USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 985 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 106 SER OG : rot -52:sc= 1.27 USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 51 MET CE :methyl 177:sc= -2.92 (180deg=-3.04!) USER MOD Set 2.2: A 65 LYS NZ :NH3+ -111:sc= -0.338 (180deg=-2.95!) USER MOD Set 2.3: A 68 SER OG : rot -62:sc= 1.81 USER MOD Set 2.4: A 72 MET CE :methyl -127:sc= -1.29 (180deg=-2.14) USER MOD Set 3.1: A 37 LYS NZ :NH3+ 164:sc= -0.0579 (180deg=0) USER MOD Set 3.2: A 77 LYS NZ :NH3+ -125:sc= -1.28 (180deg=-2.66) USER MOD Set 4.1: A 29 GLN : amide:sc= -3.28 K(o=-4.9,f=-8.4!) USER MOD Set 4.2: A 31 LYS NZ :NH3+ 150:sc= -1.66 (180deg=-0.0156) USER MOD Set 5.1: A 18 TYR OH : rot -170:sc= 0.0142 USER MOD Set 5.2: A 92 ASN :FLIP amide:sc= -0.553! F(o=-1.5,f=-0.54!) USER MOD Single : A 1 PHE N :NH3+ -143:sc= 0.491 (180deg=-0.0254) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.025) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -66:sc= -1.34! USER MOD Single : A 23 TYR OH : rot 113:sc= -0.509! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -77:sc= 0.932 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.256 K(o=-0.26,f=-1) USER MOD Single : A 34 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.6) USER MOD Single : A 44 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.3) USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= -0.213 (180deg=-0.714) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.2 X(o=-2.2,f=-2.3) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0581) USER MOD Single : A 70 SER OG : rot -55:sc= 1.16 USER MOD Single : A 73 THR OG1 : rot 55:sc= -5.05! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 62:sc= 1.1 USER MOD Single : A 82 THR OG1 : rot -70:sc= -2.34! USER MOD Single : A 83 SER OG : rot -64:sc= 1.13 USER MOD Single : A 84 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.8!) USER MOD Single : A 87 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.2) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 97 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.016) USER MOD Single : A 98 THR OG1 : rot -160:sc= -0.533 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HE2:sc= -6.92! C(o=-6.9!,f=-11!) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 16.495 2.817 29.102 1.00 0.00 N ATOM 2 CA PHE A 1 16.965 3.648 27.963 1.00 0.00 C ATOM 3 C PHE A 1 17.004 5.126 28.339 1.00 0.00 C ATOM 4 O PHE A 1 17.936 5.844 27.978 1.00 0.00 O ATOM 5 CB PHE A 1 16.022 3.429 26.778 1.00 0.00 C ATOM 6 CG PHE A 1 14.610 3.871 27.043 1.00 0.00 C ATOM 7 CD1 PHE A 1 14.236 5.191 26.850 1.00 0.00 C ATOM 8 CD2 PHE A 1 13.659 2.966 27.484 1.00 0.00 C ATOM 9 CE1 PHE A 1 12.938 5.600 27.092 1.00 0.00 C ATOM 10 CE2 PHE A 1 12.360 3.369 27.729 1.00 0.00 C ATOM 11 CZ PHE A 1 11.999 4.688 27.532 1.00 0.00 C ATOM 0 H1 PHE A 1 17.017 1.917 29.114 1.00 0.00 H new ATOM 0 H2 PHE A 1 16.661 3.325 29.994 1.00 0.00 H new ATOM 0 H3 PHE A 1 15.478 2.626 28.996 1.00 0.00 H new ATOM 0 HA PHE A 1 17.979 3.350 27.696 1.00 0.00 H new ATOM 0 HB2 PHE A 1 16.407 3.970 25.913 1.00 0.00 H new ATOM 0 HB3 PHE A 1 16.020 2.371 26.517 1.00 0.00 H new ATOM 0 HD1 PHE A 1 14.967 5.908 26.507 1.00 0.00 H new ATOM 0 HD2 PHE A 1 13.936 1.933 27.638 1.00 0.00 H new ATOM 0 HE1 PHE A 1 12.659 6.632 26.937 1.00 0.00 H new ATOM 0 HE2 PHE A 1 11.628 2.654 28.074 1.00 0.00 H new ATOM 0 HZ PHE A 1 10.984 5.005 27.722 1.00 0.00 H new ATOM 22 N ALA A 2 15.984 5.573 29.066 1.00 0.00 N ATOM 23 CA ALA A 2 15.897 6.966 29.495 1.00 0.00 C ATOM 24 C ALA A 2 15.683 7.896 28.304 1.00 0.00 C ATOM 25 O ALA A 2 14.597 8.449 28.125 1.00 0.00 O ATOM 26 CB ALA A 2 17.151 7.366 30.262 1.00 0.00 C ATOM 0 H ALA A 2 15.205 4.990 29.371 1.00 0.00 H new ATOM 0 HA ALA A 2 15.036 7.061 30.157 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.070 8.407 30.574 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.258 6.731 31.141 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.024 7.247 29.620 1.00 0.00 H new ATOM 32 N LYS A 3 16.722 8.063 27.494 1.00 0.00 N ATOM 33 CA LYS A 3 16.645 8.927 26.321 1.00 0.00 C ATOM 34 C LYS A 3 15.566 8.442 25.358 1.00 0.00 C ATOM 35 O LYS A 3 15.614 7.310 24.876 1.00 0.00 O ATOM 36 CB LYS A 3 17.997 8.974 25.607 1.00 0.00 C ATOM 37 CG LYS A 3 18.284 10.306 24.935 1.00 0.00 C ATOM 38 CD LYS A 3 18.989 11.267 25.879 1.00 0.00 C ATOM 39 CE LYS A 3 18.966 12.690 25.346 1.00 0.00 C ATOM 40 NZ LYS A 3 17.840 13.480 25.918 1.00 0.00 N ATOM 0 H LYS A 3 17.627 7.612 27.627 1.00 0.00 H new ATOM 0 HA LYS A 3 16.383 9.931 26.657 1.00 0.00 H new ATOM 0 HB2 LYS A 3 18.787 8.763 26.328 1.00 0.00 H new ATOM 0 HB3 LYS A 3 18.030 8.184 24.857 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.902 10.143 24.052 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.350 10.751 24.593 1.00 0.00 H new ATOM 0 HD2 LYS A 3 18.508 11.236 26.857 1.00 0.00 H new ATOM 0 HD3 LYS A 3 20.021 10.947 26.021 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.910 13.181 25.581 1.00 0.00 H new ATOM 0 HE3 LYS A 3 18.880 12.669 24.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.860 14.444 25.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.937 13.026 25.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.936 13.522 26.953 1.00 0.00 H new ATOM 54 N LEU A 4 14.594 9.305 25.083 1.00 0.00 N ATOM 55 CA LEU A 4 13.503 8.965 24.178 1.00 0.00 C ATOM 56 C LEU A 4 13.697 9.628 22.818 1.00 0.00 C ATOM 57 O LEU A 4 13.991 10.821 22.735 1.00 0.00 O ATOM 58 CB LEU A 4 12.162 9.389 24.779 1.00 0.00 C ATOM 59 CG LEU A 4 10.943 9.127 23.893 1.00 0.00 C ATOM 60 CD1 LEU A 4 9.722 8.813 24.745 1.00 0.00 C ATOM 61 CD2 LEU A 4 10.673 10.323 22.993 1.00 0.00 C ATOM 0 H LEU A 4 14.540 10.245 25.474 1.00 0.00 H new ATOM 0 HA LEU A 4 13.504 7.884 24.038 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.024 8.866 25.725 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.204 10.454 25.007 1.00 0.00 H new ATOM 0 HG LEU A 4 11.154 8.263 23.263 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.864 8.629 24.098 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.918 7.927 25.348 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.508 9.658 25.400 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.802 10.120 22.369 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.483 11.204 23.606 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.540 10.504 22.358 1.00 0.00 H new ATOM 73 N VAL A 5 13.531 8.848 21.755 1.00 0.00 N ATOM 74 CA VAL A 5 13.688 9.360 20.399 1.00 0.00 C ATOM 75 C VAL A 5 12.754 8.640 19.430 1.00 0.00 C ATOM 76 O VAL A 5 13.192 8.091 18.418 1.00 0.00 O ATOM 77 CB VAL A 5 15.143 9.216 19.910 1.00 0.00 C ATOM 78 CG1 VAL A 5 15.551 7.751 19.859 1.00 0.00 C ATOM 79 CG2 VAL A 5 15.321 9.876 18.550 1.00 0.00 C ATOM 0 H VAL A 5 13.288 7.859 21.807 1.00 0.00 H new ATOM 0 HA VAL A 5 13.429 10.418 20.424 1.00 0.00 H new ATOM 0 HB VAL A 5 15.794 9.724 20.621 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.581 7.672 19.511 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.470 7.316 20.855 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.895 7.214 19.174 1.00 0.00 H new ATOM 0 HG21 VAL A 5 16.355 9.763 18.223 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.658 9.402 17.826 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.078 10.936 18.625 1.00 0.00 H new ATOM 89 N ARG A 6 11.463 8.647 19.745 1.00 0.00 N ATOM 90 CA ARG A 6 10.467 7.997 18.903 1.00 0.00 C ATOM 91 C ARG A 6 9.203 8.848 18.794 1.00 0.00 C ATOM 92 O ARG A 6 8.864 9.589 19.717 1.00 0.00 O ATOM 93 CB ARG A 6 10.118 6.616 19.462 1.00 0.00 C ATOM 94 CG ARG A 6 9.897 6.606 20.965 1.00 0.00 C ATOM 95 CD ARG A 6 11.112 6.068 21.705 1.00 0.00 C ATOM 96 NE ARG A 6 11.214 4.613 21.605 1.00 0.00 N ATOM 97 CZ ARG A 6 12.102 3.885 22.277 1.00 0.00 C ATOM 98 NH1 ARG A 6 12.965 4.470 23.098 1.00 0.00 N ATOM 99 NH2 ARG A 6 12.126 2.567 22.129 1.00 0.00 N ATOM 0 H ARG A 6 11.082 9.096 20.578 1.00 0.00 H new ATOM 0 HA ARG A 6 10.892 7.882 17.906 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.218 6.251 18.968 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.921 5.921 19.217 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.679 7.617 21.308 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.026 5.995 21.201 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.015 6.524 21.299 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.054 6.356 22.755 1.00 0.00 H new ATOM 0 HE ARG A 6 10.567 4.128 20.984 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.950 5.483 23.217 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.643 3.907 23.611 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.464 2.112 21.500 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.807 2.008 22.644 1.00 0.00 H new ATOM 113 N PRO A 7 8.488 8.754 17.660 1.00 0.00 N ATOM 114 CA PRO A 7 7.258 9.518 17.435 1.00 0.00 C ATOM 115 C PRO A 7 6.108 9.040 18.320 1.00 0.00 C ATOM 116 O PRO A 7 5.601 7.931 18.143 1.00 0.00 O ATOM 117 CB PRO A 7 6.940 9.257 15.962 1.00 0.00 C ATOM 118 CG PRO A 7 7.584 7.948 15.661 1.00 0.00 C ATOM 119 CD PRO A 7 8.824 7.892 16.509 1.00 0.00 C ATOM 0 HA PRO A 7 7.385 10.573 17.677 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.864 9.218 15.790 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.336 10.048 15.325 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.914 7.121 15.894 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.831 7.869 14.602 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.051 6.873 16.822 1.00 0.00 H new ATOM 0 HD3 PRO A 7 9.697 8.262 15.971 1.00 0.00 H new ATOM 127 N PRO A 8 5.676 9.868 19.289 1.00 0.00 N ATOM 128 CA PRO A 8 4.580 9.514 20.196 1.00 0.00 C ATOM 129 C PRO A 8 3.329 9.067 19.447 1.00 0.00 C ATOM 130 O PRO A 8 2.490 9.889 19.076 1.00 0.00 O ATOM 131 CB PRO A 8 4.311 10.815 20.957 1.00 0.00 C ATOM 132 CG PRO A 8 5.598 11.561 20.899 1.00 0.00 C ATOM 133 CD PRO A 8 6.219 11.210 19.575 1.00 0.00 C ATOM 0 HA PRO A 8 4.841 8.675 20.840 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.503 11.383 20.496 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.014 10.617 21.987 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.431 12.635 20.979 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.251 11.277 21.724 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.947 11.927 18.801 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.307 11.200 19.632 1.00 0.00 H new ATOM 141 N VAL A 9 3.212 7.762 19.228 1.00 0.00 N ATOM 142 CA VAL A 9 2.063 7.206 18.522 1.00 0.00 C ATOM 143 C VAL A 9 1.692 5.835 19.074 1.00 0.00 C ATOM 144 O VAL A 9 2.414 5.268 19.894 1.00 0.00 O ATOM 145 CB VAL A 9 2.336 7.083 17.012 1.00 0.00 C ATOM 146 CG1 VAL A 9 2.510 8.458 16.386 1.00 0.00 C ATOM 147 CG2 VAL A 9 3.561 6.217 16.759 1.00 0.00 C ATOM 0 H VAL A 9 3.898 7.070 19.529 1.00 0.00 H new ATOM 0 HA VAL A 9 1.233 7.895 18.677 1.00 0.00 H new ATOM 0 HB VAL A 9 1.476 6.602 16.545 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.702 8.350 15.319 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.602 9.043 16.534 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.351 8.968 16.856 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.738 6.142 15.686 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.430 6.667 17.240 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.394 5.221 17.170 1.00 0.00 H new ATOM 157 N GLN A 10 0.561 5.305 18.618 1.00 0.00 N ATOM 158 CA GLN A 10 0.093 3.998 19.065 1.00 0.00 C ATOM 159 C GLN A 10 -0.385 3.156 17.884 1.00 0.00 C ATOM 160 O GLN A 10 0.330 2.272 17.412 1.00 0.00 O ATOM 161 CB GLN A 10 -1.034 4.149 20.093 1.00 0.00 C ATOM 162 CG GLN A 10 -1.859 5.417 19.922 1.00 0.00 C ATOM 163 CD GLN A 10 -3.337 5.188 20.173 1.00 0.00 C ATOM 164 OE1 GLN A 10 -3.721 4.552 21.155 1.00 0.00 O ATOM 165 NE2 GLN A 10 -4.175 5.706 19.283 1.00 0.00 N ATOM 0 H GLN A 10 -0.048 5.761 17.939 1.00 0.00 H new ATOM 0 HA GLN A 10 0.932 3.487 19.537 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.695 3.285 20.023 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.603 4.140 21.094 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.492 6.181 20.608 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.721 5.803 18.912 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.813 6.226 18.484 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.181 5.584 19.398 1.00 0.00 H new ATOM 174 N ILE A 11 -1.596 3.436 17.411 1.00 0.00 N ATOM 175 CA ILE A 11 -2.164 2.701 16.286 1.00 0.00 C ATOM 176 C ILE A 11 -2.510 3.630 15.123 1.00 0.00 C ATOM 177 O ILE A 11 -2.795 3.169 14.018 1.00 0.00 O ATOM 178 CB ILE A 11 -3.412 1.914 16.710 1.00 0.00 C ATOM 179 CG1 ILE A 11 -3.941 1.067 15.550 1.00 0.00 C ATOM 180 CG2 ILE A 11 -4.487 2.862 17.219 1.00 0.00 C ATOM 181 CD1 ILE A 11 -2.912 0.115 14.976 1.00 0.00 C ATOM 0 H ILE A 11 -2.202 4.165 17.788 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.401 1.998 15.950 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.135 1.239 17.520 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.803 0.494 15.893 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.293 1.729 14.759 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.366 2.290 17.516 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.107 3.415 18.078 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.759 3.561 16.428 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.357 -0.452 14.158 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.060 0.683 14.602 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.578 -0.571 15.754 1.00 0.00 H new ATOM 193 N TYR A 12 -2.443 4.944 15.366 1.00 0.00 N ATOM 194 CA TYR A 12 -2.711 5.938 14.324 1.00 0.00 C ATOM 195 C TYR A 12 -3.939 5.560 13.499 1.00 0.00 C ATOM 196 O TYR A 12 -3.827 4.910 12.459 1.00 0.00 O ATOM 197 CB TYR A 12 -1.480 6.094 13.410 1.00 0.00 C ATOM 198 CG TYR A 12 -0.548 4.897 13.434 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.063 4.495 14.618 1.00 0.00 C ATOM 200 CD2 TYR A 12 -0.298 4.158 12.286 1.00 0.00 C ATOM 201 CE1 TYR A 12 0.889 3.394 14.657 1.00 0.00 C ATOM 202 CE2 TYR A 12 0.531 3.052 12.318 1.00 0.00 C ATOM 203 CZ TYR A 12 1.121 2.673 13.506 1.00 0.00 C ATOM 204 OH TYR A 12 1.947 1.574 13.540 1.00 0.00 O ATOM 0 H TYR A 12 -2.206 5.342 16.275 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.916 6.891 14.812 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.817 6.261 12.387 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.925 6.982 13.712 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.114 5.057 15.523 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.758 4.451 11.354 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.353 3.097 15.586 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.716 2.487 11.416 1.00 0.00 H new ATOM 0 HH TYR A 12 2.003 1.179 12.645 1.00 0.00 H new ATOM 214 N GLY A 13 -5.109 5.968 13.976 1.00 0.00 N ATOM 215 CA GLY A 13 -6.346 5.662 13.281 1.00 0.00 C ATOM 216 C GLY A 13 -6.361 6.164 11.850 1.00 0.00 C ATOM 217 O GLY A 13 -6.812 5.460 10.947 1.00 0.00 O ATOM 0 H GLY A 13 -5.224 6.507 14.834 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.500 4.583 13.283 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.181 6.105 13.824 1.00 0.00 H new ATOM 221 N ILE A 14 -5.875 7.383 11.642 1.00 0.00 N ATOM 222 CA ILE A 14 -5.847 7.973 10.306 1.00 0.00 C ATOM 223 C ILE A 14 -5.081 7.093 9.324 1.00 0.00 C ATOM 224 O ILE A 14 -5.564 6.809 8.228 1.00 0.00 O ATOM 225 CB ILE A 14 -5.222 9.386 10.324 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.257 10.007 8.925 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.796 9.331 10.848 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.632 10.002 8.290 1.00 0.00 C ATOM 0 H ILE A 14 -5.496 7.980 12.377 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.883 8.051 9.976 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.810 10.014 10.993 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.898 11.034 8.984 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.566 9.465 8.279 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.371 10.335 10.854 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.796 8.931 11.862 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.196 8.687 10.204 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.578 10.458 7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.986 8.975 8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.323 10.569 8.914 1.00 0.00 H new ATOM 240 N GLU A 15 -3.889 6.657 9.720 1.00 0.00 N ATOM 241 CA GLU A 15 -3.075 5.804 8.863 1.00 0.00 C ATOM 242 C GLU A 15 -3.682 4.411 8.774 1.00 0.00 C ATOM 243 O GLU A 15 -3.585 3.743 7.744 1.00 0.00 O ATOM 244 CB GLU A 15 -1.641 5.725 9.392 1.00 0.00 C ATOM 245 CG GLU A 15 -0.675 6.644 8.663 1.00 0.00 C ATOM 246 CD GLU A 15 0.284 7.347 9.604 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.798 6.687 10.532 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.520 8.559 9.415 1.00 0.00 O ATOM 0 H GLU A 15 -3.468 6.879 10.622 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.052 6.240 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.639 5.976 10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.287 4.698 9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.106 6.064 7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.240 7.389 8.103 1.00 0.00 H new ATOM 255 N GLY A 16 -4.320 3.983 9.858 1.00 0.00 N ATOM 256 CA GLY A 16 -4.946 2.678 9.878 1.00 0.00 C ATOM 257 C GLY A 16 -6.220 2.651 9.060 1.00 0.00 C ATOM 258 O GLY A 16 -6.595 1.612 8.517 1.00 0.00 O ATOM 0 H GLY A 16 -4.414 4.518 10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.249 1.935 9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.169 2.398 10.907 1.00 0.00 H new ATOM 262 N ARG A 17 -6.885 3.801 8.968 1.00 0.00 N ATOM 263 CA ARG A 17 -8.123 3.909 8.206 1.00 0.00 C ATOM 264 C ARG A 17 -7.848 3.831 6.709 1.00 0.00 C ATOM 265 O ARG A 17 -8.729 3.470 5.930 1.00 0.00 O ATOM 266 CB ARG A 17 -8.845 5.216 8.540 1.00 0.00 C ATOM 267 CG ARG A 17 -10.355 5.073 8.625 1.00 0.00 C ATOM 268 CD ARG A 17 -11.022 5.398 7.298 1.00 0.00 C ATOM 269 NE ARG A 17 -12.261 6.151 7.478 1.00 0.00 N ATOM 270 CZ ARG A 17 -12.950 6.695 6.478 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.525 6.573 5.226 1.00 0.00 N ATOM 272 NH2 ARG A 17 -14.067 7.364 6.729 1.00 0.00 N ATOM 0 H ARG A 17 -6.586 4.669 9.412 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.764 3.072 8.483 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.470 5.595 9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.601 5.960 7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.609 4.055 8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.741 5.736 9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.335 5.974 6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.235 4.473 6.763 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.619 6.267 8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.666 6.060 5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.057 6.992 4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.398 7.462 7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.595 7.781 5.962 1.00 0.00 H new ATOM 286 N TYR A 18 -6.625 4.164 6.308 1.00 0.00 N ATOM 287 CA TYR A 18 -6.252 4.117 4.899 1.00 0.00 C ATOM 288 C TYR A 18 -6.443 2.711 4.347 1.00 0.00 C ATOM 289 O TYR A 18 -7.098 2.518 3.323 1.00 0.00 O ATOM 290 CB TYR A 18 -4.799 4.563 4.716 1.00 0.00 C ATOM 291 CG TYR A 18 -4.655 5.973 4.193 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.117 7.057 4.928 1.00 0.00 C ATOM 293 CD2 TYR A 18 -4.053 6.221 2.964 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.986 8.349 4.454 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.918 7.510 2.484 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.386 8.570 3.232 1.00 0.00 C ATOM 297 OH TYR A 18 -4.253 9.854 2.758 1.00 0.00 O ATOM 0 H TYR A 18 -5.880 4.468 6.935 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.898 4.800 4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.282 4.486 5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.302 3.878 4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.586 6.888 5.886 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.685 5.393 2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.352 9.181 5.038 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.448 7.686 1.528 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.957 9.829 1.824 1.00 0.00 H new ATOM 307 N ALA A 19 -5.877 1.730 5.039 1.00 0.00 N ATOM 308 CA ALA A 19 -5.996 0.342 4.626 1.00 0.00 C ATOM 309 C ALA A 19 -7.438 -0.127 4.758 1.00 0.00 C ATOM 310 O ALA A 19 -7.978 -0.770 3.859 1.00 0.00 O ATOM 311 CB ALA A 19 -5.070 -0.538 5.449 1.00 0.00 C ATOM 0 H ALA A 19 -5.331 1.873 5.889 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.702 0.264 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.172 -1.574 5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.039 -0.213 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.334 -0.458 6.503 1.00 0.00 H new ATOM 317 N THR A 20 -8.057 0.204 5.886 1.00 0.00 N ATOM 318 CA THR A 20 -9.440 -0.181 6.133 1.00 0.00 C ATOM 319 C THR A 20 -10.396 0.563 5.212 1.00 0.00 C ATOM 320 O THR A 20 -11.537 0.145 5.030 1.00 0.00 O ATOM 321 CB THR A 20 -9.821 0.051 7.594 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.937 0.968 8.203 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.800 -1.218 8.415 1.00 0.00 C ATOM 0 H THR A 20 -7.624 0.736 6.641 1.00 0.00 H new ATOM 0 HA THR A 20 -9.524 -1.246 5.919 1.00 0.00 H new ATOM 0 HB THR A 20 -10.838 0.442 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.040 0.576 8.251 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.079 -0.990 9.444 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.508 -1.934 7.997 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.798 -1.646 8.397 1.00 0.00 H new ATOM 331 N ALA A 21 -9.931 1.658 4.619 1.00 0.00 N ATOM 332 CA ALA A 21 -10.771 2.424 3.710 1.00 0.00 C ATOM 333 C ALA A 21 -10.549 1.996 2.265 1.00 0.00 C ATOM 334 O ALA A 21 -11.241 2.459 1.357 1.00 0.00 O ATOM 335 CB ALA A 21 -10.522 3.916 3.875 1.00 0.00 C ATOM 0 H ALA A 21 -8.990 2.030 4.750 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.812 2.221 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.160 4.470 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.750 4.212 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.477 4.137 3.658 1.00 0.00 H new ATOM 341 N LEU A 22 -9.606 1.084 2.062 1.00 0.00 N ATOM 342 CA LEU A 22 -9.324 0.564 0.733 1.00 0.00 C ATOM 343 C LEU A 22 -9.657 -0.908 0.710 1.00 0.00 C ATOM 344 O LEU A 22 -10.219 -1.420 -0.258 1.00 0.00 O ATOM 345 CB LEU A 22 -7.859 0.787 0.350 1.00 0.00 C ATOM 346 CG LEU A 22 -7.441 0.145 -0.976 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.138 1.212 -2.017 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.240 -0.767 -0.774 1.00 0.00 C ATOM 0 H LEU A 22 -9.025 0.690 2.802 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.935 1.095 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.671 1.859 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.226 0.393 1.145 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.271 -0.460 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.843 0.735 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.027 1.820 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.326 1.847 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.958 -1.214 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.404 -0.187 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.496 -1.555 -0.066 1.00 0.00 H new ATOM 360 N TYR A 23 -9.338 -1.574 1.805 1.00 0.00 N ATOM 361 CA TYR A 23 -9.634 -2.972 1.941 1.00 0.00 C ATOM 362 C TYR A 23 -11.098 -3.139 2.350 1.00 0.00 C ATOM 363 O TYR A 23 -11.668 -4.212 2.182 1.00 0.00 O ATOM 364 CB TYR A 23 -8.677 -3.618 2.954 1.00 0.00 C ATOM 365 CG TYR A 23 -9.346 -4.143 4.200 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.172 -5.251 4.137 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.161 -3.527 5.429 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.797 -5.741 5.262 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.784 -4.005 6.559 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.601 -5.114 6.475 1.00 0.00 C ATOM 371 OH TYR A 23 -11.224 -5.589 7.604 1.00 0.00 O ATOM 0 H TYR A 23 -8.872 -1.159 2.612 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.487 -3.481 0.988 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.151 -4.439 2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.924 -2.884 3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.330 -5.741 3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.520 -2.661 5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.436 -6.609 5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.634 -3.514 7.509 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.553 -5.950 8.220 1.00 0.00 H new ATOM 381 N SER A 24 -11.719 -2.062 2.865 1.00 0.00 N ATOM 382 CA SER A 24 -13.124 -2.122 3.259 1.00 0.00 C ATOM 383 C SER A 24 -13.935 -2.749 2.135 1.00 0.00 C ATOM 384 O SER A 24 -14.761 -3.633 2.361 1.00 0.00 O ATOM 385 CB SER A 24 -13.655 -0.723 3.590 1.00 0.00 C ATOM 386 OG SER A 24 -15.007 -0.574 3.190 1.00 0.00 O ATOM 0 H SER A 24 -11.272 -1.157 3.013 1.00 0.00 H new ATOM 0 HA SER A 24 -13.217 -2.735 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.569 -0.544 4.662 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.042 0.028 3.092 1.00 0.00 H new ATOM 0 HG SER A 24 -15.317 0.328 3.416 1.00 0.00 H new ATOM 392 N ALA A 25 -13.653 -2.310 0.914 1.00 0.00 N ATOM 393 CA ALA A 25 -14.313 -2.854 -0.258 1.00 0.00 C ATOM 394 C ALA A 25 -13.750 -4.237 -0.539 1.00 0.00 C ATOM 395 O ALA A 25 -14.467 -5.144 -0.962 1.00 0.00 O ATOM 396 CB ALA A 25 -14.122 -1.938 -1.458 1.00 0.00 C ATOM 0 H ALA A 25 -12.971 -1.578 0.714 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.384 -2.929 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.625 -2.365 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.546 -0.958 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.058 -1.834 -1.670 1.00 0.00 H new ATOM 402 N ALA A 26 -12.454 -4.389 -0.276 1.00 0.00 N ATOM 403 CA ALA A 26 -11.775 -5.662 -0.475 1.00 0.00 C ATOM 404 C ALA A 26 -12.355 -6.739 0.436 1.00 0.00 C ATOM 405 O ALA A 26 -12.400 -7.911 0.071 1.00 0.00 O ATOM 406 CB ALA A 26 -10.286 -5.508 -0.215 1.00 0.00 C ATOM 0 H ALA A 26 -11.854 -3.643 0.076 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.928 -5.970 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.789 -6.466 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.871 -4.771 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.128 -5.176 0.811 1.00 0.00 H new ATOM 412 N SER A 27 -12.798 -6.331 1.623 1.00 0.00 N ATOM 413 CA SER A 27 -13.377 -7.260 2.589 1.00 0.00 C ATOM 414 C SER A 27 -14.643 -7.897 2.026 1.00 0.00 C ATOM 415 O SER A 27 -14.817 -9.114 2.084 1.00 0.00 O ATOM 416 CB SER A 27 -13.696 -6.532 3.897 1.00 0.00 C ATOM 417 OG SER A 27 -14.981 -5.934 3.854 1.00 0.00 O ATOM 0 H SER A 27 -12.767 -5.362 1.939 1.00 0.00 H new ATOM 0 HA SER A 27 -12.649 -8.047 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.648 -7.235 4.728 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.942 -5.767 4.083 1.00 0.00 H new ATOM 0 HG SER A 27 -14.943 -5.116 3.316 1.00 0.00 H new ATOM 423 N LYS A 28 -15.522 -7.063 1.476 1.00 0.00 N ATOM 424 CA LYS A 28 -16.772 -7.542 0.895 1.00 0.00 C ATOM 425 C LYS A 28 -16.499 -8.647 -0.119 1.00 0.00 C ATOM 426 O LYS A 28 -17.299 -9.569 -0.282 1.00 0.00 O ATOM 427 CB LYS A 28 -17.524 -6.391 0.225 1.00 0.00 C ATOM 428 CG LYS A 28 -19.036 -6.512 0.327 1.00 0.00 C ATOM 429 CD LYS A 28 -19.574 -5.770 1.540 1.00 0.00 C ATOM 430 CE LYS A 28 -20.998 -5.288 1.311 1.00 0.00 C ATOM 431 NZ LYS A 28 -21.038 -3.877 0.838 1.00 0.00 N ATOM 0 H LYS A 28 -15.391 -6.053 1.421 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.390 -7.947 1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.212 -5.451 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.241 -6.347 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.496 -6.114 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.314 -7.564 0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.546 -6.425 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.931 -4.918 1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.485 -5.931 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.564 -5.376 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -22.026 -3.587 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.596 -3.260 1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.519 -3.797 -0.060 1.00 0.00 H new ATOM 445 N GLN A 29 -15.358 -8.549 -0.792 1.00 0.00 N ATOM 446 CA GLN A 29 -14.967 -9.542 -1.783 1.00 0.00 C ATOM 447 C GLN A 29 -14.156 -10.654 -1.129 1.00 0.00 C ATOM 448 O GLN A 29 -14.332 -11.829 -1.449 1.00 0.00 O ATOM 449 CB GLN A 29 -14.155 -8.887 -2.902 1.00 0.00 C ATOM 450 CG GLN A 29 -14.972 -7.953 -3.779 1.00 0.00 C ATOM 451 CD GLN A 29 -14.194 -6.724 -4.205 1.00 0.00 C ATOM 452 OE1 GLN A 29 -14.130 -6.394 -5.389 1.00 0.00 O ATOM 453 NE2 GLN A 29 -13.597 -6.037 -3.238 1.00 0.00 N ATOM 0 H GLN A 29 -14.687 -7.790 -0.668 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.870 -9.974 -2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.329 -8.329 -2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.716 -9.666 -3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.306 -8.492 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.866 -7.643 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.676 -6.346 -2.269 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.060 -5.200 -3.464 1.00 0.00 H new ATOM 462 N ASN A 30 -13.259 -10.261 -0.216 1.00 0.00 N ATOM 463 CA ASN A 30 -12.389 -11.195 0.506 1.00 0.00 C ATOM 464 C ASN A 30 -10.986 -11.140 -0.069 1.00 0.00 C ATOM 465 O ASN A 30 -10.266 -12.139 -0.089 1.00 0.00 O ATOM 466 CB ASN A 30 -12.920 -12.634 0.459 1.00 0.00 C ATOM 467 CG ASN A 30 -12.288 -13.518 1.516 1.00 0.00 C ATOM 468 OD1 ASN A 30 -12.058 -13.087 2.646 1.00 0.00 O ATOM 469 ND2 ASN A 30 -12.004 -14.763 1.153 1.00 0.00 N ATOM 0 H ASN A 30 -13.117 -9.285 0.043 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.372 -10.888 1.552 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.001 -12.624 0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.728 -13.057 -0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.578 -15.405 1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.212 -15.078 0.205 1.00 0.00 H new ATOM 476 N LYS A 31 -10.605 -9.959 -0.541 1.00 0.00 N ATOM 477 CA LYS A 31 -9.290 -9.760 -1.123 1.00 0.00 C ATOM 478 C LYS A 31 -8.257 -9.410 -0.057 1.00 0.00 C ATOM 479 O LYS A 31 -7.116 -9.095 -0.382 1.00 0.00 O ATOM 480 CB LYS A 31 -9.340 -8.663 -2.186 1.00 0.00 C ATOM 481 CG LYS A 31 -9.655 -9.185 -3.579 1.00 0.00 C ATOM 482 CD LYS A 31 -11.092 -8.889 -3.976 1.00 0.00 C ATOM 483 CE LYS A 31 -11.302 -9.052 -5.473 1.00 0.00 C ATOM 484 NZ LYS A 31 -12.189 -7.991 -6.029 1.00 0.00 N ATOM 0 H LYS A 31 -11.192 -9.125 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.988 -10.697 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.093 -7.927 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.381 -8.145 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.977 -8.730 -4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.482 -10.261 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.764 -9.558 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.350 -7.872 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.338 -9.022 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.737 -10.031 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.927 -7.803 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.178 -8.309 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.081 -7.120 -5.471 1.00 0.00 H new ATOM 498 N LEU A 32 -8.650 -9.476 1.221 1.00 0.00 N ATOM 499 CA LEU A 32 -7.739 -9.178 2.321 1.00 0.00 C ATOM 500 C LEU A 32 -6.367 -9.793 2.066 1.00 0.00 C ATOM 501 O LEU A 32 -5.345 -9.241 2.466 1.00 0.00 O ATOM 502 CB LEU A 32 -8.328 -9.709 3.628 1.00 0.00 C ATOM 503 CG LEU A 32 -9.401 -8.819 4.258 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.755 -7.818 5.202 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.211 -8.105 3.184 1.00 0.00 C ATOM 0 H LEU A 32 -9.593 -9.733 1.514 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.615 -8.098 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.756 -10.694 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.519 -9.843 4.346 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.085 -9.447 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.525 -7.188 5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.223 -8.352 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.053 -7.196 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.968 -7.478 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.549 -7.483 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.697 -8.842 2.545 1.00 0.00 H new ATOM 517 N GLU A 33 -6.358 -10.927 1.377 1.00 0.00 N ATOM 518 CA GLU A 33 -5.111 -11.606 1.044 1.00 0.00 C ATOM 519 C GLU A 33 -4.443 -10.922 -0.145 1.00 0.00 C ATOM 520 O GLU A 33 -3.219 -10.813 -0.210 1.00 0.00 O ATOM 521 CB GLU A 33 -5.372 -13.079 0.726 1.00 0.00 C ATOM 522 CG GLU A 33 -5.686 -13.921 1.952 1.00 0.00 C ATOM 523 CD GLU A 33 -5.646 -15.408 1.664 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.897 -15.795 0.503 1.00 0.00 O ATOM 525 OE2 GLU A 33 -5.364 -16.187 2.598 1.00 0.00 O ATOM 0 H GLU A 33 -7.198 -11.396 1.038 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.444 -11.550 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.204 -13.149 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.498 -13.494 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.971 -13.688 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.674 -13.654 2.328 1.00 0.00 H new ATOM 532 N GLN A 34 -5.267 -10.451 -1.078 1.00 0.00 N ATOM 533 CA GLN A 34 -4.779 -9.760 -2.265 1.00 0.00 C ATOM 534 C GLN A 34 -4.521 -8.281 -1.979 1.00 0.00 C ATOM 535 O GLN A 34 -3.997 -7.560 -2.827 1.00 0.00 O ATOM 536 CB GLN A 34 -5.785 -9.901 -3.410 1.00 0.00 C ATOM 537 CG GLN A 34 -5.224 -9.506 -4.765 1.00 0.00 C ATOM 538 CD GLN A 34 -4.184 -10.484 -5.276 1.00 0.00 C ATOM 539 OE1 GLN A 34 -4.093 -11.617 -4.802 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.392 -10.049 -6.251 1.00 0.00 N ATOM 0 H GLN A 34 -6.282 -10.537 -1.032 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.835 -10.221 -2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.128 -10.935 -3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.658 -9.285 -3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.039 -9.439 -5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.779 -8.513 -4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.503 -9.102 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.674 -10.662 -6.636 1.00 0.00 H new ATOM 549 N VAL A 35 -4.883 -7.833 -0.777 1.00 0.00 N ATOM 550 CA VAL A 35 -4.677 -6.442 -0.386 1.00 0.00 C ATOM 551 C VAL A 35 -3.665 -6.351 0.753 1.00 0.00 C ATOM 552 O VAL A 35 -2.859 -5.422 0.810 1.00 0.00 O ATOM 553 CB VAL A 35 -5.989 -5.756 0.066 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.946 -4.271 -0.258 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.220 -6.408 -0.565 1.00 0.00 C ATOM 0 H VAL A 35 -5.319 -8.413 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.303 -5.925 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.072 -5.882 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.875 -3.801 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.106 -3.809 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.826 -4.136 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.119 -5.896 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.154 -6.336 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.266 -7.457 -0.273 1.00 0.00 H new ATOM 565 N GLU A 36 -3.708 -7.331 1.653 1.00 0.00 N ATOM 566 CA GLU A 36 -2.787 -7.371 2.785 1.00 0.00 C ATOM 567 C GLU A 36 -1.414 -7.804 2.309 1.00 0.00 C ATOM 568 O GLU A 36 -0.403 -7.180 2.635 1.00 0.00 O ATOM 569 CB GLU A 36 -3.291 -8.328 3.867 1.00 0.00 C ATOM 570 CG GLU A 36 -2.507 -8.244 5.167 1.00 0.00 C ATOM 571 CD GLU A 36 -1.549 -9.407 5.346 1.00 0.00 C ATOM 572 OE1 GLU A 36 -1.964 -10.560 5.106 1.00 0.00 O ATOM 573 OE2 GLU A 36 -0.385 -9.163 5.725 1.00 0.00 O ATOM 0 H GLU A 36 -4.370 -8.106 1.620 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.725 -6.372 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.340 -8.113 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.243 -9.349 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.946 -7.309 5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.203 -8.219 6.006 1.00 0.00 H new ATOM 580 N LYS A 37 -1.391 -8.858 1.502 1.00 0.00 N ATOM 581 CA LYS A 37 -0.144 -9.350 0.942 1.00 0.00 C ATOM 582 C LYS A 37 0.399 -8.304 -0.014 1.00 0.00 C ATOM 583 O LYS A 37 1.608 -8.176 -0.203 1.00 0.00 O ATOM 584 CB LYS A 37 -0.362 -10.678 0.214 1.00 0.00 C ATOM 585 CG LYS A 37 0.928 -11.417 -0.102 1.00 0.00 C ATOM 586 CD LYS A 37 0.668 -12.659 -0.938 1.00 0.00 C ATOM 587 CE LYS A 37 1.640 -13.775 -0.595 1.00 0.00 C ATOM 588 NZ LYS A 37 1.595 -14.878 -1.594 1.00 0.00 N ATOM 0 H LYS A 37 -2.219 -9.385 1.223 1.00 0.00 H new ATOM 0 HA LYS A 37 0.572 -9.528 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.997 -11.318 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.900 -10.490 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.607 -10.753 -0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.424 -11.700 0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.354 -13.002 -0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.755 -12.412 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.652 -13.372 -0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.404 -14.170 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.438 -15.477 -1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.741 -15.451 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.574 -14.477 -2.553 1.00 0.00 H new ATOM 602 N GLU A 38 -0.521 -7.536 -0.595 1.00 0.00 N ATOM 603 CA GLU A 38 -0.167 -6.474 -1.510 1.00 0.00 C ATOM 604 C GLU A 38 0.039 -5.162 -0.751 1.00 0.00 C ATOM 605 O GLU A 38 0.107 -4.089 -1.345 1.00 0.00 O ATOM 606 CB GLU A 38 -1.266 -6.317 -2.556 1.00 0.00 C ATOM 607 CG GLU A 38 -1.080 -7.208 -3.774 1.00 0.00 C ATOM 608 CD GLU A 38 -1.152 -8.683 -3.431 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.320 -9.146 -2.623 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.039 -9.377 -3.972 1.00 0.00 O ATOM 0 H GLU A 38 -1.524 -7.638 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 38 0.768 -6.729 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.228 -6.541 -2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.302 -5.277 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.846 -6.972 -4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.116 -6.992 -4.234 1.00 0.00 H new ATOM 617 N LEU A 39 0.154 -5.258 0.569 1.00 0.00 N ATOM 618 CA LEU A 39 0.377 -4.089 1.406 1.00 0.00 C ATOM 619 C LEU A 39 1.769 -4.164 2.013 1.00 0.00 C ATOM 620 O LEU A 39 2.447 -3.150 2.172 1.00 0.00 O ATOM 621 CB LEU A 39 -0.686 -3.997 2.504 1.00 0.00 C ATOM 622 CG LEU A 39 -1.487 -2.694 2.520 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.751 -2.834 1.684 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.831 -2.294 3.948 1.00 0.00 C ATOM 0 H LEU A 39 0.096 -6.138 1.082 1.00 0.00 H new ATOM 0 HA LEU A 39 0.300 -3.191 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.379 -4.831 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.199 -4.119 3.472 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.872 -1.907 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.308 -1.897 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.482 -3.071 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.369 -3.634 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.401 -1.365 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.426 -3.080 4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.912 -2.150 4.517 1.00 0.00 H new ATOM 636 N LEU A 40 2.198 -5.384 2.326 1.00 0.00 N ATOM 637 CA LEU A 40 3.520 -5.606 2.887 1.00 0.00 C ATOM 638 C LEU A 40 4.581 -5.406 1.811 1.00 0.00 C ATOM 639 O LEU A 40 5.719 -5.043 2.108 1.00 0.00 O ATOM 640 CB LEU A 40 3.623 -7.015 3.472 1.00 0.00 C ATOM 641 CG LEU A 40 4.617 -7.167 4.625 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.144 -8.231 5.602 1.00 0.00 C ATOM 643 CD2 LEU A 40 6.001 -7.507 4.092 1.00 0.00 C ATOM 0 H LEU A 40 1.646 -6.232 2.199 1.00 0.00 H new ATOM 0 HA LEU A 40 3.685 -4.886 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.636 -7.320 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.906 -7.703 2.675 1.00 0.00 H new ATOM 0 HG LEU A 40 4.676 -6.217 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.864 -8.324 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.173 -7.946 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.055 -9.186 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.696 -7.612 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.957 -8.444 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.343 -6.710 3.432 1.00 0.00 H new ATOM 655 N ARG A 41 4.196 -5.635 0.555 1.00 0.00 N ATOM 656 CA ARG A 41 5.114 -5.468 -0.562 1.00 0.00 C ATOM 657 C ARG A 41 5.521 -4.006 -0.698 1.00 0.00 C ATOM 658 O ARG A 41 6.692 -3.694 -0.910 1.00 0.00 O ATOM 659 CB ARG A 41 4.466 -5.956 -1.860 1.00 0.00 C ATOM 660 CG ARG A 41 4.901 -7.354 -2.269 1.00 0.00 C ATOM 661 CD ARG A 41 4.345 -8.408 -1.324 1.00 0.00 C ATOM 662 NE ARG A 41 5.105 -9.654 -1.387 1.00 0.00 N ATOM 663 CZ ARG A 41 6.273 -9.842 -0.777 1.00 0.00 C ATOM 664 NH1 ARG A 41 6.819 -8.868 -0.058 1.00 0.00 N ATOM 665 NH2 ARG A 41 6.898 -11.006 -0.886 1.00 0.00 N ATOM 0 H ARG A 41 3.258 -5.935 0.291 1.00 0.00 H new ATOM 0 HA ARG A 41 6.006 -6.064 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.382 -5.941 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.710 -5.259 -2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.563 -7.559 -3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.990 -7.410 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.361 -8.025 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.303 -8.606 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 41 4.718 -10.425 -1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.343 -7.970 0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.714 -9.018 0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.484 -11.758 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.793 -11.150 -0.419 1.00 0.00 H new ATOM 679 N VAL A 42 4.546 -3.112 -0.564 1.00 0.00 N ATOM 680 CA VAL A 42 4.804 -1.681 -0.662 1.00 0.00 C ATOM 681 C VAL A 42 5.797 -1.233 0.407 1.00 0.00 C ATOM 682 O VAL A 42 6.484 -0.225 0.245 1.00 0.00 O ATOM 683 CB VAL A 42 3.502 -0.864 -0.526 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.784 0.627 -0.643 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.488 -1.301 -1.573 1.00 0.00 C ATOM 0 H VAL A 42 3.571 -3.354 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 42 5.231 -1.498 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 42 3.082 -1.053 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.851 1.183 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.472 0.930 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.230 0.838 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.576 -0.715 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.902 -1.144 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.259 -2.358 -1.438 1.00 0.00 H new ATOM 695 N GLY A 43 5.872 -1.994 1.494 1.00 0.00 N ATOM 696 CA GLY A 43 6.789 -1.665 2.566 1.00 0.00 C ATOM 697 C GLY A 43 8.215 -2.050 2.231 1.00 0.00 C ATOM 698 O GLY A 43 9.152 -1.307 2.521 1.00 0.00 O ATOM 0 H GLY A 43 5.313 -2.833 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.740 -0.595 2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.480 -2.177 3.477 1.00 0.00 H new ATOM 702 N GLN A 44 8.376 -3.214 1.609 1.00 0.00 N ATOM 703 CA GLN A 44 9.695 -3.697 1.221 1.00 0.00 C ATOM 704 C GLN A 44 10.291 -2.808 0.135 1.00 0.00 C ATOM 705 O GLN A 44 11.508 -2.643 0.051 1.00 0.00 O ATOM 706 CB GLN A 44 9.610 -5.142 0.728 1.00 0.00 C ATOM 707 CG GLN A 44 10.880 -5.942 0.966 1.00 0.00 C ATOM 708 CD GLN A 44 10.833 -6.742 2.253 1.00 0.00 C ATOM 709 OE1 GLN A 44 10.088 -6.412 3.175 1.00 0.00 O ATOM 710 NE2 GLN A 44 11.630 -7.802 2.320 1.00 0.00 N ATOM 0 H GLN A 44 7.609 -3.840 1.363 1.00 0.00 H new ATOM 0 HA GLN A 44 10.344 -3.662 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.778 -5.639 1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.386 -5.141 -0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.041 -6.619 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.732 -5.263 0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.232 -8.038 1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.641 -8.380 3.161 1.00 0.00 H new ATOM 719 N ILE A 45 9.422 -2.234 -0.690 1.00 0.00 N ATOM 720 CA ILE A 45 9.857 -1.355 -1.768 1.00 0.00 C ATOM 721 C ILE A 45 10.580 -0.135 -1.207 1.00 0.00 C ATOM 722 O ILE A 45 11.490 0.402 -1.836 1.00 0.00 O ATOM 723 CB ILE A 45 8.654 -0.906 -2.630 1.00 0.00 C ATOM 724 CG1 ILE A 45 7.979 -2.125 -3.259 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.083 0.077 -3.714 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.549 -1.873 -3.687 1.00 0.00 C ATOM 0 H ILE A 45 8.412 -2.362 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 45 10.548 -1.914 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 45 7.943 -0.396 -1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.558 -2.443 -4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.996 -2.948 -2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.214 0.373 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.525 0.959 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.817 -0.397 -4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.135 -2.781 -4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.955 -1.584 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.526 -1.072 -4.426 1.00 0.00 H new ATOM 738 N LEU A 46 10.179 0.293 -0.017 1.00 0.00 N ATOM 739 CA LEU A 46 10.805 1.442 0.619 1.00 0.00 C ATOM 740 C LEU A 46 12.143 1.050 1.231 1.00 0.00 C ATOM 741 O LEU A 46 13.152 1.728 1.033 1.00 0.00 O ATOM 742 CB LEU A 46 9.886 2.033 1.692 1.00 0.00 C ATOM 743 CG LEU A 46 9.450 3.479 1.449 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.854 4.073 2.715 1.00 0.00 C ATOM 745 CD2 LEU A 46 10.622 4.321 0.963 1.00 0.00 C ATOM 0 H LEU A 46 9.428 -0.136 0.524 1.00 0.00 H new ATOM 0 HA LEU A 46 10.979 2.200 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.995 1.409 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.396 1.980 2.654 1.00 0.00 H new ATOM 0 HG LEU A 46 8.685 3.481 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.549 5.102 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.986 3.487 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.599 4.056 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.290 5.346 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.412 4.313 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.005 3.908 0.030 1.00 0.00 H new ATOM 757 N LYS A 47 12.147 -0.054 1.967 1.00 0.00 N ATOM 758 CA LYS A 47 13.364 -0.544 2.597 1.00 0.00 C ATOM 759 C LYS A 47 14.325 -1.087 1.544 1.00 0.00 C ATOM 760 O LYS A 47 15.530 -1.181 1.778 1.00 0.00 O ATOM 761 CB LYS A 47 13.035 -1.627 3.632 1.00 0.00 C ATOM 762 CG LYS A 47 12.747 -2.994 3.028 1.00 0.00 C ATOM 763 CD LYS A 47 12.083 -3.920 4.034 1.00 0.00 C ATOM 764 CE LYS A 47 10.763 -3.354 4.531 1.00 0.00 C ATOM 765 NZ LYS A 47 10.895 -2.736 5.879 1.00 0.00 N ATOM 0 H LYS A 47 11.321 -0.626 2.142 1.00 0.00 H new ATOM 0 HA LYS A 47 13.846 0.287 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.870 -1.717 4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.170 -1.309 4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.102 -2.879 2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.677 -3.442 2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.912 -4.894 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.752 -4.079 4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.399 -2.608 3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.018 -4.149 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.280 -1.900 5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.614 -3.425 6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.883 -2.451 6.035 1.00 0.00 H new ATOM 779 N GLU A 48 13.782 -1.440 0.380 1.00 0.00 N ATOM 780 CA GLU A 48 14.586 -1.970 -0.712 1.00 0.00 C ATOM 781 C GLU A 48 15.713 -1.003 -1.072 1.00 0.00 C ATOM 782 O GLU A 48 15.465 0.063 -1.632 1.00 0.00 O ATOM 783 CB GLU A 48 13.704 -2.220 -1.937 1.00 0.00 C ATOM 784 CG GLU A 48 13.218 -3.656 -2.053 1.00 0.00 C ATOM 785 CD GLU A 48 14.264 -4.577 -2.653 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.361 -4.690 -2.067 1.00 0.00 O ATOM 787 OE2 GLU A 48 13.985 -5.184 -3.707 1.00 0.00 O ATOM 0 H GLU A 48 12.786 -1.367 0.172 1.00 0.00 H new ATOM 0 HA GLU A 48 15.028 -2.912 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.841 -1.555 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.263 -1.960 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.939 -4.023 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.319 -3.683 -2.668 1.00 0.00 H new ATOM 794 N PRO A 49 16.972 -1.356 -0.755 1.00 0.00 N ATOM 795 CA PRO A 49 18.125 -0.501 -1.055 1.00 0.00 C ATOM 796 C PRO A 49 18.169 -0.075 -2.519 1.00 0.00 C ATOM 797 O PRO A 49 18.762 0.948 -2.859 1.00 0.00 O ATOM 798 CB PRO A 49 19.326 -1.387 -0.717 1.00 0.00 C ATOM 799 CG PRO A 49 18.808 -2.362 0.283 1.00 0.00 C ATOM 800 CD PRO A 49 17.371 -2.607 -0.084 1.00 0.00 C ATOM 0 HA PRO A 49 18.096 0.431 -0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.706 -1.894 -1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.148 -0.800 -0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.381 -3.289 0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.890 -1.964 1.295 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.266 -3.468 -0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.759 -2.804 0.796 1.00 0.00 H new ATOM 808 N LYS A 50 17.536 -0.864 -3.381 1.00 0.00 N ATOM 809 CA LYS A 50 17.500 -0.561 -4.807 1.00 0.00 C ATOM 810 C LYS A 50 16.262 0.262 -5.163 1.00 0.00 C ATOM 811 O LYS A 50 16.097 0.686 -6.306 1.00 0.00 O ATOM 812 CB LYS A 50 17.520 -1.854 -5.624 1.00 0.00 C ATOM 813 CG LYS A 50 18.919 -2.338 -5.964 1.00 0.00 C ATOM 814 CD LYS A 50 19.546 -3.088 -4.799 1.00 0.00 C ATOM 815 CE LYS A 50 19.415 -4.593 -4.972 1.00 0.00 C ATOM 816 NZ LYS A 50 20.593 -5.320 -4.422 1.00 0.00 N ATOM 0 H LYS A 50 17.042 -1.717 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 50 18.384 0.029 -5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.000 -2.634 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.964 -1.698 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.878 -2.989 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.545 -1.487 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.599 -2.820 -4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.066 -2.784 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.510 -4.938 -4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.305 -4.829 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.465 -6.343 -4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.454 -5.009 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.684 -5.116 -3.406 1.00 0.00 H new ATOM 830 N MET A 51 15.395 0.483 -4.178 1.00 0.00 N ATOM 831 CA MET A 51 14.176 1.252 -4.392 1.00 0.00 C ATOM 832 C MET A 51 13.927 2.233 -3.246 1.00 0.00 C ATOM 833 O MET A 51 12.843 2.804 -3.134 1.00 0.00 O ATOM 834 CB MET A 51 12.981 0.310 -4.542 1.00 0.00 C ATOM 835 CG MET A 51 11.738 0.977 -5.108 1.00 0.00 C ATOM 836 SD MET A 51 12.048 1.849 -6.657 1.00 0.00 S ATOM 837 CE MET A 51 11.321 3.445 -6.294 1.00 0.00 C ATOM 0 H MET A 51 15.515 0.140 -3.225 1.00 0.00 H new ATOM 0 HA MET A 51 14.300 1.829 -5.309 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.264 -0.519 -5.191 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.741 -0.115 -3.567 1.00 0.00 H new ATOM 0 HG2 MET A 51 10.969 0.222 -5.270 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.344 1.680 -4.374 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.479 4.117 -7.137 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.252 3.327 -6.120 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.789 3.864 -5.403 1.00 0.00 H new ATOM 847 N ALA A 52 14.935 2.429 -2.397 1.00 0.00 N ATOM 848 CA ALA A 52 14.812 3.343 -1.269 1.00 0.00 C ATOM 849 C ALA A 52 15.233 4.755 -1.664 1.00 0.00 C ATOM 850 O ALA A 52 14.517 5.722 -1.403 1.00 0.00 O ATOM 851 CB ALA A 52 15.645 2.850 -0.095 1.00 0.00 C ATOM 0 H ALA A 52 15.842 1.968 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 52 13.765 3.373 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.543 3.543 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.297 1.863 0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.692 2.791 -0.391 1.00 0.00 H new ATOM 857 N ALA A 53 16.396 4.864 -2.297 1.00 0.00 N ATOM 858 CA ALA A 53 16.908 6.158 -2.731 1.00 0.00 C ATOM 859 C ALA A 53 15.960 6.811 -3.732 1.00 0.00 C ATOM 860 O ALA A 53 15.893 8.036 -3.830 1.00 0.00 O ATOM 861 CB ALA A 53 18.293 6.000 -3.338 1.00 0.00 C ATOM 0 H ALA A 53 17.001 4.073 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 53 16.979 6.807 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.663 6.974 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.971 5.581 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.239 5.332 -4.198 1.00 0.00 H new ATOM 867 N SER A 54 15.228 5.984 -4.472 1.00 0.00 N ATOM 868 CA SER A 54 14.283 6.479 -5.465 1.00 0.00 C ATOM 869 C SER A 54 13.015 7.001 -4.798 1.00 0.00 C ATOM 870 O SER A 54 12.562 8.108 -5.085 1.00 0.00 O ATOM 871 CB SER A 54 13.930 5.371 -6.460 1.00 0.00 C ATOM 872 OG SER A 54 15.068 4.970 -7.203 1.00 0.00 O ATOM 0 H SER A 54 15.272 4.967 -4.402 1.00 0.00 H new ATOM 0 HA SER A 54 14.756 7.303 -6.000 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.521 4.514 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.154 5.722 -7.140 1.00 0.00 H new ATOM 0 HG SER A 54 14.816 4.260 -7.830 1.00 0.00 H new ATOM 878 N LEU A 55 12.446 6.195 -3.908 1.00 0.00 N ATOM 879 CA LEU A 55 11.229 6.576 -3.200 1.00 0.00 C ATOM 880 C LEU A 55 11.442 7.854 -2.393 1.00 0.00 C ATOM 881 O LEU A 55 10.503 8.612 -2.153 1.00 0.00 O ATOM 882 CB LEU A 55 10.775 5.443 -2.278 1.00 0.00 C ATOM 883 CG LEU A 55 9.809 4.441 -2.912 1.00 0.00 C ATOM 884 CD1 LEU A 55 9.854 3.114 -2.170 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.394 5.000 -2.922 1.00 0.00 C ATOM 0 H LEU A 55 12.808 5.274 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 55 10.452 6.765 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.656 4.904 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.298 5.878 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 55 10.118 4.268 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.160 2.413 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.864 2.707 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.570 3.269 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.719 4.274 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.075 5.201 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.372 5.925 -3.497 1.00 0.00 H new ATOM 897 N LEU A 56 12.683 8.085 -1.975 1.00 0.00 N ATOM 898 CA LEU A 56 13.016 9.271 -1.194 1.00 0.00 C ATOM 899 C LEU A 56 13.749 10.308 -2.046 1.00 0.00 C ATOM 900 O LEU A 56 14.382 11.221 -1.517 1.00 0.00 O ATOM 901 CB LEU A 56 13.877 8.883 0.010 1.00 0.00 C ATOM 902 CG LEU A 56 14.258 10.041 0.939 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.005 9.668 2.392 1.00 0.00 C ATOM 904 CD2 LEU A 56 15.714 10.440 0.732 1.00 0.00 C ATOM 0 H LEU A 56 13.473 7.468 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 56 12.084 9.716 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.343 8.132 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.791 8.414 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 56 13.631 10.898 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.282 10.503 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.948 9.438 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.603 8.795 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.964 11.263 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.359 9.588 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.862 10.754 -0.301 1.00 0.00 H new ATOM 916 N ASN A 57 13.659 10.165 -3.365 1.00 0.00 N ATOM 917 CA ASN A 57 14.317 11.094 -4.276 1.00 0.00 C ATOM 918 C ASN A 57 13.297 12.009 -4.953 1.00 0.00 C ATOM 919 O ASN A 57 12.264 11.546 -5.436 1.00 0.00 O ATOM 920 CB ASN A 57 15.113 10.325 -5.333 1.00 0.00 C ATOM 921 CG ASN A 57 16.607 10.372 -5.079 1.00 0.00 C ATOM 922 OD1 ASN A 57 17.053 10.388 -3.930 1.00 0.00 O ATOM 923 ND2 ASN A 57 17.390 10.398 -6.151 1.00 0.00 N ATOM 0 H ASN A 57 13.139 9.418 -3.825 1.00 0.00 H new ATOM 0 HA ASN A 57 15.001 11.712 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.782 9.286 -5.349 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.901 10.742 -6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.404 10.433 -6.042 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.978 10.383 -7.084 1.00 0.00 H new ATOM 930 N PRO A 58 13.575 13.325 -5.003 1.00 0.00 N ATOM 931 CA PRO A 58 12.677 14.296 -5.631 1.00 0.00 C ATOM 932 C PRO A 58 12.784 14.290 -7.155 1.00 0.00 C ATOM 933 O PRO A 58 12.115 15.068 -7.835 1.00 0.00 O ATOM 934 CB PRO A 58 13.166 15.628 -5.067 1.00 0.00 C ATOM 935 CG PRO A 58 14.622 15.420 -4.831 1.00 0.00 C ATOM 936 CD PRO A 58 14.788 13.969 -4.457 1.00 0.00 C ATOM 0 HA PRO A 58 11.629 14.082 -5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.990 16.444 -5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.646 15.883 -4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.199 15.659 -5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.983 16.070 -4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.695 13.546 -4.889 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.858 13.839 -3.377 1.00 0.00 H new ATOM 944 N TYR A 59 13.629 13.410 -7.684 1.00 0.00 N ATOM 945 CA TYR A 59 13.827 13.302 -9.123 1.00 0.00 C ATOM 946 C TYR A 59 12.756 12.420 -9.758 1.00 0.00 C ATOM 947 O TYR A 59 12.399 12.599 -10.922 1.00 0.00 O ATOM 948 CB TYR A 59 15.216 12.737 -9.418 1.00 0.00 C ATOM 949 CG TYR A 59 16.324 13.428 -8.656 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.598 13.094 -7.334 1.00 0.00 C ATOM 951 CD2 TYR A 59 17.092 14.418 -9.255 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.606 13.727 -6.634 1.00 0.00 C ATOM 953 CE2 TYR A 59 18.103 15.055 -8.560 1.00 0.00 C ATOM 954 CZ TYR A 59 18.356 14.706 -7.250 1.00 0.00 C ATOM 955 OH TYR A 59 19.360 15.338 -6.555 1.00 0.00 O ATOM 0 H TYR A 59 14.189 12.759 -7.133 1.00 0.00 H new ATOM 0 HA TYR A 59 13.746 14.299 -9.555 1.00 0.00 H new ATOM 0 HB2 TYR A 59 15.226 11.675 -9.174 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.414 12.821 -10.487 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.013 12.328 -6.847 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.896 14.695 -10.280 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.806 13.456 -5.608 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.692 15.822 -9.041 1.00 0.00 H new ATOM 0 HH TYR A 59 19.792 16.000 -7.134 1.00 0.00 H new ATOM 965 N VAL A 60 12.249 11.464 -8.985 1.00 0.00 N ATOM 966 CA VAL A 60 11.220 10.553 -9.474 1.00 0.00 C ATOM 967 C VAL A 60 9.859 11.242 -9.571 1.00 0.00 C ATOM 968 O VAL A 60 8.901 10.666 -10.089 1.00 0.00 O ATOM 969 CB VAL A 60 11.095 9.310 -8.570 1.00 0.00 C ATOM 970 CG1 VAL A 60 10.602 9.697 -7.183 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.174 8.281 -9.206 1.00 0.00 C ATOM 0 H VAL A 60 12.534 11.300 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 60 11.529 10.240 -10.471 1.00 0.00 H new ATOM 0 HB VAL A 60 12.083 8.863 -8.461 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.522 8.804 -6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.307 10.393 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.624 10.172 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.097 7.410 -8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.185 8.717 -9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.579 7.978 -10.171 1.00 0.00 H new ATOM 981 N LYS A 61 9.774 12.472 -9.071 1.00 0.00 N ATOM 982 CA LYS A 61 8.526 13.226 -9.108 1.00 0.00 C ATOM 983 C LYS A 61 7.436 12.516 -8.312 1.00 0.00 C ATOM 984 O LYS A 61 7.680 11.478 -7.696 1.00 0.00 O ATOM 985 CB LYS A 61 8.069 13.427 -10.554 1.00 0.00 C ATOM 986 CG LYS A 61 8.613 14.694 -11.194 1.00 0.00 C ATOM 987 CD LYS A 61 9.860 14.410 -12.016 1.00 0.00 C ATOM 988 CE LYS A 61 10.678 15.673 -12.238 1.00 0.00 C ATOM 989 NZ LYS A 61 10.394 16.294 -13.561 1.00 0.00 N ATOM 0 H LYS A 61 10.553 12.966 -8.636 1.00 0.00 H new ATOM 0 HA LYS A 61 8.707 14.200 -8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.381 12.568 -11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.980 13.455 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.849 15.138 -11.832 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.845 15.424 -10.419 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.471 13.664 -11.508 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.574 13.986 -12.979 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.460 16.390 -11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.739 15.435 -12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.971 17.152 -13.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.625 15.619 -14.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.386 16.545 -13.617 1.00 0.00 H new ATOM 1003 N ARG A 62 6.235 13.082 -8.329 1.00 0.00 N ATOM 1004 CA ARG A 62 5.106 12.504 -7.607 1.00 0.00 C ATOM 1005 C ARG A 62 4.152 11.799 -8.566 1.00 0.00 C ATOM 1006 O ARG A 62 3.496 10.825 -8.198 1.00 0.00 O ATOM 1007 CB ARG A 62 4.360 13.591 -6.832 1.00 0.00 C ATOM 1008 CG ARG A 62 3.307 13.046 -5.881 1.00 0.00 C ATOM 1009 CD ARG A 62 1.912 13.127 -6.484 1.00 0.00 C ATOM 1010 NE ARG A 62 0.952 13.727 -5.561 1.00 0.00 N ATOM 1011 CZ ARG A 62 0.844 15.038 -5.352 1.00 0.00 C ATOM 1012 NH1 ARG A 62 1.634 15.887 -5.998 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -0.057 15.500 -4.496 1.00 0.00 N ATOM 0 H ARG A 62 6.017 13.941 -8.835 1.00 0.00 H new ATOM 0 HA ARG A 62 5.494 11.768 -6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.080 14.180 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.882 14.268 -7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.539 12.009 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.334 13.608 -4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.947 13.713 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.576 12.127 -6.757 1.00 0.00 H new ATOM 0 HE ARG A 62 0.328 13.106 -5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.328 15.536 -6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.547 16.890 -5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.667 14.852 -3.998 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.140 16.504 -4.335 1.00 0.00 H new ATOM 1027 N SER A 63 4.077 12.298 -9.795 1.00 0.00 N ATOM 1028 CA SER A 63 3.202 11.716 -10.806 1.00 0.00 C ATOM 1029 C SER A 63 3.933 10.645 -11.608 1.00 0.00 C ATOM 1030 O SER A 63 3.374 9.588 -11.903 1.00 0.00 O ATOM 1031 CB SER A 63 2.676 12.804 -11.744 1.00 0.00 C ATOM 1032 OG SER A 63 2.121 12.239 -12.919 1.00 0.00 O ATOM 0 H SER A 63 4.612 13.105 -10.115 1.00 0.00 H new ATOM 0 HA SER A 63 2.360 11.249 -10.296 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.920 13.398 -11.230 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.487 13.482 -12.011 1.00 0.00 H new ATOM 0 HG SER A 63 1.790 12.954 -13.501 1.00 0.00 H new ATOM 1038 N VAL A 64 5.185 10.923 -11.957 1.00 0.00 N ATOM 1039 CA VAL A 64 5.990 9.981 -12.723 1.00 0.00 C ATOM 1040 C VAL A 64 6.136 8.656 -11.982 1.00 0.00 C ATOM 1041 O VAL A 64 5.982 7.585 -12.568 1.00 0.00 O ATOM 1042 CB VAL A 64 7.391 10.550 -13.021 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.167 9.615 -13.936 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.285 11.939 -13.634 1.00 0.00 C ATOM 0 H VAL A 64 5.663 11.793 -11.721 1.00 0.00 H new ATOM 0 HA VAL A 64 5.469 9.812 -13.665 1.00 0.00 H new ATOM 0 HB VAL A 64 7.935 10.633 -12.080 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.153 10.035 -14.134 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.277 8.643 -13.455 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.628 9.496 -14.876 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.284 12.324 -13.837 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.721 11.884 -14.565 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.774 12.605 -12.939 1.00 0.00 H new ATOM 1054 N LYS A 65 6.431 8.738 -10.688 1.00 0.00 N ATOM 1055 CA LYS A 65 6.596 7.545 -9.864 1.00 0.00 C ATOM 1056 C LYS A 65 5.356 6.659 -9.931 1.00 0.00 C ATOM 1057 O LYS A 65 5.450 5.434 -9.850 1.00 0.00 O ATOM 1058 CB LYS A 65 6.876 7.939 -8.412 1.00 0.00 C ATOM 1059 CG LYS A 65 7.896 7.043 -7.725 1.00 0.00 C ATOM 1060 CD LYS A 65 7.225 6.020 -6.824 1.00 0.00 C ATOM 1061 CE LYS A 65 8.128 4.822 -6.579 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.127 3.880 -7.733 1.00 0.00 N ATOM 0 H LYS A 65 6.561 9.617 -10.188 1.00 0.00 H new ATOM 0 HA LYS A 65 7.444 6.981 -10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.233 8.969 -8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.943 7.911 -7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.495 6.529 -8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.580 7.654 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.967 6.484 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.292 5.688 -7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.145 5.166 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.800 4.297 -5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.649 2.998 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.624 4.313 -8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.107 3.671 -8.011 1.00 0.00 H new ATOM 1076 N VAL A 66 4.193 7.286 -10.079 1.00 0.00 N ATOM 1077 CA VAL A 66 2.935 6.554 -10.157 1.00 0.00 C ATOM 1078 C VAL A 66 2.933 5.588 -11.336 1.00 0.00 C ATOM 1079 O VAL A 66 2.450 4.461 -11.228 1.00 0.00 O ATOM 1080 CB VAL A 66 1.735 7.511 -10.290 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.426 6.746 -10.168 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.815 8.615 -9.249 1.00 0.00 C ATOM 0 H VAL A 66 4.096 8.299 -10.147 1.00 0.00 H new ATOM 0 HA VAL A 66 2.840 5.990 -9.229 1.00 0.00 H new ATOM 0 HB VAL A 66 1.769 7.972 -11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.410 7.438 -10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.368 5.995 -10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.381 6.255 -9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.959 9.281 -9.358 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.808 8.176 -8.251 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.736 9.181 -9.389 1.00 0.00 H new ATOM 1092 N LYS A 67 3.477 6.036 -12.463 1.00 0.00 N ATOM 1093 CA LYS A 67 3.538 5.210 -13.664 1.00 0.00 C ATOM 1094 C LYS A 67 4.507 4.048 -13.475 1.00 0.00 C ATOM 1095 O LYS A 67 4.288 2.953 -13.993 1.00 0.00 O ATOM 1096 CB LYS A 67 3.962 6.054 -14.867 1.00 0.00 C ATOM 1097 CG LYS A 67 2.829 6.874 -15.464 1.00 0.00 C ATOM 1098 CD LYS A 67 1.852 6.000 -16.232 1.00 0.00 C ATOM 1099 CE LYS A 67 2.169 5.982 -17.718 1.00 0.00 C ATOM 1100 NZ LYS A 67 2.985 4.796 -18.098 1.00 0.00 N ATOM 0 H LYS A 67 3.882 6.966 -12.570 1.00 0.00 H new ATOM 0 HA LYS A 67 2.543 4.804 -13.847 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.765 6.726 -14.564 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.369 5.397 -15.636 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.301 7.399 -14.668 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.240 7.633 -16.129 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.886 4.984 -15.840 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.837 6.367 -16.080 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.240 5.980 -18.287 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.705 6.892 -17.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.778 5.098 -18.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.355 4.340 -17.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.392 4.120 -18.621 1.00 0.00 H new ATOM 1114 N SER A 68 5.580 4.294 -12.730 1.00 0.00 N ATOM 1115 CA SER A 68 6.583 3.268 -12.473 1.00 0.00 C ATOM 1116 C SER A 68 6.035 2.194 -11.539 1.00 0.00 C ATOM 1117 O SER A 68 6.347 1.013 -11.684 1.00 0.00 O ATOM 1118 CB SER A 68 7.841 3.894 -11.867 1.00 0.00 C ATOM 1119 OG SER A 68 7.687 4.105 -10.475 1.00 0.00 O ATOM 0 H SER A 68 5.777 5.195 -12.294 1.00 0.00 H new ATOM 0 HA SER A 68 6.840 2.801 -13.424 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.697 3.244 -12.047 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.052 4.843 -12.360 1.00 0.00 H new ATOM 0 HG SER A 68 6.957 4.740 -10.319 1.00 0.00 H new ATOM 1125 N LEU A 69 5.216 2.614 -10.581 1.00 0.00 N ATOM 1126 CA LEU A 69 4.624 1.688 -9.622 1.00 0.00 C ATOM 1127 C LEU A 69 3.631 0.756 -10.309 1.00 0.00 C ATOM 1128 O LEU A 69 3.499 -0.408 -9.938 1.00 0.00 O ATOM 1129 CB LEU A 69 3.928 2.459 -8.499 1.00 0.00 C ATOM 1130 CG LEU A 69 4.802 2.759 -7.280 1.00 0.00 C ATOM 1131 CD1 LEU A 69 4.417 4.093 -6.661 1.00 0.00 C ATOM 1132 CD2 LEU A 69 4.687 1.641 -6.255 1.00 0.00 C ATOM 0 H LEU A 69 4.947 3.589 -10.448 1.00 0.00 H new ATOM 0 HA LEU A 69 5.425 1.084 -9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.557 3.402 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.059 1.888 -8.172 1.00 0.00 H new ATOM 0 HG LEU A 69 5.840 2.821 -7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.050 4.289 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.551 4.887 -7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.373 4.061 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.315 1.871 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.650 1.548 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.014 0.702 -6.702 1.00 0.00 H new ATOM 1144 N SER A 70 2.932 1.280 -11.311 1.00 0.00 N ATOM 1145 CA SER A 70 1.948 0.496 -12.048 1.00 0.00 C ATOM 1146 C SER A 70 2.622 -0.611 -12.848 1.00 0.00 C ATOM 1147 O SER A 70 2.128 -1.736 -12.905 1.00 0.00 O ATOM 1148 CB SER A 70 1.137 1.398 -12.981 1.00 0.00 C ATOM 1149 OG SER A 70 1.892 1.760 -14.125 1.00 0.00 O ATOM 0 H SER A 70 3.029 2.244 -11.631 1.00 0.00 H new ATOM 0 HA SER A 70 1.274 0.036 -11.325 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.227 0.883 -13.290 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.829 2.296 -12.446 1.00 0.00 H new ATOM 0 HG SER A 70 2.738 2.167 -13.843 1.00 0.00 H new ATOM 1155 N ASP A 71 3.757 -0.293 -13.456 1.00 0.00 N ATOM 1156 CA ASP A 71 4.497 -1.277 -14.234 1.00 0.00 C ATOM 1157 C ASP A 71 5.383 -2.104 -13.315 1.00 0.00 C ATOM 1158 O ASP A 71 5.651 -3.276 -13.580 1.00 0.00 O ATOM 1159 CB ASP A 71 5.342 -0.591 -15.309 1.00 0.00 C ATOM 1160 CG ASP A 71 5.740 -1.539 -16.423 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.712 -2.767 -16.197 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.079 -1.053 -17.523 1.00 0.00 O ATOM 0 H ASP A 71 4.183 0.633 -13.426 1.00 0.00 H new ATOM 0 HA ASP A 71 3.785 -1.937 -14.729 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.782 0.244 -15.729 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.240 -0.175 -14.851 1.00 0.00 H new ATOM 1167 N MET A 72 5.816 -1.489 -12.222 1.00 0.00 N ATOM 1168 CA MET A 72 6.651 -2.170 -11.249 1.00 0.00 C ATOM 1169 C MET A 72 5.804 -3.081 -10.378 1.00 0.00 C ATOM 1170 O MET A 72 6.292 -4.089 -9.866 1.00 0.00 O ATOM 1171 CB MET A 72 7.406 -1.159 -10.383 1.00 0.00 C ATOM 1172 CG MET A 72 8.252 -1.797 -9.293 1.00 0.00 C ATOM 1173 SD MET A 72 8.923 -0.587 -8.136 1.00 0.00 S ATOM 1174 CE MET A 72 7.451 -0.151 -7.213 1.00 0.00 C ATOM 0 H MET A 72 5.601 -0.519 -11.990 1.00 0.00 H new ATOM 0 HA MET A 72 7.382 -2.775 -11.785 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.049 -0.555 -11.023 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.688 -0.481 -9.922 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.647 -2.520 -8.746 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.072 -2.349 -9.752 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.325 0.932 -7.219 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.581 -0.620 -7.673 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.550 -0.499 -6.185 1.00 0.00 H new ATOM 1184 N THR A 73 4.524 -2.740 -10.221 1.00 0.00 N ATOM 1185 CA THR A 73 3.641 -3.569 -9.423 1.00 0.00 C ATOM 1186 C THR A 73 3.481 -4.929 -10.074 1.00 0.00 C ATOM 1187 O THR A 73 3.302 -5.936 -9.392 1.00 0.00 O ATOM 1188 CB THR A 73 2.275 -2.924 -9.229 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.499 -3.720 -8.365 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.483 -2.763 -10.500 1.00 0.00 C ATOM 0 H THR A 73 4.089 -1.912 -10.629 1.00 0.00 H new ATOM 0 HA THR A 73 4.096 -3.682 -8.439 1.00 0.00 H new ATOM 0 HB THR A 73 2.478 -1.931 -8.827 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.984 -3.859 -7.525 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.524 -2.296 -10.275 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.037 -2.134 -11.197 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.314 -3.741 -10.950 1.00 0.00 H new ATOM 1198 N ALA A 74 3.568 -4.959 -11.403 1.00 0.00 N ATOM 1199 CA ALA A 74 3.454 -6.211 -12.132 1.00 0.00 C ATOM 1200 C ALA A 74 4.395 -7.248 -11.531 1.00 0.00 C ATOM 1201 O ALA A 74 4.140 -8.450 -11.599 1.00 0.00 O ATOM 1202 CB ALA A 74 3.758 -6.000 -13.607 1.00 0.00 C ATOM 0 H ALA A 74 3.716 -4.137 -11.988 1.00 0.00 H new ATOM 0 HA ALA A 74 2.431 -6.576 -12.048 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.668 -6.948 -14.136 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.052 -5.282 -14.025 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.773 -5.618 -13.718 1.00 0.00 H new ATOM 1208 N LYS A 75 5.487 -6.767 -10.933 1.00 0.00 N ATOM 1209 CA LYS A 75 6.462 -7.650 -10.311 1.00 0.00 C ATOM 1210 C LYS A 75 6.277 -7.704 -8.796 1.00 0.00 C ATOM 1211 O LYS A 75 6.744 -8.638 -8.144 1.00 0.00 O ATOM 1212 CB LYS A 75 7.883 -7.195 -10.648 1.00 0.00 C ATOM 1213 CG LYS A 75 8.410 -7.764 -11.955 1.00 0.00 C ATOM 1214 CD LYS A 75 9.916 -7.964 -11.908 1.00 0.00 C ATOM 1215 CE LYS A 75 10.286 -9.244 -11.177 1.00 0.00 C ATOM 1216 NZ LYS A 75 11.660 -9.703 -11.522 1.00 0.00 N ATOM 0 H LYS A 75 5.713 -5.774 -10.869 1.00 0.00 H new ATOM 0 HA LYS A 75 6.303 -8.653 -10.708 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.904 -6.106 -10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.551 -7.488 -9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.922 -8.716 -12.162 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.157 -7.091 -12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.312 -7.996 -12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.382 -7.113 -11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.217 -9.081 -10.101 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.569 -10.025 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.874 -10.578 -11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.719 -9.883 -12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.348 -8.968 -11.260 1.00 0.00 H new ATOM 1230 N GLU A 76 5.592 -6.709 -8.233 1.00 0.00 N ATOM 1231 CA GLU A 76 5.360 -6.673 -6.796 1.00 0.00 C ATOM 1232 C GLU A 76 4.259 -7.653 -6.402 1.00 0.00 C ATOM 1233 O GLU A 76 4.503 -8.599 -5.655 1.00 0.00 O ATOM 1234 CB GLU A 76 4.991 -5.257 -6.351 1.00 0.00 C ATOM 1235 CG GLU A 76 5.683 -4.825 -5.068 1.00 0.00 C ATOM 1236 CD GLU A 76 7.125 -4.415 -5.294 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.388 -3.685 -6.272 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.991 -4.824 -4.493 1.00 0.00 O ATOM 0 H GLU A 76 5.192 -5.925 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 76 6.281 -6.970 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.247 -4.557 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.912 -5.199 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.137 -3.991 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.650 -5.643 -4.348 1.00 0.00 H new ATOM 1245 N LYS A 77 3.049 -7.417 -6.919 1.00 0.00 N ATOM 1246 CA LYS A 77 1.890 -8.273 -6.636 1.00 0.00 C ATOM 1247 C LYS A 77 0.582 -7.514 -6.846 1.00 0.00 C ATOM 1248 O LYS A 77 -0.416 -8.087 -7.283 1.00 0.00 O ATOM 1249 CB LYS A 77 1.936 -8.814 -5.201 1.00 0.00 C ATOM 1250 CG LYS A 77 2.415 -10.254 -5.107 1.00 0.00 C ATOM 1251 CD LYS A 77 3.038 -10.548 -3.753 1.00 0.00 C ATOM 1252 CE LYS A 77 3.883 -11.811 -3.790 1.00 0.00 C ATOM 1253 NZ LYS A 77 3.766 -12.594 -2.528 1.00 0.00 N ATOM 0 H LYS A 77 2.845 -6.634 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 77 1.933 -9.110 -7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.594 -8.182 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.941 -8.742 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.576 -10.929 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.144 -10.448 -5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.656 -9.705 -3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.252 -10.657 -3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.573 -12.430 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.927 -11.545 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.713 -12.755 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.189 -12.065 -1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.314 -13.509 -2.728 1.00 0.00 H new ATOM 1267 N PHE A 78 0.588 -6.224 -6.513 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.600 -5.382 -6.644 1.00 0.00 C ATOM 1269 C PHE A 78 -1.255 -5.522 -7.993 1.00 0.00 C ATOM 1270 O PHE A 78 -0.788 -6.260 -8.860 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.258 -3.909 -6.444 1.00 0.00 C ATOM 1272 CG PHE A 78 0.852 -3.685 -5.480 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.813 -4.265 -4.229 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.946 -2.922 -5.837 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.855 -4.085 -3.344 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.986 -2.732 -4.960 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.946 -3.315 -3.708 1.00 0.00 C ATOM 0 H PHE A 78 1.407 -5.737 -6.149 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.289 -5.722 -5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.013 -3.473 -7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.145 -3.382 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.039 -4.864 -3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.984 -2.469 -6.817 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.820 -4.545 -2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.833 -2.128 -5.249 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.763 -3.170 -3.016 1.00 0.00 H new ATOM 1287 N SER A 79 -2.330 -4.759 -8.152 1.00 0.00 N ATOM 1288 CA SER A 79 -3.095 -4.712 -9.390 1.00 0.00 C ATOM 1289 C SER A 79 -4.587 -4.540 -9.126 1.00 0.00 C ATOM 1290 O SER A 79 -5.258 -3.782 -9.823 1.00 0.00 O ATOM 1291 CB SER A 79 -2.880 -5.964 -10.251 1.00 0.00 C ATOM 1292 OG SER A 79 -1.735 -5.826 -11.076 1.00 0.00 O ATOM 0 H SER A 79 -2.697 -4.152 -7.419 1.00 0.00 H new ATOM 0 HA SER A 79 -2.726 -3.844 -9.936 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.765 -6.836 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.760 -6.138 -10.871 1.00 0.00 H new ATOM 0 HG SER A 79 -0.939 -5.715 -10.515 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.152 -5.284 -8.162 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.569 -5.233 -7.877 1.00 0.00 C ATOM 1300 C PRO A 80 -6.959 -4.385 -6.672 1.00 0.00 C ATOM 1301 O PRO A 80 -7.602 -3.347 -6.831 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.883 -6.705 -7.629 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.608 -7.296 -7.084 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.498 -6.291 -7.327 1.00 0.00 C ATOM 0 HA PRO A 80 -7.123 -4.758 -8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.704 -6.818 -6.921 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.186 -7.203 -8.550 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.708 -7.507 -6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.383 -8.242 -7.576 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.127 -5.865 -6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.645 -6.744 -7.832 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.588 -4.813 -5.471 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.940 -4.055 -4.282 1.00 0.00 C ATOM 1314 C LEU A 81 -5.785 -3.176 -3.866 1.00 0.00 C ATOM 1315 O LEU A 81 -5.800 -2.558 -2.803 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.334 -4.986 -3.145 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.756 -5.542 -3.237 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.779 -4.431 -3.053 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.966 -6.244 -4.569 1.00 0.00 C ATOM 0 H LEU A 81 -6.054 -5.665 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.797 -3.424 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.633 -5.821 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.228 -4.450 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.893 -6.269 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.784 -4.847 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.643 -3.970 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.643 -3.679 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.983 -6.634 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.809 -5.536 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.257 -7.067 -4.662 1.00 0.00 H new ATOM 1331 N THR A 82 -4.781 -3.134 -4.721 1.00 0.00 N ATOM 1332 CA THR A 82 -3.605 -2.346 -4.473 1.00 0.00 C ATOM 1333 C THR A 82 -3.286 -1.459 -5.670 1.00 0.00 C ATOM 1334 O THR A 82 -2.333 -0.685 -5.633 1.00 0.00 O ATOM 1335 CB THR A 82 -2.438 -3.262 -4.152 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.865 -4.611 -4.078 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.761 -2.916 -2.842 1.00 0.00 C ATOM 0 H THR A 82 -4.764 -3.646 -5.603 1.00 0.00 H new ATOM 0 HA THR A 82 -3.788 -1.694 -3.619 1.00 0.00 H new ATOM 0 HB THR A 82 -1.722 -3.124 -4.962 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.416 -4.736 -3.277 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.935 -3.605 -2.666 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.380 -1.896 -2.888 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.481 -2.998 -2.028 1.00 0.00 H new ATOM 1345 N SER A 83 -4.097 -1.550 -6.729 1.00 0.00 N ATOM 1346 CA SER A 83 -3.878 -0.720 -7.905 1.00 0.00 C ATOM 1347 C SER A 83 -4.625 0.601 -7.767 1.00 0.00 C ATOM 1348 O SER A 83 -5.011 1.228 -8.754 1.00 0.00 O ATOM 1349 CB SER A 83 -4.319 -1.435 -9.178 1.00 0.00 C ATOM 1350 OG SER A 83 -4.250 -0.571 -10.298 1.00 0.00 O ATOM 0 H SER A 83 -4.896 -2.180 -6.791 1.00 0.00 H new ATOM 0 HA SER A 83 -2.809 -0.522 -7.978 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.686 -2.306 -9.347 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.339 -1.800 -9.059 1.00 0.00 H new ATOM 0 HG SER A 83 -4.883 0.168 -10.181 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.798 1.012 -6.524 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.467 2.253 -6.179 1.00 0.00 C ATOM 1358 C ASN A 84 -4.744 2.822 -4.982 1.00 0.00 C ATOM 1359 O ASN A 84 -4.383 3.998 -4.943 1.00 0.00 O ATOM 1360 CB ASN A 84 -6.943 2.012 -5.856 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.833 2.159 -7.074 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.360 2.454 -8.171 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -9.132 1.955 -6.886 1.00 0.00 N ATOM 0 H ASN A 84 -4.473 0.485 -5.714 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.440 2.949 -7.018 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.062 1.011 -5.441 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.264 2.716 -5.088 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.780 2.041 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.481 1.712 -5.959 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.477 1.936 -4.028 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.727 2.293 -2.849 1.00 0.00 C ATOM 1372 C LEU A 85 -2.288 2.584 -3.264 1.00 0.00 C ATOM 1373 O LEU A 85 -1.546 3.250 -2.543 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.774 1.153 -1.821 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.752 1.253 -0.685 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.287 0.591 0.575 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -1.432 0.621 -1.100 1.00 0.00 C ATOM 0 H LEU A 85 -4.775 0.961 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.162 3.178 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.773 1.119 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.621 0.209 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.578 2.307 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.547 0.672 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.208 1.086 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.491 -0.461 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.717 0.701 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.592 -0.430 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.040 1.139 -1.975 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.901 2.086 -4.451 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.558 2.308 -4.959 1.00 0.00 C ATOM 1391 C ILE A 86 -0.358 3.783 -5.303 1.00 0.00 C ATOM 1392 O ILE A 86 0.605 4.409 -4.861 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.260 1.418 -6.199 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.761 0.337 -5.838 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.245 2.241 -7.381 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.243 -0.674 -4.839 1.00 0.00 C ATOM 0 H ILE A 86 -2.501 1.533 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 86 0.144 2.028 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.196 0.948 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.063 -0.184 -6.747 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.654 0.813 -5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.441 1.581 -8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.510 2.976 -7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.165 2.754 -7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.020 -1.410 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.032 -0.165 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.632 -1.177 -5.251 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.280 4.329 -6.088 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.211 5.729 -6.486 1.00 0.00 C ATOM 1410 C ASN A 87 -1.445 6.633 -5.282 1.00 0.00 C ATOM 1411 O ASN A 87 -0.869 7.717 -5.183 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.243 6.026 -7.574 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.056 7.399 -8.190 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.008 8.026 -8.029 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.072 7.874 -8.900 1.00 0.00 N ATOM 0 H ASN A 87 -2.083 3.823 -6.461 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.216 5.926 -6.885 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.172 5.268 -8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.245 5.955 -7.150 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.003 8.793 -9.338 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.922 7.320 -9.008 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.293 6.177 -4.366 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.602 6.937 -3.163 1.00 0.00 C ATOM 1424 C LEU A 88 -1.388 7.004 -2.245 1.00 0.00 C ATOM 1425 O LEU A 88 -1.191 7.988 -1.533 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.788 6.309 -2.427 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.873 7.295 -1.989 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.189 6.569 -1.755 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.442 8.038 -0.733 1.00 0.00 C ATOM 0 H LEU A 88 -2.779 5.283 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.870 7.952 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.241 5.557 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.415 5.788 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.019 8.024 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.949 7.285 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.505 6.082 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.057 5.819 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.226 8.735 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.268 7.323 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.523 8.589 -0.933 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.574 5.953 -2.268 1.00 0.00 N ATOM 1442 CA LEU A 89 0.622 5.902 -1.439 1.00 0.00 C ATOM 1443 C LEU A 89 1.747 6.726 -2.061 1.00 0.00 C ATOM 1444 O LEU A 89 2.642 7.200 -1.362 1.00 0.00 O ATOM 1445 CB LEU A 89 1.073 4.453 -1.243 1.00 0.00 C ATOM 1446 CG LEU A 89 0.646 3.824 0.084 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.876 2.321 0.063 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.397 4.466 1.240 1.00 0.00 C ATOM 0 H LEU A 89 -0.721 5.129 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 89 0.381 6.329 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.676 3.850 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.160 4.412 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.420 4.003 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.566 1.892 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.293 1.875 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.934 2.117 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.082 4.008 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.468 4.317 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.179 5.534 1.267 1.00 0.00 H new ATOM 1460 N ALA A 90 1.691 6.895 -3.379 1.00 0.00 N ATOM 1461 CA ALA A 90 2.702 7.665 -4.093 1.00 0.00 C ATOM 1462 C ALA A 90 2.159 9.022 -4.537 1.00 0.00 C ATOM 1463 O ALA A 90 2.784 9.715 -5.340 1.00 0.00 O ATOM 1464 CB ALA A 90 3.207 6.881 -5.296 1.00 0.00 C ATOM 0 H ALA A 90 0.957 6.509 -3.973 1.00 0.00 H new ATOM 0 HA ALA A 90 3.532 7.844 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.962 7.467 -5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.646 5.941 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.376 6.673 -5.970 1.00 0.00 H new ATOM 1470 N GLU A 91 0.993 9.399 -4.013 1.00 0.00 N ATOM 1471 CA GLU A 91 0.378 10.675 -4.363 1.00 0.00 C ATOM 1472 C GLU A 91 0.211 11.555 -3.129 1.00 0.00 C ATOM 1473 O GLU A 91 0.799 12.633 -3.038 1.00 0.00 O ATOM 1474 CB GLU A 91 -0.981 10.444 -5.027 1.00 0.00 C ATOM 1475 CG GLU A 91 -1.681 11.728 -5.443 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.074 11.483 -5.988 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -3.225 10.596 -6.855 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.015 12.176 -5.549 1.00 0.00 O ATOM 0 H GLU A 91 0.459 8.840 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 91 1.036 11.187 -5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.844 9.813 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.624 9.896 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.743 12.398 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.083 12.235 -6.200 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.596 11.090 -2.181 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.842 11.835 -0.951 1.00 0.00 C ATOM 1487 C ASN A 92 0.461 12.100 -0.203 1.00 0.00 C ATOM 1488 O ASN A 92 0.591 13.099 0.503 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.814 11.069 -0.051 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.390 11.938 1.049 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -3.715 11.977 1.139 1.00 0.00 O flip ATOM 1492 ND2 ASN A 92 -1.654 12.567 1.809 1.00 0.00 N flip ATOM 0 H ASN A 92 -1.091 10.200 -2.241 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.285 12.794 -1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.627 10.668 -0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.299 10.218 0.394 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.641 12.508 1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.057 13.148 2.544 1.00 0.00 H new ATOM 1499 N GLY A 93 1.424 11.197 -0.363 1.00 0.00 N ATOM 1500 CA GLY A 93 2.703 11.352 0.304 1.00 0.00 C ATOM 1501 C GLY A 93 2.845 10.438 1.505 1.00 0.00 C ATOM 1502 O GLY A 93 3.564 10.753 2.452 1.00 0.00 O ATOM 0 H GLY A 93 1.341 10.362 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.506 11.145 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.820 12.388 0.624 1.00 0.00 H new ATOM 1506 N ARG A 94 2.157 9.301 1.465 1.00 0.00 N ATOM 1507 CA ARG A 94 2.209 8.337 2.558 1.00 0.00 C ATOM 1508 C ARG A 94 3.157 7.188 2.231 1.00 0.00 C ATOM 1509 O ARG A 94 3.013 6.085 2.757 1.00 0.00 O ATOM 1510 CB ARG A 94 0.809 7.793 2.853 1.00 0.00 C ATOM 1511 CG ARG A 94 0.522 7.625 4.337 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.918 7.983 4.672 1.00 0.00 C ATOM 1513 NE ARG A 94 -1.000 8.995 5.722 1.00 0.00 N ATOM 1514 CZ ARG A 94 -0.730 10.285 5.531 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -0.362 10.722 4.333 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -0.829 11.139 6.540 1.00 0.00 N ATOM 0 H ARG A 94 1.557 9.025 0.688 1.00 0.00 H new ATOM 0 HA ARG A 94 2.586 8.851 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.068 8.467 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.691 6.830 2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.720 6.594 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.198 8.257 4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.418 8.349 3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.450 7.086 4.990 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.280 8.696 6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.285 10.069 3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.156 11.711 4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.112 10.808 7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.622 12.127 6.394 1.00 0.00 H new ATOM 1530 N LEU A 95 4.133 7.453 1.366 1.00 0.00 N ATOM 1531 CA LEU A 95 5.107 6.436 0.981 1.00 0.00 C ATOM 1532 C LEU A 95 6.367 6.541 1.835 1.00 0.00 C ATOM 1533 O LEU A 95 7.426 6.033 1.466 1.00 0.00 O ATOM 1534 CB LEU A 95 5.459 6.566 -0.503 1.00 0.00 C ATOM 1535 CG LEU A 95 4.983 5.409 -1.384 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.382 5.641 -2.832 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.545 4.089 -0.879 1.00 0.00 C ATOM 0 H LEU A 95 4.270 8.360 0.920 1.00 0.00 H new ATOM 0 HA LEU A 95 4.659 5.456 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.029 7.493 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.541 6.654 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 95 3.895 5.362 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.035 4.808 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.931 6.566 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.467 5.716 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.196 3.277 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.634 4.125 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.208 3.917 0.143 1.00 0.00 H new ATOM 1549 N THR A 96 6.238 7.189 2.988 1.00 0.00 N ATOM 1550 CA THR A 96 7.351 7.349 3.913 1.00 0.00 C ATOM 1551 C THR A 96 7.041 6.614 5.208 1.00 0.00 C ATOM 1552 O THR A 96 7.918 6.015 5.829 1.00 0.00 O ATOM 1553 CB THR A 96 7.607 8.830 4.194 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.593 9.365 5.028 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.664 9.677 2.942 1.00 0.00 C ATOM 0 H THR A 96 5.367 7.614 3.304 1.00 0.00 H new ATOM 0 HA THR A 96 8.250 6.927 3.464 1.00 0.00 H new ATOM 0 HB THR A 96 8.581 8.866 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.775 10.313 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.848 10.716 3.214 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.469 9.322 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.716 9.604 2.410 1.00 0.00 H new ATOM 1563 N ASN A 97 5.770 6.653 5.591 1.00 0.00 N ATOM 1564 CA ASN A 97 5.301 5.983 6.793 1.00 0.00 C ATOM 1565 C ASN A 97 4.307 4.884 6.424 1.00 0.00 C ATOM 1566 O ASN A 97 3.462 4.501 7.234 1.00 0.00 O ATOM 1567 CB ASN A 97 4.646 6.993 7.739 1.00 0.00 C ATOM 1568 CG ASN A 97 3.378 7.591 7.161 1.00 0.00 C ATOM 1569 OD1 ASN A 97 2.319 6.965 7.176 1.00 0.00 O ATOM 1570 ND2 ASN A 97 3.480 8.812 6.648 1.00 0.00 N ATOM 0 H ASN A 97 5.040 7.148 5.078 1.00 0.00 H new ATOM 0 HA ASN A 97 6.153 5.531 7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.415 6.503 8.685 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.354 7.792 7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.660 9.266 6.246 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.378 9.295 6.656 1.00 0.00 H new ATOM 1577 N THR A 98 4.409 4.391 5.190 1.00 0.00 N ATOM 1578 CA THR A 98 3.516 3.347 4.708 1.00 0.00 C ATOM 1579 C THR A 98 3.632 2.055 5.527 1.00 0.00 C ATOM 1580 O THR A 98 2.644 1.339 5.688 1.00 0.00 O ATOM 1581 CB THR A 98 3.773 3.061 3.222 1.00 0.00 C ATOM 1582 OG1 THR A 98 2.715 2.297 2.672 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.061 2.313 2.952 1.00 0.00 C ATOM 0 H THR A 98 5.102 4.700 4.509 1.00 0.00 H new ATOM 0 HA THR A 98 2.498 3.717 4.831 1.00 0.00 H new ATOM 0 HB THR A 98 3.847 4.044 2.756 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.021 1.859 1.850 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.169 2.150 1.880 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.905 2.898 3.317 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.038 1.351 3.465 1.00 0.00 H new ATOM 1591 N PRO A 99 4.830 1.724 6.058 1.00 0.00 N ATOM 1592 CA PRO A 99 5.015 0.501 6.849 1.00 0.00 C ATOM 1593 C PRO A 99 4.082 0.444 8.051 1.00 0.00 C ATOM 1594 O PRO A 99 3.710 -0.636 8.511 1.00 0.00 O ATOM 1595 CB PRO A 99 6.477 0.578 7.304 1.00 0.00 C ATOM 1596 CG PRO A 99 7.131 1.482 6.319 1.00 0.00 C ATOM 1597 CD PRO A 99 6.085 2.491 5.939 1.00 0.00 C ATOM 0 HA PRO A 99 4.788 -0.394 6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.556 0.972 8.317 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.943 -0.407 7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.005 1.968 6.753 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.476 0.927 5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.096 3.354 6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.235 2.867 4.927 1.00 0.00 H new ATOM 1605 N ALA A 100 3.701 1.613 8.554 1.00 0.00 N ATOM 1606 CA ALA A 100 2.805 1.692 9.699 1.00 0.00 C ATOM 1607 C ALA A 100 1.375 1.360 9.288 1.00 0.00 C ATOM 1608 O ALA A 100 0.627 0.742 10.046 1.00 0.00 O ATOM 1609 CB ALA A 100 2.871 3.077 10.327 1.00 0.00 C ATOM 0 H ALA A 100 3.999 2.517 8.187 1.00 0.00 H new ATOM 0 HA ALA A 100 3.126 0.959 10.439 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.196 3.121 11.182 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.890 3.278 10.658 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.574 3.825 9.591 1.00 0.00 H new ATOM 1615 N VAL A 101 1.003 1.771 8.080 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.334 1.516 7.563 1.00 0.00 C ATOM 1617 C VAL A 101 -0.535 0.033 7.269 1.00 0.00 C ATOM 1618 O VAL A 101 -1.653 -0.477 7.344 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.603 2.322 6.279 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -2.061 2.196 5.863 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -0.222 3.782 6.474 1.00 0.00 C ATOM 0 H VAL A 101 1.611 2.283 7.441 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.037 1.830 8.335 1.00 0.00 H new ATOM 0 HB VAL A 101 0.015 1.912 5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.231 2.773 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.297 1.148 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.701 2.577 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.419 4.335 5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.811 4.206 7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.838 3.852 6.719 1.00 0.00 H new ATOM 1631 N ILE A 102 0.553 -0.655 6.936 1.00 0.00 N ATOM 1632 CA ILE A 102 0.490 -2.079 6.634 1.00 0.00 C ATOM 1633 C ILE A 102 0.195 -2.894 7.889 1.00 0.00 C ATOM 1634 O ILE A 102 -0.446 -3.943 7.825 1.00 0.00 O ATOM 1635 CB ILE A 102 1.807 -2.581 6.007 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.206 -1.696 4.825 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.668 -4.031 5.565 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.688 -1.723 4.525 1.00 0.00 C ATOM 0 H ILE A 102 1.487 -0.249 6.869 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.319 -2.214 5.917 1.00 0.00 H new ATOM 0 HB ILE A 102 2.592 -2.525 6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.658 -2.018 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.904 -0.669 5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.606 -4.369 5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.427 -4.653 6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.871 -4.111 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.899 -1.073 3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.242 -1.373 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.992 -2.742 4.287 1.00 0.00 H new ATOM 1650 N SER A 103 0.665 -2.404 9.032 1.00 0.00 N ATOM 1651 CA SER A 103 0.452 -3.086 10.302 1.00 0.00 C ATOM 1652 C SER A 103 -1.019 -3.049 10.704 1.00 0.00 C ATOM 1653 O SER A 103 -1.574 -4.050 11.155 1.00 0.00 O ATOM 1654 CB SER A 103 1.309 -2.449 11.398 1.00 0.00 C ATOM 1655 OG SER A 103 1.073 -3.064 12.653 1.00 0.00 O ATOM 0 H SER A 103 1.196 -1.536 9.104 1.00 0.00 H new ATOM 0 HA SER A 103 0.748 -4.128 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.364 -2.540 11.138 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.087 -1.384 11.464 1.00 0.00 H new ATOM 0 HG SER A 103 1.634 -2.640 13.336 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.644 -1.888 10.539 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.051 -1.721 10.885 1.00 0.00 C ATOM 1663 C ALA A 104 -3.927 -2.707 10.118 1.00 0.00 C ATOM 1664 O ALA A 104 -4.909 -3.223 10.651 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.496 -0.292 10.613 1.00 0.00 C ATOM 0 H ALA A 104 -1.199 -1.049 10.168 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.165 -1.928 11.949 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.548 -0.182 10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.899 0.395 11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.360 -0.064 9.556 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.564 -2.963 8.866 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.317 -3.889 8.025 1.00 0.00 C ATOM 1673 C PHE A 105 -4.381 -5.272 8.661 1.00 0.00 C ATOM 1674 O PHE A 105 -5.399 -5.960 8.573 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.677 -3.985 6.638 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.598 -4.532 5.584 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.080 -5.830 5.666 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.979 -3.748 4.507 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.924 -6.332 4.696 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.825 -4.245 3.535 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.297 -5.540 3.629 1.00 0.00 C ATOM 0 H PHE A 105 -2.754 -2.543 8.410 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.333 -3.506 7.926 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.339 -2.994 6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.792 -4.619 6.699 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.792 -6.455 6.498 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.610 -2.736 4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.292 -7.344 4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.117 -3.622 2.703 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.957 -5.932 2.869 1.00 0.00 H new ATOM 1691 N SER A 106 -3.287 -5.678 9.296 1.00 0.00 N ATOM 1692 CA SER A 106 -3.220 -6.985 9.939 1.00 0.00 C ATOM 1693 C SER A 106 -4.184 -7.071 11.117 1.00 0.00 C ATOM 1694 O SER A 106 -4.694 -8.145 11.433 1.00 0.00 O ATOM 1695 CB SER A 106 -1.794 -7.279 10.404 1.00 0.00 C ATOM 1696 OG SER A 106 -1.518 -6.643 11.641 1.00 0.00 O ATOM 0 H SER A 106 -2.436 -5.122 9.379 1.00 0.00 H new ATOM 0 HA SER A 106 -3.515 -7.734 9.204 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.657 -8.355 10.507 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.085 -6.937 9.650 1.00 0.00 H new ATOM 0 HG SER A 106 -1.742 -5.691 11.576 1.00 0.00 H new ATOM 1702 N THR A 107 -4.438 -5.938 11.758 1.00 0.00 N ATOM 1703 CA THR A 107 -5.353 -5.902 12.890 1.00 0.00 C ATOM 1704 C THR A 107 -6.770 -5.632 12.415 1.00 0.00 C ATOM 1705 O THR A 107 -7.737 -6.055 13.049 1.00 0.00 O ATOM 1706 CB THR A 107 -4.918 -4.841 13.903 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.599 -5.090 14.355 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.815 -4.772 15.120 1.00 0.00 C ATOM 0 H THR A 107 -4.026 -5.037 11.515 1.00 0.00 H new ATOM 0 HA THR A 107 -5.330 -6.874 13.382 1.00 0.00 H new ATOM 0 HB THR A 107 -4.981 -3.892 13.371 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.339 -4.400 15.000 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.450 -4.000 15.797 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.832 -4.532 14.809 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.810 -5.735 15.631 1.00 0.00 H new ATOM 1716 N MET A 108 -6.892 -4.945 11.287 1.00 0.00 N ATOM 1717 CA MET A 108 -8.194 -4.650 10.725 1.00 0.00 C ATOM 1718 C MET A 108 -8.692 -5.839 9.916 1.00 0.00 C ATOM 1719 O MET A 108 -9.897 -6.027 9.748 1.00 0.00 O ATOM 1720 CB MET A 108 -8.128 -3.406 9.845 1.00 0.00 C ATOM 1721 CG MET A 108 -7.833 -2.130 10.618 1.00 0.00 C ATOM 1722 SD MET A 108 -9.051 -1.799 11.906 1.00 0.00 S ATOM 1723 CE MET A 108 -8.631 -0.114 12.343 1.00 0.00 C ATOM 0 H MET A 108 -6.105 -4.584 10.748 1.00 0.00 H new ATOM 0 HA MET A 108 -8.891 -4.458 11.541 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.358 -3.548 9.086 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.076 -3.292 9.319 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.844 -2.204 11.070 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.805 -1.289 9.925 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.299 0.235 13.131 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.601 -0.076 12.697 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.738 0.526 11.467 1.00 0.00 H new ATOM 1733 N MET A 109 -7.756 -6.651 9.423 1.00 0.00 N ATOM 1734 CA MET A 109 -8.112 -7.826 8.645 1.00 0.00 C ATOM 1735 C MET A 109 -8.659 -8.927 9.552 1.00 0.00 C ATOM 1736 O MET A 109 -9.250 -9.889 9.074 1.00 0.00 O ATOM 1737 CB MET A 109 -6.904 -8.345 7.860 1.00 0.00 C ATOM 1738 CG MET A 109 -5.819 -8.946 8.736 1.00 0.00 C ATOM 1739 SD MET A 109 -4.518 -9.746 7.778 1.00 0.00 S ATOM 1740 CE MET A 109 -3.696 -10.699 9.052 1.00 0.00 C ATOM 0 H MET A 109 -6.753 -6.514 9.550 1.00 0.00 H new ATOM 0 HA MET A 109 -8.889 -7.537 7.937 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.241 -9.097 7.147 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.479 -7.525 7.281 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.380 -8.162 9.354 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.266 -9.674 9.414 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.865 -11.252 8.614 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.319 -10.027 9.823 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.403 -11.399 9.496 1.00 0.00 H new ATOM 1750 N SER A 110 -8.460 -8.787 10.862 1.00 0.00 N ATOM 1751 CA SER A 110 -8.955 -9.783 11.805 1.00 0.00 C ATOM 1752 C SER A 110 -10.326 -9.387 12.343 1.00 0.00 C ATOM 1753 O SER A 110 -11.030 -10.204 12.937 1.00 0.00 O ATOM 1754 CB SER A 110 -7.968 -9.966 12.960 1.00 0.00 C ATOM 1755 OG SER A 110 -6.786 -10.614 12.523 1.00 0.00 O ATOM 0 H SER A 110 -7.966 -8.003 11.288 1.00 0.00 H new ATOM 0 HA SER A 110 -9.053 -10.730 11.275 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.718 -8.994 13.386 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.435 -10.551 13.753 1.00 0.00 H new ATOM 0 HG SER A 110 -6.171 -10.717 13.279 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.709 -8.132 12.122 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.001 -7.639 12.575 1.00 0.00 C ATOM 1763 C VAL A 111 -13.082 -7.904 11.530 1.00 0.00 C ATOM 1764 O VAL A 111 -14.274 -7.854 11.835 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.953 -6.130 12.878 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.256 -5.671 13.516 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -10.769 -5.802 13.776 1.00 0.00 C ATOM 0 H VAL A 111 -10.141 -7.440 11.632 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.243 -8.176 13.492 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.826 -5.594 11.937 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -13.203 -4.602 13.723 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.084 -5.868 12.835 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -13.416 -6.213 14.448 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.752 -4.731 13.979 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.862 -6.348 14.715 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.844 -6.092 13.278 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.663 -8.189 10.298 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.597 -8.463 9.224 1.00 0.00 C ATOM 1779 C HIS A 112 -14.139 -9.886 9.325 1.00 0.00 C ATOM 1780 O HIS A 112 -15.234 -10.179 8.845 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.907 -8.252 7.876 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.183 -9.458 7.369 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.409 -10.273 8.165 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.132 -9.990 6.135 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -10.914 -11.258 7.436 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -11.340 -11.108 6.197 1.00 0.00 N ATOM 0 H HIS A 112 -11.681 -8.235 10.026 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.438 -7.775 9.309 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.653 -7.953 7.140 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.200 -7.427 7.966 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -11.244 -10.137 9.162 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.626 -9.606 5.254 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.272 -12.049 7.793 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.359 -10.771 9.944 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.765 -12.161 10.093 1.00 0.00 C ATOM 1797 C ARG A 113 -14.926 -12.285 11.073 1.00 0.00 C ATOM 1798 O ARG A 113 -15.806 -13.130 10.905 1.00 0.00 O ATOM 1799 CB ARG A 113 -12.585 -13.012 10.568 1.00 0.00 C ATOM 1800 CG ARG A 113 -12.559 -14.406 9.963 1.00 0.00 C ATOM 1801 CD ARG A 113 -11.135 -14.876 9.708 1.00 0.00 C ATOM 1802 NE ARG A 113 -11.095 -16.236 9.176 1.00 0.00 N ATOM 1803 CZ ARG A 113 -10.030 -16.767 8.579 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -8.918 -16.057 8.437 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -10.078 -18.011 8.123 1.00 0.00 N ATOM 0 H ARG A 113 -12.449 -10.549 10.347 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.095 -12.524 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.655 -12.500 10.320 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.623 -13.097 11.654 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.059 -15.104 10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.117 -14.408 9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.649 -14.198 9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.567 -14.833 10.637 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.932 -16.812 9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.876 -15.099 8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.105 -16.469 7.979 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.931 -18.561 8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.262 -18.418 7.666 1.00 0.00 H new ATOM 1819 N GLY A 114 -14.922 -11.437 12.097 1.00 0.00 N ATOM 1820 CA GLY A 114 -15.980 -11.467 13.090 1.00 0.00 C ATOM 1821 C GLY A 114 -17.252 -10.802 12.603 1.00 0.00 C ATOM 1822 O GLY A 114 -18.349 -11.159 13.030 1.00 0.00 O ATOM 0 H GLY A 114 -14.205 -10.730 12.257 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -16.194 -12.502 13.357 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.637 -10.968 13.997 1.00 0.00 H new ATOM 1826 N GLU A 115 -17.103 -9.831 11.708 1.00 0.00 N ATOM 1827 CA GLU A 115 -18.249 -9.113 11.163 1.00 0.00 C ATOM 1828 C GLU A 115 -19.168 -10.057 10.395 1.00 0.00 C ATOM 1829 O GLU A 115 -20.384 -9.863 10.358 1.00 0.00 O ATOM 1830 CB GLU A 115 -17.780 -7.981 10.246 1.00 0.00 C ATOM 1831 CG GLU A 115 -17.544 -6.667 10.972 1.00 0.00 C ATOM 1832 CD GLU A 115 -18.701 -5.698 10.815 1.00 0.00 C ATOM 1833 OE1 GLU A 115 -19.837 -6.163 10.589 1.00 0.00 O ATOM 1834 OE2 GLU A 115 -18.468 -4.476 10.917 1.00 0.00 O ATOM 0 H GLU A 115 -16.201 -9.524 11.345 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.809 -8.688 11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.857 -8.284 9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.524 -7.826 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.382 -6.865 12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -16.633 -6.204 10.592 1.00 0.00 H new ATOM 1841 N VAL A 116 -18.580 -11.080 9.783 1.00 0.00 N ATOM 1842 CA VAL A 116 -19.346 -12.055 9.017 1.00 0.00 C ATOM 1843 C VAL A 116 -19.287 -13.434 9.666 1.00 0.00 C ATOM 1844 O VAL A 116 -18.424 -14.249 9.337 1.00 0.00 O ATOM 1845 CB VAL A 116 -18.831 -12.161 7.569 1.00 0.00 C ATOM 1846 CG1 VAL A 116 -19.759 -13.028 6.733 1.00 0.00 C ATOM 1847 CG2 VAL A 116 -18.682 -10.778 6.952 1.00 0.00 C ATOM 0 H VAL A 116 -17.575 -11.255 9.803 1.00 0.00 H new ATOM 0 HA VAL A 116 -20.378 -11.706 9.004 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.849 -12.634 7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -19.378 -13.091 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -19.809 -14.028 7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -20.756 -12.588 6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.317 -10.873 5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -19.649 -10.276 6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.973 -10.193 7.537 1.00 0.00 H new ATOM 1857 N PRO A 117 -20.209 -13.717 10.603 1.00 0.00 N ATOM 1858 CA PRO A 117 -20.258 -15.006 11.300 1.00 0.00 C ATOM 1859 C PRO A 117 -20.269 -16.186 10.334 1.00 0.00 C ATOM 1860 O PRO A 117 -21.001 -16.184 9.344 1.00 0.00 O ATOM 1861 CB PRO A 117 -21.574 -14.941 12.079 1.00 0.00 C ATOM 1862 CG PRO A 117 -21.825 -13.486 12.275 1.00 0.00 C ATOM 1863 CD PRO A 117 -21.274 -12.802 11.055 1.00 0.00 C ATOM 0 HA PRO A 117 -19.382 -15.161 11.930 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -22.386 -15.412 11.525 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -21.495 -15.462 13.033 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -22.891 -13.286 12.387 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -21.336 -13.124 13.179 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -22.039 -12.666 10.290 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -20.881 -11.813 11.292 1.00 0.00 H new ATOM 1871 N CYS A 118 -19.453 -17.193 10.629 1.00 0.00 N ATOM 1872 CA CYS A 118 -19.369 -18.380 9.786 1.00 0.00 C ATOM 1873 C CYS A 118 -20.534 -19.326 10.060 1.00 0.00 C ATOM 1874 O CYS A 118 -21.144 -19.861 9.134 1.00 0.00 O ATOM 1875 CB CYS A 118 -18.042 -19.105 10.020 1.00 0.00 C ATOM 1876 SG CYS A 118 -16.581 -18.071 9.763 1.00 0.00 S ATOM 0 H CYS A 118 -18.841 -17.211 11.445 1.00 0.00 H new ATOM 0 HA CYS A 118 -19.422 -18.060 8.745 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -18.026 -19.491 11.039 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -17.987 -19.965 9.352 1.00 0.00 H new ATOM 0 HG CYS A 118 -15.509 -18.771 9.987 1.00 0.00 H new ATOM 1882 N THR A 119 -20.837 -19.527 11.339 1.00 0.00 N ATOM 1883 CA THR A 119 -21.928 -20.409 11.735 1.00 0.00 C ATOM 1884 C THR A 119 -22.644 -19.868 12.969 1.00 0.00 C ATOM 1885 O THR A 119 -23.838 -19.575 12.927 1.00 0.00 O ATOM 1886 CB THR A 119 -21.399 -21.816 12.014 1.00 0.00 C ATOM 1887 OG1 THR A 119 -20.136 -21.760 12.653 1.00 0.00 O ATOM 1888 CG2 THR A 119 -21.245 -22.656 10.765 1.00 0.00 C ATOM 0 H THR A 119 -20.343 -19.091 12.117 1.00 0.00 H new ATOM 0 HA THR A 119 -22.642 -20.454 10.913 1.00 0.00 H new ATOM 0 HB THR A 119 -22.146 -22.283 12.656 1.00 0.00 H new ATOM 0 HG1 THR A 119 -19.815 -22.670 12.824 1.00 0.00 H new ATOM 0 HG21 THR A 119 -20.866 -23.642 11.034 1.00 0.00 H new ATOM 0 HG22 THR A 119 -22.213 -22.761 10.275 1.00 0.00 H new ATOM 0 HG23 THR A 119 -20.545 -22.171 10.085 1.00 0.00 H new ATOM 1896 N VAL A 120 -21.904 -19.739 14.066 1.00 0.00 N ATOM 1897 CA VAL A 120 -22.467 -19.233 15.312 1.00 0.00 C ATOM 1898 C VAL A 120 -22.362 -17.714 15.385 1.00 0.00 C ATOM 1899 O VAL A 120 -23.419 -17.049 15.402 1.00 0.00 O ATOM 1900 CB VAL A 120 -21.762 -19.845 16.536 1.00 0.00 C ATOM 1901 CG1 VAL A 120 -22.488 -19.464 17.817 1.00 0.00 C ATOM 1902 CG2 VAL A 120 -21.667 -21.357 16.398 1.00 0.00 C ATOM 1903 OXT VAL A 120 -21.224 -17.202 15.428 1.00 0.00 O ATOM 0 H VAL A 120 -20.914 -19.978 14.117 1.00 0.00 H new ATOM 0 HA VAL A 120 -23.518 -19.523 15.325 1.00 0.00 H new ATOM 0 HB VAL A 120 -20.750 -19.444 16.587 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -21.975 -19.906 18.671 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -22.498 -18.379 17.921 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -23.513 -19.834 17.778 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -21.166 -21.771 17.273 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -22.669 -21.779 16.320 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -21.098 -21.606 15.502 1.00 0.00 H new TER 1913 VAL A 120