USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 715 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 94 LYS NZ :NH3+ -142:sc= -0.345 (180deg=-0.774) USER MOD Set 1.2: A 95 ASN : amide:sc= -5.63 K(o=-6,f=-9.9!) USER MOD Set 2.1: A 38 SER OG : rot -113:sc= 0.807 USER MOD Set 2.2: A 69 GLN : amide:sc= -5.37! C(o=-4.6!,f=-13!) USER MOD Set 3.1: A 61 SER OG : rot 92:sc= 0.904 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 161:sc= 0.347 (180deg=0.188) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= -0.976 (180deg=-1.03) USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= 0.481 (180deg=0.0846) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 30:sc= -1.51 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0157 F(o=-0.59,f=-0.016) USER MOD Single : A 52 MET CE :methyl -163:sc= -2.5! (180deg=-4.23!) USER MOD Single : A 53 MET CE :methyl -164:sc= -2.65! (180deg=-3.32!) USER MOD Single : A 54 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-2.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.159 F(o=-0.79,f=-0.16) USER MOD Single : A 71 MET CE :methyl -148:sc= -1.77 (180deg=-6.04!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.269 K(o=0.27,f=-6.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -7:sc= 0.364 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 86 CYS SG : rot 64:sc= -0.831 USER MOD Single : A 87 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.35) USER MOD Single : A 88 SER OG : rot -68:sc= 1.12 USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= -0.167 (180deg=-0.926) USER MOD Single : A 96 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.1) USER MOD Single : A 97 SER OG : rot 122:sc= -0.58 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -2.731 -7.307 -9.911 1.00 0.00 N ATOM 2 CA GLU A 17 -2.966 -6.013 -10.540 1.00 0.00 C ATOM 3 C GLU A 17 -1.929 -4.988 -10.092 1.00 0.00 C ATOM 4 O GLU A 17 -2.193 -4.164 -9.216 1.00 0.00 O ATOM 5 CB GLU A 17 -4.371 -5.508 -10.210 1.00 0.00 C ATOM 6 CG GLU A 17 -4.913 -4.513 -11.221 1.00 0.00 C ATOM 7 CD GLU A 17 -5.797 -3.458 -10.586 1.00 0.00 C ATOM 8 OE1 GLU A 17 -5.285 -2.670 -9.763 1.00 0.00 O ATOM 9 OE2 GLU A 17 -7.002 -3.417 -10.913 1.00 0.00 O ATOM 0 HA GLU A 17 -2.877 -6.144 -11.618 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.049 -6.359 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.358 -5.042 -9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.080 -4.026 -11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.481 -5.047 -11.982 1.00 0.00 H new ATOM 16 N PHE A 18 -0.749 -5.040 -10.705 1.00 0.00 N ATOM 17 CA PHE A 18 0.326 -4.109 -10.375 1.00 0.00 C ATOM 18 C PHE A 18 -0.137 -2.668 -10.576 1.00 0.00 C ATOM 19 O PHE A 18 -0.974 -2.392 -11.434 1.00 0.00 O ATOM 20 CB PHE A 18 1.554 -4.393 -11.238 1.00 0.00 C ATOM 21 CG PHE A 18 2.597 -5.220 -10.542 1.00 0.00 C ATOM 22 CD1 PHE A 18 3.587 -4.615 -9.784 1.00 0.00 C ATOM 23 CD2 PHE A 18 2.586 -6.601 -10.643 1.00 0.00 C ATOM 24 CE1 PHE A 18 4.548 -5.372 -9.143 1.00 0.00 C ATOM 25 CE2 PHE A 18 3.545 -7.364 -10.004 1.00 0.00 C ATOM 26 CZ PHE A 18 4.526 -6.749 -9.253 1.00 0.00 C ATOM 0 H PHE A 18 -0.514 -5.716 -11.432 1.00 0.00 H new ATOM 0 HA PHE A 18 0.594 -4.245 -9.327 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.239 -4.908 -12.146 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.998 -3.447 -11.546 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.607 -3.539 -9.693 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.819 -7.087 -11.228 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.315 -4.888 -8.557 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.527 -8.440 -10.092 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.276 -7.343 -8.752 1.00 0.00 H new ATOM 36 N LYS A 19 0.396 -1.755 -9.769 1.00 0.00 N ATOM 37 CA LYS A 19 0.010 -0.353 -9.863 1.00 0.00 C ATOM 38 C LYS A 19 1.170 0.585 -9.537 1.00 0.00 C ATOM 39 O LYS A 19 1.663 0.607 -8.410 1.00 0.00 O ATOM 40 CB LYS A 19 -1.152 -0.078 -8.906 1.00 0.00 C ATOM 41 CG LYS A 19 -2.279 0.719 -9.534 1.00 0.00 C ATOM 42 CD LYS A 19 -2.838 1.757 -8.570 1.00 0.00 C ATOM 43 CE LYS A 19 -4.199 1.345 -8.035 1.00 0.00 C ATOM 44 NZ LYS A 19 -4.085 0.390 -6.898 1.00 0.00 N ATOM 0 H LYS A 19 1.090 -1.959 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.292 -0.161 -10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.547 -1.028 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.776 0.462 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.916 1.216 -10.434 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.076 0.042 -9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.146 1.894 -7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.921 2.718 -9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.745 2.231 -7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.780 0.888 -8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.018 -0.021 -6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.419 -0.369 -7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.738 0.892 -6.056 1.00 0.00 H new ATOM 58 N ASP A 20 1.578 1.386 -10.520 1.00 0.00 N ATOM 59 CA ASP A 20 2.653 2.353 -10.318 1.00 0.00 C ATOM 60 C ASP A 20 2.117 3.528 -9.516 1.00 0.00 C ATOM 61 O ASP A 20 1.846 4.599 -10.062 1.00 0.00 O ATOM 62 CB ASP A 20 3.210 2.843 -11.658 1.00 0.00 C ATOM 63 CG ASP A 20 2.118 3.212 -12.643 1.00 0.00 C ATOM 64 OD1 ASP A 20 1.633 2.310 -13.358 1.00 0.00 O ATOM 65 OD2 ASP A 20 1.748 4.403 -12.700 1.00 0.00 O ATOM 0 H ASP A 20 1.182 1.384 -11.460 1.00 0.00 H new ATOM 0 HA ASP A 20 3.465 1.871 -9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.848 3.710 -11.487 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.838 2.065 -12.092 1.00 0.00 H new ATOM 70 N VAL A 21 1.946 3.310 -8.219 1.00 0.00 N ATOM 71 CA VAL A 21 1.418 4.335 -7.338 1.00 0.00 C ATOM 72 C VAL A 21 2.391 5.489 -7.179 1.00 0.00 C ATOM 73 O VAL A 21 3.532 5.303 -6.763 1.00 0.00 O ATOM 74 CB VAL A 21 1.082 3.767 -5.945 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.428 4.831 -5.074 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.180 2.550 -6.076 1.00 0.00 C ATOM 0 H VAL A 21 2.167 2.429 -7.756 1.00 0.00 H new ATOM 0 HA VAL A 21 0.503 4.701 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 21 2.010 3.459 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.199 4.410 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.109 5.674 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.493 5.172 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.049 2.159 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.745 2.835 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.687 1.782 -6.660 1.00 0.00 H new ATOM 86 N PHE A 22 1.919 6.684 -7.497 1.00 0.00 N ATOM 87 CA PHE A 22 2.734 7.876 -7.371 1.00 0.00 C ATOM 88 C PHE A 22 2.147 8.780 -6.297 1.00 0.00 C ATOM 89 O PHE A 22 1.141 9.454 -6.525 1.00 0.00 O ATOM 90 CB PHE A 22 2.794 8.627 -8.706 1.00 0.00 C ATOM 91 CG PHE A 22 4.125 9.266 -9.003 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.147 9.276 -8.063 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.353 9.856 -10.236 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.362 9.860 -8.348 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.570 10.441 -10.525 1.00 0.00 C ATOM 96 CZ PHE A 22 6.573 10.442 -9.578 1.00 0.00 C ATOM 0 H PHE A 22 0.975 6.852 -7.844 1.00 0.00 H new ATOM 0 HA PHE A 22 3.746 7.585 -7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.551 7.933 -9.510 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.025 9.400 -8.709 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.988 8.821 -7.097 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.570 9.858 -10.980 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.148 9.861 -7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.736 10.897 -11.490 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.525 10.900 -9.802 1.00 0.00 H new ATOM 106 N ILE A 23 2.764 8.786 -5.123 1.00 0.00 N ATOM 107 CA ILE A 23 2.277 9.605 -4.025 1.00 0.00 C ATOM 108 C ILE A 23 3.052 10.909 -3.928 1.00 0.00 C ATOM 109 O ILE A 23 4.181 10.937 -3.440 1.00 0.00 O ATOM 110 CB ILE A 23 2.371 8.854 -2.684 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.787 7.445 -2.829 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.658 9.630 -1.586 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.277 7.413 -2.946 1.00 0.00 C ATOM 0 H ILE A 23 3.596 8.237 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 23 1.230 9.828 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 23 3.420 8.764 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.220 6.972 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.087 6.848 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.735 9.084 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.120 10.611 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.607 9.752 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.058 6.381 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.167 7.854 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.032 7.981 -3.824 1.00 0.00 H new ATOM 125 N GLU A 24 2.427 11.982 -4.388 1.00 0.00 N ATOM 126 CA GLU A 24 3.038 13.304 -4.357 1.00 0.00 C ATOM 127 C GLU A 24 2.601 14.054 -3.101 1.00 0.00 C ATOM 128 O GLU A 24 1.409 14.142 -2.808 1.00 0.00 O ATOM 129 CB GLU A 24 2.641 14.099 -5.605 1.00 0.00 C ATOM 130 CG GLU A 24 3.803 14.813 -6.273 1.00 0.00 C ATOM 131 CD GLU A 24 3.382 16.101 -6.954 1.00 0.00 C ATOM 132 OE1 GLU A 24 2.994 17.050 -6.242 1.00 0.00 O ATOM 133 OE2 GLU A 24 3.438 16.159 -8.200 1.00 0.00 O ATOM 0 H GLU A 24 1.490 11.963 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 24 4.122 13.189 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.181 13.422 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.885 14.834 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.566 15.034 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.258 14.149 -7.008 1.00 0.00 H new ATOM 140 N LYS A 25 3.565 14.587 -2.360 1.00 0.00 N ATOM 141 CA LYS A 25 3.259 15.317 -1.136 1.00 0.00 C ATOM 142 C LYS A 25 4.285 16.416 -0.879 1.00 0.00 C ATOM 143 O LYS A 25 5.157 16.672 -1.710 1.00 0.00 O ATOM 144 CB LYS A 25 3.215 14.355 0.054 1.00 0.00 C ATOM 145 CG LYS A 25 4.502 13.568 0.252 1.00 0.00 C ATOM 146 CD LYS A 25 4.226 12.165 0.769 1.00 0.00 C ATOM 147 CE LYS A 25 5.037 11.122 0.019 1.00 0.00 C ATOM 148 NZ LYS A 25 6.501 11.291 0.237 1.00 0.00 N ATOM 0 H LYS A 25 4.559 14.528 -2.583 1.00 0.00 H new ATOM 0 HA LYS A 25 2.282 15.785 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.003 14.922 0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.390 13.656 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.042 13.509 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.147 14.095 0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.463 12.115 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.164 11.942 0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.735 10.126 0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.819 11.191 -1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.007 11.123 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.693 12.258 0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.826 10.610 0.953 1.00 0.00 H new ATOM 162 N GLN A 26 4.175 17.059 0.277 1.00 0.00 N ATOM 163 CA GLN A 26 5.093 18.126 0.649 1.00 0.00 C ATOM 164 C GLN A 26 6.188 17.587 1.562 1.00 0.00 C ATOM 165 O GLN A 26 5.917 16.813 2.479 1.00 0.00 O ATOM 166 CB GLN A 26 4.340 19.259 1.346 1.00 0.00 C ATOM 167 CG GLN A 26 3.739 20.272 0.385 1.00 0.00 C ATOM 168 CD GLN A 26 2.234 20.143 0.265 1.00 0.00 C ATOM 169 OE1 GLN A 26 1.507 20.271 1.252 1.00 0.00 O ATOM 170 NE2 GLN A 26 1.756 19.885 -0.948 1.00 0.00 N ATOM 0 H GLN A 26 3.457 16.859 0.974 1.00 0.00 H new ATOM 0 HA GLN A 26 5.552 18.518 -0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.544 18.833 1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.021 19.773 2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.988 21.278 0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.190 20.145 -0.599 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.394 19.787 -1.737 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.751 19.785 -1.089 1.00 0.00 H new ATOM 179 N LYS A 27 7.425 17.997 1.304 1.00 0.00 N ATOM 180 CA LYS A 27 8.563 17.551 2.104 1.00 0.00 C ATOM 181 C LYS A 27 8.261 17.663 3.594 1.00 0.00 C ATOM 182 O LYS A 27 7.956 18.741 4.102 1.00 0.00 O ATOM 183 CB LYS A 27 9.809 18.358 1.752 1.00 0.00 C ATOM 184 CG LYS A 27 10.555 17.808 0.549 1.00 0.00 C ATOM 185 CD LYS A 27 12.010 17.527 0.876 1.00 0.00 C ATOM 186 CE LYS A 27 12.742 16.921 -0.311 1.00 0.00 C ATOM 187 NZ LYS A 27 13.452 17.955 -1.114 1.00 0.00 N ATOM 0 H LYS A 27 7.667 18.637 0.548 1.00 0.00 H new ATOM 0 HA LYS A 27 8.748 16.502 1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.522 19.390 1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.479 18.374 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.074 16.891 0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.497 18.521 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.502 18.453 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.068 16.847 1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.460 16.182 0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.030 16.394 -0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.938 17.501 -1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.764 18.647 -1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.150 18.441 -0.515 1.00 0.00 H new ATOM 201 N GLY A 28 8.325 16.527 4.275 1.00 0.00 N ATOM 202 CA GLY A 28 8.034 16.486 5.691 1.00 0.00 C ATOM 203 C GLY A 28 6.711 15.801 5.962 1.00 0.00 C ATOM 204 O GLY A 28 6.180 15.870 7.071 1.00 0.00 O ATOM 0 H GLY A 28 8.576 15.627 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.832 15.959 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.009 17.501 6.089 1.00 0.00 H new ATOM 208 N GLU A 29 6.172 15.142 4.935 1.00 0.00 N ATOM 209 CA GLU A 29 4.895 14.444 5.060 1.00 0.00 C ATOM 210 C GLU A 29 5.033 12.968 4.702 1.00 0.00 C ATOM 211 O GLU A 29 5.628 12.619 3.683 1.00 0.00 O ATOM 212 CB GLU A 29 3.846 15.097 4.156 1.00 0.00 C ATOM 213 CG GLU A 29 3.147 16.286 4.792 1.00 0.00 C ATOM 214 CD GLU A 29 2.297 15.893 5.985 1.00 0.00 C ATOM 215 OE1 GLU A 29 2.842 15.827 7.107 1.00 0.00 O ATOM 216 OE2 GLU A 29 1.086 15.651 5.797 1.00 0.00 O ATOM 0 H GLU A 29 6.599 15.078 4.011 1.00 0.00 H new ATOM 0 HA GLU A 29 4.576 14.516 6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.326 15.420 3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.099 14.351 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.893 17.016 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.518 16.774 4.047 1.00 0.00 H new ATOM 223 N ILE A 30 4.473 12.101 5.544 1.00 0.00 N ATOM 224 CA ILE A 30 4.527 10.669 5.312 1.00 0.00 C ATOM 225 C ILE A 30 3.427 10.230 4.352 1.00 0.00 C ATOM 226 O ILE A 30 2.361 10.842 4.293 1.00 0.00 O ATOM 227 CB ILE A 30 4.404 9.883 6.631 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.025 10.096 7.247 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.498 10.302 7.602 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.331 8.809 7.643 1.00 0.00 C ATOM 0 H ILE A 30 3.977 12.372 6.393 1.00 0.00 H new ATOM 0 HA ILE A 30 5.497 10.451 4.865 1.00 0.00 H new ATOM 0 HB ILE A 30 4.525 8.821 6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.124 10.731 8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.398 10.633 6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.397 9.738 8.529 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.474 10.102 7.159 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.408 11.367 7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.356 9.039 8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.200 8.181 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.937 8.280 8.379 1.00 0.00 H new ATOM 242 N LEU A 31 3.690 9.165 3.603 1.00 0.00 N ATOM 243 CA LEU A 31 2.723 8.638 2.640 1.00 0.00 C ATOM 244 C LEU A 31 1.337 8.511 3.265 1.00 0.00 C ATOM 245 O LEU A 31 0.328 8.815 2.629 1.00 0.00 O ATOM 246 CB LEU A 31 3.194 7.276 2.131 1.00 0.00 C ATOM 247 CG LEU A 31 2.826 6.956 0.682 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.016 6.356 -0.050 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.635 6.009 0.630 1.00 0.00 C ATOM 0 H LEU A 31 4.567 8.646 3.643 1.00 0.00 H new ATOM 0 HA LEU A 31 2.654 9.336 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.278 7.224 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.775 6.502 2.774 1.00 0.00 H new ATOM 0 HG LEU A 31 2.549 7.885 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.736 6.135 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.843 7.066 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.324 5.437 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.387 5.793 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.885 5.081 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.778 6.474 1.118 1.00 0.00 H new ATOM 261 N GLY A 32 1.296 8.068 4.517 1.00 0.00 N ATOM 262 CA GLY A 32 0.029 7.918 5.209 1.00 0.00 C ATOM 263 C GLY A 32 -0.585 6.544 5.023 1.00 0.00 C ATOM 264 O GLY A 32 -1.807 6.401 5.023 1.00 0.00 O ATOM 0 H GLY A 32 2.117 7.810 5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.177 8.103 6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.668 8.674 4.848 1.00 0.00 H new ATOM 268 N VAL A 33 0.260 5.531 4.870 1.00 0.00 N ATOM 269 CA VAL A 33 -0.219 4.165 4.691 1.00 0.00 C ATOM 270 C VAL A 33 0.386 3.226 5.720 1.00 0.00 C ATOM 271 O VAL A 33 1.608 3.120 5.838 1.00 0.00 O ATOM 272 CB VAL A 33 0.102 3.619 3.288 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.855 4.190 2.257 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.545 3.911 2.915 1.00 0.00 C ATOM 0 H VAL A 33 1.275 5.628 4.866 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.301 4.207 4.820 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.028 2.537 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.610 3.791 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.877 3.913 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.766 5.276 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.751 3.517 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.711 4.988 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.210 3.438 3.637 1.00 0.00 H new ATOM 284 N VAL A 34 -0.475 2.538 6.454 1.00 0.00 N ATOM 285 CA VAL A 34 -0.026 1.593 7.462 1.00 0.00 C ATOM 286 C VAL A 34 -0.058 0.179 6.901 1.00 0.00 C ATOM 287 O VAL A 34 -1.111 -0.461 6.864 1.00 0.00 O ATOM 288 CB VAL A 34 -0.903 1.657 8.727 1.00 0.00 C ATOM 289 CG1 VAL A 34 -0.221 0.946 9.885 1.00 0.00 C ATOM 290 CG2 VAL A 34 -1.222 3.103 9.088 1.00 0.00 C ATOM 0 H VAL A 34 -1.488 2.617 6.370 1.00 0.00 H new ATOM 0 HA VAL A 34 0.994 1.862 7.736 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.843 1.146 8.521 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.855 1.001 10.770 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.054 -0.099 9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.736 1.425 10.093 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.842 3.126 9.984 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.295 3.645 9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.758 3.574 8.264 1.00 0.00 H new ATOM 300 N ILE A 35 1.096 -0.304 6.456 1.00 0.00 N ATOM 301 CA ILE A 35 1.175 -1.642 5.892 1.00 0.00 C ATOM 302 C ILE A 35 1.711 -2.650 6.898 1.00 0.00 C ATOM 303 O ILE A 35 2.571 -2.332 7.717 1.00 0.00 O ATOM 304 CB ILE A 35 2.041 -1.693 4.614 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.426 -1.075 4.842 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.332 -0.989 3.469 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.366 -1.945 5.646 1.00 0.00 C ATOM 0 H ILE A 35 1.979 0.206 6.475 1.00 0.00 H new ATOM 0 HA ILE A 35 0.152 -1.910 5.628 1.00 0.00 H new ATOM 0 HB ILE A 35 2.186 -2.742 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.882 -0.864 3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.306 -0.120 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.953 -1.032 2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.379 -1.481 3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.154 0.052 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.323 -1.436 5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.935 -2.135 6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.519 -2.891 5.127 1.00 0.00 H new ATOM 319 N VAL A 36 1.192 -3.869 6.824 1.00 0.00 N ATOM 320 CA VAL A 36 1.610 -4.942 7.716 1.00 0.00 C ATOM 321 C VAL A 36 2.086 -6.145 6.911 1.00 0.00 C ATOM 322 O VAL A 36 1.696 -6.320 5.760 1.00 0.00 O ATOM 323 CB VAL A 36 0.464 -5.377 8.650 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.276 -4.368 9.771 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.827 -5.563 7.867 1.00 0.00 C ATOM 0 H VAL A 36 0.476 -4.140 6.150 1.00 0.00 H new ATOM 0 HA VAL A 36 2.429 -4.560 8.326 1.00 0.00 H new ATOM 0 HB VAL A 36 0.730 -6.335 9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.537 -4.692 10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.196 -4.294 10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.035 -3.393 9.347 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.623 -5.870 8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.101 -4.623 7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.683 -6.330 7.106 1.00 0.00 H new ATOM 335 N GLU A 37 2.932 -6.970 7.516 1.00 0.00 N ATOM 336 CA GLU A 37 3.457 -8.152 6.841 1.00 0.00 C ATOM 337 C GLU A 37 2.325 -9.041 6.324 1.00 0.00 C ATOM 338 O GLU A 37 1.600 -9.654 7.108 1.00 0.00 O ATOM 339 CB GLU A 37 4.354 -8.950 7.788 1.00 0.00 C ATOM 340 CG GLU A 37 5.531 -9.619 7.095 1.00 0.00 C ATOM 341 CD GLU A 37 6.857 -8.962 7.428 1.00 0.00 C ATOM 342 OE1 GLU A 37 7.150 -7.894 6.851 1.00 0.00 O ATOM 343 OE2 GLU A 37 7.599 -9.515 8.266 1.00 0.00 O ATOM 0 H GLU A 37 3.269 -6.843 8.470 1.00 0.00 H new ATOM 0 HA GLU A 37 4.046 -7.816 5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.731 -8.284 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.755 -9.713 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.568 -10.669 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.377 -9.590 6.016 1.00 0.00 H new ATOM 350 N SER A 38 2.183 -9.107 5.004 1.00 0.00 N ATOM 351 CA SER A 38 1.143 -9.922 4.382 1.00 0.00 C ATOM 352 C SER A 38 1.326 -11.395 4.734 1.00 0.00 C ATOM 353 O SER A 38 1.932 -12.152 3.978 1.00 0.00 O ATOM 354 CB SER A 38 1.157 -9.740 2.861 1.00 0.00 C ATOM 355 OG SER A 38 2.148 -8.808 2.466 1.00 0.00 O ATOM 0 H SER A 38 2.776 -8.605 4.343 1.00 0.00 H new ATOM 0 HA SER A 38 0.179 -9.591 4.767 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.344 -10.700 2.379 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.178 -9.399 2.524 1.00 0.00 H new ATOM 0 HG SER A 38 1.717 -8.008 2.099 1.00 0.00 H new ATOM 361 N GLY A 39 0.800 -11.794 5.889 1.00 0.00 N ATOM 362 CA GLY A 39 0.922 -13.174 6.320 1.00 0.00 C ATOM 363 C GLY A 39 -0.285 -14.015 5.951 1.00 0.00 C ATOM 364 O GLY A 39 -0.541 -15.046 6.572 1.00 0.00 O ATOM 0 H GLY A 39 0.292 -11.187 6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.814 -13.612 5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.061 -13.201 7.401 1.00 0.00 H new ATOM 368 N TRP A 40 -1.031 -13.579 4.938 1.00 0.00 N ATOM 369 CA TRP A 40 -2.212 -14.311 4.499 1.00 0.00 C ATOM 370 C TRP A 40 -1.849 -15.356 3.449 1.00 0.00 C ATOM 371 O TRP A 40 -0.683 -15.504 3.084 1.00 0.00 O ATOM 372 CB TRP A 40 -3.263 -13.350 3.941 1.00 0.00 C ATOM 373 CG TRP A 40 -2.755 -12.480 2.830 1.00 0.00 C ATOM 374 CD1 TRP A 40 -1.551 -12.573 2.190 1.00 0.00 C ATOM 375 CD2 TRP A 40 -3.445 -11.380 2.229 1.00 0.00 C ATOM 376 NE1 TRP A 40 -1.451 -11.595 1.231 1.00 0.00 N ATOM 377 CE2 TRP A 40 -2.602 -10.850 1.234 1.00 0.00 C ATOM 378 CE3 TRP A 40 -4.693 -10.792 2.436 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -2.970 -9.761 0.450 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -5.059 -9.710 1.658 1.00 0.00 C ATOM 381 CH2 TRP A 40 -4.201 -9.205 0.673 1.00 0.00 C ATOM 0 H TRP A 40 -0.839 -12.728 4.410 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.628 -14.824 5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.114 -13.927 3.579 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.628 -12.716 4.749 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.790 -13.308 2.407 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.651 -11.447 0.616 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.362 -11.176 3.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.308 -9.368 -0.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.022 -9.246 1.812 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.517 -8.361 0.078 1.00 0.00 H new ATOM 392 N GLY A 41 -2.855 -16.077 2.968 1.00 0.00 N ATOM 393 CA GLY A 41 -2.623 -17.101 1.966 1.00 0.00 C ATOM 394 C GLY A 41 -2.866 -16.600 0.557 1.00 0.00 C ATOM 395 O GLY A 41 -3.859 -16.961 -0.075 1.00 0.00 O ATOM 0 H GLY A 41 -3.828 -15.971 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.597 -17.460 2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.275 -17.952 2.163 1.00 0.00 H new ATOM 399 N SER A 42 -1.956 -15.768 0.061 1.00 0.00 N ATOM 400 CA SER A 42 -2.076 -15.218 -1.283 1.00 0.00 C ATOM 401 C SER A 42 -0.840 -14.401 -1.651 1.00 0.00 C ATOM 402 O SER A 42 -0.217 -13.779 -0.790 1.00 0.00 O ATOM 403 CB SER A 42 -3.331 -14.352 -1.391 1.00 0.00 C ATOM 404 OG SER A 42 -3.550 -13.932 -2.728 1.00 0.00 O ATOM 0 H SER A 42 -1.128 -15.460 0.570 1.00 0.00 H new ATOM 0 HA SER A 42 -2.157 -16.049 -1.984 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.195 -14.914 -1.037 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.231 -13.480 -0.745 1.00 0.00 H new ATOM 0 HG SER A 42 -4.360 -13.381 -2.769 1.00 0.00 H new ATOM 410 N ILE A 43 -0.486 -14.417 -2.935 1.00 0.00 N ATOM 411 CA ILE A 43 0.680 -13.687 -3.433 1.00 0.00 C ATOM 412 C ILE A 43 1.890 -13.882 -2.519 1.00 0.00 C ATOM 413 O ILE A 43 1.883 -14.747 -1.642 1.00 0.00 O ATOM 414 CB ILE A 43 0.409 -12.172 -3.592 1.00 0.00 C ATOM 415 CG1 ILE A 43 -1.090 -11.871 -3.568 1.00 0.00 C ATOM 416 CG2 ILE A 43 1.028 -11.658 -4.884 1.00 0.00 C ATOM 417 CD1 ILE A 43 -1.607 -11.547 -2.188 1.00 0.00 C ATOM 0 H ILE A 43 -0.994 -14.931 -3.655 1.00 0.00 H new ATOM 0 HA ILE A 43 0.893 -14.103 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 43 0.869 -11.658 -2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.297 -11.032 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.633 -12.731 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.830 -10.591 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.105 -11.827 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.594 -12.188 -5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.677 -11.343 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.430 -12.394 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.088 -10.670 -1.802 1.00 0.00 H new ATOM 429 N LEU A 44 2.925 -13.071 -2.725 1.00 0.00 N ATOM 430 CA LEU A 44 4.133 -13.155 -1.915 1.00 0.00 C ATOM 431 C LEU A 44 4.035 -12.226 -0.704 1.00 0.00 C ATOM 432 O LEU A 44 3.732 -11.042 -0.846 1.00 0.00 O ATOM 433 CB LEU A 44 5.364 -12.794 -2.751 1.00 0.00 C ATOM 434 CG LEU A 44 5.183 -11.603 -3.696 1.00 0.00 C ATOM 435 CD1 LEU A 44 6.473 -10.806 -3.803 1.00 0.00 C ATOM 436 CD2 LEU A 44 4.732 -12.077 -5.069 1.00 0.00 C ATOM 0 H LEU A 44 2.949 -12.350 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 44 4.235 -14.181 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.192 -12.579 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.651 -13.665 -3.340 1.00 0.00 H new ATOM 0 HG LEU A 44 4.411 -10.952 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.325 -9.964 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.755 -10.435 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.266 -11.447 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.608 -11.218 -5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.482 -12.749 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.782 -12.604 -4.978 1.00 0.00 H new ATOM 448 N PRO A 45 4.288 -12.751 0.509 1.00 0.00 N ATOM 449 CA PRO A 45 4.222 -11.957 1.743 1.00 0.00 C ATOM 450 C PRO A 45 5.224 -10.809 1.751 1.00 0.00 C ATOM 451 O PRO A 45 6.408 -11.006 1.477 1.00 0.00 O ATOM 452 CB PRO A 45 4.565 -12.967 2.845 1.00 0.00 C ATOM 453 CG PRO A 45 5.269 -14.079 2.147 1.00 0.00 C ATOM 454 CD PRO A 45 4.660 -14.150 0.777 1.00 0.00 C ATOM 0 HA PRO A 45 3.246 -11.487 1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.199 -12.517 3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.665 -13.323 3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.341 -13.889 2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.141 -15.020 2.682 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.368 -14.528 0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.793 -14.810 0.754 1.00 0.00 H new ATOM 462 N THR A 46 4.747 -9.609 2.073 1.00 0.00 N ATOM 463 CA THR A 46 5.615 -8.439 2.122 1.00 0.00 C ATOM 464 C THR A 46 4.984 -7.298 2.924 1.00 0.00 C ATOM 465 O THR A 46 5.524 -6.889 3.952 1.00 0.00 O ATOM 466 CB THR A 46 5.970 -7.973 0.703 1.00 0.00 C ATOM 467 OG1 THR A 46 6.709 -6.767 0.737 1.00 0.00 O ATOM 468 CG2 THR A 46 4.764 -7.749 -0.183 1.00 0.00 C ATOM 0 H THR A 46 3.771 -9.423 2.302 1.00 0.00 H new ATOM 0 HA THR A 46 6.532 -8.730 2.635 1.00 0.00 H new ATOM 0 HB THR A 46 6.560 -8.786 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.236 -6.730 1.562 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.093 -7.421 -1.169 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.204 -8.680 -0.278 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.125 -6.985 0.259 1.00 0.00 H new ATOM 476 N VAL A 47 3.847 -6.781 2.458 1.00 0.00 N ATOM 477 CA VAL A 47 3.173 -5.685 3.150 1.00 0.00 C ATOM 478 C VAL A 47 1.707 -5.564 2.740 1.00 0.00 C ATOM 479 O VAL A 47 1.336 -5.890 1.614 1.00 0.00 O ATOM 480 CB VAL A 47 3.867 -4.336 2.879 1.00 0.00 C ATOM 481 CG1 VAL A 47 5.126 -4.198 3.716 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.176 -4.182 1.399 1.00 0.00 C ATOM 0 H VAL A 47 3.377 -7.101 1.611 1.00 0.00 H new ATOM 0 HA VAL A 47 3.229 -5.922 4.213 1.00 0.00 H new ATOM 0 HB VAL A 47 3.185 -3.536 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.598 -3.238 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.868 -4.253 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.817 -5.004 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.666 -3.223 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.835 -4.989 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.249 -4.223 0.828 1.00 0.00 H new ATOM 492 N ILE A 48 0.885 -5.069 3.661 1.00 0.00 N ATOM 493 CA ILE A 48 -0.541 -4.873 3.403 1.00 0.00 C ATOM 494 C ILE A 48 -1.013 -3.557 3.992 1.00 0.00 C ATOM 495 O ILE A 48 -1.046 -3.409 5.210 1.00 0.00 O ATOM 496 CB ILE A 48 -1.439 -5.976 4.016 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.665 -7.256 4.337 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.606 -6.278 3.095 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.925 -7.747 5.744 1.00 0.00 C ATOM 0 H ILE A 48 1.182 -4.795 4.597 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.636 -4.897 2.317 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.817 -5.590 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.943 -8.034 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.402 -7.074 4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.228 -7.055 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.200 -5.375 2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.230 -6.621 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.353 -8.657 5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.622 -6.982 6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.988 -7.956 5.866 1.00 0.00 H new ATOM 511 N ILE A 49 -1.407 -2.619 3.138 1.00 0.00 N ATOM 512 CA ILE A 49 -1.912 -1.334 3.610 1.00 0.00 C ATOM 513 C ILE A 49 -3.144 -1.563 4.473 1.00 0.00 C ATOM 514 O ILE A 49 -4.270 -1.294 4.058 1.00 0.00 O ATOM 515 CB ILE A 49 -2.270 -0.399 2.440 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.045 -0.162 1.558 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.822 0.924 2.956 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.391 0.251 0.145 1.00 0.00 C ATOM 0 H ILE A 49 -1.387 -2.722 2.123 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.125 -0.855 4.193 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.044 -0.878 1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.424 0.610 2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.448 -1.073 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.068 1.569 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.720 0.738 3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.073 1.412 3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.474 0.402 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.987 -0.530 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.962 1.179 0.167 1.00 0.00 H new ATOM 530 N ALA A 50 -2.922 -2.080 5.675 1.00 0.00 N ATOM 531 CA ALA A 50 -4.009 -2.365 6.592 1.00 0.00 C ATOM 532 C ALA A 50 -4.855 -1.119 6.816 1.00 0.00 C ATOM 533 O ALA A 50 -6.072 -1.197 6.975 1.00 0.00 O ATOM 534 CB ALA A 50 -3.456 -2.899 7.907 1.00 0.00 C ATOM 0 H ALA A 50 -1.995 -2.310 6.035 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.651 -3.131 6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.280 -3.110 8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.895 -3.815 7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.797 -2.155 8.354 1.00 0.00 H new ATOM 540 N ASN A 51 -4.193 0.034 6.814 1.00 0.00 N ATOM 541 CA ASN A 51 -4.867 1.308 7.002 1.00 0.00 C ATOM 542 C ASN A 51 -4.261 2.382 6.110 1.00 0.00 C ATOM 543 O ASN A 51 -3.319 2.126 5.360 1.00 0.00 O ATOM 544 CB ASN A 51 -4.791 1.746 8.465 1.00 0.00 C ATOM 545 CG ASN A 51 -6.078 1.469 9.206 1.00 0.00 C ATOM 546 OD1 ASN A 51 -6.419 0.197 9.330 1.00 0.00 O flip ATOM 547 ND2 ASN A 51 -6.757 2.388 9.665 1.00 0.00 N flip ATOM 0 H ASN A 51 -3.184 0.109 6.683 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.913 1.175 6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.970 1.225 8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.567 2.812 8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.455 3.355 9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.622 2.183 10.165 1.00 0.00 H new ATOM 554 N MET A 52 -4.814 3.581 6.201 1.00 0.00 N ATOM 555 CA MET A 52 -4.343 4.705 5.406 1.00 0.00 C ATOM 556 C MET A 52 -5.013 5.999 5.855 1.00 0.00 C ATOM 557 O MET A 52 -6.239 6.090 5.909 1.00 0.00 O ATOM 558 CB MET A 52 -4.619 4.448 3.927 1.00 0.00 C ATOM 559 CG MET A 52 -4.234 5.609 3.022 1.00 0.00 C ATOM 560 SD MET A 52 -5.483 5.958 1.770 1.00 0.00 S ATOM 561 CE MET A 52 -6.088 4.309 1.440 1.00 0.00 C ATOM 0 H MET A 52 -5.594 3.802 6.821 1.00 0.00 H new ATOM 0 HA MET A 52 -3.268 4.810 5.552 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.073 3.558 3.614 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.680 4.233 3.796 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.075 6.500 3.629 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.287 5.384 2.532 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.635 4.304 0.497 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.247 3.619 1.375 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.752 3.997 2.246 1.00 0.00 H new ATOM 571 N MET A 53 -4.198 6.998 6.186 1.00 0.00 N ATOM 572 CA MET A 53 -4.709 8.289 6.642 1.00 0.00 C ATOM 573 C MET A 53 -5.809 8.809 5.719 1.00 0.00 C ATOM 574 O MET A 53 -5.607 8.950 4.513 1.00 0.00 O ATOM 575 CB MET A 53 -3.570 9.309 6.724 1.00 0.00 C ATOM 576 CG MET A 53 -3.486 10.017 8.067 1.00 0.00 C ATOM 577 SD MET A 53 -1.785 10.264 8.616 1.00 0.00 S ATOM 578 CE MET A 53 -1.217 8.570 8.729 1.00 0.00 C ATOM 0 H MET A 53 -3.180 6.938 6.147 1.00 0.00 H new ATOM 0 HA MET A 53 -5.138 8.147 7.634 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.625 8.803 6.529 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.701 10.052 5.938 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.985 10.984 7.996 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.024 9.435 8.815 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.299 8.532 9.316 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.982 7.961 9.212 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.024 8.183 7.728 1.00 0.00 H new ATOM 588 N HIS A 54 -6.972 9.089 6.296 1.00 0.00 N ATOM 589 CA HIS A 54 -8.105 9.594 5.529 1.00 0.00 C ATOM 590 C HIS A 54 -7.872 11.038 5.103 1.00 0.00 C ATOM 591 O HIS A 54 -8.258 11.974 5.804 1.00 0.00 O ATOM 592 CB HIS A 54 -9.391 9.495 6.353 1.00 0.00 C ATOM 593 CG HIS A 54 -10.620 9.296 5.521 1.00 0.00 C ATOM 594 ND1 HIS A 54 -10.637 8.529 4.375 1.00 0.00 N ATOM 595 CD2 HIS A 54 -11.880 9.768 5.673 1.00 0.00 C ATOM 596 CE1 HIS A 54 -11.853 8.538 3.859 1.00 0.00 C ATOM 597 NE2 HIS A 54 -12.625 9.283 4.627 1.00 0.00 N ATOM 0 H HIS A 54 -7.155 8.975 7.293 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.207 8.981 4.633 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.300 8.667 7.056 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.505 10.404 6.944 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -9.835 8.032 3.986 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -12.233 10.407 6.469 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.163 8.023 2.961 1.00 0.00 H new ATOM 606 N GLY A 55 -7.234 11.213 3.950 1.00 0.00 N ATOM 607 CA GLY A 55 -6.958 12.547 3.449 1.00 0.00 C ATOM 608 C GLY A 55 -5.471 12.843 3.380 1.00 0.00 C ATOM 609 O GLY A 55 -5.059 14.001 3.448 1.00 0.00 O ATOM 0 H GLY A 55 -6.903 10.455 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.394 12.657 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.442 13.281 4.093 1.00 0.00 H new ATOM 613 N GLY A 56 -4.667 11.793 3.243 1.00 0.00 N ATOM 614 CA GLY A 56 -3.229 11.964 3.165 1.00 0.00 C ATOM 615 C GLY A 56 -2.683 11.654 1.784 1.00 0.00 C ATOM 616 O GLY A 56 -3.448 11.366 0.864 1.00 0.00 O ATOM 0 H GLY A 56 -4.987 10.826 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.973 12.989 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.749 11.315 3.897 1.00 0.00 H new ATOM 620 N PRO A 57 -1.352 11.706 1.608 1.00 0.00 N ATOM 621 CA PRO A 57 -0.714 11.426 0.317 1.00 0.00 C ATOM 622 C PRO A 57 -1.218 10.136 -0.322 1.00 0.00 C ATOM 623 O PRO A 57 -1.528 10.106 -1.514 1.00 0.00 O ATOM 624 CB PRO A 57 0.765 11.306 0.681 1.00 0.00 C ATOM 625 CG PRO A 57 0.921 12.177 1.877 1.00 0.00 C ATOM 626 CD PRO A 57 -0.363 12.043 2.649 1.00 0.00 C ATOM 0 HA PRO A 57 -0.928 12.200 -0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.038 10.274 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.404 11.636 -0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.774 11.865 2.479 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.097 13.213 1.587 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.296 11.263 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.621 12.968 3.164 1.00 0.00 H new ATOM 634 N ALA A 58 -1.300 9.073 0.470 1.00 0.00 N ATOM 635 CA ALA A 58 -1.766 7.789 -0.028 1.00 0.00 C ATOM 636 C ALA A 58 -3.175 7.904 -0.600 1.00 0.00 C ATOM 637 O ALA A 58 -3.441 7.458 -1.716 1.00 0.00 O ATOM 638 CB ALA A 58 -1.730 6.745 1.075 1.00 0.00 C ATOM 0 H ALA A 58 -1.049 9.077 1.459 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.096 7.476 -0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.082 5.790 0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.708 6.634 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.374 7.061 1.896 1.00 0.00 H new ATOM 644 N GLU A 59 -4.073 8.517 0.165 1.00 0.00 N ATOM 645 CA GLU A 59 -5.447 8.698 -0.273 1.00 0.00 C ATOM 646 C GLU A 59 -5.508 9.704 -1.413 1.00 0.00 C ATOM 647 O GLU A 59 -6.339 9.598 -2.316 1.00 0.00 O ATOM 648 CB GLU A 59 -6.319 9.180 0.887 1.00 0.00 C ATOM 649 CG GLU A 59 -7.769 9.403 0.496 1.00 0.00 C ATOM 650 CD GLU A 59 -8.565 10.108 1.576 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.910 9.453 2.582 1.00 0.00 O ATOM 652 OE2 GLU A 59 -8.845 11.313 1.414 1.00 0.00 O ATOM 0 H GLU A 59 -3.871 8.896 1.090 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.825 7.737 -0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.276 8.448 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.908 10.111 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.807 9.992 -0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.234 8.442 0.277 1.00 0.00 H new ATOM 659 N LYS A 60 -4.620 10.684 -1.350 1.00 0.00 N ATOM 660 CA LYS A 60 -4.548 11.734 -2.357 1.00 0.00 C ATOM 661 C LYS A 60 -4.320 11.149 -3.748 1.00 0.00 C ATOM 662 O LYS A 60 -5.014 11.502 -4.702 1.00 0.00 O ATOM 663 CB LYS A 60 -3.425 12.715 -2.017 1.00 0.00 C ATOM 664 CG LYS A 60 -3.875 13.873 -1.139 1.00 0.00 C ATOM 665 CD LYS A 60 -3.889 15.186 -1.906 1.00 0.00 C ATOM 666 CE LYS A 60 -2.587 15.948 -1.731 1.00 0.00 C ATOM 667 NZ LYS A 60 -2.278 16.803 -2.911 1.00 0.00 N ATOM 0 H LYS A 60 -3.931 10.775 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.501 12.263 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.624 12.176 -1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.008 13.112 -2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.872 13.668 -0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.209 13.960 -0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.056 14.988 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.721 15.801 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.648 16.571 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.772 15.242 -1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.382 17.305 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.194 16.207 -3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.043 17.494 -3.048 1.00 0.00 H new ATOM 681 N SER A 61 -3.344 10.254 -3.855 1.00 0.00 N ATOM 682 CA SER A 61 -3.020 9.618 -5.125 1.00 0.00 C ATOM 683 C SER A 61 -4.252 8.972 -5.747 1.00 0.00 C ATOM 684 O SER A 61 -4.430 8.996 -6.964 1.00 0.00 O ATOM 685 CB SER A 61 -1.929 8.568 -4.923 1.00 0.00 C ATOM 686 OG SER A 61 -1.074 8.490 -6.052 1.00 0.00 O ATOM 0 H SER A 61 -2.762 9.952 -3.074 1.00 0.00 H new ATOM 0 HA SER A 61 -2.658 10.389 -5.806 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.344 8.814 -4.037 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.386 7.595 -4.742 1.00 0.00 H new ATOM 0 HG SER A 61 -0.314 9.097 -5.930 1.00 0.00 H new ATOM 692 N GLY A 62 -5.094 8.385 -4.905 1.00 0.00 N ATOM 693 CA GLY A 62 -6.292 7.729 -5.394 1.00 0.00 C ATOM 694 C GLY A 62 -5.986 6.367 -5.989 1.00 0.00 C ATOM 695 O GLY A 62 -6.798 5.805 -6.724 1.00 0.00 O ATOM 0 H GLY A 62 -4.969 8.351 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.004 7.617 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.768 8.356 -6.148 1.00 0.00 H new ATOM 699 N LYS A 63 -4.807 5.841 -5.668 1.00 0.00 N ATOM 700 CA LYS A 63 -4.384 4.541 -6.169 1.00 0.00 C ATOM 701 C LYS A 63 -4.322 3.521 -5.041 1.00 0.00 C ATOM 702 O LYS A 63 -4.913 2.445 -5.125 1.00 0.00 O ATOM 703 CB LYS A 63 -3.010 4.653 -6.828 1.00 0.00 C ATOM 704 CG LYS A 63 -3.033 5.378 -8.160 1.00 0.00 C ATOM 705 CD LYS A 63 -2.640 6.836 -8.011 1.00 0.00 C ATOM 706 CE LYS A 63 -3.306 7.692 -9.071 1.00 0.00 C ATOM 707 NZ LYS A 63 -2.700 9.049 -9.155 1.00 0.00 N ATOM 0 H LYS A 63 -4.127 6.299 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.115 4.208 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.333 5.175 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.604 3.652 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.351 4.886 -8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.031 5.312 -8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.923 7.193 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.557 6.934 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.225 7.198 -10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.369 7.783 -8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.942 9.481 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.068 9.642 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.666 8.973 -9.071 1.00 0.00 H new ATOM 721 N LEU A 64 -3.591 3.870 -3.988 1.00 0.00 N ATOM 722 CA LEU A 64 -3.432 2.989 -2.839 1.00 0.00 C ATOM 723 C LEU A 64 -4.682 2.983 -1.967 1.00 0.00 C ATOM 724 O LEU A 64 -5.099 4.020 -1.450 1.00 0.00 O ATOM 725 CB LEU A 64 -2.223 3.414 -2.008 1.00 0.00 C ATOM 726 CG LEU A 64 -0.879 2.877 -2.502 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.245 3.332 -1.588 1.00 0.00 C ATOM 728 CD2 LEU A 64 -0.912 1.357 -2.597 1.00 0.00 C ATOM 0 H LEU A 64 -3.098 4.759 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.274 1.978 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.178 4.503 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.373 3.084 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.694 3.278 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.194 2.940 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.283 4.421 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.066 2.961 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.053 0.993 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.121 0.935 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.692 1.053 -3.295 1.00 0.00 H new ATOM 740 N ASN A 65 -5.263 1.802 -1.801 1.00 0.00 N ATOM 741 CA ASN A 65 -6.458 1.643 -0.983 1.00 0.00 C ATOM 742 C ASN A 65 -6.241 0.549 0.055 1.00 0.00 C ATOM 743 O ASN A 65 -5.745 -0.530 -0.271 1.00 0.00 O ATOM 744 CB ASN A 65 -7.665 1.305 -1.859 1.00 0.00 C ATOM 745 CG ASN A 65 -7.776 2.214 -3.067 1.00 0.00 C ATOM 746 OD1 ASN A 65 -7.322 1.728 -4.216 1.00 0.00 O flip ATOM 747 ND2 ASN A 65 -8.267 3.339 -2.970 1.00 0.00 N flip ATOM 0 H ASN A 65 -4.925 0.938 -2.224 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.655 2.584 -0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.590 0.270 -2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.575 1.383 -1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.604 3.672 -2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.337 3.938 -3.793 1.00 0.00 H new ATOM 754 N ILE A 66 -6.606 0.836 1.306 1.00 0.00 N ATOM 755 CA ILE A 66 -6.449 -0.116 2.401 1.00 0.00 C ATOM 756 C ILE A 66 -6.645 -1.561 1.935 1.00 0.00 C ATOM 757 O ILE A 66 -7.740 -1.953 1.529 1.00 0.00 O ATOM 758 CB ILE A 66 -7.424 0.208 3.546 1.00 0.00 C ATOM 759 CG1 ILE A 66 -6.921 1.434 4.302 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.575 -0.979 4.489 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.791 1.822 5.468 1.00 0.00 C ATOM 0 H ILE A 66 -7.015 1.728 1.585 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.426 -0.021 2.766 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.407 0.420 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.911 1.239 4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.857 2.275 3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.270 -0.722 5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.959 -1.836 3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.604 -1.229 4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.372 2.701 5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.796 2.049 5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.835 0.997 6.179 1.00 0.00 H new ATOM 773 N GLY A 67 -5.568 -2.338 1.988 1.00 0.00 N ATOM 774 CA GLY A 67 -5.623 -3.725 1.559 1.00 0.00 C ATOM 775 C GLY A 67 -4.702 -3.998 0.383 1.00 0.00 C ATOM 776 O GLY A 67 -4.525 -5.147 -0.024 1.00 0.00 O ATOM 0 H GLY A 67 -4.654 -2.031 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.348 -4.372 2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.647 -3.978 1.283 1.00 0.00 H new ATOM 780 N ASP A 68 -4.109 -2.937 -0.160 1.00 0.00 N ATOM 781 CA ASP A 68 -3.195 -3.053 -1.289 1.00 0.00 C ATOM 782 C ASP A 68 -1.891 -3.710 -0.855 1.00 0.00 C ATOM 783 O ASP A 68 -1.270 -3.285 0.119 1.00 0.00 O ATOM 784 CB ASP A 68 -2.938 -1.672 -1.882 1.00 0.00 C ATOM 785 CG ASP A 68 -3.973 -1.295 -2.925 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.672 -2.202 -3.424 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.085 -0.091 -3.243 1.00 0.00 O ATOM 0 H ASP A 68 -4.248 -1.981 0.168 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.648 -3.684 -2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.941 -0.929 -1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.946 -1.651 -2.333 1.00 0.00 H new ATOM 792 N GLN A 69 -1.481 -4.757 -1.570 1.00 0.00 N ATOM 793 CA GLN A 69 -0.253 -5.460 -1.230 1.00 0.00 C ATOM 794 C GLN A 69 0.943 -4.813 -1.913 1.00 0.00 C ATOM 795 O GLN A 69 1.404 -5.272 -2.958 1.00 0.00 O ATOM 796 CB GLN A 69 -0.352 -6.938 -1.612 1.00 0.00 C ATOM 797 CG GLN A 69 0.041 -7.884 -0.491 1.00 0.00 C ATOM 798 CD GLN A 69 0.682 -9.154 -1.009 1.00 0.00 C ATOM 799 OE1 GLN A 69 0.323 -9.654 -2.073 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.644 -9.679 -0.260 1.00 0.00 N ATOM 0 H GLN A 69 -1.977 -5.131 -2.379 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.111 -5.393 -0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.375 -7.157 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.287 -7.125 -2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.734 -7.378 0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.843 -8.138 0.094 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.910 -9.230 0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.117 -10.531 -0.561 1.00 0.00 H new ATOM 809 N ILE A 70 1.434 -3.738 -1.318 1.00 0.00 N ATOM 810 CA ILE A 70 2.573 -3.012 -1.865 1.00 0.00 C ATOM 811 C ILE A 70 3.760 -3.944 -2.091 1.00 0.00 C ATOM 812 O ILE A 70 4.056 -4.800 -1.257 1.00 0.00 O ATOM 813 CB ILE A 70 2.995 -1.859 -0.932 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.753 -1.095 -0.447 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.971 -0.931 -1.644 1.00 0.00 C ATOM 816 CD1 ILE A 70 2.051 0.285 0.098 1.00 0.00 C ATOM 0 H ILE A 70 1.061 -3.346 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 70 2.262 -2.596 -2.823 1.00 0.00 H new ATOM 0 HB ILE A 70 3.503 -2.272 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.050 -1.003 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.259 -1.681 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.260 -0.122 -0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.858 -1.492 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.495 -0.514 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.123 0.758 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.729 0.202 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.517 0.891 -0.680 1.00 0.00 H new ATOM 828 N MET A 71 4.427 -3.785 -3.231 1.00 0.00 N ATOM 829 CA MET A 71 5.569 -4.629 -3.567 1.00 0.00 C ATOM 830 C MET A 71 6.889 -3.878 -3.411 1.00 0.00 C ATOM 831 O MET A 71 7.887 -4.455 -2.978 1.00 0.00 O ATOM 832 CB MET A 71 5.439 -5.154 -4.997 1.00 0.00 C ATOM 833 CG MET A 71 4.337 -6.186 -5.169 1.00 0.00 C ATOM 834 SD MET A 71 4.824 -7.824 -4.592 1.00 0.00 S ATOM 835 CE MET A 71 3.357 -8.313 -3.689 1.00 0.00 C ATOM 0 H MET A 71 4.198 -3.083 -3.934 1.00 0.00 H new ATOM 0 HA MET A 71 5.572 -5.468 -2.871 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.248 -4.316 -5.667 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.388 -5.595 -5.301 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.452 -5.861 -4.623 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.059 -6.243 -6.221 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.641 -8.952 -2.852 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.849 -7.425 -3.312 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.687 -8.860 -4.352 1.00 0.00 H new ATOM 845 N SER A 72 6.899 -2.596 -3.768 1.00 0.00 N ATOM 846 CA SER A 72 8.114 -1.796 -3.663 1.00 0.00 C ATOM 847 C SER A 72 7.789 -0.310 -3.582 1.00 0.00 C ATOM 848 O SER A 72 6.753 0.135 -4.075 1.00 0.00 O ATOM 849 CB SER A 72 9.028 -2.062 -4.860 1.00 0.00 C ATOM 850 OG SER A 72 8.448 -1.584 -6.061 1.00 0.00 O ATOM 0 H SER A 72 6.088 -2.094 -4.129 1.00 0.00 H new ATOM 0 HA SER A 72 8.627 -2.086 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.992 -1.578 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.219 -3.132 -4.945 1.00 0.00 H new ATOM 0 HG SER A 72 9.053 -1.765 -6.811 1.00 0.00 H new ATOM 856 N ILE A 73 8.682 0.454 -2.959 1.00 0.00 N ATOM 857 CA ILE A 73 8.488 1.892 -2.814 1.00 0.00 C ATOM 858 C ILE A 73 9.664 2.674 -3.389 1.00 0.00 C ATOM 859 O ILE A 73 10.813 2.466 -2.997 1.00 0.00 O ATOM 860 CB ILE A 73 8.288 2.282 -1.340 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.138 1.474 -0.740 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.013 3.774 -1.216 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.461 0.887 0.610 1.00 0.00 C ATOM 0 H ILE A 73 9.546 0.101 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 73 7.588 2.147 -3.374 1.00 0.00 H new ATOM 0 HB ILE A 73 9.201 2.057 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.261 2.115 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.874 0.668 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.874 4.032 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.857 4.334 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.111 4.025 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.602 0.326 0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.318 0.220 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.697 1.690 1.309 1.00 0.00 H new ATOM 875 N ASN A 74 9.368 3.576 -4.323 1.00 0.00 N ATOM 876 CA ASN A 74 10.396 4.394 -4.959 1.00 0.00 C ATOM 877 C ASN A 74 11.571 3.535 -5.419 1.00 0.00 C ATOM 878 O ASN A 74 12.708 4.005 -5.487 1.00 0.00 O ATOM 879 CB ASN A 74 10.892 5.470 -3.989 1.00 0.00 C ATOM 880 CG ASN A 74 10.003 6.698 -3.979 1.00 0.00 C ATOM 881 OD1 ASN A 74 9.533 7.147 -5.024 1.00 0.00 O ATOM 882 ND2 ASN A 74 9.768 7.249 -2.792 1.00 0.00 N ATOM 0 H ASN A 74 8.421 3.758 -4.656 1.00 0.00 H new ATOM 0 HA ASN A 74 9.953 4.872 -5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.941 5.053 -2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.906 5.762 -4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.177 8.078 -2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.178 6.843 -1.951 1.00 0.00 H new ATOM 889 N GLY A 75 11.290 2.274 -5.729 1.00 0.00 N ATOM 890 CA GLY A 75 12.332 1.369 -6.172 1.00 0.00 C ATOM 891 C GLY A 75 12.892 0.532 -5.037 1.00 0.00 C ATOM 892 O GLY A 75 14.022 0.053 -5.110 1.00 0.00 O ATOM 0 H GLY A 75 10.358 1.863 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.933 0.710 -6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.138 1.943 -6.629 1.00 0.00 H new ATOM 896 N THR A 76 12.096 0.355 -3.984 1.00 0.00 N ATOM 897 CA THR A 76 12.517 -0.431 -2.831 1.00 0.00 C ATOM 898 C THR A 76 11.519 -1.545 -2.539 1.00 0.00 C ATOM 899 O THR A 76 10.509 -1.327 -1.871 1.00 0.00 O ATOM 900 CB THR A 76 12.668 0.468 -1.607 1.00 0.00 C ATOM 901 OG1 THR A 76 13.594 1.511 -1.859 1.00 0.00 O ATOM 902 CG2 THR A 76 13.137 -0.272 -0.372 1.00 0.00 C ATOM 0 H THR A 76 11.157 0.746 -3.908 1.00 0.00 H new ATOM 0 HA THR A 76 13.481 -0.884 -3.062 1.00 0.00 H new ATOM 0 HB THR A 76 11.670 0.863 -1.417 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.675 2.076 -1.063 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.223 0.427 0.460 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.417 -1.051 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.109 -0.725 -0.567 1.00 0.00 H new ATOM 910 N SER A 77 11.805 -2.738 -3.050 1.00 0.00 N ATOM 911 CA SER A 77 10.929 -3.887 -2.849 1.00 0.00 C ATOM 912 C SER A 77 10.932 -4.335 -1.391 1.00 0.00 C ATOM 913 O SER A 77 11.991 -4.525 -0.791 1.00 0.00 O ATOM 914 CB SER A 77 11.361 -5.045 -3.753 1.00 0.00 C ATOM 915 OG SER A 77 10.237 -5.686 -4.332 1.00 0.00 O ATOM 0 H SER A 77 12.637 -2.935 -3.607 1.00 0.00 H new ATOM 0 HA SER A 77 9.914 -3.586 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.016 -4.671 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.937 -5.767 -3.174 1.00 0.00 H new ATOM 0 HG SER A 77 9.415 -5.320 -3.943 1.00 0.00 H new ATOM 921 N LEU A 78 9.740 -4.507 -0.829 1.00 0.00 N ATOM 922 CA LEU A 78 9.601 -4.939 0.557 1.00 0.00 C ATOM 923 C LEU A 78 9.402 -6.451 0.646 1.00 0.00 C ATOM 924 O LEU A 78 9.002 -6.973 1.686 1.00 0.00 O ATOM 925 CB LEU A 78 8.419 -4.227 1.217 1.00 0.00 C ATOM 926 CG LEU A 78 8.364 -2.716 0.994 1.00 0.00 C ATOM 927 CD1 LEU A 78 7.050 -2.149 1.509 1.00 0.00 C ATOM 928 CD2 LEU A 78 9.545 -2.039 1.670 1.00 0.00 C ATOM 0 H LEU A 78 8.855 -4.354 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 78 10.521 -4.679 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.495 -4.667 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.452 -4.419 2.289 1.00 0.00 H new ATOM 0 HG LEU A 78 8.423 -2.520 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.028 -1.072 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.220 -2.615 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.959 -2.353 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.492 -0.963 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.516 -2.241 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.474 -2.426 1.252 1.00 0.00 H new ATOM 940 N VAL A 79 9.676 -7.147 -0.452 1.00 0.00 N ATOM 941 CA VAL A 79 9.520 -8.597 -0.496 1.00 0.00 C ATOM 942 C VAL A 79 10.637 -9.302 0.263 1.00 0.00 C ATOM 943 O VAL A 79 11.797 -9.275 -0.153 1.00 0.00 O ATOM 944 CB VAL A 79 9.511 -9.113 -1.947 1.00 0.00 C ATOM 945 CG1 VAL A 79 9.033 -10.557 -1.997 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.648 -8.223 -2.832 1.00 0.00 C ATOM 0 H VAL A 79 10.007 -6.731 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 79 8.564 -8.821 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 79 10.531 -9.079 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.033 -10.905 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.700 -11.182 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.023 -10.620 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.656 -8.607 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.625 -8.217 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.044 -7.207 -2.823 1.00 0.00 H new ATOM 956 N GLY A 80 10.285 -9.946 1.371 1.00 0.00 N ATOM 957 CA GLY A 80 11.273 -10.661 2.157 1.00 0.00 C ATOM 958 C GLY A 80 11.646 -9.942 3.439 1.00 0.00 C ATOM 959 O GLY A 80 11.830 -10.577 4.478 1.00 0.00 O ATOM 0 H GLY A 80 9.334 -9.985 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.887 -11.651 2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.170 -10.808 1.556 1.00 0.00 H new ATOM 963 N LEU A 81 11.763 -8.620 3.372 1.00 0.00 N ATOM 964 CA LEU A 81 12.124 -7.836 4.549 1.00 0.00 C ATOM 965 C LEU A 81 10.956 -7.752 5.530 1.00 0.00 C ATOM 966 O LEU A 81 9.795 -7.722 5.125 1.00 0.00 O ATOM 967 CB LEU A 81 12.582 -6.427 4.154 1.00 0.00 C ATOM 968 CG LEU A 81 11.809 -5.776 3.005 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.645 -4.284 3.251 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.517 -6.025 1.677 1.00 0.00 C ATOM 0 H LEU A 81 11.615 -8.073 2.524 1.00 0.00 H new ATOM 0 HA LEU A 81 12.954 -8.344 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.507 -5.782 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.636 -6.471 3.880 1.00 0.00 H new ATOM 0 HG LEU A 81 10.818 -6.227 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.093 -3.837 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.097 -4.126 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.627 -3.817 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.954 -5.555 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.520 -5.600 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.584 -7.098 1.496 1.00 0.00 H new ATOM 982 N PRO A 82 11.253 -7.715 6.844 1.00 0.00 N ATOM 983 CA PRO A 82 10.224 -7.637 7.886 1.00 0.00 C ATOM 984 C PRO A 82 9.416 -6.346 7.810 1.00 0.00 C ATOM 985 O PRO A 82 9.786 -5.413 7.099 1.00 0.00 O ATOM 986 CB PRO A 82 11.023 -7.691 9.192 1.00 0.00 C ATOM 987 CG PRO A 82 12.402 -7.265 8.818 1.00 0.00 C ATOM 988 CD PRO A 82 12.611 -7.747 7.411 1.00 0.00 C ATOM 0 HA PRO A 82 9.491 -8.438 7.789 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.595 -7.028 9.944 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.021 -8.696 9.615 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.507 -6.182 8.880 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.141 -7.696 9.493 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.294 -7.100 6.860 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.035 -8.751 7.387 1.00 0.00 H new ATOM 996 N LEU A 83 8.311 -6.301 8.548 1.00 0.00 N ATOM 997 CA LEU A 83 7.451 -5.123 8.562 1.00 0.00 C ATOM 998 C LEU A 83 8.189 -3.911 9.118 1.00 0.00 C ATOM 999 O LEU A 83 7.973 -2.784 8.672 1.00 0.00 O ATOM 1000 CB LEU A 83 6.189 -5.390 9.385 1.00 0.00 C ATOM 1001 CG LEU A 83 5.286 -4.174 9.596 1.00 0.00 C ATOM 1002 CD1 LEU A 83 4.977 -3.496 8.270 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.003 -4.580 10.302 1.00 0.00 C ATOM 0 H LEU A 83 7.991 -7.065 9.143 1.00 0.00 H new ATOM 0 HA LEU A 83 7.164 -4.908 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.611 -6.172 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.484 -5.778 10.360 1.00 0.00 H new ATOM 0 HG LEU A 83 5.815 -3.460 10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.333 -2.634 8.444 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.906 -3.167 7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.470 -4.200 7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.372 -3.702 10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.472 -5.315 9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.243 -5.015 11.272 1.00 0.00 H new ATOM 1015 N SER A 84 9.064 -4.146 10.092 1.00 0.00 N ATOM 1016 CA SER A 84 9.832 -3.065 10.701 1.00 0.00 C ATOM 1017 C SER A 84 10.567 -2.264 9.634 1.00 0.00 C ATOM 1018 O SER A 84 10.590 -1.032 9.670 1.00 0.00 O ATOM 1019 CB SER A 84 10.831 -3.627 11.715 1.00 0.00 C ATOM 1020 OG SER A 84 10.944 -2.778 12.844 1.00 0.00 O ATOM 0 H SER A 84 9.258 -5.071 10.475 1.00 0.00 H new ATOM 0 HA SER A 84 9.139 -2.402 11.219 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.512 -4.620 12.033 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.807 -3.742 11.243 1.00 0.00 H new ATOM 0 HG SER A 84 11.587 -3.160 13.478 1.00 0.00 H new ATOM 1026 N THR A 85 11.156 -2.972 8.677 1.00 0.00 N ATOM 1027 CA THR A 85 11.884 -2.331 7.592 1.00 0.00 C ATOM 1028 C THR A 85 10.923 -1.607 6.656 1.00 0.00 C ATOM 1029 O THR A 85 11.170 -0.472 6.258 1.00 0.00 O ATOM 1030 CB THR A 85 12.691 -3.364 6.813 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.279 -4.308 7.691 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.799 -2.756 5.981 1.00 0.00 C ATOM 0 H THR A 85 11.143 -3.991 8.632 1.00 0.00 H new ATOM 0 HA THR A 85 12.568 -1.600 8.023 1.00 0.00 H new ATOM 0 HB THR A 85 11.977 -3.841 6.142 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.791 -4.963 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.333 -3.546 5.453 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.372 -2.061 5.258 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.492 -2.222 6.632 1.00 0.00 H new ATOM 1040 N CYS A 86 9.821 -2.270 6.317 1.00 0.00 N ATOM 1041 CA CYS A 86 8.816 -1.685 5.430 1.00 0.00 C ATOM 1042 C CYS A 86 8.316 -0.361 5.992 1.00 0.00 C ATOM 1043 O CYS A 86 8.353 0.669 5.313 1.00 0.00 O ATOM 1044 CB CYS A 86 7.647 -2.652 5.239 1.00 0.00 C ATOM 1045 SG CYS A 86 8.135 -4.366 4.931 1.00 0.00 S ATOM 0 H CYS A 86 9.600 -3.211 6.642 1.00 0.00 H new ATOM 0 HA CYS A 86 9.278 -1.499 4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.017 -2.621 6.128 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.038 -2.305 4.404 1.00 0.00 H new ATOM 0 HG CYS A 86 8.760 -4.833 5.971 1.00 0.00 H new ATOM 1051 N GLN A 87 7.867 -0.385 7.241 1.00 0.00 N ATOM 1052 CA GLN A 87 7.379 0.821 7.894 1.00 0.00 C ATOM 1053 C GLN A 87 8.420 1.930 7.798 1.00 0.00 C ATOM 1054 O GLN A 87 8.118 3.050 7.386 1.00 0.00 O ATOM 1055 CB GLN A 87 7.049 0.539 9.361 1.00 0.00 C ATOM 1056 CG GLN A 87 6.107 -0.638 9.561 1.00 0.00 C ATOM 1057 CD GLN A 87 4.649 -0.221 9.573 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.000 -0.219 10.618 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.128 0.134 8.405 1.00 0.00 N ATOM 0 H GLN A 87 7.831 -1.224 7.820 1.00 0.00 H new ATOM 0 HA GLN A 87 6.470 1.144 7.387 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.976 0.347 9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.601 1.430 9.801 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.267 -1.366 8.765 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.347 -1.135 10.501 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.704 0.117 7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.152 0.424 8.349 1.00 0.00 H new ATOM 1068 N SER A 88 9.651 1.598 8.176 1.00 0.00 N ATOM 1069 CA SER A 88 10.752 2.548 8.138 1.00 0.00 C ATOM 1070 C SER A 88 10.929 3.135 6.740 1.00 0.00 C ATOM 1071 O SER A 88 11.247 4.312 6.590 1.00 0.00 O ATOM 1072 CB SER A 88 12.049 1.873 8.589 1.00 0.00 C ATOM 1073 OG SER A 88 12.645 1.149 7.524 1.00 0.00 O ATOM 0 H SER A 88 9.909 0.671 8.514 1.00 0.00 H new ATOM 0 HA SER A 88 10.515 3.363 8.821 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.746 2.626 8.956 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.842 1.199 9.420 1.00 0.00 H new ATOM 0 HG SER A 88 12.082 0.380 7.295 1.00 0.00 H new ATOM 1079 N ILE A 89 10.710 2.312 5.716 1.00 0.00 N ATOM 1080 CA ILE A 89 10.835 2.759 4.341 1.00 0.00 C ATOM 1081 C ILE A 89 9.795 3.831 4.057 1.00 0.00 C ATOM 1082 O ILE A 89 10.043 4.764 3.298 1.00 0.00 O ATOM 1083 CB ILE A 89 10.677 1.582 3.353 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.867 0.628 3.503 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.557 2.085 1.919 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.929 -0.463 2.453 1.00 0.00 C ATOM 0 H ILE A 89 10.445 1.332 5.819 1.00 0.00 H new ATOM 0 HA ILE A 89 11.832 3.176 4.203 1.00 0.00 H new ATOM 0 HB ILE A 89 9.759 1.043 3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.789 1.207 3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.824 0.165 4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.447 1.236 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.685 2.733 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.453 2.646 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.801 -1.092 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 89 11.026 -1.071 2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.006 -0.012 1.464 1.00 0.00 H new ATOM 1098 N ILE A 90 8.637 3.694 4.691 1.00 0.00 N ATOM 1099 CA ILE A 90 7.559 4.659 4.530 1.00 0.00 C ATOM 1100 C ILE A 90 7.921 5.979 5.201 1.00 0.00 C ATOM 1101 O ILE A 90 7.579 7.054 4.711 1.00 0.00 O ATOM 1102 CB ILE A 90 6.244 4.141 5.132 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.976 2.710 4.656 1.00 0.00 C ATOM 1104 CG2 ILE A 90 5.098 5.069 4.758 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.570 2.221 4.936 1.00 0.00 C ATOM 0 H ILE A 90 8.421 2.922 5.322 1.00 0.00 H new ATOM 0 HA ILE A 90 7.420 4.811 3.460 1.00 0.00 H new ATOM 0 HB ILE A 90 6.327 4.126 6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.162 2.654 3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.686 2.038 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.170 4.693 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.299 6.069 5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.003 5.111 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.460 1.200 4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.384 2.243 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.853 2.868 4.431 1.00 0.00 H new ATOM 1117 N LYS A 91 8.619 5.886 6.331 1.00 0.00 N ATOM 1118 CA LYS A 91 9.030 7.071 7.074 1.00 0.00 C ATOM 1119 C LYS A 91 10.198 7.766 6.383 1.00 0.00 C ATOM 1120 O LYS A 91 10.194 8.985 6.204 1.00 0.00 O ATOM 1121 CB LYS A 91 9.425 6.703 8.501 1.00 0.00 C ATOM 1122 CG LYS A 91 8.301 6.901 9.507 1.00 0.00 C ATOM 1123 CD LYS A 91 7.482 5.635 9.680 1.00 0.00 C ATOM 1124 CE LYS A 91 8.355 4.475 10.113 1.00 0.00 C ATOM 1125 NZ LYS A 91 7.615 3.508 10.971 1.00 0.00 N ATOM 0 H LYS A 91 8.910 5.003 6.750 1.00 0.00 H new ATOM 0 HA LYS A 91 8.181 7.754 7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.745 5.661 8.525 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.282 7.307 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.720 7.199 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.653 7.713 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.700 5.802 10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.984 5.389 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.736 3.959 9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.219 4.855 10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.070 2.574 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.627 3.839 11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.631 3.435 10.642 1.00 0.00 H new ATOM 1139 N GLY A 92 11.199 6.979 5.999 1.00 0.00 N ATOM 1140 CA GLY A 92 12.366 7.525 5.331 1.00 0.00 C ATOM 1141 C GLY A 92 12.001 8.356 4.120 1.00 0.00 C ATOM 1142 O GLY A 92 12.748 9.250 3.721 1.00 0.00 O ATOM 0 H GLY A 92 11.222 5.969 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.929 8.139 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.021 6.709 5.025 1.00 0.00 H new ATOM 1146 N LEU A 93 10.843 8.066 3.538 1.00 0.00 N ATOM 1147 CA LEU A 93 10.374 8.796 2.371 1.00 0.00 C ATOM 1148 C LEU A 93 9.353 9.853 2.775 1.00 0.00 C ATOM 1149 O LEU A 93 8.438 10.174 2.016 1.00 0.00 O ATOM 1150 CB LEU A 93 9.767 7.844 1.342 1.00 0.00 C ATOM 1151 CG LEU A 93 8.730 6.874 1.893 1.00 0.00 C ATOM 1152 CD1 LEU A 93 7.382 7.563 2.033 1.00 0.00 C ATOM 1153 CD2 LEU A 93 8.620 5.655 0.991 1.00 0.00 C ATOM 0 H LEU A 93 10.213 7.330 3.857 1.00 0.00 H new ATOM 0 HA LEU A 93 11.232 9.293 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.305 8.435 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.571 7.270 0.882 1.00 0.00 H new ATOM 0 HG LEU A 93 9.049 6.544 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.652 6.857 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.475 8.408 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.052 7.918 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.876 4.969 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.320 5.968 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.586 5.153 0.939 1.00 0.00 H new ATOM 1165 N LYS A 94 9.523 10.392 3.978 1.00 0.00 N ATOM 1166 CA LYS A 94 8.636 11.409 4.497 1.00 0.00 C ATOM 1167 C LYS A 94 8.947 12.765 3.879 1.00 0.00 C ATOM 1168 O LYS A 94 8.098 13.657 3.857 1.00 0.00 O ATOM 1169 CB LYS A 94 8.769 11.481 6.018 1.00 0.00 C ATOM 1170 CG LYS A 94 7.866 12.518 6.654 1.00 0.00 C ATOM 1171 CD LYS A 94 8.666 13.634 7.303 1.00 0.00 C ATOM 1172 CE LYS A 94 9.407 13.146 8.539 1.00 0.00 C ATOM 1173 NZ LYS A 94 10.867 13.000 8.292 1.00 0.00 N ATOM 0 H LYS A 94 10.278 10.133 4.613 1.00 0.00 H new ATOM 0 HA LYS A 94 7.611 11.144 4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.541 10.503 6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.804 11.706 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.203 12.937 5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.233 12.041 7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.381 14.036 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.997 14.450 7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.246 13.847 9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.995 12.187 8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.221 12.158 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.038 12.897 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.364 13.843 8.643 1.00 0.00 H new ATOM 1187 N ASN A 95 10.170 12.919 3.380 1.00 0.00 N ATOM 1188 CA ASN A 95 10.589 14.170 2.767 1.00 0.00 C ATOM 1189 C ASN A 95 11.033 13.956 1.321 1.00 0.00 C ATOM 1190 O ASN A 95 12.127 14.363 0.928 1.00 0.00 O ATOM 1191 CB ASN A 95 11.721 14.803 3.579 1.00 0.00 C ATOM 1192 CG ASN A 95 11.212 15.792 4.609 1.00 0.00 C ATOM 1193 OD1 ASN A 95 10.881 16.932 4.282 1.00 0.00 O ATOM 1194 ND2 ASN A 95 11.149 15.361 5.863 1.00 0.00 N ATOM 0 H ASN A 95 10.886 12.192 3.389 1.00 0.00 H new ATOM 0 HA ASN A 95 9.734 14.846 2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.286 14.018 4.082 1.00 0.00 H new ATOM 0 HB3 ASN A 95 12.410 15.309 2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.816 15.983 6.600 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.433 14.408 6.090 1.00 0.00 H new ATOM 1201 N GLN A 96 10.177 13.315 0.532 1.00 0.00 N ATOM 1202 CA GLN A 96 10.479 13.049 -0.873 1.00 0.00 C ATOM 1203 C GLN A 96 9.542 13.832 -1.783 1.00 0.00 C ATOM 1204 O GLN A 96 9.913 14.213 -2.894 1.00 0.00 O ATOM 1205 CB GLN A 96 10.352 11.555 -1.176 1.00 0.00 C ATOM 1206 CG GLN A 96 10.834 10.662 -0.053 1.00 0.00 C ATOM 1207 CD GLN A 96 12.338 10.715 0.132 1.00 0.00 C ATOM 1208 OE1 GLN A 96 13.100 10.544 -0.819 1.00 0.00 O ATOM 1209 NE2 GLN A 96 12.774 10.955 1.364 1.00 0.00 N ATOM 0 H GLN A 96 9.268 12.969 0.840 1.00 0.00 H new ATOM 0 HA GLN A 96 11.505 13.367 -1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.308 11.324 -1.389 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.919 11.327 -2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.347 10.959 0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.533 9.634 -0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.107 11.091 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.776 11.003 1.550 1.00 0.00 H new ATOM 1218 N SER A 97 8.321 14.055 -1.309 1.00 0.00 N ATOM 1219 CA SER A 97 7.318 14.777 -2.081 1.00 0.00 C ATOM 1220 C SER A 97 6.835 13.938 -3.261 1.00 0.00 C ATOM 1221 O SER A 97 6.134 14.435 -4.140 1.00 0.00 O ATOM 1222 CB SER A 97 7.880 16.111 -2.581 1.00 0.00 C ATOM 1223 OG SER A 97 8.574 16.790 -1.549 1.00 0.00 O ATOM 0 H SER A 97 8.002 13.745 -0.391 1.00 0.00 H new ATOM 0 HA SER A 97 6.470 14.977 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.552 15.934 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.067 16.737 -2.950 1.00 0.00 H new ATOM 0 HG SER A 97 9.499 16.953 -1.829 1.00 0.00 H new ATOM 1229 N ARG A 98 7.211 12.657 -3.274 1.00 0.00 N ATOM 1230 CA ARG A 98 6.809 11.753 -4.345 1.00 0.00 C ATOM 1231 C ARG A 98 7.141 10.311 -3.971 1.00 0.00 C ATOM 1232 O ARG A 98 8.191 10.041 -3.390 1.00 0.00 O ATOM 1233 CB ARG A 98 7.509 12.133 -5.653 1.00 0.00 C ATOM 1234 CG ARG A 98 6.591 12.784 -6.677 1.00 0.00 C ATOM 1235 CD ARG A 98 7.271 13.952 -7.374 1.00 0.00 C ATOM 1236 NE ARG A 98 7.313 15.146 -6.534 1.00 0.00 N ATOM 1237 CZ ARG A 98 7.908 16.282 -6.891 1.00 0.00 C ATOM 1238 NH1 ARG A 98 8.511 16.382 -8.068 1.00 0.00 N ATOM 1239 NH2 ARG A 98 7.898 17.322 -6.067 1.00 0.00 N ATOM 0 H ARG A 98 7.792 12.226 -2.555 1.00 0.00 H new ATOM 0 HA ARG A 98 5.732 11.840 -4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.330 12.815 -5.430 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.949 11.237 -6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.288 12.044 -7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.683 13.132 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.287 13.667 -7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.742 14.179 -8.299 1.00 0.00 H new ATOM 0 HE ARG A 98 6.860 15.107 -5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.521 15.586 -8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.965 17.255 -8.336 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.435 17.250 -5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.354 18.193 -6.339 1.00 0.00 H new ATOM 1253 N VAL A 99 6.240 9.386 -4.291 1.00 0.00 N ATOM 1254 CA VAL A 99 6.454 7.979 -3.967 1.00 0.00 C ATOM 1255 C VAL A 99 6.067 7.058 -5.118 1.00 0.00 C ATOM 1256 O VAL A 99 4.888 6.795 -5.348 1.00 0.00 O ATOM 1257 CB VAL A 99 5.668 7.563 -2.709 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.180 6.232 -2.180 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.758 8.642 -1.637 1.00 0.00 C ATOM 0 H VAL A 99 5.362 9.583 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 99 7.522 7.874 -3.779 1.00 0.00 H new ATOM 0 HB VAL A 99 4.619 7.444 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.615 5.952 -1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.057 5.465 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.236 6.324 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.196 8.328 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.802 8.798 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.340 9.573 -2.021 1.00 0.00 H new ATOM 1269 N LYS A 100 7.076 6.551 -5.819 1.00 0.00 N ATOM 1270 CA LYS A 100 6.858 5.632 -6.931 1.00 0.00 C ATOM 1271 C LYS A 100 6.868 4.202 -6.415 1.00 0.00 C ATOM 1272 O LYS A 100 7.855 3.481 -6.568 1.00 0.00 O ATOM 1273 CB LYS A 100 7.950 5.801 -7.990 1.00 0.00 C ATOM 1274 CG LYS A 100 8.273 7.248 -8.311 1.00 0.00 C ATOM 1275 CD LYS A 100 8.133 7.538 -9.797 1.00 0.00 C ATOM 1276 CE LYS A 100 6.729 7.241 -10.294 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.714 6.876 -11.738 1.00 0.00 N ATOM 0 H LYS A 100 8.057 6.762 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 100 5.893 5.854 -7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.857 5.304 -7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.637 5.297 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.608 7.903 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.290 7.474 -7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.374 8.584 -9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.852 6.938 -10.355 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.302 6.426 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.096 8.114 -10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.737 6.681 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.097 7.663 -12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.297 6.028 -11.888 1.00 0.00 H new ATOM 1291 N LEU A 101 5.775 3.802 -5.786 1.00 0.00 N ATOM 1292 CA LEU A 101 5.673 2.463 -5.227 1.00 0.00 C ATOM 1293 C LEU A 101 4.724 1.588 -6.036 1.00 0.00 C ATOM 1294 O LEU A 101 3.543 1.899 -6.192 1.00 0.00 O ATOM 1295 CB LEU A 101 5.239 2.534 -3.760 1.00 0.00 C ATOM 1296 CG LEU A 101 3.831 3.051 -3.519 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.371 2.692 -2.115 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.762 4.559 -3.735 1.00 0.00 C ATOM 0 H LEU A 101 4.948 4.383 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 101 6.659 2.000 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.321 1.537 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.939 3.174 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 101 3.163 2.575 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.361 3.069 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.378 1.609 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.045 3.141 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.744 4.906 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.442 5.057 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.051 4.793 -4.760 1.00 0.00 H new ATOM 1310 N ASN A 102 5.257 0.484 -6.549 1.00 0.00 N ATOM 1311 CA ASN A 102 4.472 -0.452 -7.339 1.00 0.00 C ATOM 1312 C ASN A 102 3.787 -1.460 -6.428 1.00 0.00 C ATOM 1313 O ASN A 102 4.445 -2.273 -5.781 1.00 0.00 O ATOM 1314 CB ASN A 102 5.363 -1.177 -8.350 1.00 0.00 C ATOM 1315 CG ASN A 102 5.364 -0.505 -9.708 1.00 0.00 C ATOM 1316 OD1 ASN A 102 6.341 0.135 -10.097 1.00 0.00 O ATOM 1317 ND2 ASN A 102 4.263 -0.646 -10.439 1.00 0.00 N ATOM 0 H ASN A 102 6.234 0.217 -6.430 1.00 0.00 H new ATOM 0 HA ASN A 102 3.711 0.106 -7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.383 -1.218 -7.967 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.022 -2.207 -8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 102 4.205 -0.215 -11.362 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.476 -1.185 -10.077 1.00 0.00 H new ATOM 1324 N ILE A 103 2.463 -1.393 -6.367 1.00 0.00 N ATOM 1325 CA ILE A 103 1.697 -2.292 -5.517 1.00 0.00 C ATOM 1326 C ILE A 103 0.845 -3.254 -6.340 1.00 0.00 C ATOM 1327 O ILE A 103 0.566 -3.004 -7.512 1.00 0.00 O ATOM 1328 CB ILE A 103 0.791 -1.502 -4.552 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.346 -0.815 -5.305 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.599 -0.472 -3.788 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.700 -1.130 -4.731 1.00 0.00 C ATOM 0 H ILE A 103 1.899 -0.727 -6.895 1.00 0.00 H new ATOM 0 HA ILE A 103 2.416 -2.872 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 103 0.359 -2.211 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.190 0.264 -5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.320 -1.121 -6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.943 0.076 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.377 -0.974 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.059 0.223 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.468 -0.614 -5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.873 -2.205 -4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.741 -0.799 -3.693 1.00 0.00 H new ATOM 1343 N VAL A 104 0.432 -4.352 -5.714 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.393 -5.347 -6.385 1.00 0.00 C ATOM 1345 C VAL A 104 -1.817 -5.335 -5.840 1.00 0.00 C ATOM 1346 O VAL A 104 -2.032 -5.171 -4.635 1.00 0.00 O ATOM 1347 CB VAL A 104 0.191 -6.762 -6.231 1.00 0.00 C ATOM 1348 CG1 VAL A 104 1.423 -6.933 -7.104 1.00 0.00 C ATOM 1349 CG2 VAL A 104 0.517 -7.048 -4.779 1.00 0.00 C ATOM 0 H VAL A 104 0.656 -4.574 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.407 -5.084 -7.443 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.560 -7.480 -6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.820 -7.941 -6.980 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.154 -6.775 -8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.180 -6.206 -6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.929 -8.053 -4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.248 -6.323 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.391 -6.974 -4.181 1.00 0.00 H new ATOM 1359 N ARG A 105 -2.786 -5.503 -6.736 1.00 0.00 N ATOM 1360 CA ARG A 105 -4.193 -5.504 -6.347 1.00 0.00 C ATOM 1361 C ARG A 105 -4.905 -6.781 -6.793 1.00 0.00 C ATOM 1362 O ARG A 105 -5.090 -7.016 -7.987 1.00 0.00 O ATOM 1363 CB ARG A 105 -4.900 -4.279 -6.933 1.00 0.00 C ATOM 1364 CG ARG A 105 -5.261 -3.230 -5.894 1.00 0.00 C ATOM 1365 CD ARG A 105 -6.244 -2.211 -6.449 1.00 0.00 C ATOM 1366 NE ARG A 105 -7.612 -2.724 -6.470 1.00 0.00 N ATOM 1367 CZ ARG A 105 -8.591 -2.198 -7.203 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -8.357 -1.146 -7.978 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -9.806 -2.727 -7.163 1.00 0.00 N ATOM 0 H ARG A 105 -2.623 -5.640 -7.734 1.00 0.00 H new ATOM 0 HA ARG A 105 -4.235 -5.464 -5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.257 -3.825 -7.687 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.808 -4.603 -7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -5.694 -3.716 -5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -4.357 -2.721 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.206 -1.305 -5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.946 -1.933 -7.460 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.830 -3.533 -5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -7.423 -0.737 -8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.111 -0.747 -8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.990 -3.537 -6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.556 -2.324 -7.724 1.00 0.00 H new TER 1383 ARG A 105