USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 609 hydrogens (15 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 NoAdj-H: A 370 M2L HNA : A 370 M2L N : A 369 LEU C :(H bumps) USER MOD NoAdj-H: A 370 M2L HN : A 370 M2L N : A 369 LEU C :(H bumps) USER MOD Set 1.1: A 116 TYR OH : rot -15:sc= 0.563 USER MOD Set 1.2: A 141 ASN : amide:sc= 1.16 K(o=1.7,f=-9.6!) USER MOD Set 2.1: A 111 ASN : amide:sc= 0.651 X(o=0.99,f=0.75) USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= 0.342 USER MOD Single : A 84 SER OG : rot 180:sc= 0.524 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 1.05 K(o=1,f=-0.068) USER MOD Single : A 90 ASN : amide:sc= -0.0159 K(o=-0.016,f=-2!) USER MOD Single : A 92 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 96 SER OG : rot 43:sc= 1.06 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00503 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 12:sc= 1.27 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 150:sc= -0.033 USER MOD Single : A 126 GLN : amide:sc= 0.933 K(o=0.93,f=-0.38) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.788 K(o=0.79,f=-4.9!) USER MOD Single : A 134 LYS NZ :NH3+ 153:sc= 1.16 (180deg=0.657) USER MOD Single : A 137 SER OG : rot 91:sc= 1.06 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 145 ASN : amide:sc= 1.1 K(o=1.1,f=-9!) USER MOD Single : A 201 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 366 SER OG : rot 85:sc= 1.24 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 368 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 371 SER OG : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 84 2.460 -0.458 0.809 1.00 0.00 N ATOM 2 CA SER A 84 2.079 0.856 0.228 1.00 0.00 C ATOM 3 C SER A 84 1.280 0.663 -1.073 1.00 0.00 C ATOM 4 O SER A 84 1.506 -0.299 -1.810 1.00 0.00 O ATOM 5 CB SER A 84 3.322 1.743 0.020 1.00 0.00 C ATOM 6 OG SER A 84 3.968 1.971 1.271 1.00 0.00 O ATOM 0 HA SER A 84 1.429 1.375 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.012 1.262 -0.673 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.031 2.693 -0.428 1.00 0.00 H new ATOM 0 HG SER A 84 4.758 2.534 1.133 1.00 0.00 H new ATOM 12 N SER A 85 0.315 1.551 -1.346 1.00 0.00 N ATOM 13 CA SER A 85 -0.663 1.375 -2.424 1.00 0.00 C ATOM 14 C SER A 85 -0.054 1.480 -3.826 1.00 0.00 C ATOM 15 O SER A 85 -0.508 0.792 -4.738 1.00 0.00 O ATOM 16 CB SER A 85 -1.782 2.411 -2.235 1.00 0.00 C ATOM 17 OG SER A 85 -2.201 2.442 -0.872 1.00 0.00 O ATOM 0 H SER A 85 0.191 2.417 -0.821 1.00 0.00 H new ATOM 0 HA SER A 85 -1.058 0.361 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.429 3.397 -2.537 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.628 2.165 -2.877 1.00 0.00 H new ATOM 0 HG SER A 85 -2.913 3.107 -0.764 1.00 0.00 H new ATOM 23 N GLU A 86 0.955 2.339 -4.011 1.00 0.00 N ATOM 24 CA GLU A 86 1.624 2.648 -5.285 1.00 0.00 C ATOM 25 C GLU A 86 0.719 3.265 -6.375 1.00 0.00 C ATOM 26 O GLU A 86 1.244 3.750 -7.373 1.00 0.00 O ATOM 27 CB GLU A 86 2.410 1.430 -5.823 1.00 0.00 C ATOM 28 CG GLU A 86 3.436 0.841 -4.847 1.00 0.00 C ATOM 29 CD GLU A 86 4.494 1.868 -4.408 1.00 0.00 C ATOM 30 OE1 GLU A 86 5.460 2.112 -5.173 1.00 0.00 O ATOM 31 OE2 GLU A 86 4.369 2.436 -3.296 1.00 0.00 O ATOM 0 H GLU A 86 1.350 2.868 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 86 2.329 3.441 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.700 0.649 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.927 1.724 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.918 0.460 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.932 -0.008 -5.317 1.00 0.00 H new ATOM 38 N PHE A 87 -0.608 3.319 -6.193 1.00 0.00 N ATOM 39 CA PHE A 87 -1.559 4.059 -7.035 1.00 0.00 C ATOM 40 C PHE A 87 -1.491 3.699 -8.523 1.00 0.00 C ATOM 41 O PHE A 87 -1.633 4.562 -9.392 1.00 0.00 O ATOM 42 CB PHE A 87 -1.419 5.564 -6.762 1.00 0.00 C ATOM 43 CG PHE A 87 -1.297 5.899 -5.287 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.394 5.743 -4.418 1.00 0.00 C ATOM 45 CD2 PHE A 87 -0.072 6.366 -4.783 1.00 0.00 C ATOM 46 CE1 PHE A 87 -2.273 6.085 -3.061 1.00 0.00 C ATOM 47 CE2 PHE A 87 0.049 6.710 -3.428 1.00 0.00 C ATOM 48 CZ PHE A 87 -1.058 6.594 -2.573 1.00 0.00 C ATOM 0 H PHE A 87 -1.066 2.829 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.565 3.749 -6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.541 5.941 -7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.284 6.083 -7.175 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.330 5.360 -4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.780 6.461 -5.440 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.113 5.957 -2.394 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.994 7.064 -3.043 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.976 6.896 -1.539 1.00 0.00 H new ATOM 58 N GLN A 88 -1.245 2.418 -8.814 1.00 0.00 N ATOM 59 CA GLN A 88 -1.153 1.904 -10.174 1.00 0.00 C ATOM 60 C GLN A 88 -2.562 1.621 -10.739 1.00 0.00 C ATOM 61 O GLN A 88 -3.573 1.959 -10.118 1.00 0.00 O ATOM 62 CB GLN A 88 -0.255 0.641 -10.184 1.00 0.00 C ATOM 63 CG GLN A 88 1.141 0.802 -9.549 1.00 0.00 C ATOM 64 CD GLN A 88 2.068 1.738 -10.331 1.00 0.00 C ATOM 65 OE1 GLN A 88 2.478 1.436 -11.449 1.00 0.00 O ATOM 66 NE2 GLN A 88 2.421 2.884 -9.771 1.00 0.00 N ATOM 0 H GLN A 88 -1.103 1.704 -8.099 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.695 2.650 -10.823 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.780 -0.159 -9.662 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.128 0.317 -11.217 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.027 1.182 -8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.611 -0.179 -9.471 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.075 3.126 -8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.039 3.526 -10.268 1.00 0.00 H new ATOM 75 N ILE A 89 -2.644 1.014 -11.934 1.00 0.00 N ATOM 76 CA ILE A 89 -3.917 0.529 -12.485 1.00 0.00 C ATOM 77 C ILE A 89 -4.620 -0.337 -11.428 1.00 0.00 C ATOM 78 O ILE A 89 -3.974 -1.106 -10.710 1.00 0.00 O ATOM 79 CB ILE A 89 -3.719 -0.205 -13.837 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.121 0.777 -14.881 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.040 -0.803 -14.361 1.00 0.00 C ATOM 82 CD1 ILE A 89 -2.899 0.187 -16.279 1.00 0.00 C ATOM 0 H ILE A 89 -1.839 0.848 -12.538 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.561 1.378 -12.715 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.028 -1.032 -13.675 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.784 1.638 -14.968 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.167 1.146 -14.504 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.859 -1.309 -15.310 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.428 -1.519 -13.636 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.768 -0.005 -14.508 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.479 0.951 -16.934 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.209 -0.654 -16.214 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.851 -0.155 -16.685 1.00 0.00 H new ATOM 94 N ASN A 90 -5.952 -0.226 -11.378 1.00 0.00 N ATOM 95 CA ASN A 90 -6.840 -0.888 -10.430 1.00 0.00 C ATOM 96 C ASN A 90 -6.577 -0.490 -8.970 1.00 0.00 C ATOM 97 O ASN A 90 -6.994 -1.203 -8.057 1.00 0.00 O ATOM 98 CB ASN A 90 -6.921 -2.419 -10.660 1.00 0.00 C ATOM 99 CG ASN A 90 -7.641 -2.794 -11.954 1.00 0.00 C ATOM 100 OD1 ASN A 90 -8.672 -2.219 -12.290 1.00 0.00 O ATOM 101 ND2 ASN A 90 -7.128 -3.755 -12.709 1.00 0.00 N ATOM 0 H ASN A 90 -6.463 0.362 -12.037 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.841 -0.511 -10.639 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -5.912 -2.831 -10.680 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.437 -2.880 -9.818 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.590 -4.023 -13.578 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.271 -4.227 -12.421 1.00 0.00 H new ATOM 108 N GLU A 91 -5.943 0.662 -8.726 1.00 0.00 N ATOM 109 CA GLU A 91 -5.777 1.247 -7.396 1.00 0.00 C ATOM 110 C GLU A 91 -6.256 2.708 -7.423 1.00 0.00 C ATOM 111 O GLU A 91 -6.599 3.247 -8.479 1.00 0.00 O ATOM 112 CB GLU A 91 -4.309 1.068 -6.957 1.00 0.00 C ATOM 113 CG GLU A 91 -3.975 1.492 -5.520 1.00 0.00 C ATOM 114 CD GLU A 91 -4.895 0.836 -4.475 1.00 0.00 C ATOM 115 OE1 GLU A 91 -4.600 -0.293 -4.016 1.00 0.00 O ATOM 116 OE2 GLU A 91 -5.917 1.470 -4.117 1.00 0.00 O ATOM 0 H GLU A 91 -5.523 1.224 -9.466 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.389 0.742 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.042 0.018 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.676 1.637 -7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.940 1.231 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.055 2.576 -5.438 1.00 0.00 H new ATOM 123 N GLN A 92 -6.359 3.318 -6.246 1.00 0.00 N ATOM 124 CA GLN A 92 -6.891 4.654 -5.992 1.00 0.00 C ATOM 125 C GLN A 92 -6.035 5.758 -6.626 1.00 0.00 C ATOM 126 O GLN A 92 -4.810 5.659 -6.672 1.00 0.00 O ATOM 127 CB GLN A 92 -6.953 4.871 -4.469 1.00 0.00 C ATOM 128 CG GLN A 92 -8.143 4.126 -3.853 1.00 0.00 C ATOM 129 CD GLN A 92 -7.959 3.852 -2.361 1.00 0.00 C ATOM 130 OE1 GLN A 92 -8.418 4.606 -1.504 1.00 0.00 O ATOM 131 NE2 GLN A 92 -7.283 2.765 -2.028 1.00 0.00 N ATOM 0 H GLN A 92 -6.053 2.862 -5.387 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.881 4.715 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.027 4.524 -4.011 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.036 5.936 -4.253 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.050 4.712 -4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.285 3.181 -4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.911 2.153 -2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.134 2.538 -1.045 1.00 0.00 H new ATOM 140 N VAL A 93 -6.692 6.849 -7.010 1.00 0.00 N ATOM 141 CA VAL A 93 -6.135 8.114 -7.473 1.00 0.00 C ATOM 142 C VAL A 93 -7.116 9.234 -7.123 1.00 0.00 C ATOM 143 O VAL A 93 -8.278 8.980 -6.797 1.00 0.00 O ATOM 144 CB VAL A 93 -5.889 8.109 -8.999 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.527 7.478 -9.329 1.00 0.00 C ATOM 146 CG2 VAL A 93 -7.040 7.488 -9.808 1.00 0.00 C ATOM 0 H VAL A 93 -7.712 6.871 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.174 8.268 -6.983 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.861 9.152 -9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.375 7.485 -10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.734 8.050 -8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.505 6.450 -8.966 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.797 7.519 -10.870 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.185 6.453 -9.499 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.956 8.051 -9.629 1.00 0.00 H new ATOM 156 N LEU A 94 -6.648 10.474 -7.186 1.00 0.00 N ATOM 157 CA LEU A 94 -7.477 11.662 -7.130 1.00 0.00 C ATOM 158 C LEU A 94 -7.700 12.012 -8.590 1.00 0.00 C ATOM 159 O LEU A 94 -6.727 12.085 -9.341 1.00 0.00 O ATOM 160 CB LEU A 94 -6.722 12.820 -6.457 1.00 0.00 C ATOM 161 CG LEU A 94 -6.708 12.790 -4.922 1.00 0.00 C ATOM 162 CD1 LEU A 94 -5.831 13.942 -4.432 1.00 0.00 C ATOM 163 CD2 LEU A 94 -8.110 12.932 -4.311 1.00 0.00 C ATOM 0 H LEU A 94 -5.654 10.682 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.395 11.497 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.692 12.816 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.168 13.760 -6.782 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.319 11.822 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.805 13.942 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.819 13.819 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.242 14.888 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.038 12.904 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.548 13.881 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.741 12.112 -4.654 1.00 0.00 H new ATOM 175 N ALA A 95 -8.945 12.241 -8.999 1.00 0.00 N ATOM 176 CA ALA A 95 -9.289 12.585 -10.367 1.00 0.00 C ATOM 177 C ALA A 95 -10.366 13.661 -10.360 1.00 0.00 C ATOM 178 O ALA A 95 -11.233 13.666 -9.485 1.00 0.00 O ATOM 179 CB ALA A 95 -9.797 11.339 -11.098 1.00 0.00 C ATOM 0 H ALA A 95 -9.752 12.191 -8.377 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.407 12.963 -10.883 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.055 11.599 -12.125 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.018 10.576 -11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.680 10.953 -10.589 1.00 0.00 H new ATOM 185 N SER A 96 -10.312 14.568 -11.332 1.00 0.00 N ATOM 186 CA SER A 96 -11.281 15.644 -11.463 1.00 0.00 C ATOM 187 C SER A 96 -12.641 15.068 -11.867 1.00 0.00 C ATOM 188 O SER A 96 -12.772 14.471 -12.938 1.00 0.00 O ATOM 189 CB SER A 96 -10.750 16.683 -12.455 1.00 0.00 C ATOM 190 OG SER A 96 -9.928 17.602 -11.759 1.00 0.00 O ATOM 0 H SER A 96 -9.590 14.574 -12.053 1.00 0.00 H new ATOM 0 HA SER A 96 -11.426 16.152 -10.510 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.182 16.193 -13.246 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.578 17.205 -12.934 1.00 0.00 H new ATOM 0 HG SER A 96 -9.348 17.116 -11.137 1.00 0.00 H new ATOM 196 N TRP A 97 -13.636 15.219 -10.989 1.00 0.00 N ATOM 197 CA TRP A 97 -15.014 14.791 -11.226 1.00 0.00 C ATOM 198 C TRP A 97 -15.750 15.807 -12.099 1.00 0.00 C ATOM 199 O TRP A 97 -15.293 16.942 -12.255 1.00 0.00 O ATOM 200 CB TRP A 97 -15.736 14.504 -9.913 1.00 0.00 C ATOM 201 CG TRP A 97 -16.959 13.630 -9.982 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.168 12.571 -10.797 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.168 13.728 -9.182 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.404 12.009 -10.541 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.052 12.662 -9.518 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.583 14.605 -8.170 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.267 12.455 -8.841 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.790 14.410 -7.473 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.627 13.329 -7.798 1.00 0.00 C ATOM 0 H TRP A 97 -13.502 15.651 -10.075 1.00 0.00 H new ATOM 0 HA TRP A 97 -14.999 13.851 -11.778 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.025 14.038 -9.230 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -16.025 15.457 -9.470 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.470 12.216 -11.540 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -18.788 11.211 -11.047 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.961 15.451 -7.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -20.915 11.637 -9.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -20.074 15.093 -6.686 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.543 13.169 -7.249 1.00 0.00 H new ATOM 220 N SER A 98 -16.894 15.411 -12.665 1.00 0.00 N ATOM 221 CA SER A 98 -17.781 16.299 -13.418 1.00 0.00 C ATOM 222 C SER A 98 -18.245 17.509 -12.583 1.00 0.00 C ATOM 223 O SER A 98 -18.568 18.559 -13.143 1.00 0.00 O ATOM 224 CB SER A 98 -18.996 15.500 -13.908 1.00 0.00 C ATOM 225 OG SER A 98 -18.593 14.272 -14.513 1.00 0.00 O ATOM 0 H SER A 98 -17.234 14.451 -12.611 1.00 0.00 H new ATOM 0 HA SER A 98 -17.221 16.693 -14.266 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.662 15.295 -13.070 1.00 0.00 H new ATOM 0 HB3 SER A 98 -19.561 16.095 -14.626 1.00 0.00 H new ATOM 0 HG SER A 98 -19.385 13.781 -14.815 1.00 0.00 H new ATOM 231 N ASP A 99 -18.246 17.387 -11.248 1.00 0.00 N ATOM 232 CA ASP A 99 -18.513 18.478 -10.300 1.00 0.00 C ATOM 233 C ASP A 99 -17.390 19.538 -10.250 1.00 0.00 C ATOM 234 O ASP A 99 -17.518 20.547 -9.551 1.00 0.00 O ATOM 235 CB ASP A 99 -18.719 17.875 -8.914 1.00 0.00 C ATOM 236 CG ASP A 99 -19.197 18.908 -7.880 1.00 0.00 C ATOM 237 OD1 ASP A 99 -20.274 19.523 -8.074 1.00 0.00 O ATOM 238 OD2 ASP A 99 -18.486 19.092 -6.862 1.00 0.00 O ATOM 0 H ASP A 99 -18.055 16.499 -10.784 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.407 19.000 -10.642 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.449 17.068 -8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.783 17.432 -8.573 1.00 0.00 H new ATOM 243 N SER A 100 -16.300 19.303 -10.988 1.00 0.00 N ATOM 244 CA SER A 100 -15.029 20.027 -10.996 1.00 0.00 C ATOM 245 C SER A 100 -14.180 19.692 -9.761 1.00 0.00 C ATOM 246 O SER A 100 -14.700 19.300 -8.712 1.00 0.00 O ATOM 247 CB SER A 100 -15.205 21.543 -11.221 1.00 0.00 C ATOM 248 OG SER A 100 -15.993 21.801 -12.383 1.00 0.00 O ATOM 0 H SER A 100 -16.286 18.531 -11.654 1.00 0.00 H new ATOM 0 HA SER A 100 -14.468 19.675 -11.862 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.681 21.991 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.228 22.014 -11.328 1.00 0.00 H new ATOM 0 HG SER A 100 -16.092 22.769 -12.503 1.00 0.00 H new ATOM 254 N ARG A 101 -12.864 19.894 -9.891 1.00 0.00 N ATOM 255 CA ARG A 101 -11.790 19.478 -8.981 1.00 0.00 C ATOM 256 C ARG A 101 -11.840 18.011 -8.529 1.00 0.00 C ATOM 257 O ARG A 101 -12.705 17.226 -8.921 1.00 0.00 O ATOM 258 CB ARG A 101 -11.525 20.488 -7.846 1.00 0.00 C ATOM 259 CG ARG A 101 -12.498 20.471 -6.651 1.00 0.00 C ATOM 260 CD ARG A 101 -13.500 21.632 -6.725 1.00 0.00 C ATOM 261 NE ARG A 101 -14.419 21.640 -5.570 1.00 0.00 N ATOM 262 CZ ARG A 101 -15.627 21.062 -5.512 1.00 0.00 C ATOM 263 NH1 ARG A 101 -16.076 20.334 -6.524 1.00 0.00 N ATOM 264 NH2 ARG A 101 -16.394 21.219 -4.435 1.00 0.00 N ATOM 0 H ARG A 101 -12.493 20.392 -10.700 1.00 0.00 H new ATOM 0 HA ARG A 101 -10.894 19.504 -9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.519 20.313 -7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.534 21.490 -8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -13.037 19.524 -6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.934 20.534 -5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.958 22.577 -6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -14.076 21.556 -7.647 1.00 0.00 H new ATOM 0 HE ARG A 101 -14.104 22.133 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -15.501 20.209 -7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -16.997 19.898 -6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -16.063 21.781 -3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.313 20.778 -4.394 1.00 0.00 H new ATOM 278 N PHE A 102 -10.813 17.631 -7.770 1.00 0.00 N ATOM 279 CA PHE A 102 -10.531 16.251 -7.425 1.00 0.00 C ATOM 280 C PHE A 102 -11.517 15.636 -6.440 1.00 0.00 C ATOM 281 O PHE A 102 -12.011 16.291 -5.522 1.00 0.00 O ATOM 282 CB PHE A 102 -9.092 16.135 -6.897 1.00 0.00 C ATOM 283 CG PHE A 102 -8.009 16.621 -7.853 1.00 0.00 C ATOM 284 CD1 PHE A 102 -8.186 16.499 -9.241 1.00 0.00 C ATOM 285 CD2 PHE A 102 -6.820 17.202 -7.368 1.00 0.00 C ATOM 286 CE1 PHE A 102 -7.224 16.969 -10.136 1.00 0.00 C ATOM 287 CE2 PHE A 102 -5.831 17.646 -8.273 1.00 0.00 C ATOM 288 CZ PHE A 102 -6.029 17.510 -9.660 1.00 0.00 C ATOM 0 H PHE A 102 -10.145 18.292 -7.373 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.646 15.674 -8.343 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.016 16.701 -5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.895 15.092 -6.651 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.083 16.033 -9.622 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.665 17.308 -6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.405 16.914 -11.199 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -4.920 18.091 -7.900 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.261 17.822 -10.352 1.00 0.00 H new ATOM 298 N TYR A 103 -11.691 14.329 -6.622 1.00 0.00 N ATOM 299 CA TYR A 103 -12.377 13.367 -5.781 1.00 0.00 C ATOM 300 C TYR A 103 -11.582 12.057 -5.900 1.00 0.00 C ATOM 301 O TYR A 103 -10.821 11.913 -6.862 1.00 0.00 O ATOM 302 CB TYR A 103 -13.795 13.147 -6.327 1.00 0.00 C ATOM 303 CG TYR A 103 -14.790 14.245 -6.026 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.881 15.367 -6.866 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.628 14.141 -4.905 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.848 16.358 -6.637 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.600 15.123 -4.661 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.722 16.236 -5.525 1.00 0.00 C ATOM 309 OH TYR A 103 -17.691 17.154 -5.245 1.00 0.00 O ATOM 0 H TYR A 103 -11.312 13.876 -7.453 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.445 13.706 -4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.733 13.024 -7.408 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.180 12.211 -5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.199 15.468 -7.697 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.525 13.305 -4.230 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.927 17.206 -7.301 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -17.258 15.029 -3.810 1.00 0.00 H new ATOM 0 HH TYR A 103 -17.798 17.760 -6.008 1.00 0.00 H new ATOM 319 N PRO A 104 -11.740 11.085 -4.988 1.00 0.00 N ATOM 320 CA PRO A 104 -11.132 9.769 -5.151 1.00 0.00 C ATOM 321 C PRO A 104 -11.804 8.997 -6.302 1.00 0.00 C ATOM 322 O PRO A 104 -13.015 9.095 -6.508 1.00 0.00 O ATOM 323 CB PRO A 104 -11.290 9.100 -3.778 1.00 0.00 C ATOM 324 CG PRO A 104 -12.558 9.734 -3.205 1.00 0.00 C ATOM 325 CD PRO A 104 -12.490 11.160 -3.741 1.00 0.00 C ATOM 0 HA PRO A 104 -10.080 9.807 -5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.390 8.018 -3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.426 9.287 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.457 9.217 -3.541 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.566 9.711 -2.115 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.489 11.561 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.997 11.822 -3.029 1.00 0.00 H new ATOM 333 N ALA A 105 -11.012 8.193 -7.012 1.00 0.00 N ATOM 334 CA ALA A 105 -11.411 7.351 -8.135 1.00 0.00 C ATOM 335 C ALA A 105 -10.421 6.189 -8.255 1.00 0.00 C ATOM 336 O ALA A 105 -9.346 6.222 -7.660 1.00 0.00 O ATOM 337 CB ALA A 105 -11.396 8.191 -9.416 1.00 0.00 C ATOM 0 H ALA A 105 -10.017 8.109 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.415 6.955 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.693 7.570 -10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.093 9.023 -9.314 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.391 8.578 -9.585 1.00 0.00 H new ATOM 343 N LYS A 106 -10.761 5.168 -9.037 1.00 0.00 N ATOM 344 CA LYS A 106 -9.926 3.999 -9.309 1.00 0.00 C ATOM 345 C LYS A 106 -9.302 4.194 -10.691 1.00 0.00 C ATOM 346 O LYS A 106 -10.014 4.562 -11.621 1.00 0.00 O ATOM 347 CB LYS A 106 -10.855 2.772 -9.237 1.00 0.00 C ATOM 348 CG LYS A 106 -10.176 1.420 -9.499 1.00 0.00 C ATOM 349 CD LYS A 106 -11.155 0.272 -9.185 1.00 0.00 C ATOM 350 CE LYS A 106 -10.510 -1.103 -9.411 1.00 0.00 C ATOM 351 NZ LYS A 106 -11.435 -2.220 -9.063 1.00 0.00 N ATOM 0 H LYS A 106 -11.660 5.130 -9.518 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.113 3.860 -8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.316 2.743 -8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.659 2.903 -9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.854 1.361 -10.539 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.282 1.326 -8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.489 0.352 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.040 0.366 -9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.208 -1.194 -10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.605 -1.182 -8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.959 -3.130 -9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.703 -2.149 -8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.288 -2.161 -9.655 1.00 0.00 H new ATOM 365 N VAL A 107 -8.001 3.958 -10.856 1.00 0.00 N ATOM 366 CA VAL A 107 -7.366 3.961 -12.176 1.00 0.00 C ATOM 367 C VAL A 107 -7.898 2.768 -12.955 1.00 0.00 C ATOM 368 O VAL A 107 -7.905 1.656 -12.426 1.00 0.00 O ATOM 369 CB VAL A 107 -5.833 3.845 -12.057 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.143 3.909 -13.430 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.210 4.952 -11.215 1.00 0.00 C ATOM 0 H VAL A 107 -7.361 3.761 -10.087 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.595 4.898 -12.683 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.676 2.878 -11.578 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.064 3.824 -13.299 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.499 3.090 -14.055 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.376 4.859 -13.910 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.130 4.812 -11.171 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.432 5.920 -11.664 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.621 4.917 -10.206 1.00 0.00 H new ATOM 381 N THR A 108 -8.226 2.965 -14.227 1.00 0.00 N ATOM 382 CA THR A 108 -8.560 1.882 -15.136 1.00 0.00 C ATOM 383 C THR A 108 -7.498 1.770 -16.246 1.00 0.00 C ATOM 384 O THR A 108 -7.196 0.654 -16.669 1.00 0.00 O ATOM 385 CB THR A 108 -9.994 2.077 -15.644 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.165 3.391 -16.137 1.00 0.00 O ATOM 387 CG2 THR A 108 -11.014 1.897 -14.514 1.00 0.00 C ATOM 0 H THR A 108 -8.267 3.889 -14.657 1.00 0.00 H new ATOM 0 HA THR A 108 -8.541 0.920 -14.624 1.00 0.00 H new ATOM 0 HB THR A 108 -10.155 1.334 -16.425 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.084 3.502 -16.460 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.021 2.042 -14.906 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.926 0.892 -14.101 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.821 2.629 -13.730 1.00 0.00 H new ATOM 395 N ALA A 109 -6.887 2.883 -16.685 1.00 0.00 N ATOM 396 CA ALA A 109 -5.713 2.878 -17.560 1.00 0.00 C ATOM 397 C ALA A 109 -4.868 4.128 -17.333 1.00 0.00 C ATOM 398 O ALA A 109 -5.336 5.109 -16.757 1.00 0.00 O ATOM 399 CB ALA A 109 -6.126 2.746 -19.034 1.00 0.00 C ATOM 0 H ALA A 109 -7.202 3.821 -16.437 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.104 2.010 -17.309 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.236 2.745 -19.663 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.672 1.814 -19.177 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.764 3.586 -19.310 1.00 0.00 H new ATOM 405 N VAL A 110 -3.637 4.096 -17.835 1.00 0.00 N ATOM 406 CA VAL A 110 -2.690 5.204 -17.848 1.00 0.00 C ATOM 407 C VAL A 110 -1.979 5.098 -19.202 1.00 0.00 C ATOM 408 O VAL A 110 -1.686 3.983 -19.650 1.00 0.00 O ATOM 409 CB VAL A 110 -1.701 5.074 -16.665 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.774 6.296 -16.561 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.406 4.908 -15.311 1.00 0.00 C ATOM 0 H VAL A 110 -3.255 3.254 -18.265 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.172 6.175 -17.731 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.123 4.175 -16.881 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -0.095 6.167 -15.718 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.197 6.394 -17.481 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.372 7.195 -16.410 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.660 4.822 -14.521 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.038 5.776 -15.121 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.021 4.008 -15.329 1.00 0.00 H new ATOM 421 N ASN A 111 -1.709 6.231 -19.859 1.00 0.00 N ATOM 422 CA ASN A 111 -1.230 6.272 -21.240 1.00 0.00 C ATOM 423 C ASN A 111 -0.015 7.190 -21.280 1.00 0.00 C ATOM 424 O ASN A 111 -0.119 8.362 -20.905 1.00 0.00 O ATOM 425 CB ASN A 111 -2.317 6.824 -22.185 1.00 0.00 C ATOM 426 CG ASN A 111 -3.659 6.093 -22.140 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.723 4.867 -22.079 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.761 6.831 -22.166 1.00 0.00 N ATOM 0 H ASN A 111 -1.819 7.154 -19.440 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.976 5.265 -21.570 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.486 7.873 -21.943 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.938 6.790 -23.206 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.676 6.382 -22.135 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.693 7.847 -22.217 1.00 0.00 H new ATOM 435 N LYS A 112 1.128 6.686 -21.761 1.00 0.00 N ATOM 436 CA LYS A 112 2.404 7.416 -21.765 1.00 0.00 C ATOM 437 C LYS A 112 2.334 8.721 -22.572 1.00 0.00 C ATOM 438 O LYS A 112 3.110 9.640 -22.309 1.00 0.00 O ATOM 439 CB LYS A 112 3.509 6.471 -22.276 1.00 0.00 C ATOM 440 CG LYS A 112 4.954 6.998 -22.182 1.00 0.00 C ATOM 441 CD LYS A 112 5.399 7.310 -20.741 1.00 0.00 C ATOM 442 CE LYS A 112 6.853 7.798 -20.646 1.00 0.00 C ATOM 443 NZ LYS A 112 7.858 6.746 -20.964 1.00 0.00 N ATOM 0 H LYS A 112 1.195 5.751 -22.163 1.00 0.00 H new ATOM 0 HA LYS A 112 2.638 7.726 -20.747 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.448 5.538 -21.716 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.299 6.231 -23.318 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.631 6.259 -22.611 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.043 7.901 -22.786 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.740 8.070 -20.321 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.283 6.415 -20.130 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.991 8.638 -21.327 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.037 8.171 -19.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.815 7.144 -20.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.753 5.953 -20.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.708 6.405 -21.935 1.00 0.00 H new ATOM 457 N ASP A 113 1.390 8.824 -23.516 1.00 0.00 N ATOM 458 CA ASP A 113 1.125 10.051 -24.279 1.00 0.00 C ATOM 459 C ASP A 113 0.813 11.247 -23.368 1.00 0.00 C ATOM 460 O ASP A 113 1.123 12.387 -23.724 1.00 0.00 O ATOM 461 CB ASP A 113 -0.042 9.819 -25.241 1.00 0.00 C ATOM 462 CG ASP A 113 -0.323 11.074 -26.086 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.496 11.390 -26.984 1.00 0.00 O ATOM 464 OD2 ASP A 113 -1.359 11.745 -25.864 1.00 0.00 O ATOM 0 H ASP A 113 0.781 8.048 -23.775 1.00 0.00 H new ATOM 0 HA ASP A 113 2.030 10.291 -24.837 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.185 8.979 -25.897 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.935 9.550 -24.676 1.00 0.00 H new ATOM 469 N GLY A 114 0.250 10.997 -22.178 1.00 0.00 N ATOM 470 CA GLY A 114 -0.015 12.004 -21.154 1.00 0.00 C ATOM 471 C GLY A 114 -1.450 11.956 -20.635 1.00 0.00 C ATOM 472 O GLY A 114 -1.946 12.974 -20.146 1.00 0.00 O ATOM 0 H GLY A 114 -0.040 10.060 -21.898 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.673 11.858 -20.321 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.185 12.994 -21.564 1.00 0.00 H new ATOM 476 N THR A 115 -2.145 10.824 -20.770 1.00 0.00 N ATOM 477 CA THR A 115 -3.567 10.715 -20.464 1.00 0.00 C ATOM 478 C THR A 115 -3.814 9.554 -19.498 1.00 0.00 C ATOM 479 O THR A 115 -2.923 8.755 -19.195 1.00 0.00 O ATOM 480 CB THR A 115 -4.402 10.690 -21.763 1.00 0.00 C ATOM 481 OG1 THR A 115 -3.991 9.635 -22.611 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.266 11.995 -22.553 1.00 0.00 C ATOM 0 H THR A 115 -1.730 9.952 -21.098 1.00 0.00 H new ATOM 0 HA THR A 115 -3.913 11.602 -19.932 1.00 0.00 H new ATOM 0 HB THR A 115 -5.438 10.552 -21.454 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.536 9.639 -23.426 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.869 11.936 -23.459 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.611 12.828 -21.941 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.221 12.150 -22.822 1.00 0.00 H new ATOM 490 N TYR A 116 -5.032 9.491 -18.977 1.00 0.00 N ATOM 491 CA TYR A 116 -5.469 8.643 -17.887 1.00 0.00 C ATOM 492 C TYR A 116 -6.880 8.173 -18.194 1.00 0.00 C ATOM 493 O TYR A 116 -7.631 8.888 -18.858 1.00 0.00 O ATOM 494 CB TYR A 116 -5.532 9.510 -16.615 1.00 0.00 C ATOM 495 CG TYR A 116 -4.427 9.278 -15.614 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.524 8.214 -14.697 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.309 10.127 -15.587 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.536 8.039 -13.713 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.322 9.963 -14.601 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.441 8.928 -13.651 1.00 0.00 C ATOM 501 OH TYR A 116 -1.495 8.795 -12.681 1.00 0.00 O ATOM 0 H TYR A 116 -5.790 10.073 -19.333 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.795 7.797 -17.757 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.516 10.559 -16.911 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.488 9.332 -16.122 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.359 7.531 -14.750 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.208 10.908 -16.326 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.614 7.226 -13.006 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.473 10.629 -14.571 1.00 0.00 H new ATOM 0 HH TYR A 116 -1.831 8.205 -11.975 1.00 0.00 H new ATOM 511 N THR A 117 -7.275 7.051 -17.609 1.00 0.00 N ATOM 512 CA THR A 117 -8.648 6.590 -17.619 1.00 0.00 C ATOM 513 C THR A 117 -8.928 6.180 -16.181 1.00 0.00 C ATOM 514 O THR A 117 -8.081 5.554 -15.530 1.00 0.00 O ATOM 515 CB THR A 117 -8.855 5.448 -18.630 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.150 5.706 -19.841 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.338 5.275 -18.977 1.00 0.00 C ATOM 0 H THR A 117 -6.639 6.430 -17.109 1.00 0.00 H new ATOM 0 HA THR A 117 -9.347 7.360 -17.947 1.00 0.00 H new ATOM 0 HB THR A 117 -8.476 4.540 -18.160 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.295 4.967 -20.468 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.452 4.461 -19.693 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.899 5.043 -18.072 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.720 6.198 -19.413 1.00 0.00 H new ATOM 525 N VAL A 118 -10.078 6.582 -15.658 1.00 0.00 N ATOM 526 CA VAL A 118 -10.441 6.338 -14.273 1.00 0.00 C ATOM 527 C VAL A 118 -11.917 5.985 -14.211 1.00 0.00 C ATOM 528 O VAL A 118 -12.698 6.373 -15.085 1.00 0.00 O ATOM 529 CB VAL A 118 -10.121 7.571 -13.395 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.614 7.825 -13.233 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.776 8.855 -13.926 1.00 0.00 C ATOM 0 H VAL A 118 -10.788 7.089 -16.187 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.856 5.506 -13.881 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.540 7.324 -12.420 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.458 8.703 -12.607 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.147 6.958 -12.765 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.166 7.994 -14.212 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.520 9.690 -13.274 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.415 9.058 -14.934 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.859 8.729 -13.947 1.00 0.00 H new ATOM 541 N LYS A 119 -12.299 5.299 -13.137 1.00 0.00 N ATOM 542 CA LYS A 119 -13.670 4.965 -12.795 1.00 0.00 C ATOM 543 C LYS A 119 -13.946 5.553 -11.423 1.00 0.00 C ATOM 544 O LYS A 119 -13.150 5.348 -10.510 1.00 0.00 O ATOM 545 CB LYS A 119 -13.799 3.433 -12.813 1.00 0.00 C ATOM 546 CG LYS A 119 -15.146 2.912 -12.292 1.00 0.00 C ATOM 547 CD LYS A 119 -15.252 1.392 -12.493 1.00 0.00 C ATOM 548 CE LYS A 119 -16.625 0.886 -12.020 1.00 0.00 C ATOM 549 NZ LYS A 119 -16.792 -0.579 -12.227 1.00 0.00 N ATOM 0 H LYS A 119 -11.628 4.947 -12.454 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.397 5.371 -13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.655 3.079 -13.834 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.998 3.004 -12.211 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.251 3.153 -11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.962 3.411 -12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.109 1.147 -13.545 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.460 0.889 -11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.750 1.117 -10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.410 1.418 -12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.732 -0.872 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.700 -0.799 -13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.060 -1.091 -11.694 1.00 0.00 H new ATOM 563 N PHE A 120 -15.057 6.262 -11.262 1.00 0.00 N ATOM 564 CA PHE A 120 -15.533 6.684 -9.951 1.00 0.00 C ATOM 565 C PHE A 120 -16.423 5.563 -9.418 1.00 0.00 C ATOM 566 O PHE A 120 -17.098 4.884 -10.193 1.00 0.00 O ATOM 567 CB PHE A 120 -16.293 8.015 -10.057 1.00 0.00 C ATOM 568 CG PHE A 120 -15.420 9.171 -10.507 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.705 9.943 -9.568 1.00 0.00 C ATOM 570 CD2 PHE A 120 -15.324 9.472 -11.878 1.00 0.00 C ATOM 571 CE1 PHE A 120 -13.894 11.004 -10.005 1.00 0.00 C ATOM 572 CE2 PHE A 120 -14.513 10.533 -12.309 1.00 0.00 C ATOM 573 CZ PHE A 120 -13.791 11.294 -11.375 1.00 0.00 C ATOM 0 H PHE A 120 -15.652 6.560 -12.035 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.703 6.858 -9.266 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -17.119 7.899 -10.758 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.729 8.254 -9.087 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.781 9.719 -8.514 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -15.875 8.886 -12.599 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.349 11.597 -9.286 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.444 10.765 -13.362 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.157 12.102 -11.710 1.00 0.00 H new ATOM 583 N TYR A 121 -16.451 5.384 -8.097 1.00 0.00 N ATOM 584 CA TYR A 121 -17.077 4.229 -7.441 1.00 0.00 C ATOM 585 C TYR A 121 -18.586 4.117 -7.710 1.00 0.00 C ATOM 586 O TYR A 121 -19.143 3.018 -7.642 1.00 0.00 O ATOM 587 CB TYR A 121 -16.786 4.289 -5.934 1.00 0.00 C ATOM 588 CG TYR A 121 -15.327 4.568 -5.624 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.364 3.551 -5.757 1.00 0.00 C ATOM 590 CD2 TYR A 121 -14.932 5.855 -5.214 1.00 0.00 C ATOM 591 CE1 TYR A 121 -13.004 3.826 -5.521 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.574 6.141 -4.991 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.600 5.126 -5.156 1.00 0.00 C ATOM 594 OH TYR A 121 -11.275 5.369 -4.971 1.00 0.00 O ATOM 0 H TYR A 121 -16.035 6.045 -7.441 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.639 3.328 -7.871 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.403 5.065 -5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -17.075 3.343 -5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -14.670 2.555 -6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.675 6.626 -5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.270 3.040 -5.620 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.273 7.135 -4.694 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.079 6.302 -5.197 1.00 0.00 H new ATOM 604 N ASP A 122 -19.250 5.236 -8.034 1.00 0.00 N ATOM 605 CA ASP A 122 -20.669 5.251 -8.409 1.00 0.00 C ATOM 606 C ASP A 122 -20.937 4.488 -9.714 1.00 0.00 C ATOM 607 O ASP A 122 -22.009 3.901 -9.866 1.00 0.00 O ATOM 608 CB ASP A 122 -21.152 6.697 -8.547 1.00 0.00 C ATOM 609 CG ASP A 122 -22.632 6.749 -8.972 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.516 6.484 -8.121 1.00 0.00 O ATOM 611 OD2 ASP A 122 -22.912 7.063 -10.155 1.00 0.00 O ATOM 0 H ASP A 122 -18.815 6.159 -8.043 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.221 4.745 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -21.024 7.218 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.541 7.219 -9.283 1.00 0.00 H new ATOM 616 N GLY A 123 -19.964 4.460 -10.638 1.00 0.00 N ATOM 617 CA GLY A 123 -20.037 3.715 -11.894 1.00 0.00 C ATOM 618 C GLY A 123 -19.556 4.515 -13.109 1.00 0.00 C ATOM 619 O GLY A 123 -19.324 3.922 -14.164 1.00 0.00 O ATOM 0 H GLY A 123 -19.087 4.968 -10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.437 2.809 -11.805 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.067 3.400 -12.061 1.00 0.00 H new ATOM 623 N VAL A 124 -19.426 5.842 -12.994 1.00 0.00 N ATOM 624 CA VAL A 124 -18.974 6.715 -14.081 1.00 0.00 C ATOM 625 C VAL A 124 -17.523 6.369 -14.441 1.00 0.00 C ATOM 626 O VAL A 124 -16.716 6.086 -13.555 1.00 0.00 O ATOM 627 CB VAL A 124 -19.150 8.196 -13.653 1.00 0.00 C ATOM 628 CG1 VAL A 124 -18.706 9.192 -14.736 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.618 8.514 -13.305 1.00 0.00 C ATOM 0 H VAL A 124 -19.635 6.345 -12.132 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.574 6.562 -14.978 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.512 8.312 -12.777 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -18.854 10.210 -14.376 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.651 9.037 -14.963 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.298 9.036 -15.638 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.704 9.560 -13.010 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.246 8.330 -14.176 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -20.943 7.877 -12.482 1.00 0.00 H new ATOM 639 N VAL A 125 -17.178 6.446 -15.728 1.00 0.00 N ATOM 640 CA VAL A 125 -15.834 6.221 -16.257 1.00 0.00 C ATOM 641 C VAL A 125 -15.536 7.376 -17.223 1.00 0.00 C ATOM 642 O VAL A 125 -16.452 7.865 -17.894 1.00 0.00 O ATOM 643 CB VAL A 125 -15.766 4.838 -16.956 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.361 4.510 -17.486 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.176 3.686 -16.023 1.00 0.00 C ATOM 0 H VAL A 125 -17.854 6.676 -16.457 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.084 6.205 -15.466 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.469 4.920 -17.785 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.372 3.531 -17.965 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.060 5.266 -18.212 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.653 4.500 -16.658 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.111 2.741 -16.562 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.508 3.660 -15.162 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.200 3.840 -15.683 1.00 0.00 H new ATOM 655 N GLN A 126 -14.274 7.819 -17.298 1.00 0.00 N ATOM 656 CA GLN A 126 -13.850 8.878 -18.217 1.00 0.00 C ATOM 657 C GLN A 126 -12.382 8.703 -18.603 1.00 0.00 C ATOM 658 O GLN A 126 -11.610 8.121 -17.837 1.00 0.00 O ATOM 659 CB GLN A 126 -14.083 10.261 -17.567 1.00 0.00 C ATOM 660 CG GLN A 126 -13.303 10.490 -16.255 1.00 0.00 C ATOM 661 CD GLN A 126 -13.487 11.892 -15.658 1.00 0.00 C ATOM 662 OE1 GLN A 126 -14.356 12.666 -16.049 1.00 0.00 O ATOM 663 NE2 GLN A 126 -12.655 12.240 -14.686 1.00 0.00 N ATOM 0 H GLN A 126 -13.518 7.451 -16.721 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.446 8.813 -19.127 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -13.804 11.036 -18.281 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.148 10.380 -17.368 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.620 9.749 -15.521 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.242 10.321 -16.440 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -11.938 11.587 -14.371 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -12.732 13.161 -14.254 1.00 0.00 H new ATOM 672 N THR A 127 -11.995 9.276 -19.745 1.00 0.00 N ATOM 673 CA THR A 127 -10.604 9.410 -20.175 1.00 0.00 C ATOM 674 C THR A 127 -10.274 10.901 -20.045 1.00 0.00 C ATOM 675 O THR A 127 -11.067 11.749 -20.470 1.00 0.00 O ATOM 676 CB THR A 127 -10.410 8.888 -21.615 1.00 0.00 C ATOM 677 OG1 THR A 127 -11.083 7.651 -21.814 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.926 8.687 -21.944 1.00 0.00 C ATOM 0 H THR A 127 -12.659 9.669 -20.412 1.00 0.00 H new ATOM 0 HA THR A 127 -9.930 8.810 -19.563 1.00 0.00 H new ATOM 0 HB THR A 127 -10.832 9.645 -22.276 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.943 7.347 -22.735 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.826 8.319 -22.965 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.400 9.637 -21.848 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.495 7.962 -21.253 1.00 0.00 H new ATOM 686 N VAL A 128 -9.140 11.225 -19.425 1.00 0.00 N ATOM 687 CA VAL A 128 -8.758 12.577 -19.011 1.00 0.00 C ATOM 688 C VAL A 128 -7.230 12.733 -19.111 1.00 0.00 C ATOM 689 O VAL A 128 -6.533 11.795 -19.501 1.00 0.00 O ATOM 690 CB VAL A 128 -9.315 12.855 -17.589 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.810 13.200 -17.607 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.084 11.695 -16.601 1.00 0.00 C ATOM 0 H VAL A 128 -8.435 10.527 -19.188 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.193 13.326 -19.673 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.747 13.717 -17.239 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.153 13.386 -16.589 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.970 14.092 -18.213 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.370 12.367 -18.032 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.498 11.958 -15.628 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.575 10.796 -16.974 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.015 11.509 -16.502 1.00 0.00 H new ATOM 702 N LYS A 129 -6.689 13.912 -18.801 1.00 0.00 N ATOM 703 CA LYS A 129 -5.266 14.230 -18.962 1.00 0.00 C ATOM 704 C LYS A 129 -4.522 14.037 -17.642 1.00 0.00 C ATOM 705 O LYS A 129 -5.138 13.973 -16.581 1.00 0.00 O ATOM 706 CB LYS A 129 -5.128 15.679 -19.470 1.00 0.00 C ATOM 707 CG LYS A 129 -5.786 15.851 -20.846 1.00 0.00 C ATOM 708 CD LYS A 129 -5.613 17.288 -21.369 1.00 0.00 C ATOM 709 CE LYS A 129 -6.355 17.547 -22.693 1.00 0.00 C ATOM 710 NZ LYS A 129 -5.740 16.864 -23.864 1.00 0.00 N ATOM 0 H LYS A 129 -7.235 14.687 -18.425 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.820 13.554 -19.692 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.588 16.362 -18.756 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.073 15.946 -19.533 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.346 15.148 -21.553 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.847 15.611 -20.777 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -5.974 17.988 -20.615 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.551 17.491 -21.510 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -7.389 17.216 -22.591 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -6.381 18.620 -22.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.289 17.081 -24.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -4.762 17.197 -23.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.739 15.836 -23.705 1.00 0.00 H new ATOM 724 N HIS A 130 -3.186 14.030 -17.687 1.00 0.00 N ATOM 725 CA HIS A 130 -2.338 14.055 -16.492 1.00 0.00 C ATOM 726 C HIS A 130 -2.687 15.237 -15.580 1.00 0.00 C ATOM 727 O HIS A 130 -2.770 15.058 -14.369 1.00 0.00 O ATOM 728 CB HIS A 130 -0.860 14.070 -16.916 1.00 0.00 C ATOM 729 CG HIS A 130 0.127 14.352 -15.801 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.272 15.141 -15.942 1.00 0.00 N ATOM 731 CD2 HIS A 130 0.056 13.898 -14.512 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.859 15.153 -14.732 1.00 0.00 C ATOM 733 NE2 HIS A 130 1.152 14.418 -13.855 1.00 0.00 N ATOM 0 H HIS A 130 -2.659 14.007 -18.560 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.521 13.154 -15.906 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.616 13.105 -17.360 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.729 14.822 -17.694 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.707 13.259 -14.092 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.772 15.680 -14.497 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.386 14.270 -12.873 1.00 0.00 H new ATOM 741 N ILE A 131 -2.989 16.420 -16.132 1.00 0.00 N ATOM 742 CA ILE A 131 -3.398 17.578 -15.324 1.00 0.00 C ATOM 743 C ILE A 131 -4.696 17.340 -14.526 1.00 0.00 C ATOM 744 O ILE A 131 -5.000 18.128 -13.628 1.00 0.00 O ATOM 745 CB ILE A 131 -3.483 18.867 -16.175 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.443 18.725 -17.375 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.070 19.268 -16.631 1.00 0.00 C ATOM 748 CD1 ILE A 131 -4.808 20.062 -18.031 1.00 0.00 C ATOM 0 H ILE A 131 -2.958 16.601 -17.135 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.611 17.716 -14.583 1.00 0.00 H new ATOM 0 HB ILE A 131 -3.901 19.657 -15.552 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -3.984 18.077 -18.122 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.356 18.232 -17.042 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.125 20.176 -17.231 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.443 19.448 -15.758 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.639 18.464 -17.228 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.485 19.884 -18.866 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.296 20.705 -17.299 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.903 20.548 -18.395 1.00 0.00 H new ATOM 760 N HIS A 132 -5.460 16.282 -14.822 1.00 0.00 N ATOM 761 CA HIS A 132 -6.739 16.005 -14.181 1.00 0.00 C ATOM 762 C HIS A 132 -6.650 14.872 -13.151 1.00 0.00 C ATOM 763 O HIS A 132 -7.650 14.621 -12.476 1.00 0.00 O ATOM 764 CB HIS A 132 -7.781 15.629 -15.245 1.00 0.00 C ATOM 765 CG HIS A 132 -7.974 16.631 -16.359 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.158 16.297 -17.702 1.00 0.00 N ATOM 767 CD2 HIS A 132 -7.998 17.988 -16.232 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.299 17.464 -18.349 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.211 18.495 -17.492 1.00 0.00 N ATOM 0 H HIS A 132 -5.199 15.589 -15.523 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.033 16.912 -13.654 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.494 14.674 -15.686 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.740 15.476 -14.749 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -7.874 18.554 -15.320 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.461 17.561 -19.412 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.289 19.483 -17.734 1.00 0.00 H new ATOM 777 N VAL A 133 -5.529 14.146 -13.055 1.00 0.00 N ATOM 778 CA VAL A 133 -5.404 12.954 -12.201 1.00 0.00 C ATOM 779 C VAL A 133 -4.023 12.870 -11.535 1.00 0.00 C ATOM 780 O VAL A 133 -3.000 13.110 -12.170 1.00 0.00 O ATOM 781 CB VAL A 133 -5.696 11.665 -13.012 1.00 0.00 C ATOM 782 CG1 VAL A 133 -5.792 10.423 -12.110 1.00 0.00 C ATOM 783 CG2 VAL A 133 -7.001 11.748 -13.815 1.00 0.00 C ATOM 0 H VAL A 133 -4.677 14.369 -13.570 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.146 13.044 -11.408 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.852 11.574 -13.695 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -5.998 9.544 -12.721 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.849 10.284 -11.580 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.597 10.559 -11.388 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.152 10.817 -14.362 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.837 11.909 -13.135 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -6.942 12.577 -14.520 1.00 0.00 H new ATOM 793 N LYS A 134 -3.981 12.451 -10.265 1.00 0.00 N ATOM 794 CA LYS A 134 -2.738 12.152 -9.543 1.00 0.00 C ATOM 795 C LYS A 134 -2.981 11.067 -8.493 1.00 0.00 C ATOM 796 O LYS A 134 -4.107 10.609 -8.354 1.00 0.00 O ATOM 797 CB LYS A 134 -2.135 13.454 -8.976 1.00 0.00 C ATOM 798 CG LYS A 134 -3.025 14.162 -7.940 1.00 0.00 C ATOM 799 CD LYS A 134 -2.338 15.437 -7.434 1.00 0.00 C ATOM 800 CE LYS A 134 -3.157 16.102 -6.318 1.00 0.00 C ATOM 801 NZ LYS A 134 -2.497 17.334 -5.792 1.00 0.00 N ATOM 0 H LYS A 134 -4.820 12.308 -9.702 1.00 0.00 H new ATOM 0 HA LYS A 134 -1.993 11.742 -10.225 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.173 13.226 -8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -1.940 14.140 -9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.987 14.412 -8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.226 13.492 -7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.342 15.194 -7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.209 16.136 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.147 16.356 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.301 15.393 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.219 17.980 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -1.832 17.076 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -1.980 17.806 -6.561 1.00 0.00 H new ATOM 815 N ALA A 135 -1.946 10.637 -7.768 1.00 0.00 N ATOM 816 CA ALA A 135 -2.056 9.666 -6.681 1.00 0.00 C ATOM 817 C ALA A 135 -2.975 10.185 -5.568 1.00 0.00 C ATOM 818 O ALA A 135 -3.299 11.372 -5.532 1.00 0.00 O ATOM 819 CB ALA A 135 -0.645 9.414 -6.130 1.00 0.00 C ATOM 0 H ALA A 135 -0.991 10.961 -7.924 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.492 8.740 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.696 8.692 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.009 9.022 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.227 10.350 -5.759 1.00 0.00 H new ATOM 825 N PHE A 136 -3.369 9.313 -4.626 1.00 0.00 N ATOM 826 CA PHE A 136 -4.044 9.802 -3.419 1.00 0.00 C ATOM 827 C PHE A 136 -3.058 10.586 -2.534 1.00 0.00 C ATOM 828 O PHE A 136 -3.481 11.380 -1.692 1.00 0.00 O ATOM 829 CB PHE A 136 -4.750 8.676 -2.654 1.00 0.00 C ATOM 830 CG PHE A 136 -5.775 9.205 -1.666 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.908 9.901 -2.136 1.00 0.00 C ATOM 832 CD2 PHE A 136 -5.599 9.015 -0.280 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.835 10.443 -1.230 1.00 0.00 C ATOM 834 CE2 PHE A 136 -6.542 9.537 0.625 1.00 0.00 C ATOM 835 CZ PHE A 136 -7.652 10.256 0.150 1.00 0.00 C ATOM 0 H PHE A 136 -3.237 8.303 -4.673 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.832 10.489 -3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -5.242 8.011 -3.363 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.008 8.081 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -7.064 10.018 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.742 8.470 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.685 11.001 -1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.412 9.385 1.686 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.367 10.666 0.848 1.00 0.00 H new ATOM 845 N SER A 137 -1.747 10.421 -2.756 1.00 0.00 N ATOM 846 CA SER A 137 -0.724 11.257 -2.158 1.00 0.00 C ATOM 847 C SER A 137 -0.916 12.690 -2.656 1.00 0.00 C ATOM 848 O SER A 137 -0.909 12.946 -3.862 1.00 0.00 O ATOM 849 CB SER A 137 0.656 10.735 -2.561 1.00 0.00 C ATOM 850 OG SER A 137 0.837 9.443 -2.024 1.00 0.00 O ATOM 0 H SER A 137 -1.374 9.692 -3.364 1.00 0.00 H new ATOM 0 HA SER A 137 -0.801 11.236 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.745 10.706 -3.647 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.433 11.406 -2.195 1.00 0.00 H new ATOM 0 HG SER A 137 0.522 8.774 -2.667 1.00 0.00 H new ATOM 856 N LYS A 138 -1.086 13.622 -1.712 1.00 0.00 N ATOM 857 CA LYS A 138 -1.412 15.015 -2.008 1.00 0.00 C ATOM 858 C LYS A 138 -0.353 15.681 -2.897 1.00 0.00 C ATOM 859 O LYS A 138 -0.705 16.479 -3.764 1.00 0.00 O ATOM 860 CB LYS A 138 -1.585 15.750 -0.667 1.00 0.00 C ATOM 861 CG LYS A 138 -1.971 17.232 -0.796 1.00 0.00 C ATOM 862 CD LYS A 138 -2.438 17.829 0.546 1.00 0.00 C ATOM 863 CE LYS A 138 -1.382 17.708 1.662 1.00 0.00 C ATOM 864 NZ LYS A 138 -1.800 18.407 2.906 1.00 0.00 N ATOM 0 H LYS A 138 -1.000 13.426 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.338 15.064 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.350 15.238 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -0.654 15.678 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -1.116 17.798 -1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -2.766 17.336 -1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -2.687 18.880 0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -3.352 17.326 0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -1.205 16.655 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -0.437 18.124 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -1.061 18.300 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -1.944 19.417 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -2.688 17.993 3.255 1.00 0.00 H new ATOM 878 N ASP A 139 0.926 15.358 -2.673 1.00 0.00 N ATOM 879 CA ASP A 139 2.061 16.060 -3.274 1.00 0.00 C ATOM 880 C ASP A 139 2.152 15.912 -4.799 1.00 0.00 C ATOM 881 O ASP A 139 1.930 16.893 -5.513 1.00 0.00 O ATOM 882 CB ASP A 139 3.363 15.607 -2.602 1.00 0.00 C ATOM 883 CG ASP A 139 4.590 16.309 -3.216 1.00 0.00 C ATOM 884 OD1 ASP A 139 4.639 17.561 -3.203 1.00 0.00 O ATOM 885 OD2 ASP A 139 5.504 15.607 -3.708 1.00 0.00 O ATOM 0 H ASP A 139 1.203 14.591 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 139 1.899 17.123 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 139 3.316 15.822 -1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.471 14.527 -2.706 1.00 0.00 H new ATOM 890 N GLN A 140 2.468 14.711 -5.310 1.00 0.00 N ATOM 891 CA GLN A 140 2.804 14.485 -6.720 1.00 0.00 C ATOM 892 C GLN A 140 2.395 13.076 -7.169 1.00 0.00 C ATOM 893 O GLN A 140 2.038 12.222 -6.359 1.00 0.00 O ATOM 894 CB GLN A 140 4.322 14.703 -6.933 1.00 0.00 C ATOM 895 CG GLN A 140 4.743 16.180 -6.996 1.00 0.00 C ATOM 896 CD GLN A 140 6.262 16.321 -7.119 1.00 0.00 C ATOM 897 OE1 GLN A 140 6.800 16.577 -8.195 1.00 0.00 O ATOM 898 NE2 GLN A 140 6.982 16.155 -6.023 1.00 0.00 N ATOM 0 H GLN A 140 2.497 13.861 -4.747 1.00 0.00 H new ATOM 0 HA GLN A 140 2.249 15.199 -7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.865 14.216 -6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.622 14.211 -7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.261 16.662 -7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.399 16.697 -6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.522 15.943 -5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 140 7.998 16.239 -6.063 1.00 0.00 H new ATOM 907 N ASN A 141 2.443 12.851 -8.487 1.00 0.00 N ATOM 908 CA ASN A 141 2.020 11.620 -9.159 1.00 0.00 C ATOM 909 C ASN A 141 3.070 10.509 -8.978 1.00 0.00 C ATOM 910 O ASN A 141 4.246 10.817 -8.776 1.00 0.00 O ATOM 911 CB ASN A 141 1.792 11.966 -10.648 1.00 0.00 C ATOM 912 CG ASN A 141 0.961 10.931 -11.388 1.00 0.00 C ATOM 913 OD1 ASN A 141 1.348 9.780 -11.480 1.00 0.00 O ATOM 914 ND2 ASN A 141 -0.185 11.286 -11.930 1.00 0.00 N ATOM 0 H ASN A 141 2.792 13.552 -9.141 1.00 0.00 H new ATOM 0 HA ASN A 141 1.097 11.236 -8.725 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.297 12.935 -10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.758 12.066 -11.142 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.749 10.597 -12.427 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -0.509 12.250 -11.853 1.00 0.00 H new ATOM 921 N ILE A 142 2.662 9.232 -9.061 1.00 0.00 N ATOM 922 CA ILE A 142 3.554 8.072 -8.908 1.00 0.00 C ATOM 923 C ILE A 142 3.244 6.954 -9.948 1.00 0.00 C ATOM 924 O ILE A 142 3.601 5.793 -9.736 1.00 0.00 O ATOM 925 CB ILE A 142 3.599 7.562 -7.432 1.00 0.00 C ATOM 926 CG1 ILE A 142 3.284 8.634 -6.359 1.00 0.00 C ATOM 927 CG2 ILE A 142 5.005 6.987 -7.153 1.00 0.00 C ATOM 928 CD1 ILE A 142 3.374 8.151 -4.905 1.00 0.00 C ATOM 0 H ILE A 142 1.691 8.974 -9.238 1.00 0.00 H new ATOM 0 HA ILE A 142 4.567 8.405 -9.134 1.00 0.00 H new ATOM 0 HB ILE A 142 2.812 6.812 -7.349 1.00 0.00 H new ATOM 0 HG12 ILE A 142 3.972 9.469 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.279 9.017 -6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 142 5.053 6.626 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 142 5.203 6.162 -7.837 1.00 0.00 H new ATOM 0 HG23 ILE A 142 5.753 7.767 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 142 3.136 8.975 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 142 2.666 7.338 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 142 4.384 7.797 -4.701 1.00 0.00 H new ATOM 940 N VAL A 143 2.587 7.263 -11.078 1.00 0.00 N ATOM 941 CA VAL A 143 2.443 6.326 -12.201 1.00 0.00 C ATOM 942 C VAL A 143 2.400 7.052 -13.559 1.00 0.00 C ATOM 943 O VAL A 143 3.134 6.658 -14.466 1.00 0.00 O ATOM 944 CB VAL A 143 1.247 5.365 -11.974 1.00 0.00 C ATOM 945 CG1 VAL A 143 -0.124 6.043 -11.981 1.00 0.00 C ATOM 946 CG2 VAL A 143 1.238 4.231 -13.005 1.00 0.00 C ATOM 0 H VAL A 143 2.142 8.167 -11.237 1.00 0.00 H new ATOM 0 HA VAL A 143 3.336 5.703 -12.238 1.00 0.00 H new ATOM 0 HB VAL A 143 1.407 4.971 -10.970 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.900 5.296 -11.815 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -0.164 6.790 -11.189 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.286 6.527 -12.944 1.00 0.00 H new ATOM 0 HG21 VAL A 143 0.387 3.576 -12.818 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.158 4.651 -14.008 1.00 0.00 H new ATOM 0 HG23 VAL A 143 2.162 3.658 -12.924 1.00 0.00 H new ATOM 956 N GLY A 144 1.615 8.130 -13.700 1.00 0.00 N ATOM 957 CA GLY A 144 1.650 8.989 -14.885 1.00 0.00 C ATOM 958 C GLY A 144 3.002 9.708 -14.988 1.00 0.00 C ATOM 959 O GLY A 144 3.511 9.942 -16.085 1.00 0.00 O ATOM 0 H GLY A 144 0.940 8.428 -12.995 1.00 0.00 H new ATOM 0 HA2 GLY A 144 1.481 8.391 -15.780 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.845 9.722 -14.834 1.00 0.00 H new ATOM 963 N ASN A 145 3.595 10.017 -13.832 1.00 0.00 N ATOM 964 CA ASN A 145 4.964 10.495 -13.638 1.00 0.00 C ATOM 965 C ASN A 145 5.399 9.884 -12.297 1.00 0.00 C ATOM 966 O ASN A 145 4.531 9.469 -11.528 1.00 0.00 O ATOM 967 CB ASN A 145 4.993 12.037 -13.643 1.00 0.00 C ATOM 968 CG ASN A 145 6.385 12.625 -13.872 1.00 0.00 C ATOM 969 OD1 ASN A 145 7.404 11.949 -13.758 1.00 0.00 O ATOM 970 ND2 ASN A 145 6.470 13.902 -14.202 1.00 0.00 N ATOM 0 H ASN A 145 3.096 9.934 -12.947 1.00 0.00 H new ATOM 0 HA ASN A 145 5.648 10.198 -14.433 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.322 12.402 -14.421 1.00 0.00 H new ATOM 0 HB3 ASN A 145 4.606 12.402 -12.691 1.00 0.00 H new ATOM 0 HD21 ASN A 145 7.383 14.328 -14.362 1.00 0.00 H new ATOM 0 HD22 ASN A 145 5.623 14.462 -14.296 1.00 0.00 H new ATOM 977 N ALA A 146 6.688 9.828 -11.969 1.00 0.00 N ATOM 978 CA ALA A 146 7.198 9.061 -10.827 1.00 0.00 C ATOM 979 C ALA A 146 7.944 9.948 -9.826 1.00 0.00 C ATOM 980 O ALA A 146 9.123 9.715 -9.547 1.00 0.00 O ATOM 981 CB ALA A 146 8.030 7.883 -11.353 1.00 0.00 C ATOM 0 H ALA A 146 7.416 10.316 -12.490 1.00 0.00 H new ATOM 0 HA ALA A 146 6.365 8.652 -10.256 1.00 0.00 H new ATOM 0 HB1 ALA A 146 8.415 7.305 -10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 146 7.404 7.245 -11.976 1.00 0.00 H new ATOM 0 HB3 ALA A 146 8.863 8.262 -11.945 1.00 0.00 H new ATOM 987 N ARG A 147 7.274 10.996 -9.319 1.00 0.00 N ATOM 988 CA ARG A 147 7.930 12.046 -8.522 1.00 0.00 C ATOM 989 C ARG A 147 7.400 12.145 -7.091 1.00 0.00 C ATOM 990 O ARG A 147 8.085 12.722 -6.243 1.00 0.00 O ATOM 991 CB ARG A 147 7.817 13.412 -9.232 1.00 0.00 C ATOM 992 CG ARG A 147 8.182 13.416 -10.725 1.00 0.00 C ATOM 993 CD ARG A 147 9.596 12.895 -11.010 1.00 0.00 C ATOM 994 NE ARG A 147 9.838 12.756 -12.460 1.00 0.00 N ATOM 995 CZ ARG A 147 11.005 12.913 -13.102 1.00 0.00 C ATOM 996 NH1 ARG A 147 12.118 13.219 -12.436 1.00 0.00 N ATOM 997 NH2 ARG A 147 11.052 12.760 -14.424 1.00 0.00 N ATOM 0 H ARG A 147 6.272 11.139 -9.448 1.00 0.00 H new ATOM 0 HA ARG A 147 8.979 11.759 -8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 147 6.794 13.773 -9.125 1.00 0.00 H new ATOM 0 HB3 ARG A 147 8.462 14.124 -8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 147 7.462 12.805 -11.269 1.00 0.00 H new ATOM 0 HG3 ARG A 147 8.093 14.432 -11.110 1.00 0.00 H new ATOM 0 HD2 ARG A 147 10.330 13.577 -10.581 1.00 0.00 H new ATOM 0 HD3 ARG A 147 9.735 11.930 -10.522 1.00 0.00 H new ATOM 0 HE ARG A 147 9.031 12.515 -13.035 1.00 0.00 H new ATOM 0 HH11 ARG A 147 12.090 13.337 -11.423 1.00 0.00 H new ATOM 0 HH12 ARG A 147 12.998 13.335 -12.939 1.00 0.00 H new ATOM 0 HH21 ARG A 147 10.204 12.525 -14.941 1.00 0.00 H new ATOM 0 HH22 ARG A 147 11.936 12.878 -14.920 1.00 0.00 H new ATOM 1011 N GLY A 200 6.208 11.610 -6.810 1.00 0.00 N ATOM 1012 CA GLY A 200 5.615 11.639 -5.480 1.00 0.00 C ATOM 1013 C GLY A 200 6.111 10.508 -4.592 1.00 0.00 C ATOM 1014 O GLY A 200 6.969 9.703 -4.967 1.00 0.00 O ATOM 0 H GLY A 200 5.628 11.143 -7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 200 5.842 12.594 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 200 4.530 11.577 -5.569 1.00 0.00 H new ATOM 1018 N SER A 201 5.528 10.495 -3.398 1.00 0.00 N ATOM 1019 CA SER A 201 5.904 9.695 -2.244 1.00 0.00 C ATOM 1020 C SER A 201 4.621 9.395 -1.456 1.00 0.00 C ATOM 1021 O SER A 201 3.586 10.018 -1.708 1.00 0.00 O ATOM 1022 CB SER A 201 6.886 10.536 -1.414 1.00 0.00 C ATOM 1023 OG SER A 201 8.142 10.667 -2.071 1.00 0.00 O ATOM 0 H SER A 201 4.722 11.088 -3.200 1.00 0.00 H new ATOM 0 HA SER A 201 6.379 8.752 -2.515 1.00 0.00 H new ATOM 0 HB2 SER A 201 6.462 11.524 -1.237 1.00 0.00 H new ATOM 0 HB3 SER A 201 7.031 10.072 -0.438 1.00 0.00 H new ATOM 0 HG SER A 201 8.745 11.208 -1.520 1.00 0.00 H new ATOM 1029 N ARG A 363 4.647 8.436 -0.527 1.00 0.00 N ATOM 1030 CA ARG A 363 3.471 8.054 0.262 1.00 0.00 C ATOM 1031 C ARG A 363 2.979 9.250 1.092 1.00 0.00 C ATOM 1032 O ARG A 363 3.726 9.771 1.925 1.00 0.00 O ATOM 1033 CB ARG A 363 3.832 6.827 1.119 1.00 0.00 C ATOM 1034 CG ARG A 363 2.694 6.359 2.041 1.00 0.00 C ATOM 1035 CD ARG A 363 3.010 4.968 2.610 1.00 0.00 C ATOM 1036 NE ARG A 363 2.107 4.609 3.720 1.00 0.00 N ATOM 1037 CZ ARG A 363 2.016 3.409 4.311 1.00 0.00 C ATOM 1038 NH1 ARG A 363 2.726 2.366 3.877 1.00 0.00 N ATOM 1039 NH2 ARG A 363 1.204 3.253 5.355 1.00 0.00 N ATOM 0 H ARG A 363 5.485 7.901 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 363 2.641 7.774 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 363 4.115 6.006 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 363 4.705 7.064 1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 363 2.560 7.071 2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 363 1.756 6.329 1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 363 2.925 4.224 1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 363 4.042 4.945 2.960 1.00 0.00 H new ATOM 0 HE ARG A 363 1.493 5.344 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 363 3.354 2.473 3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 363 2.641 1.462 4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 363 0.658 4.043 5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 363 1.128 2.344 5.811 1.00 0.00 H new ATOM 1053 N ALA A 364 1.729 9.657 0.870 1.00 0.00 N ATOM 1054 CA ALA A 364 0.992 10.690 1.600 1.00 0.00 C ATOM 1055 C ALA A 364 -0.509 10.381 1.442 1.00 0.00 C ATOM 1056 O ALA A 364 -0.878 9.328 0.914 1.00 0.00 O ATOM 1057 CB ALA A 364 1.367 12.080 1.051 1.00 0.00 C ATOM 0 H ALA A 364 1.166 9.246 0.125 1.00 0.00 H new ATOM 0 HA ALA A 364 1.244 10.695 2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 364 0.817 12.847 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 364 2.437 12.244 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 364 1.112 12.134 -0.007 1.00 0.00 H new ATOM 1063 N HIS A 365 -1.385 11.291 1.868 1.00 0.00 N ATOM 1064 CA HIS A 365 -2.839 11.154 1.731 1.00 0.00 C ATOM 1065 C HIS A 365 -3.489 12.532 1.605 1.00 0.00 C ATOM 1066 O HIS A 365 -2.811 13.553 1.769 1.00 0.00 O ATOM 1067 CB HIS A 365 -3.405 10.376 2.933 1.00 0.00 C ATOM 1068 CG HIS A 365 -3.179 11.061 4.262 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -3.968 12.087 4.797 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -2.167 10.778 5.135 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -3.403 12.402 5.978 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -2.325 11.631 6.206 1.00 0.00 N ATOM 0 H HIS A 365 -1.102 12.158 2.325 1.00 0.00 H new ATOM 0 HA HIS A 365 -3.066 10.593 0.824 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -4.475 10.229 2.788 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -2.948 9.387 2.962 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -1.395 10.033 5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -3.765 13.167 6.649 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -1.726 11.671 7.031 1.00 0.00 H new ATOM 1080 N SER A 366 -4.790 12.553 1.301 1.00 0.00 N ATOM 1081 CA SER A 366 -5.577 13.751 1.015 1.00 0.00 C ATOM 1082 C SER A 366 -6.956 13.658 1.698 1.00 0.00 C ATOM 1083 O SER A 366 -7.278 12.638 2.319 1.00 0.00 O ATOM 1084 CB SER A 366 -5.716 13.898 -0.509 1.00 0.00 C ATOM 1085 OG SER A 366 -4.451 13.905 -1.150 1.00 0.00 O ATOM 0 H SER A 366 -5.345 11.699 1.246 1.00 0.00 H new ATOM 0 HA SER A 366 -5.075 14.633 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 366 -6.319 13.079 -0.901 1.00 0.00 H new ATOM 0 HB3 SER A 366 -6.246 14.822 -0.739 1.00 0.00 H new ATOM 0 HG SER A 366 -4.162 12.983 -1.313 1.00 0.00 H new ATOM 1091 N SER A 367 -7.785 14.706 1.561 1.00 0.00 N ATOM 1092 CA SER A 367 -9.034 14.856 2.321 1.00 0.00 C ATOM 1093 C SER A 367 -10.264 15.130 1.434 1.00 0.00 C ATOM 1094 O SER A 367 -11.346 15.410 1.953 1.00 0.00 O ATOM 1095 CB SER A 367 -8.846 15.970 3.366 1.00 0.00 C ATOM 1096 OG SER A 367 -7.647 15.787 4.116 1.00 0.00 O ATOM 0 H SER A 367 -7.605 15.476 0.916 1.00 0.00 H new ATOM 0 HA SER A 367 -9.241 13.905 2.813 1.00 0.00 H new ATOM 0 HB2 SER A 367 -8.819 16.938 2.866 1.00 0.00 H new ATOM 0 HB3 SER A 367 -9.701 15.984 4.042 1.00 0.00 H new ATOM 0 HG SER A 367 -7.556 16.512 4.770 1.00 0.00 H new ATOM 1102 N HIS A 368 -10.139 15.030 0.101 1.00 0.00 N ATOM 1103 CA HIS A 368 -11.197 15.380 -0.863 1.00 0.00 C ATOM 1104 C HIS A 368 -12.219 14.236 -1.030 1.00 0.00 C ATOM 1105 O HIS A 368 -12.727 14.002 -2.129 1.00 0.00 O ATOM 1106 CB HIS A 368 -10.575 15.810 -2.207 1.00 0.00 C ATOM 1107 CG HIS A 368 -9.540 16.903 -2.076 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -9.769 18.178 -1.546 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -8.229 16.804 -2.451 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -8.587 18.813 -1.613 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -7.648 18.015 -2.148 1.00 0.00 N ATOM 0 H HIS A 368 -9.285 14.698 -0.346 1.00 0.00 H new ATOM 0 HA HIS A 368 -11.754 16.230 -0.468 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -10.115 14.941 -2.679 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -11.369 16.151 -2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -7.746 15.947 -2.896 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -8.415 19.827 -1.282 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -6.671 18.264 -2.303 1.00 0.00 H new ATOM 1119 N LEU A 369 -12.457 13.461 0.034 1.00 0.00 N ATOM 1120 CA LEU A 369 -13.390 12.334 0.054 1.00 0.00 C ATOM 1121 C LEU A 369 -14.835 12.825 -0.132 1.00 0.00 C ATOM 1122 O LEU A 369 -15.136 14.015 0.001 1.00 0.00 O ATOM 1123 CB LEU A 369 -13.264 11.558 1.385 1.00 0.00 C ATOM 1124 CG LEU A 369 -11.880 10.951 1.686 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -11.922 10.217 3.031 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -11.415 9.976 0.597 1.00 0.00 C ATOM 0 H LEU A 369 -11.991 13.607 0.930 1.00 0.00 H new ATOM 0 HA LEU A 369 -13.139 11.667 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -13.529 12.231 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -13.999 10.753 1.384 1.00 0.00 H new ATOM 0 HG LEU A 369 -11.168 11.776 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -10.942 9.788 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -12.189 10.919 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -12.665 9.421 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -10.435 9.578 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -12.129 9.157 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -11.350 10.500 -0.357 1.00 0.00 H new HETATM 1138 N M2L A 370 -15.744 11.879 -0.378 1.00 0.00 N HETATM 1139 CA M2L A 370 -17.173 12.110 -0.574 1.00 0.00 C HETATM 1140 CB M2L A 370 -17.522 11.763 -2.031 1.00 0.00 C HETATM 1141 SG M2L A 370 -17.117 10.313 -2.365 1.00 0.00 S HETATM 1142 CD M2L A 370 -16.819 10.054 -3.850 1.00 0.00 C HETATM 1143 CE M2L A 370 -18.100 10.123 -4.698 1.00 0.00 C HETATM 1144 NZ M2L A 370 -17.835 10.071 -6.166 1.00 0.00 N HETATM 1145 CM1 M2L A 370 -17.260 11.323 -6.748 1.00 0.00 C HETATM 1146 CM2 M2L A 370 -19.036 9.622 -6.934 1.00 0.00 C HETATM 1147 C M2L A 370 -17.987 11.273 0.417 1.00 0.00 C HETATM 1148 O M2L A 370 -17.451 10.381 1.076 1.00 0.00 O HETATM 0 HM2B M2L A 370 -19.327 8.624 -6.605 1.00 0.00 H new HETATM 0 HM2A M2L A 370 -19.859 10.315 -6.761 1.00 0.00 H new HETATM 0 HM1B M2L A 370 -17.950 12.151 -6.584 1.00 0.00 H new HETATM 0 HM1A M2L A 370 -16.308 11.544 -6.266 1.00 0.00 H new HETATM 0 HM2 M2L A 370 -18.800 9.598 -7.998 1.00 0.00 H new HETATM 0 HM1 M2L A 370 -17.103 11.188 -7.818 1.00 0.00 H new HETATM 0 HEA M2L A 370 -18.755 9.296 -4.424 1.00 0.00 H new HETATM 0 HE M2L A 370 -18.634 11.044 -4.464 1.00 0.00 H new HETATM 0 HDA M2L A 370 -16.101 10.789 -4.212 1.00 0.00 H new HETATM 0 HD M2L A 370 -16.357 9.073 -3.965 1.00 0.00 H new HETATM 0 HBA M2L A 370 -18.592 11.892 -2.193 1.00 0.00 H new HETATM 0 HB M2L A 370 -17.012 12.451 -2.705 1.00 0.00 H new HETATM 0 HA M2L A 370 -17.420 13.155 -0.387 1.00 0.00 H new ATOM 1164 N SER A 371 -19.295 11.544 0.508 1.00 0.00 N ATOM 1165 CA SER A 371 -20.214 10.883 1.437 1.00 0.00 C ATOM 1166 C SER A 371 -20.339 9.377 1.165 1.00 0.00 C ATOM 1167 O SER A 371 -20.536 8.593 2.094 1.00 0.00 O ATOM 1168 CB SER A 371 -21.588 11.562 1.346 1.00 0.00 C ATOM 1169 OG SER A 371 -21.467 12.982 1.414 1.00 0.00 O ATOM 0 H SER A 371 -19.752 12.245 -0.076 1.00 0.00 H new ATOM 0 HA SER A 371 -19.810 10.984 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 371 -22.075 11.280 0.412 1.00 0.00 H new ATOM 0 HB3 SER A 371 -22.225 11.209 2.157 1.00 0.00 H new ATOM 0 HG SER A 371 -22.356 13.389 1.352 1.00 0.00 H new ATOM 1175 N LYS A 372 -20.154 8.948 -0.096 1.00 0.00 N ATOM 1176 CA LYS A 372 -20.190 7.525 -0.464 1.00 0.00 C ATOM 1177 C LYS A 372 -19.052 6.745 0.208 1.00 0.00 C ATOM 1178 O LYS A 372 -19.207 5.555 0.485 1.00 0.00 O ATOM 1179 CB LYS A 372 -20.114 7.347 -1.993 1.00 0.00 C ATOM 1180 CG LYS A 372 -21.456 7.495 -2.730 1.00 0.00 C ATOM 1181 CD LYS A 372 -22.106 8.885 -2.631 1.00 0.00 C ATOM 1182 CE LYS A 372 -23.333 9.032 -3.552 1.00 0.00 C ATOM 1183 NZ LYS A 372 -24.485 8.179 -3.145 1.00 0.00 N ATOM 0 H LYS A 372 -19.977 9.574 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 372 -21.140 7.124 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 372 -19.413 8.078 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 372 -19.704 6.360 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 372 -21.303 7.257 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 372 -22.153 6.756 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 372 -22.406 9.069 -1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 372 -21.369 9.646 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 372 -23.648 10.075 -3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 372 -23.045 8.778 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 -25.276 8.325 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 -24.200 7.179 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 -24.785 8.436 -2.183 1.00 0.00 H new ATOM 1197 N LYS A 373 -17.912 7.400 0.468 1.00 0.00 N ATOM 1198 CA LYS A 373 -16.756 6.785 1.128 1.00 0.00 C ATOM 1199 C LYS A 373 -16.938 6.700 2.652 1.00 0.00 C ATOM 1200 O LYS A 373 -16.070 6.129 3.320 1.00 0.00 O ATOM 1201 CB LYS A 373 -15.463 7.554 0.783 1.00 0.00 C ATOM 1202 CG LYS A 373 -15.131 7.654 -0.721 1.00 0.00 C ATOM 1203 CD LYS A 373 -14.359 6.462 -1.315 1.00 0.00 C ATOM 1204 CE LYS A 373 -15.129 5.126 -1.306 1.00 0.00 C ATOM 1205 NZ LYS A 373 -14.391 4.030 -2.002 1.00 0.00 N ATOM 0 H LYS A 373 -17.767 8.380 0.223 1.00 0.00 H new ATOM 0 HA LYS A 373 -16.674 5.765 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -15.542 8.563 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -14.628 7.072 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -16.064 7.771 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -14.547 8.560 -0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -14.084 6.700 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -13.431 6.334 -0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -15.323 4.830 -0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -16.098 5.267 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -14.953 3.156 -1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -14.228 4.297 -2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -13.477 3.873 -1.531 1.00 0.00 H new ATOM 1219 N GLY A 374 -18.003 7.285 3.214 1.00 0.00 N ATOM 1220 CA GLY A 374 -18.307 7.218 4.638 1.00 0.00 C ATOM 1221 C GLY A 374 -18.456 5.763 5.079 1.00 0.00 C ATOM 1222 O GLY A 374 -19.137 4.989 4.368 1.00 0.00 O ATOM 1223 OXT GLY A 374 -17.912 5.403 6.146 1.00 0.00 O ATOM 0 H GLY A 374 -18.684 7.825 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 374 -17.513 7.699 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 374 -19.227 7.765 4.847 1.00 0.00 H new TER 1227 GLY A 374