254 -3.579 3.302 1.00 1.60 H new ATOM 0 HZ3 LYS A 53 -10.581 -2.729 4.735 1.00 1.60 H new ATOM 324 N VAL A 54 -8.058 -1.156 0.519 1.00 0.41 N ATOM 325 CA VAL A 54 -6.637 -1.066 0.860 1.00 0.36 C ATOM 326 C VAL A 54 -5.924 -2.294 0.325 1.00 0.48 C ATOM 327 O VAL A 54 -6.226 -3.434 0.668 1.00 0.89 O ATOM 328 CB VAL A 54 -6.369 -0.927 2.373 1.00 0.31 C ATOM 329 CG1 VAL A 54 -5.303 0.119 2.664 1.00 0.43 C ATOM 330 CG2 VAL A 54 -7.613 -0.625 3.195 1.00 0.31 C ATOM 0 H VAL A 54 -8.469 -2.063 0.741 1.00 0.41 H new ATOM 0 HA VAL A 54 -6.255 -0.155 0.399 1.00 0.36 H new ATOM 0 HB VAL A 54 -6.010 -1.909 2.680 1.00 0.31 H new ATOM 0 HG11 VAL A 54 -5.144 0.186 3.740 1.00 0.43 H new ATOM 0 HG12 VAL A 54 -4.371 -0.166 2.176 1.00 0.43 H new ATOM 0 HG13 VAL A 54 -5.630 1.087 2.284 1.00 0.43 H new ATOM 0 HG21 VAL A 54 -7.342 -0.542 4.248 1.00 0.31 H new ATOM 0 HG22 VAL A 54 -8.053 0.314 2.858 1.00 0.31 H new ATOM 0 HG23 VAL A 54 -8.337 -1.430 3.069 1.00 0.31 H new ATOM 340 N VAL A 55 -4.939 -2.057 -0.512 1.00 0.28 N ATOM 341 CA VAL A 55 -4.083 -3.102 -1.085 1.00 0.29 C ATOM 342 C VAL A 55 -2.638 -2.657 -1.011 1.00 0.25 C ATOM 343 O VAL A 55 -2.242 -1.607 -1.522 1.00 0.26 O ATOM 344 CB VAL A 55 -4.452 -3.456 -2.527 1.00 0.34 C ATOM 345 CG1 VAL A 55 -5.558 -4.499 -2.633 1.00 1.31 C ATOM 346 CG2 VAL A 55 -4.957 -2.242 -3.260 1.00 1.52 C ATOM 0 H VAL A 55 -4.696 -1.118 -0.827 1.00 0.28 H new ATOM 0 HA VAL A 55 -4.235 -4.007 -0.497 1.00 0.29 H new ATOM 0 HB VAL A 55 -3.533 -3.852 -2.960 1.00 0.34 H new ATOM 0 HG11 VAL A 55 -5.768 -4.701 -3.683 1.00 1.31 H new ATOM 0 HG12 VAL A 55 -5.239 -5.419 -2.143 1.00 1.31 H new ATOM 0 HG13 VAL A 55 -6.460 -4.124 -2.149 1.00 1.31 H new ATOM 0 HG21 VAL A 55 -5.214 -2.516 -4.283 1.00 1.52 H new ATOM 0 HG22 VAL A 55 -5.842 -1.854 -2.755 1.00 1.52 H new ATOM 0 HG23 VAL A 55 -4.182 -1.476 -3.273 1.00 1.52 H new ATOM 356 N VAL A 56 -1.865 -3.473 -0.321 1.00 0.24 N ATOM 357 CA VAL A 56 -0.490 -3.213 0.079 1.00 0.24 C ATOM 358 C VAL A 56 0.423 -4.150 -0.673 1.00 0.24 C ATOM 359 O VAL A 56 0.067 -5.286 -0.941 1.00 0.30 O ATOM 360 CB VAL A 56 -0.373 -3.369 1.596 1.00 0.25 C ATOM 361 CG1 VAL A 56 1.013 -3.120 2.125 1.00 0.36 C ATOM 362 CG2 VAL A 56 -1.181 -2.271 2.265 1.00 0.26 C ATOM 0 H VAL A 56 -2.195 -4.385 -0.006 1.00 0.24 H new ATOM 0 HA VAL A 56 -0.192 -2.194 -0.168 1.00 0.24 H new ATOM 0 HB VAL A 56 -0.695 -4.390 1.802 1.00 0.25 H new ATOM 0 HG11 VAL A 56 1.018 -3.249 3.207 1.00 0.36 H new ATOM 0 HG12 VAL A 56 1.708 -3.827 1.672 1.00 0.36 H new ATOM 0 HG13 VAL A 56 1.319 -2.103 1.879 1.00 0.36 H new ATOM 0 HG21 VAL A 56 -1.105 -2.372 3.348 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -0.793 -1.298 1.963 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -2.226 -2.354 1.965 1.00 0.26 H new ATOM 372 N PHE A 57 1.587 -3.658 -1.046 1.00 0.21 N ATOM 373 CA PHE A 57 2.392 -4.232 -2.115 1.00 0.23 C ATOM 374 C PHE A 57 3.854 -4.178 -1.720 1.00 0.24 C ATOM 375 O PHE A 57 4.453 -3.101 -1.731 1.00 0.31 O ATOM 376 CB PHE A 57 2.160 -3.336 -3.324 1.00 0.25 C ATOM 377 CG PHE A 57 0.931 -3.675 -4.143 1.00 0.26 C ATOM 378 CD1 PHE A 57 0.970 -4.708 -5.096 1.00 1.88 C ATOM 379 CD2 PHE A 57 -0.243 -2.930 -3.977 1.00 1.86 C ATOM 380 CE1 PHE A 57 -0.146 -4.953 -5.920 1.00 1.87 C ATOM 381 CE2 PHE A 57 -1.364 -3.183 -4.791 1.00 1.87 C ATOM 382 CZ PHE A 57 -1.318 -4.179 -5.792 1.00 0.29 C ATOM 0 H PHE A 57 2.010 -2.837 -0.612 1.00 0.21 H new ATOM 0 HA PHE A 57 2.128 -5.269 -2.320 1.00 0.23 H new ATOM 0 HB2 PHE A 57 2.078 -2.304 -2.983 1.00 0.25 H new ATOM 0 HB3 PHE A 57 3.036 -3.389 -3.971 1.00 0.25 H new ATOM 0 HD1 PHE A 57 1.858 -5.315 -5.197 1.00 1.88 H new ATOM 0 HD2 PHE A 57 -0.289 -2.159 -3.222 1.00 1.86 H new ATOM 0 HE1 PHE A 57 -0.104 -5.741 -6.657 1.00 1.87 H new ATOM 0 HE2 PHE A 57 -2.268 -2.610 -4.649 1.00 1.87 H new ATOM 0 HZ PHE A 57 -2.162 -4.344 -6.445 1.00 0.29 H new ATOM 392 N LEU A 58 4.420 -5.315 -1.320 1.00 0.24 N ATOM 393 CA LEU A 58 5.742 -5.328 -0.728 1.00 0.25 C ATOM 394 C LEU A 58 6.449 -6.672 -0.934 1.00 0.34 C ATOM 395 O LEU A 58 5.788 -7.706 -1.018 1.00 0.46 O ATOM 396 CB LEU A 58 5.643 -4.887 0.743 1.00 0.26 C ATOM 397 CG LEU A 58 4.308 -5.023 1.514 1.00 0.27 C ATOM 398 CD1 LEU A 58 3.923 -6.436 1.936 1.00 0.28 C ATOM 399 CD2 LEU A 58 4.398 -4.133 2.745 1.00 0.38 C ATOM 0 H LEU A 58 3.980 -6.232 -1.398 1.00 0.24 H new ATOM 0 HA LEU A 58 6.381 -4.608 -1.239 1.00 0.25 H new ATOM 0 HB2 LEU A 58 6.394 -5.448 1.299 1.00 0.26 H new ATOM 0 HB3 LEU A 58 5.934 -3.837 0.785 1.00 0.26 H new ATOM 0 HG LEU A 58 3.520 -4.724 0.822 1.00 0.27 H new ATOM 0 HD11 LEU A 58 2.972 -6.411 2.468 1.00 0.28 H new ATOM 0 HD12 LEU A 58 3.828 -7.067 1.052 1.00 0.28 H new ATOM 0 HD13 LEU A 58 4.694 -6.843 2.591 1.00 0.28 H new ATOM 0 HD21 LEU A 58 3.471 -4.204 3.314 1.00 0.38 H new ATOM 0 HD22 LEU A 58 5.232 -4.457 3.368 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.556 -3.100 2.436 1.00 0.38 H new ATOM 411 N LYS A 59 7.787 -6.706 -1.022 1.00 0.36 N ATOM 412 CA LYS A 59 8.538 -7.969 -1.168 1.00 0.47 C ATOM 413 C LYS A 59 8.558 -8.743 0.168 1.00 0.56 C ATOM 414 O LYS A 59 9.613 -8.975 0.722 1.00 0.68 O ATOM 415 CB LYS A 59 9.962 -7.655 -1.717 1.00 0.61 C ATOM 416 CG LYS A 59 10.769 -6.628 -0.893 1.00 0.77 C ATOM 417 CD LYS A 59 12.296 -6.803 -0.844 1.00 1.06 C ATOM 418 CE LYS A 59 12.896 -6.735 -2.248 1.00 1.25 C ATOM 419 NZ LYS A 59 14.359 -6.476 -2.207 1.00 1.65 N ATOM 0 H LYS A 59 8.375 -5.873 -0.995 1.00 0.36 H new ATOM 0 HA LYS A 59 8.046 -8.623 -1.888 1.00 0.47 H new ATOM 0 HB2 LYS A 59 10.529 -8.585 -1.766 1.00 0.61 H new ATOM 0 HB3 LYS A 59 9.868 -7.285 -2.738 1.00 0.61 H new ATOM 0 HG2 LYS A 59 10.556 -5.636 -1.290 1.00 0.77 H new ATOM 0 HG3 LYS A 59 10.395 -6.648 0.130 1.00 0.77 H new ATOM 0 HD2 LYS A 59 12.736 -6.026 -0.218 1.00 1.06 H new ATOM 0 HD3 LYS A 59 12.542 -7.760 -0.385 1.00 1.06 H new ATOM 0 HE2 LYS A 59 12.707 -7.673 -2.771 1.00 1.25 H new ATOM 0 HE3 LYS A 59 12.402 -5.947 -2.817 1.00 1.25 H new ATOM 0 HZ1 LYS A 59 14.732 -6.436 -3.177 1.00 1.65 H new ATOM 0 HZ2 LYS A 59 14.538 -5.569 -1.730 1.00 1.65 H new ATOM 0 HZ3 LYS A 59 14.832 -7.241 -1.685 1.00 1.65 H new ATOM 433 N GLY A 60 7.430 -9.146 0.749 1.00 0.57 N ATOM 434 CA GLY A 60 7.361 -9.561 2.170 1.00 0.59 C ATOM 435 C GLY A 60 5.923 -9.747 2.671 1.00 0.63 C ATOM 436 O GLY A 60 4.976 -9.586 1.902 1.00 0.83 O ATOM 0 H GLY A 60 6.536 -9.198 0.261 1.00 0.57 H new ATOM 0 HA2 GLY A 60 7.908 -10.495 2.297 1.00 0.59 H new ATOM 0 HA3 GLY A 60 7.861 -8.813 2.786 1.00 0.59 H new ATOM 440 N THR A 61 5.747 -10.008 3.969 1.00 0.67 N ATOM 441 CA THR A 61 4.415 -9.992 4.630 1.00 0.60 C ATOM 442 C THR A 61 4.327 -8.894 5.701 1.00 0.53 C ATOM 443 O THR A 61 5.359 -8.393 6.149 1.00 0.56 O ATOM 444 CB THR A 61 4.089 -11.359 5.265 1.00 0.78 C ATOM 445 OG1 THR A 61 4.970 -11.620 6.327 1.00 1.01 O ATOM 446 CG2 THR A 61 4.168 -12.522 4.280 1.00 0.84 C ATOM 0 H THR A 61 6.514 -10.237 4.601 1.00 0.67 H new ATOM 0 HA THR A 61 3.681 -9.778 3.853 1.00 0.60 H new ATOM 0 HB THR A 61 3.059 -11.288 5.613 1.00 0.78 H new ATOM 0 HG1 THR A 61 4.671 -12.418 6.811 1.00 1.01 H new ATOM 0 HG21 THR A 61 3.927 -13.452 4.795 1.00 0.84 H new ATOM 0 HG22 THR A 61 3.457 -12.361 3.469 1.00 0.84 H new ATOM 0 HG23 THR A 61 5.176 -12.585 3.871 1.00 0.84 H new ATOM 454 N PRO A 62 3.116 -8.492 6.138 1.00 0.51 N ATOM 455 CA PRO A 62 2.956 -7.512 7.215 1.00 0.52 C ATOM 456 C PRO A 62 3.212 -8.118 8.606 1.00 0.86 C ATOM 457 O PRO A 62 3.665 -7.424 9.514 1.00 0.90 O ATOM 458 CB PRO A 62 1.518 -7.004 7.075 1.00 0.61 C ATOM 459 CG PRO A 62 0.782 -8.210 6.494 1.00 0.73 C ATOM 460 CD PRO A 62 1.820 -8.842 5.575 1.00 0.55 C ATOM 0 HA PRO A 62 3.686 -6.707 7.130 1.00 0.52 H new ATOM 0 HB2 PRO A 62 1.102 -6.702 8.036 1.00 0.61 H new ATOM 0 HB3 PRO A 62 1.458 -6.138 6.415 1.00 0.61 H new ATOM 0 HG2 PRO A 62 0.462 -8.900 7.274 1.00 0.73 H new ATOM 0 HG3 PRO A 62 -0.112 -7.911 5.946 1.00 0.73 H new ATOM 0 HD2 PRO A 62 1.694 -9.924 5.528 1.00 0.55 H new ATOM 0 HD3 PRO A 62 1.722 -8.465 4.557 1.00 0.55 H new ATOM 468 N GLU A 63 2.952 -9.419 8.771 1.00 1.23 N ATOM 469 CA GLU A 63 3.204 -10.167 10.009 1.00 1.55 C ATOM 470 C GLU A 63 4.701 -10.408 10.262 1.00 1.63 C ATOM 471 O GLU A 63 5.151 -10.362 11.414 1.00 1.80 O ATOM 472 CB GLU A 63 2.367 -11.463 10.025 1.00 1.68 C ATOM 473 CG GLU A 63 2.406 -12.395 8.791 1.00 1.97 C ATOM 474 CD GLU A 63 3.516 -13.458 8.790 1.00 2.31 C ATOM 475 OE1 GLU A 63 3.720 -14.151 9.813 1.00 3.26 O ATOM 476 OE2 GLU A 63 4.154 -13.666 7.728 1.00 3.22 O ATOM 0 H GLU A 63 2.551 -9.995 8.031 1.00 1.23 H new ATOM 0 HA GLU A 63 2.877 -9.554 10.849 1.00 1.55 H new ATOM 0 HB2 GLU A 63 2.682 -12.048 10.889 1.00 1.68 H new ATOM 0 HB3 GLU A 63 1.327 -11.181 10.192 1.00 1.68 H new ATOM 0 HG2 GLU A 63 1.444 -12.901 8.711 1.00 1.97 H new ATOM 0 HG3 GLU A 63 2.517 -11.780 7.898 1.00 1.97 H new ATOM 483 N GLN A 64 5.480 -10.581 9.187 1.00 1.57 N ATOM 484 CA GLN A 64 6.931 -10.694 9.178 1.00 1.60 C ATOM 485 C GLN A 64 7.521 -9.795 8.072 1.00 1.68 C ATOM 486 O GLN A 64 7.766 -10.270 6.954 1.00 1.73 O ATOM 487 CB GLN A 64 7.308 -12.153 8.977 1.00 1.79 C ATOM 488 CG GLN A 64 7.049 -12.984 10.245 1.00 1.99 C ATOM 489 CD GLN A 64 7.335 -14.454 10.008 1.00 2.26 C ATOM 490 OE1 GLN A 64 8.441 -14.949 10.200 1.00 2.76 O ATOM 491 NE2 GLN A 64 6.366 -15.205 9.545 1.00 2.56 N ATOM 0 H GLN A 64 5.084 -10.649 8.249 1.00 1.57 H new ATOM 0 HA GLN A 64 7.344 -10.357 10.129 1.00 1.60 H new ATOM 0 HB2 GLN A 64 6.735 -12.566 8.147 1.00 1.79 H new ATOM 0 HB3 GLN A 64 8.361 -12.223 8.704 1.00 1.79 H new ATOM 0 HG2 GLN A 64 7.675 -12.616 11.058 1.00 1.99 H new ATOM 0 HG3 GLN A 64 6.013 -12.859 10.559 1.00 1.99 H new ATOM 0 HE21 GLN A 64 5.443 -14.803 9.382 1.00 2.56 H new ATOM 0 HE22 GLN A 64 6.535 -16.191 9.348 1.00 2.56 H new ATOM 500 N PRO A 65 7.741 -8.496 8.358 1.00 2.18 N ATOM 501 CA PRO A 65 8.329 -7.550 7.412 1.00 2.31 C ATOM 502 C PRO A 65 9.709 -8.033 6.945 1.00 1.92 C ATOM 503 O PRO A 65 10.562 -8.394 7.762 1.00 2.39 O ATOM 504 CB PRO A 65 8.377 -6.205 8.148 1.00 2.93 C ATOM 505 CG PRO A 65 8.331 -6.581 9.625 1.00 3.27 C ATOM 506 CD PRO A 65 7.488 -7.848 9.637 1.00 2.89 C ATOM 0 HA PRO A 65 7.743 -7.455 6.498 1.00 2.31 H new ATOM 0 HB2 PRO A 65 9.285 -5.652 7.907 1.00 2.93 H new ATOM 0 HB3 PRO A 65 7.534 -5.571 7.873 1.00 2.93 H new ATOM 0 HG2 PRO A 65 9.329 -6.758 10.026 1.00 3.27 H new ATOM 0 HG3 PRO A 65 7.880 -5.792 10.227 1.00 3.27 H new ATOM 0 HD2 PRO A 65 7.767 -8.497 10.467 1.00 2.89 H new ATOM 0 HD3 PRO A 65 6.430 -7.614 9.756 1.00 2.89 H new ATOM 514 N GLN A 66 9.917 -8.071 5.624 1.00 1.26 N ATOM 515 CA GLN A 66 11.093 -8.692 4.999 1.00 1.02 C ATOM 516 C GLN A 66 12.400 -7.952 5.356 1.00 1.43 C ATOM 517 O GLN A 66 13.442 -8.551 5.632 1.00 1.86 O ATOM 518 CB GLN A 66 10.908 -8.772 3.483 1.00 0.76 C ATOM 519 CG GLN A 66 11.404 -7.605 2.619 1.00 1.63 C ATOM 520 CD GLN A 66 10.506 -6.382 2.656 1.00 1.05 C ATOM 521 OE1 GLN A 66 10.896 -5.263 2.951 1.00 2.55 O ATOM 522 NE2 GLN A 66 9.271 -6.559 2.277 1.00 1.87 N ATOM 0 H GLN A 66 9.267 -7.667 4.950 1.00 1.26 H new ATOM 0 HA GLN A 66 11.182 -9.703 5.397 1.00 1.02 H new ATOM 0 HB2 GLN A 66 11.408 -9.676 3.136 1.00 0.76 H new ATOM 0 HB3 GLN A 66 9.844 -8.901 3.286 1.00 0.76 H new ATOM 0 HG2 GLN A 66 12.402 -7.320 2.951 1.00 1.63 H new ATOM 0 HG3 GLN A 66 11.496 -7.944 1.587 1.00 1.63 H new ATOM 0 HE21 GLN A 66 8.942 -7.492 2.030 1.00 1.87 H new ATOM 0 HE22 GLN A 66 8.634 -5.764 2.228 1.00 1.87 H new ATOM 531 N CYS A 67 12.308 -6.622 5.260 1.00 1.35 N ATOM 532 CA CYS A 67 13.370 -5.620 5.252 1.00 1.56 C ATOM 533 C CYS A 67 12.750 -4.259 5.681 1.00 1.55 C ATOM 534 O CYS A 67 11.518 -4.119 5.663 1.00 2.08 O ATOM 535 CB CYS A 67 14.000 -5.544 3.835 1.00 1.52 C ATOM 536 SG CYS A 67 15.537 -4.584 3.819 1.00 2.00 S ATOM 0 H CYS A 67 11.393 -6.179 5.178 1.00 1.35 H new ATOM 0 HA CYS A 67 14.165 -5.882 5.950 1.00 1.56 H new ATOM 0 HB2 CYS A 67 14.200 -6.553 3.474 1.00 1.52 H new ATOM 0 HB3 CYS A 67 13.286 -5.094 3.145 1.00 1.52 H new ATOM 0 HG CYS A 67 16.019 -4.556 2.612 1.00 2.00 H new ATOM 542 N GLY A 68 13.571 -3.252 6.013 1.00 1.62 N ATOM 543 CA GLY A 68 13.177 -1.954 6.603 1.00 1.76 C ATOM 544 C GLY A 68 11.873 -1.317 6.109 1.00 1.76 C ATOM 545 O GLY A 68 11.074 -0.829 6.914 1.00 3.47 O ATOM 0 H GLY A 68 14.579 -3.319 5.872 1.00 1.62 H new ATOM 0 HA2 GLY A 68 13.099 -2.085 7.682 1.00 1.76 H new ATOM 0 HA3 GLY A 68 13.986 -1.245 6.426 1.00 1.76 H new ATOM 549 N PHE A 69 11.640 -1.306 4.795 1.00 0.95 N ATOM 550 CA PHE A 69 10.526 -0.554 4.211 1.00 0.88 C ATOM 551 C PHE A 69 9.164 -1.213 4.413 1.00 0.71 C ATOM 552 O PHE A 69 8.164 -0.507 4.514 1.00 0.65 O ATOM 553 CB PHE A 69 10.802 -0.259 2.732 1.00 1.54 C ATOM 554 CG PHE A 69 11.629 0.994 2.527 1.00 0.72 C ATOM 555 CD1 PHE A 69 12.707 1.321 3.373 1.00 1.85 C ATOM 556 CD2 PHE A 69 11.186 1.936 1.590 1.00 1.62 C ATOM 557 CE1 PHE A 69 13.270 2.604 3.342 1.00 2.48 C ATOM 558 CE2 PHE A 69 11.718 3.231 1.571 1.00 1.76 C ATOM 559 CZ PHE A 69 12.767 3.572 2.450 1.00 1.94 C ATOM 0 H PHE A 69 12.208 -1.810 4.114 1.00 0.95 H new ATOM 0 HA PHE A 69 10.466 0.389 4.755 1.00 0.88 H new ATOM 0 HB2 PHE A 69 11.321 -1.108 2.288 1.00 1.54 H new ATOM 0 HB3 PHE A 69 9.854 -0.153 2.204 1.00 1.54 H new ATOM 0 HD1 PHE A 69 13.102 0.578 4.050 1.00 1.85 H new ATOM 0 HD2 PHE A 69 10.426 1.660 0.874 1.00 1.62 H new ATOM 0 HE1 PHE A 69 14.089 2.851 4.001 1.00 2.48 H new ATOM 0 HE2 PHE A 69 11.326 3.967 0.885 1.00 1.76 H new ATOM 0 HZ PHE A 69 13.182 4.569 2.439 1.00 1.94 H new ATOM 569 N SER A 70 9.103 -2.540 4.535 1.00 0.74 N ATOM 570 CA SER A 70 7.824 -3.236 4.750 1.00 0.64 C ATOM 571 C SER A 70 7.206 -2.972 6.118 1.00 0.54 C ATOM 572 O SER A 70 5.988 -2.881 6.232 1.00 0.59 O ATOM 573 CB SER A 70 7.957 -4.736 4.544 1.00 0.82 C ATOM 574 OG SER A 70 9.027 -5.286 5.285 1.00 1.78 O ATOM 0 H SER A 70 9.916 -3.155 4.490 1.00 0.74 H new ATOM 0 HA SER A 70 7.152 -2.820 3.999 1.00 0.64 H new ATOM 0 HB2 SER A 70 7.027 -5.224 4.835 1.00 0.82 H new ATOM 0 HB3 SER A 70 8.107 -4.943 3.484 1.00 0.82 H new ATOM 0 HG SER A 70 9.834 -4.748 5.143 1.00 1.78 H new ATOM 580 N ASN A 71 8.019 -2.778 7.155 1.00 0.58 N ATOM 581 CA ASN A 71 7.505 -2.369 8.459 1.00 0.61 C ATOM 582 C ASN A 71 7.129 -0.889 8.462 1.00 0.65 C ATOM 583 O ASN A 71 6.120 -0.531 9.055 1.00 0.69 O ATOM 584 CB ASN A 71 8.604 -2.646 9.493 1.00 0.78 C ATOM 585 CG ASN A 71 8.118 -2.611 10.933 1.00 1.59 C ATOM 586 OD1 ASN A 71 7.465 -3.527 11.417 1.00 2.67 O ATOM 587 ND2 ASN A 71 8.444 -1.583 11.672 1.00 2.25 N ATOM 0 H ASN A 71 9.031 -2.897 7.117 1.00 0.58 H new ATOM 0 HA ASN A 71 6.601 -2.928 8.698 1.00 0.61 H new ATOM 0 HB2 ASN A 71 9.041 -3.624 9.291 1.00 0.78 H new ATOM 0 HB3 ASN A 71 9.399 -1.910 9.370 1.00 0.78 H new ATOM 0 HD21 ASN A 71 8.155 -1.545 12.649 1.00 2.25 H new ATOM 0 HD22 ASN A 71 8.988 -0.819 11.271 1.00 2.25 H new ATOM 594 N ALA A 72 7.885 -0.043 7.757 1.00 0.70 N ATOM 595 CA ALA A 72 7.630 1.400 7.695 1.00 0.79 C ATOM 596 C ALA A 72 6.221 1.731 7.188 1.00 0.72 C ATOM 597 O ALA A 72 5.537 2.577 7.772 1.00 0.79 O ATOM 598 CB ALA A 72 8.712 2.070 6.843 1.00 0.88 C ATOM 0 H ALA A 72 8.694 -0.340 7.211 1.00 0.70 H new ATOM 0 HA ALA A 72 7.676 1.797 8.709 1.00 0.79 H new ATOM 0 HB1 ALA A 72 8.525 3.143 6.795 1.00 0.88 H new ATOM 0 HB2 ALA A 72 9.690 1.892 7.291 1.00 0.88 H new ATOM 0 HB3 ALA A 72 8.692 1.653 5.836 1.00 0.88 H new ATOM 604 N VAL A 73 5.752 1.016 6.163 1.00 0.63 N ATOM 605 CA VAL A 73 4.415 1.147 5.617 1.00 0.60 C ATOM 606 C VAL A 73 3.333 0.513 6.491 1.00 0.58 C ATOM 607 O VAL A 73 2.265 1.097 6.674 1.00 0.58 O ATOM 608 CB VAL A 73 4.405 0.582 4.189 1.00 0.63 C ATOM 609 CG1 VAL A 73 5.271 1.434 3.254 1.00 0.69 C ATOM 610 CG2 VAL A 73 4.879 -0.851 4.058 1.00 0.61 C ATOM 0 H VAL A 73 6.313 0.313 5.682 1.00 0.63 H new ATOM 0 HA VAL A 73 4.163 2.207 5.595 1.00 0.60 H new ATOM 0 HB VAL A 73 3.351 0.608 3.911 1.00 0.63 H new ATOM 0 HG11 VAL A 73 5.246 1.012 2.249 1.00 0.69 H new ATOM 0 HG12 VAL A 73 4.885 2.453 3.229 1.00 0.69 H new ATOM 0 HG13 VAL A 73 6.298 1.444 3.618 1.00 0.69 H new ATOM 0 HG21 VAL A 73 4.834 -1.155 3.012 1.00 0.61 H new ATOM 0 HG22 VAL A 73 5.906 -0.929 4.414 1.00 0.61 H new ATOM 0 HG23 VAL A 73 4.238 -1.502 4.653 1.00 0.61 H new ATOM 620 N VAL A 74 3.616 -0.652 7.081 1.00 0.59 N ATOM 621 CA VAL A 74 2.656 -1.405 7.905 1.00 0.58 C ATOM 622 C VAL A 74 2.432 -0.737 9.260 1.00 0.55 C ATOM 623 O VAL A 74 1.299 -0.695 9.737 1.00 0.56 O ATOM 624 CB VAL A 74 3.089 -2.875 8.016 1.00 0.60 C ATOM 625 CG1 VAL A 74 2.229 -3.708 8.973 1.00 0.62 C ATOM 626 CG2 VAL A 74 2.993 -3.516 6.625 1.00 0.71 C ATOM 0 H VAL A 74 4.526 -1.106 7.001 1.00 0.59 H new ATOM 0 HA VAL A 74 1.684 -1.395 7.411 1.00 0.58 H new ATOM 0 HB VAL A 74 4.104 -2.870 8.413 1.00 0.60 H new ATOM 0 HG11 VAL A 74 2.599 -4.733 8.996 1.00 0.62 H new ATOM 0 HG12 VAL A 74 2.282 -3.281 9.975 1.00 0.62 H new ATOM 0 HG13 VAL A 74 1.194 -3.703 8.630 1.00 0.62 H new ATOM 0 HG21 VAL A 74 3.297 -4.561 6.684 1.00 0.71 H new ATOM 0 HG22 VAL A 74 1.965 -3.457 6.267 1.00 0.71 H new ATOM 0 HG23 VAL A 74 3.649 -2.986 5.934 1.00 0.71 H new ATOM 636 N GLN A 75 3.473 -0.122 9.826 1.00 0.53 N ATOM 637 CA GLN A 75 3.388 0.773 10.979 1.00 0.53 C ATOM 638 C GLN A 75 2.453 1.950 10.696 1.00 0.49 C ATOM 639 O GLN A 75 1.525 2.173 11.465 1.00 0.49 O ATOM 640 CB GLN A 75 4.791 1.269 11.366 1.00 0.62 C ATOM 641 CG GLN A 75 5.577 0.205 12.153 1.00 0.61 C ATOM 642 CD GLN A 75 5.046 0.006 13.569 1.00 1.02 C ATOM 643 OE1 GLN A 75 4.656 0.948 14.250 1.00 2.18 O ATOM 644 NE2 GLN A 75 4.976 -1.209 14.067 1.00 0.80 N ATOM 0 H GLN A 75 4.427 -0.238 9.483 1.00 0.53 H new ATOM 0 HA GLN A 75 2.971 0.216 11.818 1.00 0.53 H new ATOM 0 HB2 GLN A 75 5.343 1.536 10.465 1.00 0.62 H new ATOM 0 HB3 GLN A 75 4.704 2.174 11.967 1.00 0.62 H new ATOM 0 HG2 GLN A 75 5.533 -0.743 11.617 1.00 0.61 H new ATOM 0 HG3 GLN A 75 6.626 0.496 12.201 1.00 0.61 H new ATOM 0 HE21 GLN A 75 5.296 -2.005 13.516 1.00 0.80 H new ATOM 0 HE22 GLN A 75 4.602 -1.355 15.005 1.00 0.80 H new ATOM 653 N ILE A 76 2.617 2.669 9.580 1.00 0.46 N ATOM 654 CA ILE A 76 1.755 3.832 9.297 1.00 0.43 C ATOM 655 C ILE A 76 0.286 3.409 9.163 1.00 0.43 C ATOM 656 O ILE A 76 -0.595 4.060 9.722 1.00 0.43 O ATOM 657 CB ILE A 76 2.281 4.601 8.063 1.00 0.43 C ATOM 658 CG1 ILE A 76 3.584 5.331 8.453 1.00 0.46 C ATOM 659 CG2 ILE A 76 1.250 5.609 7.515 1.00 0.43 C ATOM 660 CD1 ILE A 76 4.355 5.881 7.251 1.00 0.47 C ATOM 0 H ILE A 76 3.322 2.476 8.869 1.00 0.46 H new ATOM 0 HA ILE A 76 1.795 4.521 10.140 1.00 0.43 H new ATOM 0 HB ILE A 76 2.469 3.881 7.267 1.00 0.43 H new ATOM 0 HG12 ILE A 76 3.344 6.152 9.128 1.00 0.46 H new ATOM 0 HG13 ILE A 76 4.226 4.644 9.004 1.00 0.46 H new ATOM 0 HG21 ILE A 76 1.668 6.123 6.649 1.00 0.43 H new ATOM 0 HG22 ILE A 76 0.344 5.079 7.220 1.00 0.43 H new ATOM 0 HG23 ILE A 76 1.008 6.339 8.288 1.00 0.43 H new ATOM 0 HD11 ILE A 76 5.259 6.382 7.597 1.00 0.47 H new ATOM 0 HD12 ILE A 76 4.626 5.061 6.586 1.00 0.47 H new ATOM 0 HD13 ILE A 76 3.730 6.593 6.712 1.00 0.47 H new ATOM 672 N LEU A 77 0.021 2.288 8.487 1.00 0.44 N ATOM 673 CA LEU A 77 -1.330 1.732 8.350 1.00 0.47 C ATOM 674 C LEU A 77 -1.956 1.356 9.705 1.00 0.48 C ATOM 675 O LEU A 77 -2.990 1.919 10.073 1.00 0.48 O ATOM 676 CB LEU A 77 -1.286 0.554 7.364 1.00 0.50 C ATOM 677 CG LEU A 77 -1.107 1.014 5.907 1.00 0.53 C ATOM 678 CD1 LEU A 77 -0.741 -0.173 5.023 1.00 0.54 C ATOM 679 CD2 LEU A 77 -2.399 1.630 5.361 1.00 0.59 C ATOM 0 H LEU A 77 0.740 1.737 8.017 1.00 0.44 H new ATOM 0 HA LEU A 77 -1.990 2.500 7.946 1.00 0.47 H new ATOM 0 HB2 LEU A 77 -0.467 -0.112 7.635 1.00 0.50 H new ATOM 0 HB3 LEU A 77 -2.207 -0.022 7.449 1.00 0.50 H new ATOM 0 HG LEU A 77 -0.312 1.760 5.895 1.00 0.53 H new ATOM 0 HD11 LEU A 77 -0.617 0.164 3.994 1.00 0.54 H new ATOM 0 HD12 LEU A 77 0.191 -0.615 5.375 1.00 0.54 H new ATOM 0 HD13 LEU A 77 -1.535 -0.918 5.067 1.00 0.54 H new ATOM 0 HD21 LEU A 77 -2.244 1.946 4.330 1.00 0.59 H new ATOM 0 HD22 LEU A 77 -3.199 0.890 5.397 1.00 0.59 H new ATOM 0 HD23 LEU A 77 -2.675 2.493 5.967 1.00 0.59 H new ATOM 691 N ARG A 78 -1.320 0.474 10.486 1.00 0.51 N ATOM 692 CA ARG A 78 -1.812 0.026 11.786 1.00 0.56 C ATOM 693 C ARG A 78 -1.931 1.125 12.856 1.00 0.54 C ATOM 694 O ARG A 78 -2.818 1.044 13.709 1.00 0.59 O ATOM 695 CB ARG A 78 -0.922 -1.146 12.213 1.00 0.68 C ATOM 696 CG ARG A 78 0.401 -0.746 12.890 1.00 0.79 C ATOM 697 CD ARG A 78 1.337 -1.944 13.113 1.00 1.14 C ATOM 698 NE ARG A 78 0.682 -3.052 13.829 1.00 1.59 N ATOM 699 CZ ARG A 78 0.443 -3.151 15.123 1.00 2.15 C ATOM 700 NH1 ARG A 78 0.863 -2.271 15.984 1.00 2.93 N ATOM 701 NH2 ARG A 78 -0.248 -4.155 15.568 1.00 3.21 N ATOM 0 H ARG A 78 -0.432 0.046 10.223 1.00 0.51 H new ATOM 0 HA ARG A 78 -2.850 -0.290 11.682 1.00 0.56 H new ATOM 0 HB2 ARG A 78 -1.486 -1.780 12.898 1.00 0.68 H new ATOM 0 HB3 ARG A 78 -0.695 -1.749 11.334 1.00 0.68 H new ATOM 0 HG2 ARG A 78 0.909 -0.002 12.276 1.00 0.79 H new ATOM 0 HG3 ARG A 78 0.186 -0.274 13.849 1.00 0.79 H new ATOM 0 HD2 ARG A 78 1.697 -2.303 12.149 1.00 1.14 H new ATOM 0 HD3 ARG A 78 2.210 -1.617 13.678 1.00 1.14 H new ATOM 0 HE ARG A 78 0.376 -3.838 13.255 1.00 1.59 H new ATOM 0 HH11 ARG A 78 1.401 -1.464 15.667 1.00 2.93 H new ATOM 0 HH12 ARG A 78 0.655 -2.388 16.976 1.00 2.93 H new ATOM 0 HH21 ARG A 78 -0.601 -4.859 14.919 1.00 3.21 H new ATOM 0 HH22 ARG A 78 -0.438 -4.241 16.566 1.00 3.21 H new ATOM 715 N LEU A 79 -1.104 2.177 12.792 1.00 0.49 N ATOM 716 CA LEU A 79 -1.230 3.391 13.605 1.00 0.48 C ATOM 717 C LEU A 79 -2.490 4.183 13.243 1.00 0.47 C ATOM 718 O LEU A 79 -3.201 4.657 14.129 1.00 0.50 O ATOM 719 CB LEU A 79 0.003 4.275 13.362 1.00 0.45 C ATOM 720 CG LEU A 79 1.298 3.796 14.037 1.00 0.46 C ATOM 721 CD1 LEU A 79 2.461 4.626 13.487 1.00 0.45 C ATOM 722 CD2 LEU A 79 1.252 3.982 15.553 1.00 0.51 C ATOM 0 H LEU A 79 -0.308 2.206 12.155 1.00 0.49 H new ATOM 0 HA LEU A 79 -1.303 3.099 14.653 1.00 0.48 H new ATOM 0 HB2 LEU A 79 0.176 4.342 12.288 1.00 0.45 H new ATOM 0 HB3 LEU A 79 -0.218 5.283 13.712 1.00 0.45 H new ATOM 0 HG LEU A 79 1.421 2.734 13.826 1.00 0.46 H new ATOM 0 HD11 LEU A 79 3.392 4.302 13.953 1.00 0.45 H new ATOM 0 HD12 LEU A 79 2.528 4.488 12.408 1.00 0.45 H new ATOM 0 HD13 LEU A 79 2.292 5.680 13.708 1.00 0.45 H new ATOM 0 HD21 LEU A 79 2.186 3.631 15.991 1.00 0.51 H new ATOM 0 HD22 LEU A 79 1.116 5.038 15.786 1.00 0.51 H new ATOM 0 HD23 LEU A 79 0.421 3.410 15.965 1.00 0.51 H new ATOM 734 N HIS A 80 -2.803 4.274 11.949 1.00 0.46 N ATOM 735 CA HIS A 80 -4.052 4.844 11.450 1.00 0.46 C ATOM 736 C HIS A 80 -5.279 3.936 11.668 1.00 0.48 C ATOM 737 O HIS A 80 -6.385 4.336 11.315 1.00 0.51 O ATOM 738 CB HIS A 80 -3.866 5.245 9.975 1.00 0.45 C ATOM 739 CG HIS A 80 -3.267 6.620 9.818 1.00 0.43 C ATOM 740 ND1 HIS A 80 -3.920 7.783 10.116 1.00 0.43 N ATOM 741 CD2 HIS A 80 -2.015 6.975 9.390 1.00 0.43 C ATOM 742 CE1 HIS A 80 -3.111 8.817 9.881 1.00 0.42 C ATOM 743 NE2 HIS A 80 -1.928 8.380 9.405 1.00 0.42 N ATOM 0 H HIS A 80 -2.184 3.947 11.207 1.00 0.46 H new ATOM 0 HA HIS A 80 -4.275 5.734 12.038 1.00 0.46 H new ATOM 0 HB2 HIS A 80 -3.224 4.515 9.482 1.00 0.45 H new ATOM 0 HB3 HIS A 80 -4.831 5.213 9.469 1.00 0.45 H new ATOM 0 HD2 HIS A 80 -1.231 6.295 9.093 1.00 0.43 H new ATOM 0 HE1 HIS A 80 -3.366 9.853 10.048 1.00 0.42 H new ATOM 0 HE2 HIS A 80 -1.133 8.950 9.115 1.00 0.42 H new ATOM 751 N GLY A 81 -5.131 2.756 12.281 1.00 0.50 N ATOM 752 CA GLY A 81 -6.235 1.821 12.536 1.00 0.57 C ATOM 753 C GLY A 81 -6.454 0.778 11.432 1.00 0.61 C ATOM 754 O GLY A 81 -7.359 -0.051 11.544 1.00 0.72 O ATOM 0 H GLY A 81 -4.230 2.418 12.619 1.00 0.50 H new ATOM 0 HA2 GLY A 81 -6.045 1.302 13.476 1.00 0.57 H new ATOM 0 HA3 GLY A 81 -7.155 2.391 12.667 1.00 0.57 H new ATOM 758 N VAL A 82 -5.634 0.779 10.380 1.00 0.58 N ATOM 759 CA VAL A 82 -5.827 -0.033 9.171 1.00 0.60 C ATOM 760 C VAL A 82 -4.981 -1.304 9.224 1.00 0.55 C ATOM 761 O VAL A 82 -3.753 -1.240 9.170 1.00 0.62 O ATOM 762 CB VAL A 82 -5.529 0.804 7.910 1.00 0.62 C ATOM 763 CG1 VAL A 82 -5.845 0.023 6.631 1.00 0.70 C ATOM 764 CG2 VAL A 82 -6.354 2.101 7.874 1.00 0.67 C ATOM 0 H VAL A 82 -4.795 1.358 10.341 1.00 0.58 H new ATOM 0 HA VAL A 82 -6.870 -0.346 9.123 1.00 0.60 H new ATOM 0 HB VAL A 82 -4.466 1.041 7.957 1.00 0.62 H new ATOM 0 HG11 VAL A 82 -5.623 0.643 5.762 1.00 0.70 H new ATOM 0 HG12 VAL A 82 -5.237 -0.881 6.597 1.00 0.70 H new ATOM 0 HG13 VAL A 82 -6.900 -0.250 6.623 1.00 0.70 H new ATOM 0 HG21 VAL A 82 -6.113 2.660 6.970 1.00 0.67 H new ATOM 0 HG22 VAL A 82 -7.416 1.857 7.878 1.00 0.67 H new ATOM 0 HG23 VAL A 82 -6.118 2.707 8.749 1.00 0.67 H new ATOM 774 N ARG A 83 -5.636 -2.472 9.267 1.00 0.47 N ATOM 775 CA ARG A 83 -5.018 -3.801 9.177 1.00 0.55 C ATOM 776 C ARG A 83 -5.693 -4.689 8.131 1.00 0.54 C ATOM 777 O ARG A 83 -5.292 -5.808 7.825 1.00 0.66 O ATOM 778 CB ARG A 83 -4.968 -4.432 10.550 1.00 0.71 C ATOM 779 CG ARG A 83 -6.315 -4.792 11.171 1.00 0.92 C ATOM 780 CD ARG A 83 -5.972 -5.516 12.469 1.00 1.97 C ATOM 781 NE ARG A 83 -7.172 -6.013 13.169 1.00 2.26 N ATOM 782 CZ ARG A 83 -7.313 -7.180 13.775 1.00 3.74 C ATOM 783 NH1 ARG A 83 -6.380 -8.083 13.810 1.00 5.45 N ATOM 784 NH2 ARG A 83 -8.420 -7.489 14.380 1.00 4.04 N ATOM 0 H ARG A 83 -6.650 -2.518 9.369 1.00 0.47 H new ATOM 0 HA ARG A 83 -3.993 -3.686 8.824 1.00 0.55 H new ATOM 0 HB2 ARG A 83 -4.364 -5.338 10.490 1.00 0.71 H new ATOM 0 HB3 ARG A 83 -4.451 -3.748 11.224 1.00 0.71 H new ATOM 0 HG2 ARG A 83 -6.912 -3.900 11.363 1.00 0.92 H new ATOM 0 HG3 ARG A 83 -6.898 -5.429 10.506 1.00 0.92 H new ATOM 0 HD2 ARG A 83 -5.309 -6.353 12.251 1.00 1.97 H new ATOM 0 HD3 ARG A 83 -5.425 -4.839 13.126 1.00 1.97 H new ATOM 0 HE ARG A 83 -7.979 -5.390 13.188 1.00 2.26 H new ATOM 0 HH11 ARG A 83 -5.484 -7.908 13.355 1.00 5.45 H new ATOM 0 HH12 ARG A 83 -6.543 -8.967 14.292 1.00 5.45 H new ATOM 0 HH21 ARG A 83 -9.196 -6.827 14.392 1.00 4.04 H new ATOM 0 HH22 ARG A 83 -8.513 -8.393 14.843 1.00 4.04 H new ATOM 798 N ASP A 84 -6.754 -4.129 7.577 1.00 0.55 N ATOM 799 CA ASP A 84 -7.752 -4.690 6.707 1.00 0.57 C ATOM 800 C ASP A 84 -7.432 -4.453 5.223 1.00 0.50 C ATOM 801 O ASP A 84 -8.320 -4.493 4.368 1.00 0.57 O ATOM 802 CB ASP A 84 -9.069 -4.085 7.202 1.00 0.87 C ATOM 803 CG ASP A 84 -9.132 -2.561 7.093 1.00 2.77 C ATOM 804 OD1 ASP A 84 -8.457 -1.887 7.910 1.00 4.17 O ATOM 805 OD2 ASP A 84 -9.877 -2.058 6.219 1.00 3.72 O ATOM 0 H ASP A 84 -6.953 -3.145 7.755 1.00 0.55 H new ATOM 0 HA ASP A 84 -7.801 -5.778 6.751 1.00 0.57 H new ATOM 0 HB2 ASP A 84 -9.892 -4.514 6.631 1.00 0.87 H new ATOM 0 HB3 ASP A 84 -9.220 -4.371 8.243 1.00 0.87 H new ATOM 810 N TYR A 85 -6.142 -4.265 4.914 1.00 0.44 N ATOM 811 CA TYR A 85 -5.605 -4.362 3.567 1.00 0.43 C ATOM 812 C TYR A 85 -5.596 -5.821 3.090 1.00 0.46 C ATOM 813 O TYR A 85 -5.660 -6.759 3.892 1.00 0.51 O ATOM 814 CB TYR A 85 -4.151 -3.804 3.516 1.00 0.45 C ATOM 815 CG TYR A 85 -3.284 -4.231 4.684 1.00 0.45 C ATOM 816 CD1 TYR A 85 -2.888 -5.573 4.724 1.00 2.01 C ATOM 817 CD2 TYR A 85 -2.989 -3.370 5.766 1.00 1.80 C ATOM 818 CE1 TYR A 85 -2.328 -6.106 5.901 1.00 1.99 C ATOM 819 CE2 TYR A 85 -2.329 -3.878 6.901 1.00 1.83 C ATOM 820 CZ TYR A 85 -2.049 -5.257 6.999 1.00 0.51 C ATOM 821 OH TYR A 85 -1.550 -5.752 8.164 1.00 0.61 O ATOM 0 H TYR A 85 -5.436 -4.037 5.614 1.00 0.44 H new ATOM 0 HA TYR A 85 -6.245 -3.771 2.911 1.00 0.43 H new ATOM 0 HB2 TYR A 85 -3.680 -4.131 2.589 1.00 0.45 H new ATOM 0 HB3 TYR A 85 -4.192 -2.715 3.486 1.00 0.45 H new ATOM 0 HD1 TYR A 85 -3.012 -6.199 3.853 1.00 2.01 H new ATOM 0 HD2 TYR A 85 -3.269 -2.328 5.722 1.00 1.80 H new ATOM 0 HE1 TYR A 85 -2.111 -7.162 5.966 1.00 1.99 H new ATOM 0 HE2 TYR A 85 -2.037 -3.211 7.698 1.00 1.83 H new ATOM 0 HH TYR A 85 -1.421 -5.019 8.802 1.00 0.61 H new ATOM 831 N ALA A 86 -5.384 -5.995 1.786 1.00 0.45 N ATOM 832 CA ALA A 86 -4.817 -7.224 1.245 1.00 0.43 C ATOM 833 C ALA A 86 -3.329 -6.969 0.977 1.00 0.41 C ATOM 834 O ALA A 86 -2.989 -6.084 0.189 1.00 0.40 O ATOM 835 CB ALA A 86 -5.623 -7.635 0.009 1.00 0.45 C ATOM 0 H ALA A 86 -5.600 -5.291 1.080 1.00 0.45 H new ATOM 0 HA ALA A 86 -4.880 -8.064 1.937 1.00 0.43 H new ATOM 0 HB1 ALA A 86 -5.209 -8.554 -0.406 1.00 0.45 H new ATOM 0 HB2 ALA A 86 -6.663 -7.800 0.291 1.00 0.45 H new ATOM 0 HB3 ALA A 86 -5.571 -6.844 -0.739 1.00 0.45 H new ATOM 841 N ALA A 87 -2.436 -7.670 1.686 1.00 0.42 N ATOM 842 CA ALA A 87 -0.996 -7.480 1.547 1.00 0.41 C ATOM 843 C ALA A 87 -0.446 -8.475 0.496 1.00 0.42 C ATOM 844 O ALA A 87 -0.357 -9.684 0.747 1.00 0.54 O ATOM 845 CB ALA A 87 -0.297 -7.694 2.901 1.00 0.45 C ATOM 0 H ALA A 87 -2.695 -8.382 2.369 1.00 0.42 H new ATOM 0 HA ALA A 87 -0.798 -6.461 1.216 1.00 0.41 H new ATOM 0 HB1 ALA A 87 0.777 -7.549 2.783 1.00 0.45 H new ATOM 0 HB2 ALA A 87 -0.682 -6.978 3.627 1.00 0.45 H new ATOM 0 HB3 ALA A 87 -0.490 -8.707 3.254 1.00 0.45 H new ATOM 851 N TYR A 88 -0.072 -7.978 -0.677 1.00 0.33 N ATOM 852 CA TYR A 88 0.580 -8.705 -1.760 1.00 0.31 C ATOM 853 C TYR A 88 2.082 -8.840 -1.533 1.00 0.27 C ATOM 854 O TYR A 88 2.832 -7.860 -1.617 1.00 0.27 O ATOM 855 CB TYR A 88 0.328 -7.981 -3.086 1.00 0.33 C ATOM 856 CG TYR A 88 -1.102 -8.037 -3.564 1.00 0.46 C ATOM 857 CD1 TYR A 88 -1.540 -9.178 -4.257 1.00 1.78 C ATOM 858 CD2 TYR A 88 -1.964 -6.940 -3.374 1.00 1.90 C ATOM 859 CE1 TYR A 88 -2.839 -9.217 -4.784 1.00 1.79 C ATOM 860 CE2 TYR A 88 -3.253 -6.954 -3.945 1.00 2.09 C ATOM 861 CZ TYR A 88 -3.694 -8.104 -4.644 1.00 1.01 C ATOM 862 OH TYR A 88 -4.907 -8.127 -5.246 1.00 1.40 O ATOM 0 H TYR A 88 -0.225 -6.997 -0.912 1.00 0.33 H new ATOM 0 HA TYR A 88 0.156 -9.709 -1.789 1.00 0.31 H new ATOM 0 HB2 TYR A 88 0.622 -6.937 -2.978 1.00 0.33 H new ATOM 0 HB3 TYR A 88 0.971 -8.415 -3.851 1.00 0.33 H new ATOM 0 HD1 TYR A 88 -0.878 -10.022 -4.383 1.00 1.78 H new ATOM 0 HD2 TYR A 88 -1.639 -6.090 -2.792 1.00 1.90 H new ATOM 0 HE1 TYR A 88 -3.185 -10.101 -5.298 1.00 1.79 H new ATOM 0 HE2 TYR A 88 -3.899 -6.094 -3.850 1.00 2.09 H new ATOM 0 HH TYR A 88 -5.040 -7.294 -5.745 1.00 1.40 H new ATOM 872 N ASN A 89 2.518 -10.082 -1.323 1.00 0.32 N ATOM 873 CA ASN A 89 3.902 -10.460 -1.277 1.00 0.37 C ATOM 874 C ASN A 89 4.494 -10.646 -2.689 1.00 0.41 C ATOM 875 O ASN A 89 4.283 -11.677 -3.339 1.00 0.52 O ATOM 876 CB ASN A 89 3.936 -11.722 -0.417 1.00 0.50 C ATOM 877 CG ASN A 89 5.343 -12.073 -0.037 1.00 1.06 C ATOM 878 OD1 ASN A 89 6.280 -11.972 -0.812 1.00 1.98 O ATOM 879 ND2 ASN A 89 5.523 -12.527 1.168 1.00 1.21 N ATOM 0 H ASN A 89 1.884 -10.868 -1.177 1.00 0.32 H new ATOM 0 HA ASN A 89 4.534 -9.686 -0.842 1.00 0.37 H new ATOM 0 HB2 ASN A 89 3.339 -11.570 0.482 1.00 0.50 H new ATOM 0 HB3 ASN A 89 3.485 -12.551 -0.963 1.00 0.50 H new ATOM 0 HD21 ASN A 89 6.456 -12.803 1.475 1.00 1.21 H new ATOM 0 HD22 ASN A 89 4.732 -12.607 1.806 1.00 1.21 H new ATOM 886 N VAL A 90 5.251 -9.655 -3.170 1.00 0.40 N ATOM 887 CA VAL A 90 5.825 -9.642 -4.534 1.00 0.50 C ATOM 888 C VAL A 90 7.189 -10.350 -4.666 1.00 0.73 C ATOM 889 O VAL A 90 7.865 -10.215 -5.684 1.00 1.11 O ATOM 890 CB VAL A 90 5.801 -8.233 -5.164 1.00 0.48 C ATOM 891 CG1 VAL A 90 4.405 -7.599 -5.054 1.00 0.50 C ATOM 892 CG2 VAL A 90 6.805 -7.276 -4.522 1.00 0.64 C ATOM 0 H VAL A 90 5.489 -8.827 -2.624 1.00 0.40 H new ATOM 0 HA VAL A 90 5.155 -10.262 -5.130 1.00 0.50 H new ATOM 0 HB VAL A 90 6.075 -8.379 -6.209 1.00 0.48 H new ATOM 0 HG11 VAL A 90 4.419 -6.607 -5.506 1.00 0.50 H new ATOM 0 HG12 VAL A 90 3.679 -8.225 -5.574 1.00 0.50 H new ATOM 0 HG13 VAL A 90 4.125 -7.515 -4.004 1.00 0.50 H new ATOM 0 HG21 VAL A 90 6.741 -6.302 -5.007 1.00 0.64 H new ATOM 0 HG22 VAL A 90 6.578 -7.169 -3.461 1.00 0.64 H new ATOM 0 HG23 VAL A 90 7.813 -7.674 -4.639 1.00 0.64 H new ATOM 902 N LEU A 91 7.602 -11.128 -3.656 1.00 0.63 N ATOM 903 CA LEU A 91 8.704 -12.104 -3.778 1.00 0.78 C ATOM 904 C LEU A 91 8.261 -13.372 -4.521 1.00 0.80 C ATOM 905 O LEU A 91 9.069 -14.016 -5.189 1.00 0.97 O ATOM 906 CB LEU A 91 9.211 -12.529 -2.383 1.00 0.82 C ATOM 907 CG LEU A 91 9.977 -11.466 -1.596 1.00 1.01 C ATOM 908 CD1 LEU A 91 10.135 -11.887 -0.129 1.00 1.07 C ATOM 909 CD2 LEU A 91 11.366 -11.214 -2.186 1.00 1.53 C ATOM 0 H LEU A 91 7.183 -11.101 -2.727 1.00 0.63 H new ATOM 0 HA LEU A 91 9.496 -11.610 -4.341 1.00 0.78 H new ATOM 0 HB2 LEU A 91 8.354 -12.846 -1.788 1.00 0.82 H new ATOM 0 HB3 LEU A 91 9.856 -13.399 -2.502 1.00 0.82 H new ATOM 0 HG LEU A 91 9.395 -10.547 -1.659 1.00 1.01 H new ATOM 0 HD11 LEU A 91 10.683 -11.117 0.414 1.00 1.07 H new ATOM 0 HD12 LEU A 91 9.150 -12.017 0.320 1.00 1.07 H new ATOM 0 HD13 LEU A 91 10.684 -12.827 -0.077 1.00 1.07 H new ATOM 0 HD21 LEU A 91 11.878 -10.452 -1.598 1.00 1.53 H new ATOM 0 HD22 LEU A 91 11.944 -12.138 -2.164 1.00 1.53 H new ATOM 0 HD23 LEU A 91 11.267 -10.872 -3.216 1.00 1.53 H new ATOM 921 N ASP A 92 6.998 -13.767 -4.369 1.00 0.74 N ATOM 922 CA ASP A 92 6.499 -15.074 -4.831 1.00 0.92 C ATOM 923 C ASP A 92 6.292 -15.154 -6.350 1.00 0.98 C ATOM 924 O ASP A 92 6.689 -16.123 -7.000 1.00 1.31 O ATOM 925 CB ASP A 92 5.190 -15.382 -4.117 1.00 1.03 C ATOM 926 CG ASP A 92 4.754 -16.848 -4.236 1.00 1.42 C ATOM 927 OD1 ASP A 92 5.592 -17.771 -4.109 1.00 2.48 O ATOM 928 OD2 ASP A 92 3.542 -17.080 -4.464 1.00 1.87 O ATOM 0 H ASP A 92 6.284 -13.192 -3.921 1.00 0.74 H new ATOM 0 HA ASP A 92 7.264 -15.812 -4.590 1.00 0.92 H new ATOM 0 HB2 ASP A 92 5.293 -15.127 -3.062 1.00 1.03 H new ATOM 0 HB3 ASP A 92 4.405 -14.744 -4.524 1.00 1.03 H new ATOM 933 N ASP A 93 5.649 -14.134 -6.915 1.00 0.71 N ATOM 934 CA ASP A 93 5.332 -14.046 -8.341 1.00 0.79 C ATOM 935 C ASP A 93 6.162 -12.963 -9.055 1.00 0.78 C ATOM 936 O ASP A 93 5.974 -11.771 -8.780 1.00 0.68 O ATOM 937 CB ASP A 93 3.835 -13.766 -8.527 1.00 0.85 C ATOM 938 CG ASP A 93 2.997 -15.041 -8.607 1.00 1.17 C ATOM 939 OD1 ASP A 93 3.212 -15.851 -9.538 1.00 2.62 O ATOM 940 OD2 ASP A 93 2.093 -15.227 -7.760 1.00 1.61 O ATOM 0 H ASP A 93 5.326 -13.326 -6.382 1.00 0.71 H new ATOM 0 HA ASP A 93 5.588 -15.004 -8.793 1.00 0.79 H new ATOM 0 HB2 ASP A 93 3.479 -13.155 -7.698 1.00 0.85 H new ATOM 0 HB3 ASP A 93 3.690 -13.184 -9.437 1.00 0.85 H new ATOM 945 N PRO A 94 6.995 -13.323 -10.052 1.00 0.91 N ATOM 946 CA PRO A 94 7.671 -12.328 -10.882 1.00 0.94 C ATOM 947 C PRO A 94 6.674 -11.545 -11.753 1.00 0.81 C ATOM 948 O PRO A 94 6.945 -10.418 -12.148 1.00 0.80 O ATOM 949 CB PRO A 94 8.668 -13.122 -11.715 1.00 1.18 C ATOM 950 CG PRO A 94 7.969 -14.459 -11.906 1.00 1.23 C ATOM 951 CD PRO A 94 7.267 -14.663 -10.563 1.00 1.08 C ATOM 0 HA PRO A 94 8.172 -11.567 -10.283 1.00 0.94 H new ATOM 0 HB2 PRO A 94 8.875 -12.635 -12.668 1.00 1.18 H new ATOM 0 HB3 PRO A 94 9.623 -13.236 -11.201 1.00 1.18 H new ATOM 0 HG2 PRO A 94 7.260 -14.431 -12.734 1.00 1.23 H new ATOM 0 HG3 PRO A 94 8.677 -15.260 -12.119 1.00 1.23 H new ATOM 0 HD2 PRO A 94 6.344 -15.230 -10.686 1.00 1.08 H new ATOM 0 HD3 PRO A 94 7.897 -15.225 -9.873 1.00 1.08 H new ATOM 959 N GLU A 95 5.485 -12.104 -11.986 1.00 0.77 N ATOM 960 CA GLU A 95 4.339 -11.458 -12.599 1.00 0.69 C ATOM 961 C GLU A 95 3.837 -10.254 -11.793 1.00 0.60 C ATOM 962 O GLU A 95 3.695 -9.158 -12.336 1.00 0.62 O ATOM 963 CB GLU A 95 3.242 -12.511 -12.713 1.00 0.75 C ATOM 964 CG GLU A 95 3.670 -13.814 -13.402 1.00 0.89 C ATOM 965 CD GLU A 95 4.476 -13.607 -14.690 1.00 2.17 C ATOM 966 OE1 GLU A 95 4.052 -12.815 -15.563 1.00 3.02 O ATOM 967 OE2 GLU A 95 5.528 -14.274 -14.857 1.00 3.36 O ATOM 0 H GLU A 95 5.293 -13.074 -11.735 1.00 0.77 H new ATOM 0 HA GLU A 95 4.626 -11.066 -13.575 1.00 0.69 H new ATOM 0 HB2 GLU A 95 2.879 -12.748 -11.713 1.00 0.75 H new ATOM 0 HB3 GLU A 95 2.404 -12.084 -13.263 1.00 0.75 H new ATOM 0 HG2 GLU A 95 4.266 -14.402 -12.704 1.00 0.89 H new ATOM 0 HG3 GLU A 95 2.780 -14.399 -13.633 1.00 0.89 H new ATOM 974 N LEU A 96 3.660 -10.439 -10.476 1.00 0.52 N ATOM 975 CA LEU A 96 3.380 -9.342 -9.544 1.00 0.47 C ATOM 976 C LEU A 96 4.551 -8.350 -9.547 1.00 0.46 C ATOM 977 O LEU A 96 4.334 -7.144 -9.595 1.00 0.46 O ATOM 978 CB LEU A 96 3.164 -9.839 -8.095 1.00 0.52 C ATOM 979 CG LEU A 96 1.861 -10.581 -7.739 1.00 0.53 C ATOM 980 CD1 LEU A 96 1.928 -11.023 -6.269 1.00 0.70 C ATOM 981 CD2 LEU A 96 0.617 -9.700 -7.885 1.00 0.61 C ATOM 0 H LEU A 96 3.707 -11.355 -10.029 1.00 0.52 H new ATOM 0 HA LEU A 96 2.460 -8.864 -9.882 1.00 0.47 H new ATOM 0 HB2 LEU A 96 3.995 -10.499 -7.848 1.00 0.52 H new ATOM 0 HB3 LEU A 96 3.238 -8.973 -7.437 1.00 0.52 H new ATOM 0 HG LEU A 96 1.777 -11.422 -8.428 1.00 0.53 H new ATOM 0 HD11 LEU A 96 1.011 -11.550 -6.005 1.00 0.70 H new ATOM 0 HD12 LEU A 96 2.781 -11.687 -6.127 1.00 0.70 H new ATOM 0 HD13 LEU A 96 2.040 -10.147 -5.630 1.00 0.70 H new ATOM 0 HD21 LEU A 96 -0.270 -10.276 -7.621 1.00 0.61 H new ATOM 0 HD22 LEU A 96 0.701 -8.839 -7.222 1.00 0.61 H new ATOM 0 HD23 LEU A 96 0.533 -9.357 -8.916 1.00 0.61 H new ATOM 993 N ARG A 97 5.793 -8.856 -9.516 1.00 0.51 N ATOM 994 CA ARG A 97 7.031 -8.055 -9.438 1.00 0.56 C ATOM 995 C ARG A 97 7.174 -7.094 -10.626 1.00 0.60 C ATOM 996 O ARG A 97 7.246 -5.881 -10.440 1.00 0.60 O ATOM 997 CB ARG A 97 8.218 -9.029 -9.310 1.00 0.65 C ATOM 998 CG ARG A 97 9.527 -8.401 -8.826 1.00 0.75 C ATOM 999 CD ARG A 97 10.625 -9.475 -8.720 1.00 0.91 C ATOM 1000 NE ARG A 97 11.135 -9.878 -10.045 1.00 1.88 N ATOM 1001 CZ ARG A 97 11.468 -11.092 -10.448 1.00 2.48 C ATOM 1002 NH1 ARG A 97 11.444 -12.135 -9.671 1.00 1.97 N ATOM 1003 NH2 ARG A 97 11.821 -11.292 -11.685 1.00 3.85 N ATOM 0 H ARG A 97 5.972 -9.860 -9.545 1.00 0.51 H new ATOM 0 HA ARG A 97 7.001 -7.408 -8.561 1.00 0.56 H new ATOM 0 HB2 ARG A 97 7.940 -9.827 -8.621 1.00 0.65 H new ATOM 0 HB3 ARG A 97 8.393 -9.493 -10.281 1.00 0.65 H new ATOM 0 HG2 ARG A 97 9.840 -7.618 -9.516 1.00 0.75 H new ATOM 0 HG3 ARG A 97 9.375 -7.929 -7.855 1.00 0.75 H new ATOM 0 HD2 ARG A 97 11.448 -9.093 -8.116 1.00 0.91 H new ATOM 0 HD3 ARG A 97 10.228 -10.349 -8.203 1.00 0.91 H new ATOM 0 HE ARG A 97 11.243 -9.131 -10.731 1.00 1.88 H new ATOM 0 HH11 ARG A 97 11.157 -12.039 -8.697 1.00 1.97 H new ATOM 0 HH12 ARG A 97 11.712 -13.049 -10.036 1.00 1.97 H new ATOM 0 HH21 ARG A 97 11.840 -10.512 -12.342 1.00 3.85 H new ATOM 0 HH22 ARG A 97 12.078 -12.228 -11.997 1.00 3.85 H new ATOM 1017 N GLN A 98 7.143 -7.612 -11.852 1.00 0.67 N ATOM 1018 CA GLN A 98 7.194 -6.819 -13.085 1.00 0.72 C ATOM 1019 C GLN A 98 5.961 -5.945 -13.245 1.00 0.67 C ATOM 1020 O GLN A 98 6.069 -4.751 -13.536 1.00 0.74 O ATOM 1021 CB GLN A 98 7.315 -7.795 -14.268 1.00 0.77 C ATOM 1022 CG GLN A 98 7.389 -7.178 -15.680 1.00 1.17 C ATOM 1023 CD GLN A 98 8.607 -6.294 -15.935 1.00 2.82 C ATOM 1024 OE1 GLN A 98 9.757 -6.702 -15.825 1.00 3.61 O ATOM 1025 NE2 GLN A 98 8.419 -5.049 -16.302 1.00 4.13 N ATOM 0 H GLN A 98 7.080 -8.616 -12.023 1.00 0.67 H new ATOM 0 HA GLN A 98 8.052 -6.148 -13.047 1.00 0.72 H new ATOM 0 HB2 GLN A 98 8.207 -8.402 -14.116 1.00 0.77 H new ATOM 0 HB3 GLN A 98 6.461 -8.471 -14.238 1.00 0.77 H new ATOM 0 HG2 GLN A 98 7.384 -7.985 -16.413 1.00 1.17 H new ATOM 0 HG3 GLN A 98 6.489 -6.588 -15.850 1.00 1.17 H new ATOM 0 HE21 GLN A 98 7.472 -4.684 -16.401 1.00 4.13 H new ATOM 0 HE22 GLN A 98 9.220 -4.446 -16.488 1.00 4.13 H new ATOM 1034 N GLY A 99 4.800 -6.543 -12.985 1.00 0.58 N ATOM 1035 CA GLY A 99 3.518 -5.851 -13.039 1.00 0.55 C ATOM 1036 C GLY A 99 3.498 -4.588 -12.177 1.00 0.53 C ATOM 1037 O GLY A 99 3.051 -3.540 -12.648 1.00 0.59 O ATOM 0 H GLY A 99 4.724 -7.528 -12.730 1.00 0.58 H new ATOM 0 HA2 GLY A 99 3.295 -5.585 -14.072 1.00 0.55 H new ATOM 0 HA3 GLY A 99 2.730 -6.526 -12.707 1.00 0.55 H new ATOM 1041 N ILE A 100 4.041 -4.662 -10.955 1.00 0.49 N ATOM 1042 CA ILE A 100 4.002 -3.571 -9.982 1.00 0.55 C ATOM 1043 C ILE A 100 5.137 -2.570 -10.177 1.00 0.69 C ATOM 1044 O ILE A 100 4.910 -1.376 -9.985 1.00 0.82 O ATOM 1045 CB ILE A 100 3.903 -4.120 -8.560 1.00 0.49 C ATOM 1046 CG1 ILE A 100 3.186 -3.133 -7.637 1.00 0.57 C ATOM 1047 CG2 ILE A 100 5.253 -4.497 -7.921 1.00 0.49 C ATOM 1048 CD1 ILE A 100 1.789 -2.634 -8.039 1.00 0.67 C ATOM 0 H ILE A 100 4.525 -5.493 -10.614 1.00 0.49 H new ATOM 0 HA ILE A 100 3.095 -2.993 -10.159 1.00 0.55 H new ATOM 0 HB ILE A 100 3.330 -5.041 -8.666 1.00 0.49 H new ATOM 0 HG12 ILE A 100 3.102 -3.599 -6.655 1.00 0.57 H new ATOM 0 HG13 ILE A 100 3.829 -2.260 -7.521 1.00 0.57 H new ATOM 0 HG21 ILE A 100 5.085 -4.877 -6.913 1.00 0.49 H new ATOM 0 HG22 ILE A 100 5.738 -5.266 -8.522 1.00 0.49 H new ATOM 0 HG23 ILE A 100 5.892 -3.615 -7.875 1.00 0.49 H new ATOM 0 HD11 ILE A 100 1.418 -1.943 -7.282 1.00 0.67 H new ATOM 0 HD12 ILE A 100 1.848 -2.123 -9.000 1.00 0.67 H new ATOM 0 HD13 ILE A 100 1.109 -3.482 -8.120 1.00 0.67 H new ATOM 1060 N LYS A 101 6.320 -3.025 -10.620 1.00 0.72 N ATOM 1061 CA LYS A 101 7.426 -2.139 -11.012 1.00 0.89 C ATOM 1062 C LYS A 101 7.053 -1.258 -12.203 1.00 0.95 C ATOM 1063 O LYS A 101 7.390 -0.074 -12.194 1.00 1.14 O ATOM 1064 CB LYS A 101 8.690 -2.961 -11.305 1.00 0.95 C ATOM 1065 CG LYS A 101 9.331 -3.486 -10.013 1.00 0.98 C ATOM 1066 CD LYS A 101 10.517 -4.412 -10.305 1.00 1.09 C ATOM 1067 CE LYS A 101 11.066 -4.922 -8.971 1.00 2.39 C ATOM 1068 NZ LYS A 101 12.347 -5.643 -9.133 1.00 2.62 N ATOM 0 H LYS A 101 6.536 -4.017 -10.716 1.00 0.72 H new ATOM 0 HA LYS A 101 7.632 -1.472 -10.175 1.00 0.89 H new ATOM 0 HB2 LYS A 101 8.438 -3.800 -11.954 1.00 0.95 H new ATOM 0 HB3 LYS A 101 9.409 -2.345 -11.845 1.00 0.95 H new ATOM 0 HG2 LYS A 101 9.666 -2.645 -9.405 1.00 0.98 H new ATOM 0 HG3 LYS A 101 8.584 -4.024 -9.429 1.00 0.98 H new ATOM 0 HD2 LYS A 101 10.202 -5.247 -10.930 1.00 1.09 H new ATOM 0 HD3 LYS A 101 11.291 -3.876 -10.855 1.00 1.09 H new ATOM 0 HE2 LYS A 101 11.208 -4.080 -8.293 1.00 2.39 H new ATOM 0 HE3 LYS A 101 10.334 -5.584 -8.508 1.00 2.39 H new ATOM 0 HZ1 LYS A 101 12.681 -5.970 -8.204 1.00 2.62 H new ATOM 0 HZ2 LYS A 101 12.208 -6.462 -9.759 1.00 2.62 H new ATOM 0 HZ3 LYS A 101 13.054 -5.005 -9.550 1.00 2.62 H new ATOM 1082 N ASP A 102 6.310 -1.772 -13.187 1.00 0.86 N ATOM 1083 CA ASP A 102 5.801 -0.937 -14.285 1.00 0.96 C ATOM 1084 C ASP A 102 4.620 -0.060 -13.834 1.00 0.93 C ATOM 1085 O ASP A 102 4.690 1.162 -13.974 1.00 1.04 O ATOM 1086 CB ASP A 102 5.479 -1.797 -15.518 1.00 1.00 C ATOM 1087 CG ASP A 102 5.181 -0.958 -16.771 1.00 1.22 C ATOM 1088 OD1 ASP A 102 6.002 -0.075 -17.135 1.00 2.37 O ATOM 1089 OD2 ASP A 102 4.115 -1.162 -17.402 1.00 2.02 O ATOM 0 H ASP A 102 6.047 -2.756 -13.248 1.00 0.86 H new ATOM 0 HA ASP A 102 6.587 -0.243 -14.581 1.00 0.96 H new ATOM 0 HB2 ASP A 102 6.320 -2.460 -15.722 1.00 1.00 H new ATOM 0 HB3 ASP A 102 4.620 -2.431 -15.298 1.00 1.00 H new ATOM 1094 N TYR A 103 3.575 -0.631 -13.217 1.00 0.82 N ATOM 1095 CA TYR A 103 2.368 0.118 -12.822 1.00 0.83 C ATOM 1096 C TYR A 103 2.666 1.252 -11.819 1.00 0.92 C ATOM 1097 O TYR A 103 2.125 2.350 -11.967 1.00 1.01 O ATOM 1098 CB TYR A 103 1.344 -0.885 -12.270 1.00 0.75 C ATOM 1099 CG TYR A 103 -0.105 -0.439 -12.203 1.00 0.69 C ATOM 1100 CD1 TYR A 103 -0.541 0.413 -11.173 1.00 1.95 C ATOM 1101 CD2 TYR A 103 -1.041 -0.986 -13.102 1.00 2.00 C ATOM 1102 CE1 TYR A 103 -1.919 0.676 -11.015 1.00 1.85 C ATOM 1103 CE2 TYR A 103 -2.421 -0.736 -12.939 1.00 2.14 C ATOM 1104 CZ TYR A 103 -2.863 0.093 -11.888 1.00 0.79 C ATOM 1105 OH TYR A 103 -4.186 0.380 -11.754 1.00 0.92 O ATOM 0 H TYR A 103 3.540 -1.622 -12.977 1.00 0.82 H new ATOM 0 HA TYR A 103 1.960 0.622 -13.698 1.00 0.83 H new ATOM 0 HB2 TYR A 103 1.391 -1.786 -12.882 1.00 0.75 H new ATOM 0 HB3 TYR A 103 1.657 -1.166 -11.264 1.00 0.75 H new ATOM 0 HD1 TYR A 103 0.177 0.865 -10.504 1.00 1.95 H new ATOM 0 HD2 TYR A 103 -0.701 -1.601 -13.922 1.00 2.00 H new ATOM 0 HE1 TYR A 103 -2.253 1.327 -10.221 1.00 1.85 H new ATOM 0 HE2 TYR A 103 -3.136 -1.178 -13.617 1.00 2.14 H new ATOM 0 HH TYR A 103 -4.697 -0.104 -12.436 1.00 0.92 H new ATOM 1115 N SER A 104 3.575 1.024 -10.860 1.00 0.92 N ATOM 1116 CA SER A 104 4.064 2.028 -9.887 1.00 1.02 C ATOM 1117 C SER A 104 5.251 2.859 -10.404 1.00 1.14 C ATOM 1118 O SER A 104 5.710 3.777 -9.720 1.00 1.27 O ATOM 1119 CB SER A 104 4.493 1.379 -8.560 1.00 0.94 C ATOM 1120 OG SER A 104 3.659 0.301 -8.182 1.00 1.96 O ATOM 0 H SER A 104 4.007 0.109 -10.731 1.00 0.92 H new ATOM 0 HA SER A 104 3.212 2.690 -9.733 1.00 1.02 H new ATOM 0 HB2 SER A 104 5.520 1.024 -8.650 1.00 0.94 H new ATOM 0 HB3 SER A 104 4.484 2.133 -7.773 1.00 0.94 H new ATOM 0 HG SER A 104 3.874 -0.485 -8.726 1.00 1.96 H new ATOM 1126 N ASN A 105 5.761 2.528 -11.596 1.00 1.14 N ATOM 1127 CA ASN A 105 6.888 3.173 -12.282 1.00 1.28 C ATOM 1128 C ASN A 105 8.257 3.175 -11.543 1.00 1.21 C ATOM 1129 O ASN A 105 9.130 3.964 -11.916 1.00 1.32 O ATOM 1130 CB ASN A 105 6.423 4.574 -12.750 1.00 1.52 C ATOM 1131 CG ASN A 105 6.981 4.987 -14.090 1.00 1.75 C ATOM 1132 OD1 ASN A 105 6.326 4.876 -15.119 1.00 2.01 O ATOM 1133 ND2 ASN A 105 8.192 5.471 -14.124 1.00 1.77 N ATOM 0 H ASN A 105 5.375 1.757 -12.141 1.00 1.14 H new ATOM 0 HA ASN A 105 7.139 2.548 -13.139 1.00 1.28 H new ATOM 0 HB2 ASN A 105 5.334 4.586 -12.801 1.00 1.52 H new ATOM 0 HB3 ASN A 105 6.715 5.312 -12.003 1.00 1.52 H new ATOM 0 HD21 ASN A 105 8.601 5.761 -15.013 1.00 1.77 H new ATOM 0 HD22 ASN A 105 8.730 5.560 -13.262 1.00 1.77 H new ATOM 1140 N TRP A 106 8.487 2.342 -10.513 1.00 1.08 N ATOM 1141 CA TRP A 106 9.701 2.366 -9.682 1.00 1.00 C ATOM 1142 C TRP A 106 10.465 1.032 -9.712 1.00 0.94 C ATOM 1143 O TRP A 106 9.827 -0.022 -9.629 1.00 0.90 O ATOM 1144 CB TRP A 106 9.376 2.766 -8.230 1.00 0.95 C ATOM 1145 CG TRP A 106 10.159 3.953 -7.749 1.00 1.01 C ATOM 1146 CD1 TRP A 106 11.125 3.933 -6.804 1.00 0.99 C ATOM 1147 CD2 TRP A 106 10.113 5.334 -8.231 1.00 1.12 C ATOM 1148 NE1 TRP A 106 11.657 5.198 -6.645 1.00 1.09 N ATOM 1149 CE2 TRP A 106 11.093 6.094 -7.523 1.00 1.17 C ATOM 1150 CE3 TRP A 106 9.376 6.015 -9.225 1.00 1.23 C ATOM 1151 CZ2 TRP A 106 11.337 7.449 -7.791 1.00 1.32 C ATOM 1152 CZ3 TRP A 106 9.609 7.378 -9.501 1.00 1.39 C ATOM 1153 CH2 TRP A 106 10.589 8.093 -8.791 1.00 1.44 C ATOM 0 H TRP A 106 7.823 1.621 -10.231 1.00 1.08 H new ATOM 0 HA TRP A 106 10.354 3.123 -10.116 1.00 1.00 H new ATOM 0 HB2 TRP A 106 8.311 2.986 -8.151 1.00 0.95 H new ATOM 0 HB3 TRP A 106 9.575 1.919 -7.574 1.00 0.95 H new ATOM 0 HD1 TRP A 106 11.435 3.057 -6.254 1.00 0.99 H new ATOM 0 HE1 TRP A 106 12.377 5.437 -5.963 1.00 1.09 H new ATOM 0 HE3 TRP A 106 8.621 5.482 -9.784 1.00 1.23 H new ATOM 0 HZ2 TRP A 106 12.089 7.990 -7.236 1.00 1.32 H new ATOM 0 HZ3 TRP A 106 9.030 7.877 -10.264 1.00 1.39 H new ATOM 0 HH2 TRP A 106 10.767 9.135 -9.014 1.00 1.44 H new ATOM 1164 N PRO A 107 11.812 1.048 -9.749 1.00 1.05 N ATOM 1165 CA PRO A 107 12.633 -0.163 -9.771 1.00 1.15 C ATOM 1166 C PRO A 107 12.474 -1.078 -8.555 1.00 1.00 C ATOM 1167 O PRO A 107 12.450 -2.294 -8.727 1.00 1.15 O ATOM 1168 CB PRO A 107 14.087 0.315 -9.887 1.00 1.36 C ATOM 1169 CG PRO A 107 13.970 1.702 -10.509 1.00 1.71 C ATOM 1170 CD PRO A 107 12.643 2.222 -9.984 1.00 1.23 C ATOM 0 HA PRO A 107 12.311 -0.781 -10.609 1.00 1.15 H new ATOM 0 HB2 PRO A 107 14.573 0.354 -8.912 1.00 1.36 H new ATOM 0 HB3 PRO A 107 14.679 -0.354 -10.512 1.00 1.36 H new ATOM 0 HG2 PRO A 107 14.798 2.345 -10.211 1.00 1.71 H new ATOM 0 HG3 PRO A 107 13.979 1.654 -11.598 1.00 1.71 H new ATOM 0 HD2 PRO A 107 12.784 2.790 -9.064 1.00 1.23 H new ATOM 0 HD3 PRO A 107 12.175 2.893 -10.705 1.00 1.23 H new ATOM 1178 N THR A 108 12.404 -0.545 -7.329 1.00 0.84 N ATOM 1179 CA THR A 108 12.279 -1.341 -6.080 1.00 0.97 C ATOM 1180 C THR A 108 11.909 -0.477 -4.857 1.00 0.94 C ATOM 1181 O THR A 108 12.741 -0.126 -4.017 1.00 1.49 O ATOM 1182 CB THR A 108 13.563 -2.138 -5.731 1.00 1.45 C ATOM 1183 OG1 THR A 108 14.132 -2.874 -6.798 1.00 2.89 O ATOM 1184 CG2 THR A 108 13.325 -3.197 -4.652 1.00 1.88 C ATOM 0 H THR A 108 12.432 0.461 -7.164 1.00 0.84 H new ATOM 0 HA THR A 108 11.471 -2.041 -6.294 1.00 0.97 H new ATOM 0 HB THR A 108 14.231 -1.336 -5.417 1.00 1.45 H new ATOM 0 HG1 THR A 108 13.461 -3.003 -7.501 1.00 2.89 H new ATOM 0 HG21 THR A 108 14.257 -3.724 -4.448 1.00 1.88 H new ATOM 0 HG22 THR A 108 12.973 -2.715 -3.740 1.00 1.88 H new ATOM 0 HG23 THR A 108 12.575 -3.908 -4.999 1.00 1.88 H new ATOM 1192 N ILE A 109 10.623 -0.185 -4.716 1.00 0.81 N ATOM 1193 CA ILE A 109 9.964 0.432 -3.542 1.00 0.74 C ATOM 1194 C ILE A 109 8.641 -0.312 -3.262 1.00 0.76 C ATOM 1195 O ILE A 109 8.053 -0.812 -4.219 1.00 1.26 O ATOM 1196 CB ILE A 109 9.752 1.948 -3.818 1.00 1.21 C ATOM 1197 CG1 ILE A 109 11.022 2.778 -3.517 1.00 2.34 C ATOM 1198 CG2 ILE A 109 8.544 2.588 -3.109 1.00 1.10 C ATOM 1199 CD1 ILE A 109 11.408 2.893 -2.035 1.00 3.80 C ATOM 0 H ILE A 109 9.956 -0.381 -5.462 1.00 0.81 H new ATOM 0 HA ILE A 109 10.584 0.346 -2.650 1.00 0.74 H new ATOM 0 HB ILE A 109 9.530 1.977 -4.885 1.00 1.21 H new ATOM 0 HG12 ILE A 109 11.859 2.336 -4.058 1.00 2.34 H new ATOM 0 HG13 ILE A 109 10.880 3.783 -3.915 1.00 2.34 H new ATOM 0 HG21 ILE A 109 8.488 3.645 -3.369 1.00 1.10 H new ATOM 0 HG22 ILE A 109 7.629 2.087 -3.426 1.00 1.10 H new ATOM 0 HG23 ILE A 109 8.659 2.485 -2.030 1.00 1.10 H new ATOM 0 HD11 ILE A 109 12.312 3.495 -1.940 1.00 3.80 H new ATOM 0 HD12 ILE A 109 10.596 3.367 -1.483 1.00 3.80 H new ATOM 0 HD13 ILE A 109 11.591 1.898 -1.628 1.00 3.80 H new ATOM 1211 N PRO A 110 8.132 -0.410 -2.014 1.00 0.58 N ATOM 1212 CA PRO A 110 6.784 -0.926 -1.751 1.00 0.69 C ATOM 1213 C PRO A 110 5.708 0.172 -1.748 1.00 0.52 C ATOM 1214 O PRO A 110 6.007 1.328 -1.437 1.00 0.50 O ATOM 1215 CB PRO A 110 6.889 -1.638 -0.411 1.00 0.96 C ATOM 1216 CG PRO A 110 8.026 -0.948 0.329 1.00 0.52 C ATOM 1217 CD PRO A 110 8.856 -0.247 -0.756 1.00 0.53 C ATOM 0 HA PRO A 110 6.460 -1.600 -2.544 1.00 0.69 H new ATOM 0 HB2 PRO A 110 5.956 -1.564 0.147 1.00 0.96 H new ATOM 0 HB3 PRO A 110 7.096 -2.700 -0.546 1.00 0.96 H new ATOM 0 HG2 PRO A 110 7.643 -0.231 1.055 1.00 0.52 H new ATOM 0 HG3 PRO A 110 8.630 -1.669 0.881 1.00 0.52 H new ATOM 0 HD2 PRO A 110 8.987 0.809 -0.520 1.00 0.53 H new ATOM 0 HD3 PRO A 110 9.852 -0.685 -0.824 1.00 0.53 H new ATOM 1225 N GLN A 111 4.454 -0.183 -2.064 1.00 0.49 N ATOM 1226 CA GLN A 111 3.350 0.757 -2.305 1.00 0.48 C ATOM 1227 C GLN A 111 2.097 0.445 -1.473 1.00 0.33 C ATOM 1228 O GLN A 111 1.927 -0.662 -0.952 1.00 0.31 O ATOM 1229 CB GLN A 111 2.976 0.766 -3.804 1.00 0.72 C ATOM 1230 CG GLN A 111 4.045 1.312 -4.765 1.00 0.82 C ATOM 1231 CD GLN A 111 5.168 0.341 -5.122 1.00 1.26 C ATOM 1232 OE1 GLN A 111 5.090 -0.869 -4.945 1.00 2.49 O ATOM 1233 NE2 GLN A 111 6.263 0.856 -5.632 1.00 1.52 N ATOM 0 H GLN A 111 4.172 -1.158 -2.162 1.00 0.49 H new ATOM 0 HA GLN A 111 3.710 1.738 -1.995 1.00 0.48 H new ATOM 0 HB2 GLN A 111 2.734 -0.254 -4.103 1.00 0.72 H new ATOM 0 HB3 GLN A 111 2.069 1.358 -3.928 1.00 0.72 H new ATOM 0 HG2 GLN A 111 3.554 1.626 -5.686 1.00 0.82 H new ATOM 0 HG3 GLN A 111 4.487 2.203 -4.320 1.00 0.82 H new ATOM 0 HE21 GLN A 111 6.332 1.863 -5.781 1.00 1.52 H new ATOM 0 HE22 GLN A 111 7.045 0.249 -5.879 1.00 1.52 H new ATOM 1242 N VAL A 112 1.162 1.403 -1.422 1.00 0.33 N ATOM 1243 CA VAL A 112 -0.234 1.136 -1.082 1.00 0.30 C ATOM 1244 C VAL A 112 -1.143 1.851 -2.076 1.00 0.33 C ATOM 1245 O VAL A 112 -0.918 3.013 -2.425 1.00 0.52 O ATOM 1246 CB VAL A 112 -0.533 1.468 0.392 1.00 0.31 C ATOM 1247 CG1 VAL A 112 -0.545 2.962 0.727 1.00 0.33 C ATOM 1248 CG2 VAL A 112 -1.853 0.837 0.847 1.00 0.34 C ATOM 0 H VAL A 112 1.357 2.385 -1.616 1.00 0.33 H new ATOM 0 HA VAL A 112 -0.437 0.069 -1.171 1.00 0.30 H new ATOM 0 HB VAL A 112 0.305 1.036 0.939 1.00 0.31 H new ATOM 0 HG11 VAL A 112 -0.764 3.096 1.786 1.00 0.33 H new ATOM 0 HG12 VAL A 112 0.430 3.393 0.501 1.00 0.33 H new ATOM 0 HG13 VAL A 112 -1.310 3.462 0.133 1.00 0.33 H new ATOM 0 HG21 VAL A 112 -2.036 1.089 1.891 1.00 0.34 H new ATOM 0 HG22 VAL A 112 -2.669 1.218 0.233 1.00 0.34 H new ATOM 0 HG23 VAL A 112 -1.794 -0.246 0.741 1.00 0.34 H new ATOM 1258 N TYR A 113 -2.157 1.131 -2.548 1.00 0.32 N ATOM 1259 CA TYR A 113 -3.235 1.671 -3.377 1.00 0.32 C ATOM 1260 C TYR A 113 -4.514 1.722 -2.533 1.00 0.30 C ATOM 1261 O TYR A 113 -4.830 0.757 -1.829 1.00 0.33 O ATOM 1262 CB TYR A 113 -3.386 0.829 -4.656 1.00 0.34 C ATOM 1263 CG TYR A 113 -2.196 0.939 -5.592 1.00 0.37 C ATOM 1264 CD1 TYR A 113 -0.992 0.281 -5.274 1.00 2.19 C ATOM 1265 CD2 TYR A 113 -2.285 1.693 -6.776 1.00 2.05 C ATOM 1266 CE1 TYR A 113 0.129 0.388 -6.113 1.00 2.19 C ATOM 1267 CE2 TYR A 113 -1.168 1.784 -7.629 1.00 2.12 C ATOM 1268 CZ TYR A 113 0.042 1.144 -7.302 1.00 0.62 C ATOM 1269 OH TYR A 113 1.093 1.277 -8.151 1.00 0.80 O ATOM 0 H TYR A 113 -2.256 0.133 -2.362 1.00 0.32 H new ATOM 0 HA TYR A 113 -3.010 2.686 -3.705 1.00 0.32 H new ATOM 0 HB2 TYR A 113 -3.527 -0.216 -4.380 1.00 0.34 H new ATOM 0 HB3 TYR A 113 -4.286 1.143 -5.185 1.00 0.34 H new ATOM 0 HD1 TYR A 113 -0.930 -0.313 -4.374 1.00 2.19 H new ATOM 0 HD2 TYR A 113 -3.205 2.199 -7.030 1.00 2.05 H new ATOM 0 HE1 TYR A 113 1.053 -0.106 -5.850 1.00 2.19 H new ATOM 0 HE2 TYR A 113 -1.241 2.352 -8.545 1.00 2.12 H new ATOM 0 HH TYR A 113 1.851 0.752 -7.818 1.00 0.80 H new ATOM 1279 N LEU A 114 -5.245 2.840 -2.581 1.00 0.32 N ATOM 1280 CA LEU A 114 -6.517 3.008 -1.867 1.00 0.31 C ATOM 1281 C LEU A 114 -7.677 3.139 -2.850 1.00 0.31 C ATOM 1282 O LEU A 114 -7.573 3.903 -3.802 1.00 0.40 O ATOM 1283 CB LEU A 114 -6.482 4.163 -0.851 1.00 0.34 C ATOM 1284 CG LEU A 114 -6.203 3.716 0.595 1.00 0.37 C ATOM 1285 CD1 LEU A 114 -4.845 3.067 0.774 1.00 0.40 C ATOM 1286 CD2 LEU A 114 -6.338 4.925 1.517 1.00 0.50 C ATOM 0 H LEU A 114 -4.969 3.661 -3.120 1.00 0.32 H new ATOM 0 HA LEU A 114 -6.678 2.105 -1.279 1.00 0.31 H new ATOM 0 HB2 LEU A 114 -5.716 4.877 -1.154 1.00 0.34 H new ATOM 0 HB3 LEU A 114 -7.437 4.688 -0.880 1.00 0.34 H new ATOM 0 HG LEU A 114 -6.936 2.950 0.849 1.00 0.37 H new ATOM 0 HD11 LEU A 114 -4.715 2.777 1.817 1.00 0.40 H new ATOM 0 HD12 LEU A 114 -4.778 2.183 0.140 1.00 0.40 H new ATOM 0 HD13 LEU A 114 -4.064 3.774 0.494 1.00 0.40 H new ATOM 0 HD21 LEU A 114 -6.143 4.622 2.546 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -5.620 5.690 1.222 1.00 0.50 H new ATOM 0 HD23 LEU A 114 -7.348 5.328 1.443 1.00 0.50 H new ATOM 1298 N ASN A 115 -8.781 2.411 -2.639 1.00 0.29 N ATOM 1299 CA ASN A 115 -9.945 2.434 -3.546 1.00 0.34 C ATOM 1300 C ASN A 115 -9.584 2.124 -5.024 1.00 0.35 C ATOM 1301 O ASN A 115 -10.165 2.682 -5.957 1.00 0.43 O ATOM 1302 CB ASN A 115 -10.681 3.770 -3.366 1.00 0.43 C ATOM 1303 CG ASN A 115 -12.164 3.665 -3.683 1.00 0.59 C ATOM 1304 OD1 ASN A 115 -12.677 2.709 -4.254 1.00 0.74 O ATOM 1305 ND2 ASN A 115 -12.936 4.625 -3.259 1.00 0.66 N ATOM 0 H ASN A 115 -8.896 1.790 -1.838 1.00 0.29 H new ATOM 0 HA ASN A 115 -10.618 1.621 -3.273 1.00 0.34 H new ATOM 0 HB2 ASN A 115 -10.556 4.115 -2.340 1.00 0.43 H new ATOM 0 HB3 ASN A 115 -10.227 4.521 -4.012 1.00 0.43 H new ATOM 0 HD21 ASN A 115 -13.944 4.571 -3.405 1.00 0.66 H new ATOM 0 HD22 ASN A 115 -12.532 5.431 -2.781 1.00 0.66 H new ATOM 1312 N GLY A 116 -8.560 1.292 -5.243 1.00 0.35 N ATOM 1313 CA GLY A 116 -7.953 1.054 -6.551 1.00 0.43 C ATOM 1314 C GLY A 116 -7.174 2.217 -7.188 1.00 0.51 C ATOM 1315 O GLY A 116 -7.006 2.242 -8.410 1.00 0.89 O ATOM 0 H GLY A 116 -8.122 0.754 -4.495 1.00 0.35 H new ATOM 0 HA2 GLY A 116 -7.276 0.204 -6.459 1.00 0.43 H new ATOM 0 HA3 GLY A 116 -8.743 0.759 -7.241 1.00 0.43 H new ATOM 1319 N GLU A 117 -6.732 3.198 -6.404 1.00 0.39 N ATOM 1320 CA GLU A 117 -6.046 4.409 -6.857 1.00 0.43 C ATOM 1321 C GLU A 117 -4.684 4.593 -6.180 1.00 0.40 C ATOM 1322 O GLU A 117 -4.472 4.207 -5.028 1.00 0.40 O ATOM 1323 CB GLU A 117 -6.992 5.600 -6.710 1.00 0.55 C ATOM 1324 CG GLU A 117 -6.364 6.923 -7.080 1.00 0.73 C ATOM 1325 CD GLU A 117 -7.420 8.026 -7.189 1.00 0.98 C ATOM 1326 OE1 GLU A 117 -7.849 8.574 -6.142 1.00 1.84 O ATOM 1327 OE2 GLU A 117 -7.844 8.332 -8.333 1.00 1.57 O ATOM 0 H GLU A 117 -6.847 3.171 -5.391 1.00 0.39 H new ATOM 0 HA GLU A 117 -5.798 4.319 -7.915 1.00 0.43 H new ATOM 0 HB2 GLU A 117 -7.869 5.436 -7.337 1.00 0.55 H new ATOM 0 HB3 GLU A 117 -7.342 5.650 -5.679 1.00 0.55 H new ATOM 0 HG2 GLU A 117 -5.622 7.199 -6.330 1.00 0.73 H new ATOM 0 HG3 GLU A 117 -5.837 6.826 -8.029 1.00 0.73 H new ATOM 1334 N PHE A 118 -3.739 5.151 -6.935 1.00 0.47 N ATOM 1335 CA PHE A 118 -2.353 5.332 -6.540 1.00 0.50 C ATOM 1336 C PHE A 118 -2.107 6.633 -5.783 1.00 0.52 C ATOM 1337 O PHE A 118 -2.640 7.713 -6.051 1.00 0.61 O ATOM 1338 CB PHE A 118 -1.475 5.238 -7.788 1.00 0.63 C ATOM 1339 CG PHE A 118 0.026 5.081 -7.599 1.00 0.77 C ATOM 1340 CD1 PHE A 118 0.622 4.582 -6.418 1.00 1.82 C ATOM 1341 CD2 PHE A 118 0.838 5.410 -8.695 1.00 2.25 C ATOM 1342 CE1 PHE A 118 2.018 4.417 -6.348 1.00 1.89 C ATOM 1343 CE2 PHE A 118 2.232 5.253 -8.623 1.00 2.37 C ATOM 1344 CZ PHE A 118 2.822 4.754 -7.449 1.00 1.19 C ATOM 0 H PHE A 118 -3.931 5.501 -7.874 1.00 0.47 H new ATOM 0 HA PHE A 118 -2.093 4.540 -5.837 1.00 0.50 H new ATOM 0 HB2 PHE A 118 -1.827 4.393 -8.380 1.00 0.63 H new ATOM 0 HB3 PHE A 118 -1.644 6.136 -8.383 1.00 0.63 H new ATOM 0 HD1 PHE A 118 0.005 4.327 -5.569 1.00 1.82 H new ATOM 0 HD2 PHE A 118 0.388 5.787 -9.601 1.00 2.25 H new ATOM 0 HE1 PHE A 118 2.471 4.031 -5.447 1.00 1.89 H new ATOM 0 HE2 PHE A 118 2.850 5.515 -9.469 1.00 2.37 H new ATOM 0 HZ PHE A 118 3.893 4.630 -7.394 1.00 1.19 H new ATOM 1354 N VAL A 119 -1.310 6.440 -4.747 1.00 0.48 N ATOM 1355 CA VAL A 119 -1.557 6.966 -3.413 1.00 0.45 C ATOM 1356 C VAL A 119 -0.223 7.051 -2.693 1.00 0.53 C ATOM 1357 O VAL A 119 0.142 8.130 -2.230 1.00 0.69 O ATOM 1358 CB VAL A 119 -2.575 6.004 -2.777 1.00 0.64 C ATOM 1359 CG1 VAL A 119 -2.464 5.707 -1.300 1.00 0.79 C ATOM 1360 CG2 VAL A 119 -3.959 6.602 -3.021 1.00 1.48 C ATOM 0 H VAL A 119 -0.448 5.898 -4.811 1.00 0.48 H new ATOM 0 HA VAL A 119 -1.975 7.972 -3.382 1.00 0.45 H new ATOM 0 HB VAL A 119 -2.375 5.043 -3.251 1.00 0.64 H new ATOM 0 HG11 VAL A 119 -3.253 5.014 -1.008 1.00 0.79 H new ATOM 0 HG12 VAL A 119 -1.492 5.260 -1.091 1.00 0.79 H new ATOM 0 HG13 VAL A 119 -2.567 6.633 -0.734 1.00 0.79 H new ATOM 0 HG21 VAL A 119 -4.718 5.952 -2.586 1.00 1.48 H new ATOM 0 HG22 VAL A 119 -4.016 7.587 -2.558 1.00 1.48 H new ATOM 0 HG23 VAL A 119 -4.132 6.694 -4.093 1.00 1.48 H new ATOM 1370 N GLY A 120 0.597 6.002 -2.806 1.00 0.54 N ATOM 1371 CA GLY A 120 2.026 6.220 -2.969 1.00 0.66 C ATOM 1372 C GLY A 120 2.925 5.016 -2.708 1.00 0.56 C ATOM 1373 O GLY A 120 2.468 3.959 -2.270 1.00 0.59 O ATOM 0 H GLY A 120 0.303 5.025 -2.788 1.00 0.54 H new ATOM 0 HA2 GLY A 120 2.206 6.568 -3.986 1.00 0.66 H new ATOM 0 HA3 GLY A 120 2.328 7.025 -2.299 1.00 0.66 H new ATOM 1377 N GLY A 121 4.221 5.202 -2.968 1.00 0.57 N ATOM 1378 CA GLY A 121 5.283 4.347 -2.433 1.00 0.49 C ATOM 1379 C GLY A 121 5.708 4.764 -1.018 1.00 0.46 C ATOM 1380 O GLY A 121 5.285 5.807 -0.515 1.00 0.49 O ATOM 0 H GLY A 121 4.566 5.957 -3.561 1.00 0.57 H new ATOM 0 HA2 GLY A 121 4.940 3.312 -2.417 1.00 0.49 H new ATOM 0 HA3 GLY A 121 6.147 4.386 -3.096 1.00 0.49 H new ATOM 1384 N CYS A 122 6.553 3.967 -0.363 1.00 0.44 N ATOM 1385 CA CYS A 122 6.984 4.203 1.022 1.00 0.45 C ATOM 1386 C CYS A 122 7.608 5.595 1.271 1.00 0.54 C ATOM 1387 O CYS A 122 7.351 6.203 2.309 1.00 0.67 O ATOM 1388 CB CYS A 122 7.972 3.093 1.411 1.00 0.55 C ATOM 1389 SG CYS A 122 8.415 3.226 3.168 1.00 0.86 S ATOM 0 H CYS A 122 6.963 3.131 -0.780 1.00 0.44 H new ATOM 0 HA CYS A 122 6.092 4.182 1.647 1.00 0.45 H new ATOM 0 HB2 CYS A 122 7.528 2.117 1.214 1.00 0.55 H new ATOM 0 HB3 CYS A 122 8.870 3.165 0.797 1.00 0.55 H new ATOM 0 HG CYS A 122 9.640 2.824 3.338 1.00 0.86 H new ATOM 1395 N ASP A 123 8.399 6.128 0.335 1.00 0.57 N ATOM 1396 CA ASP A 123 9.090 7.422 0.484 1.00 0.67 C ATOM 1397 C ASP A 123 8.142 8.623 0.284 1.00 0.81 C ATOM 1398 O ASP A 123 8.444 9.740 0.704 1.00 1.16 O ATOM 1399 CB ASP A 123 10.266 7.457 -0.507 1.00 0.80 C ATOM 1400 CG ASP A 123 11.414 8.408 -0.136 1.00 1.13 C ATOM 1401 OD1 ASP A 123 11.488 8.925 1.003 1.00 1.84 O ATOM 1402 OD2 ASP A 123 12.301 8.612 -1.003 1.00 2.24 O ATOM 0 H ASP A 123 8.583 5.672 -0.559 1.00 0.57 H new ATOM 0 HA ASP A 123 9.462 7.511 1.505 1.00 0.67 H new ATOM 0 HB2 ASP A 123 10.669 6.449 -0.602 1.00 0.80 H new ATOM 0 HB3 ASP A 123 9.884 7.741 -1.488 1.00 0.80 H new ATOM 1407 N ILE A 124 6.977 8.385 -0.331 1.00 0.63 N ATOM 1408 CA ILE A 124 5.838 9.313 -0.439 1.00 0.63 C ATOM 1409 C ILE A 124 4.932 9.204 0.790 1.00 0.58 C ATOM 1410 O ILE A 124 4.553 10.219 1.374 1.00 0.60 O ATOM 1411 CB ILE A 124 5.063 9.026 -1.735 1.00 0.63 C ATOM 1412 CG1 ILE A 124 5.921 9.326 -2.974 1.00 0.69 C ATOM 1413 CG2 ILE A 124 3.734 9.800 -1.783 1.00 0.66 C ATOM 1414 CD1 ILE A 124 6.374 10.776 -3.179 1.00 1.10 C ATOM 0 H ILE A 124 6.791 7.494 -0.792 1.00 0.63 H new ATOM 0 HA ILE A 124 6.210 10.337 -0.477 1.00 0.63 H new ATOM 0 HB ILE A 124 4.824 7.963 -1.742 1.00 0.63 H new ATOM 0 HG12 ILE A 124 6.810 8.698 -2.929 1.00 0.69 H new ATOM 0 HG13 ILE A 124 5.359 9.020 -3.856 1.00 0.69 H new ATOM 0 HG21 ILE A 124 3.214 9.572 -2.713 1.00 0.66 H new ATOM 0 HG22 ILE A 124 3.111 9.507 -0.938 1.00 0.66 H new ATOM 0 HG23 ILE A 124 3.934 10.870 -1.732 1.00 0.66 H new ATOM 0 HD11 ILE A 124 6.971 10.846 -4.089 1.00 1.10 H new ATOM 0 HD12 ILE A 124 5.500 11.421 -3.268 1.00 1.10 H new ATOM 0 HD13 ILE A 124 6.974 11.094 -2.326 1.00 1.10 H new ATOM 1426 N LEU A 125 4.636 7.979 1.233 1.00 0.52 N ATOM 1427 CA LEU A 125 3.850 7.711 2.446 1.00 0.48 C ATOM 1428 C LEU A 125 4.429 8.443 3.672 1.00 0.54 C ATOM 1429 O LEU A 125 3.681 8.980 4.488 1.00 0.58 O ATOM 1430 CB LEU A 125 3.808 6.186 2.683 1.00 0.44 C ATOM 1431 CG LEU A 125 2.651 5.730 3.590 1.00 0.45 C ATOM 1432 CD1 LEU A 125 1.305 5.791 2.866 1.00 0.47 C ATOM 1433 CD2 LEU A 125 2.858 4.280 4.021 1.00 0.53 C ATOM 0 H LEU A 125 4.939 7.131 0.754 1.00 0.52 H new ATOM 0 HA LEU A 125 2.838 8.090 2.304 1.00 0.48 H new ATOM 0 HB2 LEU A 125 3.724 5.680 1.721 1.00 0.44 H new ATOM 0 HB3 LEU A 125 4.752 5.871 3.128 1.00 0.44 H new ATOM 0 HG LEU A 125 2.643 6.404 4.447 1.00 0.45 H new ATOM 0 HD11 LEU A 125 0.514 5.461 3.540 1.00 0.47 H new ATOM 0 HD12 LEU A 125 1.108 6.815 2.549 1.00 0.47 H new ATOM 0 HD13 LEU A 125 1.332 5.140 1.992 1.00 0.47 H new ATOM 0 HD21 LEU A 125 2.033 3.970 4.662 1.00 0.53 H new ATOM 0 HD22 LEU A 125 2.893 3.640 3.139 1.00 0.53 H new ATOM 0 HD23 LEU A 125 3.796 4.194 4.570 1.00 0.53 H new ATOM 1445 N LEU A 126 5.762 8.538 3.742 1.00 0.59 N ATOM 1446 CA LEU A 126 6.518 9.213 4.806 1.00 0.69 C ATOM 1447 C LEU A 126 6.337 10.741 4.800 1.00 0.75 C ATOM 1448 O LEU A 126 6.492 11.403 5.825 1.00 0.91 O ATOM 1449 CB LEU A 126 8.012 8.832 4.660 1.00 0.77 C ATOM 1450 CG LEU A 126 8.748 8.450 5.956 1.00 0.82 C ATOM 1451 CD1 LEU A 126 8.698 9.537 7.023 1.00 0.87 C ATOM 1452 CD2 LEU A 126 8.168 7.176 6.565 1.00 0.85 C ATOM 0 H LEU A 126 6.369 8.131 3.031 1.00 0.59 H new ATOM 0 HA LEU A 126 6.129 8.877 5.767 1.00 0.69 H new ATOM 0 HB2 LEU A 126 8.085 7.995 3.966 1.00 0.77 H new ATOM 0 HB3 LEU A 126 8.536 9.672 4.204 1.00 0.77 H new ATOM 0 HG LEU A 126 9.786 8.302 5.657 1.00 0.82 H new ATOM 0 HD11 LEU A 126 9.236 9.202 7.910 1.00 0.87 H new ATOM 0 HD12 LEU A 126 9.162 10.445 6.639 1.00 0.87 H new ATOM 0 HD13 LEU A 126 7.660 9.742 7.285 1.00 0.87 H new ATOM 0 HD21 LEU A 126 8.708 6.931 7.479 1.00 0.85 H new ATOM 0 HD22 LEU A 126 7.114 7.330 6.796 1.00 0.85 H new ATOM 0 HD23 LEU A 126 8.267 6.355 5.854 1.00 0.85 H new ATOM 1464 N GLN A 127 5.962 11.322 3.664 1.00 0.69 N ATOM 1465 CA GLN A 127 5.535 12.711 3.569 1.00 0.72 C ATOM 1466 C GLN A 127 4.070 12.833 4.011 1.00 0.64 C ATOM 1467 O GLN A 127 3.718 13.556 4.947 1.00 0.66 O ATOM 1468 CB GLN A 127 5.708 13.183 2.120 1.00 0.75 C ATOM 1469 CG GLN A 127 7.015 12.756 1.441 1.00 0.84 C ATOM 1470 CD GLN A 127 8.279 12.948 2.275 1.00 0.94 C ATOM 1471 OE1 GLN A 127 8.594 14.023 2.773 1.00 1.06 O ATOM 1472 NE2 GLN A 127 9.031 11.889 2.463 1.00 0.97 N ATOM 0 H GLN A 127 5.947 10.831 2.770 1.00 0.69 H new ATOM 0 HA GLN A 127 6.141 13.338 4.223 1.00 0.72 H new ATOM 0 HB2 GLN A 127 4.872 12.806 1.531 1.00 0.75 H new ATOM 0 HB3 GLN A 127 5.647 14.271 2.100 1.00 0.75 H new ATOM 0 HG2 GLN A 127 6.936 11.704 1.169 1.00 0.84 H new ATOM 0 HG3 GLN A 127 7.123 13.318 0.513 1.00 0.84 H new ATOM 0 HE21 GLN A 127 8.767 10.996 2.048 1.00 0.97 H new ATOM 0 HE22 GLN A 127 9.880 11.959 3.025 1.00 0.97 H new ATOM 1481 N MET A 128 3.208 12.042 3.372 1.00 0.58 N ATOM 1482 CA MET A 128 1.761 12.187 3.451 1.00 0.56 C ATOM 1483 C MET A 128 1.176 11.842 4.820 1.00 0.54 C ATOM 1484 O MET A 128 0.172 12.432 5.221 1.00 0.56 O ATOM 1485 CB MET A 128 1.152 11.284 2.390 1.00 0.53 C ATOM 1486 CG MET A 128 1.503 11.740 0.972 1.00 0.55 C ATOM 1487 SD MET A 128 0.600 10.855 -0.313 1.00 0.58 S ATOM 1488 CE MET A 128 -1.040 11.496 0.071 1.00 0.54 C ATOM 0 H MET A 128 3.505 11.270 2.775 1.00 0.58 H new ATOM 0 HA MET A 128 1.521 13.237 3.287 1.00 0.56 H new ATOM 0 HB2 MET A 128 1.503 10.263 2.539 1.00 0.53 H new ATOM 0 HB3 MET A 128 0.068 11.268 2.507 1.00 0.53 H new ATOM 0 HG2 MET A 128 1.297 12.806 0.881 1.00 0.55 H new ATOM 0 HG3 MET A 128 2.573 11.607 0.810 1.00 0.55 H new ATOM 0 HE1 MET A 128 -1.763 11.097 -0.641 1.00 0.54 H new ATOM 0 HE2 MET A 128 -1.321 11.196 1.080 1.00 0.54 H new ATOM 0 HE3 MET A 128 -1.030 12.584 0.006 1.00 0.54 H new ATOM 1498 N HIS A 129 1.818 10.932 5.555 1.00 0.54 N ATOM 1499 CA HIS A 129 1.489 10.625 6.963 1.00 0.55 C ATOM 1500 C HIS A 129 1.513 11.877 7.831 1.00 0.62 C ATOM 1501 O HIS A 129 0.650 12.139 8.669 1.00 0.64 O ATOM 1502 CB HIS A 129 2.560 9.700 7.546 1.00 0.58 C ATOM 1503 CG HIS A 129 2.263 9.172 8.924 1.00 0.60 C ATOM 1504 ND1 HIS A 129 1.085 8.663 9.430 1.00 0.56 N ATOM 1505 CD2 HIS A 129 3.163 9.165 9.943 1.00 0.68 C ATOM 1506 CE1 HIS A 129 1.304 8.311 10.708 1.00 0.62 C ATOM 1507 NE2 HIS A 129 2.563 8.602 11.072 1.00 0.69 N ATOM 0 H HIS A 129 2.592 10.376 5.192 1.00 0.54 H new ATOM 0 HA HIS A 129 0.496 10.175 6.965 1.00 0.55 H new ATOM 0 HB2 HIS A 129 2.695 8.855 6.871 1.00 0.58 H new ATOM 0 HB3 HIS A 129 3.507 10.239 7.576 1.00 0.58 H new ATOM 0 HD2 HIS A 129 4.176 9.534 9.889 1.00 0.68 H new ATOM 0 HE1 HIS A 129 0.568 7.856 11.354 1.00 0.62 H new ATOM 0 HE2 HIS A 129 2.992 8.445 11.984 1.00 0.69 H new ATOM 1515 N GLN A 130 2.603 12.605 7.636 1.00 0.69 N ATOM 1516 CA GLN A 130 3.126 13.569 8.574 1.00 0.79 C ATOM 1517 C GLN A 130 2.598 14.978 8.260 1.00 0.83 C ATOM 1518 O GLN A 130 2.516 15.834 9.137 1.00 0.98 O ATOM 1519 CB GLN A 130 4.642 13.413 8.559 1.00 0.86 C ATOM 1520 CG GLN A 130 5.095 11.983 8.807 1.00 0.83 C ATOM 1521 CD GLN A 130 6.424 11.924 9.549 1.00 0.92 C ATOM 1522 OE1 GLN A 130 6.484 11.858 10.773 1.00 1.11 O ATOM 1523 NE2 GLN A 130 7.521 12.000 8.839 1.00 0.96 N ATOM 0 H GLN A 130 3.163 12.533 6.787 1.00 0.69 H new ATOM 0 HA GLN A 130 2.785 13.396 9.595 1.00 0.79 H new ATOM 0 HB2 GLN A 130 5.027 13.748 7.596 1.00 0.86 H new ATOM 0 HB3 GLN A 130 5.076 14.063 9.319 1.00 0.86 H new ATOM 0 HG2 GLN A 130 4.334 11.457 9.384 1.00 0.83 H new ATOM 0 HG3 GLN A 130 5.189 11.462 7.854 1.00 0.83 H new ATOM 0 HE21 GLN A 130 7.467 12.055 7.822 1.00 0.96 H new ATOM 0 HE22 GLN A 130 8.429 12.004 9.303 1.00 0.96 H new ATOM 1532 N ASN A 131 2.176 15.193 7.008 1.00 0.74 N ATOM 1533 CA ASN A 131 1.294 16.265 6.563 1.00 0.75 C ATOM 1534 C ASN A 131 -0.211 15.933 6.734 1.00 0.77 C ATOM 1535 O ASN A 131 -1.033 16.845 6.832 1.00 0.94 O ATOM 1536 CB ASN A 131 1.705 16.573 5.135 1.00 0.76 C ATOM 1537 CG ASN A 131 0.820 17.619 4.511 1.00 1.06 C ATOM 1538 OD1 ASN A 131 0.604 18.703 5.033 1.00 2.32 O ATOM 1539 ND2 ASN A 131 0.220 17.271 3.410 1.00 0.95 N ATOM 0 H ASN A 131 2.460 14.586 6.239 1.00 0.74 H new ATOM 0 HA ASN A 131 1.406 17.152 7.187 1.00 0.75 H new ATOM 0 HB2 ASN A 131 2.739 16.917 5.121 1.00 0.76 H new ATOM 0 HB3 ASN A 131 1.664 15.660 4.540 1.00 0.76 H new ATOM 0 HD21 ASN A 131 -0.443 17.907 2.968 1.00 0.95 H new ATOM 0 HD22 ASN A 131 0.413 16.362 2.989 1.00 0.95 H new ATOM 1546 N GLY A 132 -0.603 14.653 6.810 1.00 0.65 N ATOM 1547 CA GLY A 132 -1.973 14.254 7.171 1.00 0.61 C ATOM 1548 C GLY A 132 -2.890 14.116 5.954 1.00 0.55 C ATOM 1549 O GLY A 132 -4.108 14.007 6.080 1.00 0.56 O ATOM 0 H GLY A 132 0.018 13.866 6.624 1.00 0.65 H new ATOM 0 HA2 GLY A 132 -1.941 13.305 7.706 1.00 0.61 H new ATOM 0 HA3 GLY A 132 -2.393 14.991 7.855 1.00 0.61 H new ATOM 1553 N ASP A 133 -2.302 14.066 4.763 1.00 0.55 N ATOM 1554 CA ASP A 133 -2.980 13.878 3.485 1.00 0.56 C ATOM 1555 C ASP A 133 -3.484 12.436 3.289 1.00 0.51 C ATOM 1556 O ASP A 133 -4.249 12.183 2.358 1.00 0.61 O ATOM 1557 CB ASP A 133 -2.023 14.321 2.366 1.00 0.64 C ATOM 1558 CG ASP A 133 -2.329 15.716 1.828 1.00 0.75 C ATOM 1559 OD1 ASP A 133 -2.667 16.635 2.609 1.00 1.91 O ATOM 1560 OD2 ASP A 133 -2.274 15.906 0.592 1.00 1.86 O ATOM 0 H ASP A 133 -1.292 14.160 4.658 1.00 0.55 H new ATOM 0 HA ASP A 133 -3.880 14.493 3.460 1.00 0.56 H new ATOM 0 HB2 ASP A 133 -1.000 14.301 2.743 1.00 0.64 H new ATOM 0 HB3 ASP A 133 -2.076 13.604 1.547 1.00 0.64 H new ATOM 1565 N LEU A 134 -3.089 11.491 4.161 1.00 0.41 N ATOM 1566 CA LEU A 134 -3.631 10.126 4.148 1.00 0.37 C ATOM 1567 C LEU A 134 -5.007 10.089 4.813 1.00 0.37 C ATOM 1568 O LEU A 134 -5.882 9.318 4.446 1.00 0.43 O ATOM 1569 CB LEU A 134 -2.691 9.158 4.899 1.00 0.37 C ATOM 1570 CG LEU A 134 -1.252 9.083 4.373 1.00 0.39 C ATOM 1571 CD1 LEU A 134 -0.446 8.056 5.165 1.00 0.41 C ATOM 1572 CD2 LEU A 134 -1.195 8.713 2.896 1.00 0.40 C ATOM 0 H LEU A 134 -2.391 11.653 4.887 1.00 0.41 H new ATOM 0 HA LEU A 134 -3.718 9.815 3.107 1.00 0.37 H new ATOM 0 HB2 LEU A 134 -2.660 9.453 5.948 1.00 0.37 H new ATOM 0 HB3 LEU A 134 -3.124 8.158 4.861 1.00 0.37 H new ATOM 0 HG LEU A 134 -0.824 10.078 4.497 1.00 0.39 H new ATOM 0 HD11 LEU A 134 0.572 8.016 4.778 1.00 0.41 H new ATOM 0 HD12 LEU A 134 -0.424 8.343 6.216 1.00 0.41 H new ATOM 0 HD13 LEU A 134 -0.910 7.075 5.067 1.00 0.41 H new ATOM 0 HD21 LEU A 134 -0.155 8.673 2.571 1.00 0.40 H new ATOM 0 HD22 LEU A 134 -1.660 7.738 2.747 1.00 0.40 H new ATOM 0 HD23 LEU A 134 -1.729 9.463 2.312 1.00 0.40 H new ATOM 1584 N VAL A 135 -5.185 10.958 5.800 1.00 0.39 N ATOM 1585 CA VAL A 135 -6.316 11.034 6.727 1.00 0.42 C ATOM 1586 C VAL A 135 -7.557 11.534 5.991 1.00 0.45 C ATOM 1587 O VAL A 135 -8.656 11.037 6.191 1.00 0.50 O ATOM 1588 CB VAL A 135 -5.920 11.985 7.864 1.00 0.47 C ATOM 1589 CG1 VAL A 135 -6.821 11.880 9.075 1.00 0.55 C ATOM 1590 CG2 VAL A 135 -4.559 11.553 8.403 1.00 0.48 C ATOM 0 H VAL A 135 -4.494 11.683 5.991 1.00 0.39 H new ATOM 0 HA VAL A 135 -6.555 10.053 7.137 1.00 0.42 H new ATOM 0 HB VAL A 135 -5.959 12.988 7.439 1.00 0.47 H new ATOM 0 HG11 VAL A 135 -6.485 12.579 9.841 1.00 0.55 H new ATOM 0 HG12 VAL A 135 -7.845 12.120 8.789 1.00 0.55 H new ATOM 0 HG13 VAL A 135 -6.784 10.865 9.469 1.00 0.55 H new ATOM 0 HG21 VAL A 135 -4.261 12.218 9.213 1.00 0.48 H new ATOM 0 HG22 VAL A 135 -4.624 10.531 8.778 1.00 0.48 H new ATOM 0 HG23 VAL A 135 -3.819 11.600 7.604 1.00 0.48 H new ATOM 1600 N GLU A 136 -7.364 12.465 5.058 1.00 0.45 N ATOM 1601 CA GLU A 136 -8.407 12.950 4.153 1.00 0.50 C ATOM 1602 C GLU A 136 -8.769 11.901 3.096 1.00 0.48 C ATOM 1603 O GLU A 136 -9.943 11.714 2.776 1.00 0.58 O ATOM 1604 CB GLU A 136 -7.930 14.240 3.475 1.00 0.61 C ATOM 1605 CG GLU A 136 -7.443 15.302 4.462 1.00 1.11 C ATOM 1606 CD GLU A 136 -8.530 15.683 5.477 1.00 1.57 C ATOM 1607 OE1 GLU A 136 -9.662 16.026 5.056 1.00 2.01 O ATOM 1608 OE2 GLU A 136 -8.265 15.621 6.704 1.00 2.73 O ATOM 0 H GLU A 136 -6.460 12.913 4.906 1.00 0.45 H new ATOM 0 HA GLU A 136 -9.305 13.149 4.738 1.00 0.50 H new ATOM 0 HB2 GLU A 136 -7.123 14.001 2.783 1.00 0.61 H new ATOM 0 HB3 GLU A 136 -8.746 14.653 2.882 1.00 0.61 H new ATOM 0 HG2 GLU A 136 -6.566 14.930 4.992 1.00 1.11 H new ATOM 0 HG3 GLU A 136 -7.131 16.191 3.914 1.00 1.11 H new ATOM 1615 N GLU A 137 -7.773 11.168 2.602 1.00 0.45 N ATOM 1616 CA GLU A 137 -7.989 10.026 1.700 1.00 0.48 C ATOM 1617 C GLU A 137 -8.794 8.900 2.389 1.00 0.48 C ATOM 1618 O GLU A 137 -9.718 8.349 1.792 1.00 0.57 O ATOM 1619 CB GLU A 137 -6.632 9.523 1.165 1.00 0.51 C ATOM 1620 CG GLU A 137 -6.702 8.957 -0.266 1.00 0.79 C ATOM 1621 CD GLU A 137 -6.935 10.026 -1.350 1.00 0.72 C ATOM 1622 OE1 GLU A 137 -6.500 11.194 -1.188 1.00 2.15 O ATOM 1623 OE2 GLU A 137 -7.567 9.715 -2.390 1.00 1.77 O ATOM 0 H GLU A 137 -6.791 11.345 2.813 1.00 0.45 H new ATOM 0 HA GLU A 137 -8.590 10.357 0.853 1.00 0.48 H new ATOM 0 HB2 GLU A 137 -5.916 10.344 1.187 1.00 0.51 H new ATOM 0 HB3 GLU A 137 -6.252 8.751 1.834 1.00 0.51 H new ATOM 0 HG2 GLU A 137 -5.773 8.430 -0.483 1.00 0.79 H new ATOM 0 HG3 GLU A 137 -7.505 8.222 -0.316 1.00 0.79 H new ATOM 1630 N LEU A 138 -8.528 8.625 3.676 1.00 0.43 N ATOM 1631 CA LEU A 138 -9.304 7.682 4.495 1.00 0.43 C ATOM 1632 C LEU A 138 -10.762 8.143 4.692 1.00 0.45 C ATOM 1633 O LEU A 138 -11.675 7.313 4.667 1.00 0.50 O ATOM 1634 CB LEU A 138 -8.586 7.483 5.849 1.00 0.41 C ATOM 1635 CG LEU A 138 -7.299 6.634 5.795 1.00 0.44 C ATOM 1636 CD1 LEU A 138 -6.601 6.670 7.157 1.00 0.40 C ATOM 1637 CD2 LEU A 138 -7.557 5.169 5.443 1.00 0.50 C ATOM 0 H LEU A 138 -7.756 9.058 4.183 1.00 0.43 H new ATOM 0 HA LEU A 138 -9.359 6.728 3.970 1.00 0.43 H new ATOM 0 HB2 LEU A 138 -8.338 8.463 6.257 1.00 0.41 H new ATOM 0 HB3 LEU A 138 -9.282 7.014 6.545 1.00 0.41 H new ATOM 0 HG LEU A 138 -6.680 7.069 5.010 1.00 0.44 H new ATOM 0 HD11 LEU A 138 -5.692 6.070 7.116 1.00 0.40 H new ATOM 0 HD12 LEU A 138 -6.345 7.699 7.407 1.00 0.40 H new ATOM 0 HD13 LEU A 138 -7.268 6.267 7.919 1.00 0.40 H new ATOM 0 HD21 LEU A 138 -6.611 4.628 5.422 1.00 0.50 H new ATOM 0 HD22 LEU A 138 -8.212 4.725 6.192 1.00 0.50 H new ATOM 0 HD23 LEU A 138 -8.032 5.108 4.464 1.00 0.50 H new ATOM 1649 N LYS A 139 -11.006 9.457 4.811 1.00 0.48 N ATOM 1650 CA LYS A 139 -12.359 10.028 4.971 1.00 0.54 C ATOM 1651 C LYS A 139 -13.263 9.812 3.747 1.00 0.59 C ATOM 1652 O LYS A 139 -14.463 9.608 3.949 1.00 0.66 O ATOM 1653 CB LYS A 139 -12.282 11.508 5.399 1.00 0.68 C ATOM 1654 CG LYS A 139 -11.785 11.671 6.845 1.00 0.68 C ATOM 1655 CD LYS A 139 -11.368 13.119 7.151 1.00 0.70 C ATOM 1656 CE LYS A 139 -10.403 13.155 8.342 1.00 0.68 C ATOM 1657 NZ LYS A 139 -9.990 14.542 8.661 1.00 0.93 N ATOM 0 H LYS A 139 -10.268 10.161 4.799 1.00 0.48 H new ATOM 0 HA LYS A 139 -12.843 9.474 5.775 1.00 0.54 H new ATOM 0 HB2 LYS A 139 -11.615 12.045 4.725 1.00 0.68 H new ATOM 0 HB3 LYS A 139 -13.267 11.964 5.302 1.00 0.68 H new ATOM 0 HG2 LYS A 139 -12.572 11.367 7.535 1.00 0.68 H new ATOM 0 HG3 LYS A 139 -10.938 11.006 7.014 1.00 0.68 H new ATOM 0 HD2 LYS A 139 -10.892 13.560 6.275 1.00 0.70 H new ATOM 0 HD3 LYS A 139 -12.250 13.720 7.371 1.00 0.70 H new ATOM 0 HE2 LYS A 139 -10.881 12.706 9.213 1.00 0.68 H new ATOM 0 HE3 LYS A 139 -9.522 12.554 8.117 1.00 0.68 H new ATOM 0 HZ1 LYS A 139 -9.493 14.555 9.574 1.00 0.93 H new ATOM 0 HZ2 LYS A 139 -9.356 14.895 7.916 1.00 0.93 H new ATOM 0 HZ3 LYS A 139 -10.831 15.151 8.716 1.00 0.93 H new ATOM 1671 N LYS A 140 -12.719 9.737 2.517 1.00 0.61 N ATOM 1672 CA LYS A 140 -13.476 9.346 1.301 1.00 0.72 C ATOM 1673 C LYS A 140 -14.094 7.948 1.435 1.00 0.79 C ATOM 1674 O LYS A 140 -15.250 7.717 1.082 1.00 1.09 O ATOM 1675 CB LYS A 140 -12.563 9.337 0.059 1.00 0.90 C ATOM 1676 CG LYS A 140 -11.822 10.653 -0.205 1.00 1.01 C ATOM 1677 CD LYS A 140 -10.961 10.521 -1.469 1.00 1.37 C ATOM 1678 CE LYS A 140 -10.051 11.741 -1.605 1.00 1.46 C ATOM 1679 NZ LYS A 140 -9.373 11.777 -2.925 1.00 1.74 N ATOM 0 H LYS A 140 -11.738 9.946 2.333 1.00 0.61 H new ATOM 0 HA LYS A 140 -14.268 10.086 1.187 1.00 0.72 H new ATOM 0 HB2 LYS A 140 -11.829 8.539 0.171 1.00 0.90 H new ATOM 0 HB3 LYS A 140 -13.166 9.094 -0.816 1.00 0.90 H new ATOM 0 HG2 LYS A 140 -12.538 11.466 -0.325 1.00 1.01 H new ATOM 0 HG3 LYS A 140 -11.194 10.905 0.649 1.00 1.01 H new ATOM 0 HD2 LYS A 140 -10.361 9.612 -1.418 1.00 1.37 H new ATOM 0 HD3 LYS A 140 -11.600 10.433 -2.348 1.00 1.37 H new ATOM 0 HE2 LYS A 140 -10.639 12.650 -1.473 1.00 1.46 H new ATOM 0 HE3 LYS A 140 -9.303 11.727 -0.812 1.00 1.46 H new ATOM 0 HZ1 LYS A 140 -8.944 12.713 -3.070 1.00 1.74 H new ATOM 0 HZ2 LYS A 140 -8.632 11.048 -2.954 1.00 1.74 H new ATOM 0 HZ3 LYS A 140 -10.068 11.595 -3.677 1.00 1.74 H new ATOM 1693 N LEU A 141 -13.317 7.010 1.977 1.00 0.63 N ATOM 1694 CA LEU A 141 -13.662 5.610 2.186 1.00 0.63 C ATOM 1695 C LEU A 141 -14.550 5.346 3.413 1.00 0.65 C ATOM 1696 O LEU A 141 -14.866 4.187 3.698 1.00 0.84 O ATOM 1697 CB LEU A 141 -12.327 4.858 2.271 1.00 0.60 C ATOM 1698 CG LEU A 141 -11.611 4.686 0.921 1.00 0.77 C ATOM 1699 CD1 LEU A 141 -10.236 4.058 1.127 1.00 2.52 C ATOM 1700 CD2 LEU A 141 -12.454 3.793 0.012 1.00 1.94 C ATOM 0 H LEU A 141 -12.374 7.224 2.300 1.00 0.63 H new ATOM 0 HA LEU A 141 -14.279 5.261 1.358 1.00 0.63 H new ATOM 0 HB2 LEU A 141 -11.666 5.391 2.954 1.00 0.60 H new ATOM 0 HB3 LEU A 141 -12.505 3.873 2.703 1.00 0.60 H new ATOM 0 HG LEU A 141 -11.483 5.665 0.458 1.00 0.77 H new ATOM 0 HD11 LEU A 141 -9.741 3.942 0.163 1.00 2.52 H new ATOM 0 HD12 LEU A 141 -9.635 4.702 1.769 1.00 2.52 H new ATOM 0 HD13 LEU A 141 -10.349 3.081 1.597 1.00 2.52 H new ATOM 0 HD21 LEU A 141 -11.949 3.669 -0.946 1.00 1.94 H new ATOM 0 HD22 LEU A 141 -12.587 2.818 0.481 1.00 1.94 H new ATOM 0 HD23 LEU A 141 -13.429 4.254 -0.148 1.00 1.94 H new ATOM 1712 N GLY A 142 -14.915 6.391 4.163 1.00 0.59 N ATOM 1713 CA GLY A 142 -15.619 6.278 5.443 1.00 0.62 C ATOM 1714 C GLY A 142 -14.750 5.724 6.579 1.00 0.57 C ATOM 1715 O GLY A 142 -15.277 5.418 7.653 1.00 0.76 O ATOM 0 H GLY A 142 -14.726 7.356 3.892 1.00 0.59 H new ATOM 0 HA2 GLY A 142 -15.993 7.261 5.730 1.00 0.62 H new ATOM 0 HA3 GLY A 142 -16.487 5.632 5.314 1.00 0.62 H new ATOM 1719 N ILE A 143 -13.433 5.590 6.373 1.00 0.43 N ATOM 1720 CA ILE A 143 -12.500 5.078 7.378 1.00 0.44 C ATOM 1721 C ILE A 143 -12.140 6.183 8.375 1.00 0.40 C ATOM 1722 O ILE A 143 -11.934 7.350 8.019 1.00 0.44 O ATOM 1723 CB ILE A 143 -11.231 4.432 6.763 1.00 0.49 C ATOM 1724 CG1 ILE A 143 -11.562 3.343 5.715 1.00 0.57 C ATOM 1725 CG2 ILE A 143 -10.389 3.838 7.914 1.00 0.57 C ATOM 1726 CD1 ILE A 143 -10.368 2.864 4.869 1.00 0.70 C ATOM 0 H ILE A 143 -12.983 5.838 5.492 1.00 0.43 H new ATOM 0 HA ILE A 143 -13.010 4.274 7.908 1.00 0.44 H new ATOM 0 HB ILE A 143 -10.673 5.202 6.231 1.00 0.49 H new ATOM 0 HG12 ILE A 143 -11.990 2.483 6.231 1.00 0.57 H new ATOM 0 HG13 ILE A 143 -12.331 3.728 5.045 1.00 0.57 H new ATOM 0 HG21 ILE A 143 -9.489 3.377 7.506 1.00 0.57 H new ATOM 0 HG22 ILE A 143 -10.108 4.632 8.606 1.00 0.57 H new ATOM 0 HG23 ILE A 143 -10.975 3.086 8.442 1.00 0.57 H new ATOM 0 HD11 ILE A 143 -10.703 2.102 4.165 1.00 0.70 H new ATOM 0 HD12 ILE A 143 -9.950 3.707 4.319 1.00 0.70 H new ATOM 0 HD13 ILE A 143 -9.604 2.443 5.523 1.00 0.70 H new ATOM 1738 N HIS A 144 -12.041 5.786 9.635 1.00 0.52 N ATOM 1739 CA HIS A 144 -11.520 6.593 10.724 1.00 0.55 C ATOM 1740 C HIS A 144 -10.016 6.351 10.899 1.00 0.57 C ATOM 1741 O HIS A 144 -9.603 5.243 11.246 1.00 0.69 O ATOM 1742 CB HIS A 144 -12.315 6.220 11.976 1.00 0.74 C ATOM 1743 CG HIS A 144 -12.303 7.274 13.058 1.00 0.87 C ATOM 1744 ND1 HIS A 144 -12.708 8.583 12.922 1.00 1.29 N ATOM 1745 CD2 HIS A 144 -11.963 7.098 14.374 1.00 0.95 C ATOM 1746 CE1 HIS A 144 -12.598 9.188 14.111 1.00 1.39 C ATOM 1747 NE2 HIS A 144 -12.175 8.314 15.042 1.00 1.16 N ATOM 0 H HIS A 144 -12.333 4.856 9.937 1.00 0.52 H new ATOM 0 HA HIS A 144 -11.634 7.658 10.521 1.00 0.55 H new ATOM 0 HB2 HIS A 144 -13.348 6.021 11.690 1.00 0.74 H new ATOM 0 HB3 HIS A 144 -11.913 5.293 12.384 1.00 0.74 H new ATOM 0 HD2 HIS A 144 -11.597 6.185 14.819 1.00 0.95 H new ATOM 0 HE1 HIS A 144 -12.817 10.229 14.296 1.00 1.39 H new ATOM 0 HE2 HIS A 144 -12.036 8.498 16.036 1.00 1.16 H new ATOM 1755 N SER A 145 -9.190 7.380 10.687 1.00 0.51 N ATOM 1756 CA SER A 145 -7.819 7.396 11.187 1.00 0.56 C ATOM 1757 C SER A 145 -7.852 7.352 12.713 1.00 0.61 C ATOM 1758 O SER A 145 -8.250 8.314 13.346 1.00 0.84 O ATOM 1759 CB SER A 145 -7.140 8.676 10.684 1.00 0.53 C ATOM 1760 OG SER A 145 -5.995 8.996 11.456 1.00 0.59 O ATOM 0 H SER A 145 -9.453 8.217 10.168 1.00 0.51 H new ATOM 0 HA SER A 145 -7.256 6.533 10.830 1.00 0.56 H new ATOM 0 HB2 SER A 145 -6.852 8.550 9.640 1.00 0.53 H new ATOM 0 HB3 SER A 145 -7.848 9.504 10.722 1.00 0.53 H new ATOM 0 HG SER A 145 -5.251 8.414 11.194 1.00 0.59 H new ATOM 1766 N ALA A 146 -7.409 6.260 13.325 1.00 0.47 N ATOM 1767 CA ALA A 146 -7.450 6.025 14.775 1.00 0.48 C ATOM 1768 C ALA A 146 -6.706 7.084 15.622 1.00 0.56 C ATOM 1769 O ALA A 146 -6.896 7.168 16.836 1.00 0.74 O ATOM 1770 CB ALA A 146 -6.901 4.617 15.027 1.00 0.55 C ATOM 0 H ALA A 146 -6.995 5.482 12.812 1.00 0.47 H new ATOM 0 HA ALA A 146 -8.486 6.114 15.103 1.00 0.48 H new ATOM 0 HB1 ALA A 146 -6.916 4.407 16.096 1.00 0.55 H new ATOM 0 HB2 ALA A 146 -7.519 3.887 14.505 1.00 0.55 H new ATOM 0 HB3 ALA A 146 -5.877 4.555 14.659 1.00 0.55 H new ATOM 1776 N LEU A 147 -5.903 7.944 14.990 1.00 0.56 N ATOM 1777 CA LEU A 147 -5.260 9.120 15.561 1.00 0.66 C ATOM 1778 C LEU A 147 -6.284 10.201 15.981 1.00 0.93 C ATOM 1779 O LEU A 147 -6.018 11.020 16.861 1.00 1.36 O ATOM 1780 CB LEU A 147 -4.317 9.611 14.452 1.00 0.44 C ATOM 1781 CG LEU A 147 -3.301 8.591 13.895 1.00 0.43 C ATOM 1782 CD1 LEU A 147 -2.206 9.304 13.106 1.00 0.53 C ATOM 1783 CD2 LEU A 147 -2.632 7.761 14.986 1.00 0.65 C ATOM 0 H LEU A 147 -5.673 7.826 14.003 1.00 0.56 H new ATOM 0 HA LEU A 147 -4.725 8.889 16.482 1.00 0.66 H new ATOM 0 HB2 LEU A 147 -4.927 9.969 13.623 1.00 0.44 H new ATOM 0 HB3 LEU A 147 -3.762 10.468 14.834 1.00 0.44 H new ATOM 0 HG LEU A 147 -3.873 7.921 13.253 1.00 0.43 H new ATOM 0 HD11 LEU A 147 -1.498 8.570 12.721 1.00 0.53 H new ATOM 0 HD12 LEU A 147 -2.653 9.849 12.274 1.00 0.53 H new ATOM 0 HD13 LEU A 147 -1.684 10.003 13.759 1.00 0.53 H new ATOM 0 HD21 LEU A 147 -1.929 7.063 14.532 1.00 0.65 H new ATOM 0 HD22 LEU A 147 -2.098 8.421 15.669 1.00 0.65 H new ATOM 0 HD23 LEU A 147 -3.391 7.205 15.537 1.00 0.65 H new ATOM 1795 N LEU A 148 -7.486 10.158 15.395 1.00 0.82 N ATOM 1796 CA LEU A 148 -8.668 10.943 15.740 1.00 1.12 C ATOM 1797 C LEU A 148 -9.339 10.480 17.042 1.00 1.78 C ATOM 1798 O LEU A 148 -10.096 11.253 17.628 1.00 2.38 O ATOM 1799 CB LEU A 148 -9.665 10.828 14.591 1.00 0.77 C ATOM 1800 CG LEU A 148 -9.405 11.763 13.400 1.00 1.31 C ATOM 1801 CD1 LEU A 148 -9.901 13.185 13.674 1.00 3.03 C ATOM 1802 CD2 LEU A 148 -7.965 11.853 12.904 1.00 3.57 C ATOM 0 H LEU A 148 -7.667 9.529 14.613 1.00 0.82 H new ATOM 0 HA LEU A 148 -8.351 11.974 15.900 1.00 1.12 H new ATOM 0 HB2 LEU A 148 -9.663 9.799 14.231 1.00 0.77 H new ATOM 0 HB3 LEU A 148 -10.664 11.028 14.977 1.00 0.77 H new ATOM 0 HG LEU A 148 -9.975 11.283 12.604 1.00 1.31 H new ATOM 0 HD11 LEU A 148 -9.698 13.814 12.807 1.00 3.03 H new ATOM 0 HD12 LEU A 148 -10.974 13.166 13.865 1.00 3.03 H new ATOM 0 HD13 LEU A 148 -9.385 13.589 14.545 1.00 3.03 H new ATOM 0 HD21 LEU A 148 -7.913 12.543 12.062 1.00 3.57 H new ATOM 0 HD22 LEU A 148 -7.325 12.213 13.709 1.00 3.57 H new ATOM 0 HD23 LEU A 148 -7.627 10.867 12.586 1.00 3.57 H new ATOM 1814 N ASP A 149 -9.088 9.247 17.497 1.00 2.03 N ATOM 1815 CA ASP A 149 -9.850 8.569 18.562 1.00 3.05 C ATOM 1816 C ASP A 149 -9.222 8.674 19.962 1.00 3.34 C ATOM 1817 O ASP A 149 -9.570 7.927 20.881 1.00 3.99 O ATOM 1818 CB ASP A 149 -10.158 7.125 18.122 1.00 3.62 C ATOM 1819 CG ASP A 149 -11.382 6.493 18.796 1.00 4.84 C ATOM 1820 OD1 ASP A 149 -12.375 7.211 19.078 1.00 4.64 O ATOM 1821 OD2 ASP A 149 -11.420 5.244 18.929 1.00 6.27 O ATOM 0 H ASP A 149 -8.329 8.674 17.127 1.00 2.03 H new ATOM 0 HA ASP A 149 -10.793 9.101 18.689 1.00 3.05 H new ATOM 0 HB2 ASP A 149 -10.309 7.114 17.043 1.00 3.62 H new ATOM 0 HB3 ASP A 149 -9.286 6.504 18.328 1.00 3.62 H new ATOM 1826 N GLU A 150 -8.294 9.619 20.106 1.00 3.10 N ATOM 1827 CA GLU A 150 -7.523 9.917 21.330 1.00 3.68 C ATOM 1828 C GLU A 150 -7.359 11.414 21.633 1.00 3.63 C ATOM 1829 O GLU A 150 -7.293 11.773 22.830 1.00 4.44 O ATOM 1830 CB GLU A 150 -6.167 9.186 21.283 1.00 4.28 C ATOM 1831 CG GLU A 150 -5.314 9.486 20.036 1.00 3.52 C ATOM 1832 CD GLU A 150 -3.906 8.880 20.138 1.00 3.84 C ATOM 1833 OE1 GLU A 150 -3.202 9.088 21.158 1.00 4.31 O ATOM 1834 OE2 GLU A 150 -3.437 8.221 19.177 1.00 4.43 O ATOM 0 H GLU A 150 -8.040 10.236 19.334 1.00 3.10 H new ATOM 0 HA GLU A 150 -8.110 9.540 22.167 1.00 3.68 H new ATOM 0 HB2 GLU A 150 -5.594 9.455 22.171 1.00 4.28 H new ATOM 0 HB3 GLU A 150 -6.347 8.112 21.333 1.00 4.28 H new ATOM 0 HG2 GLU A 150 -5.815 9.091 19.152 1.00 3.52 H new ATOM 0 HG3 GLU A 150 -5.235 10.565 19.903 1.00 3.52 H new TER 1841 GLU A 150