USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 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 74 ASN : amide:sc= -3.74! C(o=-5.4!,f=-12!) USER MOD Set 1.2: A 96 GLN : amide:sc= -1.71 K(o=-5.4,f=-12) USER MOD Set 2.1: A 61 SER OG : rot 110:sc= 0.321 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 147:sc= 1.16 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0.374 (180deg=0.366) USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 0.191 (180deg=-0.052) USER MOD Single : A 26 GLN : amide:sc= -0.0915 X(o=-0.091,f=-0.0023) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 50:sc= 0.733 USER MOD Single : A 42 SER OG : rot 86:sc= -0.291! USER MOD Single : A 46 THR OG1 : rot -135:sc= -1.1 USER MOD Single : A 51 ASN : amide:sc= -0.668 K(o=-0.67,f=-2.5!) USER MOD Single : A 52 MET CE :methyl 167:sc= -3.73! (180deg=-3.83!) USER MOD Single : A 53 MET CE :methyl -162:sc= -6.89! (180deg=-7.92!) USER MOD Single : A 54 HIS : no HD1:sc= -0.134 K(o=-0.13,f=-1.9) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0905 X(o=-0.091,f=-0.44) USER MOD Single : A 69 GLN : amide:sc= -8.57 K(o=-8.6,f=-19!) USER MOD Single : A 71 MET CE :methyl -169:sc= -12.3! (180deg=-13.9!) USER MOD Single : A 72 SER OG : rot 180:sc= -0.399 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00275 USER MOD Single : A 77 SER OG : rot 180:sc= 0.025 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 85 THR OG1 : rot -170:sc= -1.44 USER MOD Single : A 86 CYS SG : rot 90:sc= -0.307 USER MOD Single : A 87 GLN :FLIP amide:sc= -1.51 F(o=-3.4!,f=-1.5) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -127:sc= -1.65 (180deg=-4.81!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.16) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.23) USER MOD Single : B -1 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.591 -8.914 -8.436 1.00 0.00 N ATOM 2 CA GLU A 17 -14.735 -8.746 -9.605 1.00 0.00 C ATOM 3 C GLU A 17 -13.699 -7.653 -9.361 1.00 0.00 C ATOM 4 O GLU A 17 -14.036 -6.552 -8.928 1.00 0.00 O ATOM 5 CB GLU A 17 -15.577 -8.401 -10.836 1.00 0.00 C ATOM 6 CG GLU A 17 -14.897 -8.743 -12.152 1.00 0.00 C ATOM 7 CD GLU A 17 -15.322 -10.093 -12.693 1.00 0.00 C ATOM 8 OE1 GLU A 17 -16.521 -10.427 -12.583 1.00 0.00 O ATOM 9 OE2 GLU A 17 -14.457 -10.818 -13.228 1.00 0.00 O ATOM 0 HA GLU A 17 -14.214 -9.687 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.526 -8.933 -10.778 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.808 -7.336 -10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.128 -7.972 -12.887 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.816 -8.736 -12.011 1.00 0.00 H new ATOM 16 N PHE A 18 -12.438 -7.966 -9.638 1.00 0.00 N ATOM 17 CA PHE A 18 -11.349 -7.013 -9.444 1.00 0.00 C ATOM 18 C PHE A 18 -11.575 -5.744 -10.255 1.00 0.00 C ATOM 19 O PHE A 18 -12.091 -5.792 -11.372 1.00 0.00 O ATOM 20 CB PHE A 18 -10.016 -7.645 -9.845 1.00 0.00 C ATOM 21 CG PHE A 18 -9.260 -8.241 -8.695 1.00 0.00 C ATOM 22 CD1 PHE A 18 -9.773 -9.320 -7.994 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.031 -7.724 -8.316 1.00 0.00 C ATOM 24 CE1 PHE A 18 -9.078 -9.871 -6.940 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.329 -8.274 -7.262 1.00 0.00 C ATOM 26 CZ PHE A 18 -7.853 -9.348 -6.573 1.00 0.00 C ATOM 0 H PHE A 18 -12.143 -8.874 -9.998 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.324 -6.748 -8.387 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.201 -8.421 -10.588 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.395 -6.888 -10.323 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.729 -9.734 -8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.618 -6.882 -8.851 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.490 -10.711 -6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.371 -7.864 -6.977 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.306 -9.780 -5.748 1.00 0.00 H new ATOM 36 N LYS A 19 -11.181 -4.606 -9.688 1.00 0.00 N ATOM 37 CA LYS A 19 -11.336 -3.328 -10.367 1.00 0.00 C ATOM 38 C LYS A 19 -10.433 -2.258 -9.758 1.00 0.00 C ATOM 39 O LYS A 19 -10.472 -2.003 -8.550 1.00 0.00 O ATOM 40 CB LYS A 19 -12.795 -2.869 -10.319 1.00 0.00 C ATOM 41 CG LYS A 19 -13.421 -2.972 -8.939 1.00 0.00 C ATOM 42 CD LYS A 19 -13.515 -1.613 -8.264 1.00 0.00 C ATOM 43 CE LYS A 19 -14.485 -0.697 -8.992 1.00 0.00 C ATOM 44 NZ LYS A 19 -15.843 -0.729 -8.382 1.00 0.00 N ATOM 0 H LYS A 19 -10.754 -4.546 -8.764 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.040 -3.470 -11.406 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.853 -1.835 -10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.378 -3.467 -11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.417 -3.407 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.829 -3.646 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.838 -1.740 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.528 -1.151 -8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.103 0.324 -8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.550 -0.995 -10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.499 -0.172 -8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.177 -1.713 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.803 -0.325 -7.425 1.00 0.00 H new ATOM 58 N ASP A 20 -9.627 -1.634 -10.611 1.00 0.00 N ATOM 59 CA ASP A 20 -8.712 -0.579 -10.185 1.00 0.00 C ATOM 60 C ASP A 20 -9.484 0.694 -9.851 1.00 0.00 C ATOM 61 O ASP A 20 -9.942 1.406 -10.744 1.00 0.00 O ATOM 62 CB ASP A 20 -7.688 -0.288 -11.285 1.00 0.00 C ATOM 63 CG ASP A 20 -6.437 -1.135 -11.153 1.00 0.00 C ATOM 64 OD1 ASP A 20 -6.426 -2.264 -11.687 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.469 -0.670 -10.514 1.00 0.00 O ATOM 0 H ASP A 20 -9.589 -1.842 -11.609 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.189 -0.920 -9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.144 -0.469 -12.258 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.414 0.766 -11.252 1.00 0.00 H new ATOM 70 N VAL A 21 -9.627 0.971 -8.561 1.00 0.00 N ATOM 71 CA VAL A 21 -10.346 2.154 -8.107 1.00 0.00 C ATOM 72 C VAL A 21 -9.436 3.374 -8.059 1.00 0.00 C ATOM 73 O VAL A 21 -8.268 3.282 -7.679 1.00 0.00 O ATOM 74 CB VAL A 21 -10.966 1.934 -6.712 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.903 3.080 -6.355 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.695 0.600 -6.657 1.00 0.00 C ATOM 0 H VAL A 21 -9.254 0.391 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.143 2.331 -8.829 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.162 1.913 -5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.330 2.906 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.346 4.017 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.704 3.138 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.126 0.462 -5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.490 0.589 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.992 -0.207 -6.863 1.00 0.00 H new ATOM 86 N PHE A 22 -9.984 4.520 -8.446 1.00 0.00 N ATOM 87 CA PHE A 22 -9.240 5.771 -8.452 1.00 0.00 C ATOM 88 C PHE A 22 -10.056 6.876 -7.788 1.00 0.00 C ATOM 89 O PHE A 22 -11.008 7.394 -8.373 1.00 0.00 O ATOM 90 CB PHE A 22 -8.891 6.169 -9.888 1.00 0.00 C ATOM 91 CG PHE A 22 -7.478 6.654 -10.063 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.433 6.041 -9.390 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.198 7.720 -10.902 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.136 6.484 -9.552 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.899 8.165 -11.067 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.869 7.544 -10.389 1.00 0.00 C ATOM 0 H PHE A 22 -10.950 4.607 -8.762 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.317 5.630 -7.889 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.053 5.312 -10.541 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.576 6.952 -10.214 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.636 5.209 -8.732 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.002 8.208 -11.433 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.330 5.999 -9.022 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.691 8.996 -11.724 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.854 7.890 -10.515 1.00 0.00 H new ATOM 106 N ILE A 23 -9.685 7.229 -6.563 1.00 0.00 N ATOM 107 CA ILE A 23 -10.391 8.265 -5.823 1.00 0.00 C ATOM 108 C ILE A 23 -9.573 9.551 -5.750 1.00 0.00 C ATOM 109 O ILE A 23 -8.673 9.680 -4.919 1.00 0.00 O ATOM 110 CB ILE A 23 -10.726 7.801 -4.390 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.475 6.464 -4.425 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.540 8.863 -3.661 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.938 6.587 -4.798 1.00 0.00 C ATOM 0 H ILE A 23 -8.900 6.813 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.318 8.460 -6.363 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.794 7.656 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.983 5.802 -5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.399 5.991 -3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.767 8.518 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.966 9.788 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.470 9.043 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.397 5.598 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.447 7.221 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.025 7.030 -5.790 1.00 0.00 H new ATOM 125 N GLU A 24 -9.902 10.506 -6.613 1.00 0.00 N ATOM 126 CA GLU A 24 -9.207 11.787 -6.633 1.00 0.00 C ATOM 127 C GLU A 24 -9.735 12.682 -5.518 1.00 0.00 C ATOM 128 O GLU A 24 -10.874 13.143 -5.569 1.00 0.00 O ATOM 129 CB GLU A 24 -9.394 12.475 -7.986 1.00 0.00 C ATOM 130 CG GLU A 24 -9.215 11.543 -9.172 1.00 0.00 C ATOM 131 CD GLU A 24 -10.491 11.356 -9.969 1.00 0.00 C ATOM 132 OE1 GLU A 24 -11.222 12.349 -10.162 1.00 0.00 O ATOM 133 OE2 GLU A 24 -10.760 10.215 -10.401 1.00 0.00 O ATOM 0 H GLU A 24 -10.644 10.417 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.143 11.609 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.391 12.914 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.681 13.296 -8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.438 11.939 -9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.868 10.573 -8.817 1.00 0.00 H new ATOM 140 N LYS A 25 -8.909 12.911 -4.504 1.00 0.00 N ATOM 141 CA LYS A 25 -9.309 13.737 -3.374 1.00 0.00 C ATOM 142 C LYS A 25 -8.230 14.753 -3.019 1.00 0.00 C ATOM 143 O LYS A 25 -7.256 14.924 -3.751 1.00 0.00 O ATOM 144 CB LYS A 25 -9.611 12.852 -2.163 1.00 0.00 C ATOM 145 CG LYS A 25 -8.392 12.121 -1.621 1.00 0.00 C ATOM 146 CD LYS A 25 -8.519 11.852 -0.130 1.00 0.00 C ATOM 147 CE LYS A 25 -7.174 11.956 0.570 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.186 10.984 0.027 1.00 0.00 N ATOM 0 H LYS A 25 -7.962 12.537 -4.442 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.207 14.285 -3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.036 13.468 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.370 12.120 -2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.267 11.178 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.497 12.714 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.216 12.564 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.937 10.858 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.785 12.968 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.306 11.780 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.529 10.699 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.685 10.146 -0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.652 11.428 -0.747 1.00 0.00 H new ATOM 162 N GLN A 26 -8.412 15.419 -1.883 1.00 0.00 N ATOM 163 CA GLN A 26 -7.458 16.414 -1.417 1.00 0.00 C ATOM 164 C GLN A 26 -6.924 16.029 -0.043 1.00 0.00 C ATOM 165 O GLN A 26 -7.427 15.102 0.591 1.00 0.00 O ATOM 166 CB GLN A 26 -8.116 17.795 -1.353 1.00 0.00 C ATOM 167 CG GLN A 26 -8.933 18.135 -2.589 1.00 0.00 C ATOM 168 CD GLN A 26 -8.118 18.063 -3.865 1.00 0.00 C ATOM 169 OE1 GLN A 26 -7.056 18.677 -3.973 1.00 0.00 O ATOM 170 NE2 GLN A 26 -8.611 17.310 -4.841 1.00 0.00 N ATOM 0 H GLN A 26 -9.215 15.286 -1.268 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.627 16.453 -2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.762 17.841 -0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.343 18.551 -1.219 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.777 17.449 -2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.346 19.138 -2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.495 16.818 -4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.106 17.223 -5.723 1.00 0.00 H new ATOM 179 N LYS A 27 -5.902 16.741 0.412 1.00 0.00 N ATOM 180 CA LYS A 27 -5.303 16.465 1.712 1.00 0.00 C ATOM 181 C LYS A 27 -6.299 16.729 2.831 1.00 0.00 C ATOM 182 O LYS A 27 -7.303 17.414 2.636 1.00 0.00 O ATOM 183 CB LYS A 27 -4.049 17.317 1.921 1.00 0.00 C ATOM 184 CG LYS A 27 -3.214 17.490 0.663 1.00 0.00 C ATOM 185 CD LYS A 27 -1.732 17.570 0.986 1.00 0.00 C ATOM 186 CE LYS A 27 -0.898 16.830 -0.046 1.00 0.00 C ATOM 187 NZ LYS A 27 -0.050 17.757 -0.845 1.00 0.00 N ATOM 0 H LYS A 27 -5.471 17.512 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.021 15.412 1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.345 18.300 2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.434 16.859 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.396 16.655 -0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.523 18.396 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.423 18.614 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.550 17.147 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.263 16.100 0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.556 16.274 -0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.503 17.212 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.656 18.438 -1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.597 18.269 -0.212 1.00 0.00 H new ATOM 201 N GLY A 28 -6.013 16.177 4.002 1.00 0.00 N ATOM 202 CA GLY A 28 -6.895 16.359 5.139 1.00 0.00 C ATOM 203 C GLY A 28 -8.294 15.836 4.872 1.00 0.00 C ATOM 204 O GLY A 28 -9.244 16.216 5.555 1.00 0.00 O ATOM 0 H GLY A 28 -5.187 15.607 4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.477 15.847 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.947 17.419 5.390 1.00 0.00 H new ATOM 208 N GLU A 29 -8.422 14.954 3.883 1.00 0.00 N ATOM 209 CA GLU A 29 -9.711 14.375 3.539 1.00 0.00 C ATOM 210 C GLU A 29 -9.590 12.867 3.401 1.00 0.00 C ATOM 211 O GLU A 29 -10.298 12.246 2.609 1.00 0.00 O ATOM 212 CB GLU A 29 -10.250 14.987 2.246 1.00 0.00 C ATOM 213 CG GLU A 29 -10.503 16.483 2.339 1.00 0.00 C ATOM 214 CD GLU A 29 -11.156 17.044 1.090 1.00 0.00 C ATOM 215 OE1 GLU A 29 -12.034 16.360 0.521 1.00 0.00 O ATOM 216 OE2 GLU A 29 -10.788 18.165 0.682 1.00 0.00 O ATOM 0 H GLU A 29 -7.646 14.627 3.308 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.414 14.598 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.541 14.797 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.180 14.486 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.140 16.687 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.558 16.997 2.512 1.00 0.00 H new ATOM 223 N ILE A 30 -8.681 12.301 4.196 1.00 0.00 N ATOM 224 CA ILE A 30 -8.411 10.857 4.227 1.00 0.00 C ATOM 225 C ILE A 30 -9.011 10.104 3.040 1.00 0.00 C ATOM 226 O ILE A 30 -8.318 9.802 2.068 1.00 0.00 O ATOM 227 CB ILE A 30 -8.914 10.214 5.539 1.00 0.00 C ATOM 228 CG1 ILE A 30 -10.127 10.961 6.089 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.801 10.175 6.575 1.00 0.00 C ATOM 230 CD1 ILE A 30 -11.234 10.038 6.535 1.00 0.00 C ATOM 0 H ILE A 30 -8.103 12.835 4.845 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.326 10.768 4.165 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.220 9.192 5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.815 11.579 6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.510 11.635 5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.174 9.719 7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.967 9.588 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.464 11.190 6.785 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.068 10.628 6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.570 9.438 5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.865 9.381 7.322 1.00 0.00 H new ATOM 242 N LEU A 31 -10.299 9.805 3.133 1.00 0.00 N ATOM 243 CA LEU A 31 -11.014 9.083 2.085 1.00 0.00 C ATOM 244 C LEU A 31 -12.457 8.842 2.503 1.00 0.00 C ATOM 245 O LEU A 31 -13.382 8.964 1.700 1.00 0.00 O ATOM 246 CB LEU A 31 -10.331 7.745 1.792 1.00 0.00 C ATOM 247 CG LEU A 31 -10.778 7.059 0.501 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.493 7.945 -0.701 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.087 5.711 0.348 1.00 0.00 C ATOM 0 H LEU A 31 -10.879 10.055 3.934 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.000 9.691 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.254 7.907 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.516 7.069 2.627 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.854 6.891 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.818 7.440 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.033 8.886 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.423 8.145 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.416 5.236 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.007 5.857 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.342 5.073 1.194 1.00 0.00 H new ATOM 261 N GLY A 32 -12.638 8.510 3.777 1.00 0.00 N ATOM 262 CA GLY A 32 -13.968 8.268 4.306 1.00 0.00 C ATOM 263 C GLY A 32 -14.473 6.857 4.058 1.00 0.00 C ATOM 264 O GLY A 32 -15.517 6.673 3.432 1.00 0.00 O ATOM 0 H GLY A 32 -11.884 8.404 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.964 8.460 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.663 8.978 3.858 1.00 0.00 H new ATOM 268 N VAL A 33 -13.752 5.858 4.563 1.00 0.00 N ATOM 269 CA VAL A 33 -14.169 4.464 4.394 1.00 0.00 C ATOM 270 C VAL A 33 -13.756 3.610 5.586 1.00 0.00 C ATOM 271 O VAL A 33 -12.825 3.946 6.314 1.00 0.00 O ATOM 272 CB VAL A 33 -13.655 3.830 3.070 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.228 4.903 2.081 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.518 2.837 3.306 1.00 0.00 C ATOM 0 H VAL A 33 -12.886 5.983 5.087 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.257 4.484 4.337 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.489 3.273 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.873 4.432 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.078 5.547 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.427 5.501 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.194 2.422 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.681 3.348 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.867 2.032 3.953 1.00 0.00 H new ATOM 284 N VAL A 34 -14.459 2.501 5.773 1.00 0.00 N ATOM 285 CA VAL A 34 -14.170 1.586 6.871 1.00 0.00 C ATOM 286 C VAL A 34 -13.934 0.173 6.359 1.00 0.00 C ATOM 287 O VAL A 34 -14.777 -0.403 5.673 1.00 0.00 O ATOM 288 CB VAL A 34 -15.306 1.566 7.905 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.930 0.705 9.102 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.647 2.981 8.343 1.00 0.00 C ATOM 0 H VAL A 34 -15.235 2.212 5.178 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.263 1.950 7.354 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.189 1.128 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.749 0.705 9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.738 -0.315 8.770 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.033 1.108 9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.454 2.951 9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.768 3.445 8.790 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.964 3.563 7.478 1.00 0.00 H new ATOM 300 N ILE A 35 -12.773 -0.373 6.696 1.00 0.00 N ATOM 301 CA ILE A 35 -12.402 -1.711 6.276 1.00 0.00 C ATOM 302 C ILE A 35 -12.297 -2.656 7.468 1.00 0.00 C ATOM 303 O ILE A 35 -11.895 -2.252 8.559 1.00 0.00 O ATOM 304 CB ILE A 35 -11.063 -1.695 5.529 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.025 -0.896 6.311 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.239 -1.126 4.129 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.644 -1.500 6.249 1.00 0.00 C ATOM 0 H ILE A 35 -12.069 0.098 7.264 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.186 -2.069 5.609 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.706 -2.721 5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.988 0.121 5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.338 -0.826 7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.278 -1.123 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.947 -1.741 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.618 -0.106 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.952 -0.885 6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.668 -2.507 6.666 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.313 -1.545 5.212 1.00 0.00 H new ATOM 319 N VAL A 36 -12.663 -3.914 7.251 1.00 0.00 N ATOM 320 CA VAL A 36 -12.611 -4.919 8.305 1.00 0.00 C ATOM 321 C VAL A 36 -12.067 -6.243 7.777 1.00 0.00 C ATOM 322 O VAL A 36 -11.967 -6.444 6.568 1.00 0.00 O ATOM 323 CB VAL A 36 -14.004 -5.160 8.918 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.536 -3.885 9.553 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.970 -5.680 7.863 1.00 0.00 C ATOM 0 H VAL A 36 -12.999 -4.262 6.353 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.942 -4.535 9.075 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.911 -5.916 9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.521 -4.075 9.981 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.856 -3.559 10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.614 -3.106 8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.948 -5.844 8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.059 -4.949 7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.595 -6.620 7.458 1.00 0.00 H new ATOM 335 N GLU A 37 -11.718 -7.146 8.689 1.00 0.00 N ATOM 336 CA GLU A 37 -11.191 -8.453 8.309 1.00 0.00 C ATOM 337 C GLU A 37 -12.160 -9.180 7.381 1.00 0.00 C ATOM 338 O GLU A 37 -13.363 -9.223 7.631 1.00 0.00 O ATOM 339 CB GLU A 37 -10.920 -9.300 9.553 1.00 0.00 C ATOM 340 CG GLU A 37 -9.683 -8.867 10.321 1.00 0.00 C ATOM 341 CD GLU A 37 -9.204 -9.921 11.300 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.278 -11.121 10.962 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.756 -9.546 12.404 1.00 0.00 O ATOM 0 H GLU A 37 -11.791 -6.997 9.695 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.253 -8.299 7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.785 -9.248 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.807 -10.343 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.883 -8.641 9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.900 -7.946 10.862 1.00 0.00 H new ATOM 350 N SER A 38 -11.623 -9.744 6.304 1.00 0.00 N ATOM 351 CA SER A 38 -12.435 -10.461 5.327 1.00 0.00 C ATOM 352 C SER A 38 -12.840 -11.842 5.842 1.00 0.00 C ATOM 353 O SER A 38 -12.202 -12.847 5.534 1.00 0.00 O ATOM 354 CB SER A 38 -11.672 -10.592 4.009 1.00 0.00 C ATOM 355 OG SER A 38 -10.724 -11.645 4.060 1.00 0.00 O ATOM 0 H SER A 38 -10.627 -9.718 6.085 1.00 0.00 H new ATOM 0 HA SER A 38 -13.347 -9.887 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.376 -10.773 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.164 -9.654 3.787 1.00 0.00 H new ATOM 0 HG SER A 38 -11.158 -12.461 4.386 1.00 0.00 H new ATOM 361 N GLY A 39 -13.913 -11.881 6.629 1.00 0.00 N ATOM 362 CA GLY A 39 -14.390 -13.141 7.171 1.00 0.00 C ATOM 363 C GLY A 39 -15.214 -13.939 6.180 1.00 0.00 C ATOM 364 O GLY A 39 -15.565 -15.090 6.440 1.00 0.00 O ATOM 0 H GLY A 39 -14.459 -11.063 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.536 -13.739 7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.991 -12.944 8.059 1.00 0.00 H new ATOM 368 N TRP A 40 -15.511 -13.331 5.035 1.00 0.00 N ATOM 369 CA TRP A 40 -16.280 -13.989 3.984 1.00 0.00 C ATOM 370 C TRP A 40 -15.618 -15.309 3.582 1.00 0.00 C ATOM 371 O TRP A 40 -14.775 -15.835 4.311 1.00 0.00 O ATOM 372 CB TRP A 40 -16.361 -13.061 2.771 1.00 0.00 C ATOM 373 CG TRP A 40 -15.020 -12.801 2.158 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.808 -12.855 2.786 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.748 -12.446 0.798 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.804 -12.570 1.901 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.353 -12.312 0.677 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.546 -12.232 -0.327 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.740 -11.976 -0.519 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.935 -11.895 -1.520 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.542 -11.770 -1.608 1.00 0.00 C ATOM 0 H TRP A 40 -15.228 -12.377 4.811 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.282 -14.205 4.355 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.019 -13.503 2.023 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.810 -12.114 3.071 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.663 -13.089 3.830 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.808 -12.553 2.120 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.620 -12.328 -0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.667 -11.880 -0.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.541 -11.725 -2.398 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.093 -11.506 -2.554 1.00 0.00 H new ATOM 392 N GLY A 41 -15.978 -15.833 2.413 1.00 0.00 N ATOM 393 CA GLY A 41 -15.378 -17.072 1.947 1.00 0.00 C ATOM 394 C GLY A 41 -13.863 -17.032 2.028 1.00 0.00 C ATOM 395 O GLY A 41 -13.208 -18.067 2.152 1.00 0.00 O ATOM 0 H GLY A 41 -16.670 -15.425 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.752 -17.904 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.682 -17.258 0.917 1.00 0.00 H new ATOM 399 N SER A 42 -13.312 -15.821 1.960 1.00 0.00 N ATOM 400 CA SER A 42 -11.871 -15.603 2.027 1.00 0.00 C ATOM 401 C SER A 42 -11.217 -15.861 0.690 1.00 0.00 C ATOM 402 O SER A 42 -10.207 -16.556 0.589 1.00 0.00 O ATOM 403 CB SER A 42 -11.220 -16.462 3.111 1.00 0.00 C ATOM 404 OG SER A 42 -12.152 -16.814 4.119 1.00 0.00 O ATOM 0 H SER A 42 -13.854 -14.963 1.857 1.00 0.00 H new ATOM 0 HA SER A 42 -11.718 -14.556 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.808 -17.366 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.387 -15.919 3.557 1.00 0.00 H new ATOM 0 HG SER A 42 -12.636 -17.622 3.849 1.00 0.00 H new ATOM 410 N ILE A 43 -11.795 -15.263 -0.333 1.00 0.00 N ATOM 411 CA ILE A 43 -11.281 -15.377 -1.676 1.00 0.00 C ATOM 412 C ILE A 43 -9.852 -14.843 -1.729 1.00 0.00 C ATOM 413 O ILE A 43 -8.974 -15.426 -2.365 1.00 0.00 O ATOM 414 CB ILE A 43 -12.178 -14.594 -2.630 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.600 -15.146 -2.565 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.642 -14.650 -4.039 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.605 -14.293 -3.294 1.00 0.00 C ATOM 0 H ILE A 43 -12.632 -14.686 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.272 -16.424 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.192 -13.548 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.612 -16.151 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.900 -15.236 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.298 -14.085 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.641 -14.219 -4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.598 -15.687 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.594 -14.743 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.621 -13.295 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.328 -14.224 -4.346 1.00 0.00 H new ATOM 429 N LEU A 44 -9.636 -13.740 -1.022 1.00 0.00 N ATOM 430 CA LEU A 44 -8.327 -13.106 -0.928 1.00 0.00 C ATOM 431 C LEU A 44 -8.215 -12.393 0.419 1.00 0.00 C ATOM 432 O LEU A 44 -8.554 -11.217 0.532 1.00 0.00 O ATOM 433 CB LEU A 44 -8.096 -12.102 -2.067 1.00 0.00 C ATOM 434 CG LEU A 44 -8.974 -12.275 -3.311 1.00 0.00 C ATOM 435 CD1 LEU A 44 -10.353 -11.674 -3.087 1.00 0.00 C ATOM 436 CD2 LEU A 44 -8.305 -11.633 -4.512 1.00 0.00 C ATOM 0 H LEU A 44 -10.366 -13.259 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.565 -13.881 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.252 -11.097 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.052 -12.166 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.097 -13.341 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.959 -11.809 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.835 -12.172 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.256 -10.610 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.936 -11.761 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.159 -10.570 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.339 -12.107 -4.687 1.00 0.00 H new ATOM 448 N PRO A 45 -7.766 -13.102 1.469 1.00 0.00 N ATOM 449 CA PRO A 45 -7.640 -12.544 2.818 1.00 0.00 C ATOM 450 C PRO A 45 -7.053 -11.134 2.845 1.00 0.00 C ATOM 451 O PRO A 45 -5.834 -10.963 2.868 1.00 0.00 O ATOM 452 CB PRO A 45 -6.704 -13.531 3.538 1.00 0.00 C ATOM 453 CG PRO A 45 -6.324 -14.568 2.525 1.00 0.00 C ATOM 454 CD PRO A 45 -7.363 -14.511 1.443 1.00 0.00 C ATOM 0 HA PRO A 45 -8.618 -12.437 3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.821 -13.020 3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.204 -13.987 4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.332 -14.369 2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.291 -15.559 2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.957 -14.800 0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.201 -15.177 1.649 1.00 0.00 H new ATOM 462 N THR A 46 -7.926 -10.127 2.870 1.00 0.00 N ATOM 463 CA THR A 46 -7.483 -8.735 2.923 1.00 0.00 C ATOM 464 C THR A 46 -8.371 -7.912 3.866 1.00 0.00 C ATOM 465 O THR A 46 -8.116 -7.860 5.070 1.00 0.00 O ATOM 466 CB THR A 46 -7.448 -8.110 1.524 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.479 -6.698 1.613 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.595 -8.543 0.634 1.00 0.00 C ATOM 0 H THR A 46 -8.939 -10.248 2.854 1.00 0.00 H new ATOM 0 HA THR A 46 -6.467 -8.725 3.319 1.00 0.00 H new ATOM 0 HB THR A 46 -6.520 -8.462 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.115 -6.343 0.957 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.503 -8.060 -0.339 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.568 -9.625 0.506 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.541 -8.256 1.094 1.00 0.00 H new ATOM 476 N VAL A 47 -9.409 -7.274 3.323 1.00 0.00 N ATOM 477 CA VAL A 47 -10.318 -6.466 4.134 1.00 0.00 C ATOM 478 C VAL A 47 -11.652 -6.252 3.420 1.00 0.00 C ATOM 479 O VAL A 47 -11.779 -6.534 2.229 1.00 0.00 O ATOM 480 CB VAL A 47 -9.711 -5.091 4.479 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.879 -5.178 5.750 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.876 -4.557 3.324 1.00 0.00 C ATOM 0 H VAL A 47 -9.640 -7.301 2.330 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.483 -7.020 5.058 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.530 -4.393 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.459 -4.198 5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.511 -5.503 6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.071 -5.895 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.460 -3.586 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.065 -5.253 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.505 -4.449 2.440 1.00 0.00 H new ATOM 492 N ILE A 48 -12.646 -5.760 4.159 1.00 0.00 N ATOM 493 CA ILE A 48 -13.973 -5.518 3.592 1.00 0.00 C ATOM 494 C ILE A 48 -14.500 -4.132 3.941 1.00 0.00 C ATOM 495 O ILE A 48 -14.528 -3.748 5.111 1.00 0.00 O ATOM 496 CB ILE A 48 -15.019 -6.545 4.094 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.371 -7.646 4.932 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.776 -7.147 2.929 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.380 -8.537 5.625 1.00 0.00 C ATOM 0 H ILE A 48 -12.559 -5.522 5.147 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.842 -5.612 2.514 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.722 -6.011 4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.736 -8.257 4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.723 -7.191 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.506 -7.866 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.291 -6.357 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.077 -7.652 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.856 -9.298 6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.999 -7.936 6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -16.012 -9.019 4.879 1.00 0.00 H new ATOM 511 N ILE A 49 -14.962 -3.399 2.930 1.00 0.00 N ATOM 512 CA ILE A 49 -15.531 -2.091 3.155 1.00 0.00 C ATOM 513 C ILE A 49 -16.842 -2.249 3.899 1.00 0.00 C ATOM 514 O ILE A 49 -17.889 -2.495 3.303 1.00 0.00 O ATOM 515 CB ILE A 49 -15.761 -1.362 1.828 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.431 -1.206 1.099 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.410 -0.011 2.060 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.558 -0.523 -0.237 1.00 0.00 C ATOM 0 H ILE A 49 -14.949 -3.695 1.954 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.838 -1.495 3.748 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.439 -1.952 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.746 -0.636 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.987 -2.191 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.563 0.488 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.371 -0.149 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.763 0.601 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.575 -0.445 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.218 -1.104 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.973 0.475 -0.097 1.00 0.00 H new ATOM 530 N ALA A 50 -16.758 -2.144 5.210 1.00 0.00 N ATOM 531 CA ALA A 50 -17.913 -2.313 6.068 1.00 0.00 C ATOM 532 C ALA A 50 -18.598 -0.987 6.386 1.00 0.00 C ATOM 533 O ALA A 50 -19.625 -0.961 7.064 1.00 0.00 O ATOM 534 CB ALA A 50 -17.479 -3.016 7.336 1.00 0.00 C ATOM 0 H ALA A 50 -15.892 -1.940 5.708 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.651 -2.918 5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.340 -3.149 7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.059 -3.990 7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.725 -2.415 7.845 1.00 0.00 H new ATOM 540 N ASN A 51 -18.035 0.110 5.894 1.00 0.00 N ATOM 541 CA ASN A 51 -18.612 1.426 6.133 1.00 0.00 C ATOM 542 C ASN A 51 -17.933 2.482 5.267 1.00 0.00 C ATOM 543 O ASN A 51 -16.824 2.277 4.778 1.00 0.00 O ATOM 544 CB ASN A 51 -18.497 1.798 7.611 1.00 0.00 C ATOM 545 CG ASN A 51 -19.849 1.966 8.274 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.873 2.080 7.600 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.860 1.985 9.602 1.00 0.00 N ATOM 0 H ASN A 51 -17.185 0.115 5.331 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.667 1.389 5.862 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.933 1.026 8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.932 2.725 7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.741 2.097 10.103 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.987 1.887 10.121 1.00 0.00 H new ATOM 554 N MET A 52 -18.610 3.610 5.076 1.00 0.00 N ATOM 555 CA MET A 52 -18.069 4.693 4.266 1.00 0.00 C ATOM 556 C MET A 52 -18.735 6.023 4.598 1.00 0.00 C ATOM 557 O MET A 52 -19.951 6.092 4.785 1.00 0.00 O ATOM 558 CB MET A 52 -18.241 4.380 2.782 1.00 0.00 C ATOM 559 CG MET A 52 -16.982 3.837 2.127 1.00 0.00 C ATOM 560 SD MET A 52 -17.173 3.596 0.349 1.00 0.00 S ATOM 561 CE MET A 52 -18.899 3.131 0.259 1.00 0.00 C ATOM 0 H MET A 52 -19.532 3.797 5.471 1.00 0.00 H new ATOM 0 HA MET A 52 -17.007 4.781 4.495 1.00 0.00 H new ATOM 0 HB2 MET A 52 -19.045 3.654 2.663 1.00 0.00 H new ATOM 0 HB3 MET A 52 -18.550 5.286 2.261 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.156 4.525 2.310 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.715 2.888 2.592 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.233 3.172 -0.778 1.00 0.00 H new ATOM 0 HE2 MET A 52 -19.023 2.118 0.641 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.493 3.820 0.859 1.00 0.00 H new ATOM 571 N MET A 53 -17.931 7.079 4.664 1.00 0.00 N ATOM 572 CA MET A 53 -18.439 8.410 4.966 1.00 0.00 C ATOM 573 C MET A 53 -19.205 8.975 3.776 1.00 0.00 C ATOM 574 O MET A 53 -18.607 9.382 2.781 1.00 0.00 O ATOM 575 CB MET A 53 -17.288 9.349 5.337 1.00 0.00 C ATOM 576 CG MET A 53 -16.712 9.093 6.719 1.00 0.00 C ATOM 577 SD MET A 53 -15.933 10.557 7.429 1.00 0.00 S ATOM 578 CE MET A 53 -14.210 10.244 7.049 1.00 0.00 C ATOM 0 H MET A 53 -16.923 7.037 4.512 1.00 0.00 H new ATOM 0 HA MET A 53 -19.119 8.330 5.814 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.494 9.246 4.597 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.640 10.379 5.285 1.00 0.00 H new ATOM 0 HG2 MET A 53 -17.507 8.751 7.382 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.979 8.289 6.660 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.579 10.869 7.681 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.982 9.194 7.234 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.020 10.478 6.001 1.00 0.00 H new ATOM 588 N HIS A 54 -20.529 8.992 3.881 1.00 0.00 N ATOM 589 CA HIS A 54 -21.373 9.505 2.810 1.00 0.00 C ATOM 590 C HIS A 54 -21.163 11.003 2.622 1.00 0.00 C ATOM 591 O HIS A 54 -22.009 11.812 3.005 1.00 0.00 O ATOM 592 CB HIS A 54 -22.846 9.217 3.108 1.00 0.00 C ATOM 593 CG HIS A 54 -23.212 7.770 2.976 1.00 0.00 C ATOM 594 ND1 HIS A 54 -22.309 6.745 3.170 1.00 0.00 N ATOM 595 CD2 HIS A 54 -24.389 7.178 2.665 1.00 0.00 C ATOM 596 CE1 HIS A 54 -22.917 5.586 2.985 1.00 0.00 C ATOM 597 NE2 HIS A 54 -24.178 5.822 2.679 1.00 0.00 N ATOM 0 H HIS A 54 -21.040 8.656 4.697 1.00 0.00 H new ATOM 0 HA HIS A 54 -21.092 8.999 1.887 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -23.075 9.550 4.120 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.467 9.804 2.431 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -25.320 7.679 2.447 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.459 4.612 3.070 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -24.883 5.111 2.484 1.00 0.00 H new ATOM 606 N GLY A 55 -20.029 11.368 2.032 1.00 0.00 N ATOM 607 CA GLY A 55 -19.729 12.768 1.807 1.00 0.00 C ATOM 608 C GLY A 55 -18.299 12.975 1.362 1.00 0.00 C ATOM 609 O GLY A 55 -18.009 13.872 0.570 1.00 0.00 O ATOM 0 H GLY A 55 -19.313 10.718 1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.406 13.167 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.909 13.329 2.724 1.00 0.00 H new ATOM 613 N GLY A 56 -17.404 12.136 1.868 1.00 0.00 N ATOM 614 CA GLY A 56 -16.007 12.236 1.502 1.00 0.00 C ATOM 615 C GLY A 56 -15.760 11.776 0.079 1.00 0.00 C ATOM 616 O GLY A 56 -16.697 11.392 -0.621 1.00 0.00 O ATOM 0 H GLY A 56 -17.622 11.388 2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.676 13.269 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.409 11.635 2.187 1.00 0.00 H new ATOM 620 N PRO A 57 -14.502 11.802 -0.382 1.00 0.00 N ATOM 621 CA PRO A 57 -14.153 11.379 -1.743 1.00 0.00 C ATOM 622 C PRO A 57 -14.545 9.931 -2.026 1.00 0.00 C ATOM 623 O PRO A 57 -14.602 9.513 -3.181 1.00 0.00 O ATOM 624 CB PRO A 57 -12.628 11.536 -1.793 1.00 0.00 C ATOM 625 CG PRO A 57 -12.301 12.487 -0.694 1.00 0.00 C ATOM 626 CD PRO A 57 -13.322 12.244 0.378 1.00 0.00 C ATOM 0 HA PRO A 57 -14.681 11.968 -2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.128 10.578 -1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.303 11.922 -2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.292 12.317 -0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.341 13.518 -1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -12.991 11.485 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.527 13.148 0.952 1.00 0.00 H new ATOM 634 N ALA A 58 -14.813 9.165 -0.969 1.00 0.00 N ATOM 635 CA ALA A 58 -15.195 7.773 -1.123 1.00 0.00 C ATOM 636 C ALA A 58 -16.590 7.658 -1.720 1.00 0.00 C ATOM 637 O ALA A 58 -16.811 6.921 -2.681 1.00 0.00 O ATOM 638 CB ALA A 58 -15.126 7.053 0.214 1.00 0.00 C ATOM 0 H ALA A 58 -14.771 9.489 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.492 7.300 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.415 6.011 0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.108 7.101 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.805 7.531 0.920 1.00 0.00 H new ATOM 644 N GLU A 59 -17.527 8.402 -1.145 1.00 0.00 N ATOM 645 CA GLU A 59 -18.905 8.398 -1.619 1.00 0.00 C ATOM 646 C GLU A 59 -19.035 9.231 -2.890 1.00 0.00 C ATOM 647 O GLU A 59 -19.793 8.886 -3.796 1.00 0.00 O ATOM 648 CB GLU A 59 -19.839 8.943 -0.537 1.00 0.00 C ATOM 649 CG GLU A 59 -21.221 8.310 -0.551 1.00 0.00 C ATOM 650 CD GLU A 59 -22.333 9.333 -0.676 1.00 0.00 C ATOM 651 OE1 GLU A 59 -22.122 10.359 -1.357 1.00 0.00 O ATOM 652 OE2 GLU A 59 -23.415 9.109 -0.094 1.00 0.00 O ATOM 0 H GLU A 59 -17.357 9.016 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.189 7.370 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.384 8.780 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -19.941 10.021 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.285 7.607 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.362 7.736 0.365 1.00 0.00 H new ATOM 659 N LYS A 60 -18.289 10.331 -2.945 1.00 0.00 N ATOM 660 CA LYS A 60 -18.316 11.219 -4.099 1.00 0.00 C ATOM 661 C LYS A 60 -17.944 10.469 -5.374 1.00 0.00 C ATOM 662 O LYS A 60 -18.616 10.594 -6.399 1.00 0.00 O ATOM 663 CB LYS A 60 -17.357 12.392 -3.886 1.00 0.00 C ATOM 664 CG LYS A 60 -17.821 13.371 -2.820 1.00 0.00 C ATOM 665 CD LYS A 60 -17.498 14.806 -3.201 1.00 0.00 C ATOM 666 CE LYS A 60 -18.169 15.796 -2.262 1.00 0.00 C ATOM 667 NZ LYS A 60 -17.597 17.164 -2.396 1.00 0.00 N ATOM 0 H LYS A 60 -17.658 10.628 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.331 11.601 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.377 12.004 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.234 12.925 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -18.896 13.266 -2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -17.343 13.130 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.419 14.955 -3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.824 14.994 -4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.238 15.828 -2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.056 15.454 -1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.081 17.809 -1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.582 17.139 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.728 17.501 -3.371 1.00 0.00 H new ATOM 681 N SER A 61 -16.871 9.690 -5.301 1.00 0.00 N ATOM 682 CA SER A 61 -16.404 8.919 -6.448 1.00 0.00 C ATOM 683 C SER A 61 -17.445 7.890 -6.873 1.00 0.00 C ATOM 684 O SER A 61 -18.006 7.972 -7.967 1.00 0.00 O ATOM 685 CB SER A 61 -15.084 8.220 -6.111 1.00 0.00 C ATOM 686 OG SER A 61 -14.013 8.768 -6.856 1.00 0.00 O ATOM 0 H SER A 61 -16.307 9.575 -4.459 1.00 0.00 H new ATOM 0 HA SER A 61 -16.243 9.607 -7.278 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.878 8.319 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.169 7.154 -6.321 1.00 0.00 H new ATOM 0 HG SER A 61 -13.422 9.272 -6.258 1.00 0.00 H new ATOM 692 N GLY A 62 -17.698 6.917 -6.003 1.00 0.00 N ATOM 693 CA GLY A 62 -18.668 5.883 -6.309 1.00 0.00 C ATOM 694 C GLY A 62 -18.013 4.555 -6.635 1.00 0.00 C ATOM 695 O GLY A 62 -18.633 3.501 -6.501 1.00 0.00 O ATOM 0 H GLY A 62 -17.248 6.827 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.339 5.755 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.279 6.201 -7.154 1.00 0.00 H new ATOM 699 N LYS A 63 -16.754 4.606 -7.063 1.00 0.00 N ATOM 700 CA LYS A 63 -16.014 3.398 -7.410 1.00 0.00 C ATOM 701 C LYS A 63 -15.974 2.429 -6.234 1.00 0.00 C ATOM 702 O LYS A 63 -16.018 1.212 -6.417 1.00 0.00 O ATOM 703 CB LYS A 63 -14.589 3.753 -7.836 1.00 0.00 C ATOM 704 CG LYS A 63 -14.521 4.501 -9.159 1.00 0.00 C ATOM 705 CD LYS A 63 -13.771 5.818 -9.024 1.00 0.00 C ATOM 706 CE LYS A 63 -14.700 7.006 -9.196 1.00 0.00 C ATOM 707 NZ LYS A 63 -13.947 8.276 -9.402 1.00 0.00 N ATOM 0 H LYS A 63 -16.226 5.471 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.527 2.915 -8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.127 4.362 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.003 2.837 -7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.029 3.877 -9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.531 4.693 -9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.293 5.867 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.977 5.864 -9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.358 6.832 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.336 7.100 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.488 8.902 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.804 8.747 -8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.023 8.066 -9.832 1.00 0.00 H new ATOM 721 N LEU A 64 -15.890 2.975 -5.025 1.00 0.00 N ATOM 722 CA LEU A 64 -15.845 2.161 -3.817 1.00 0.00 C ATOM 723 C LEU A 64 -17.224 2.053 -3.181 1.00 0.00 C ATOM 724 O LEU A 64 -17.809 3.054 -2.767 1.00 0.00 O ATOM 725 CB LEU A 64 -14.851 2.751 -2.815 1.00 0.00 C ATOM 726 CG LEU A 64 -13.390 2.737 -3.266 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.646 3.939 -2.703 1.00 0.00 C ATOM 728 CD2 LEU A 64 -12.716 1.442 -2.838 1.00 0.00 C ATOM 0 H LEU A 64 -15.852 3.980 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.516 1.160 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.140 3.781 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.931 2.199 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.363 2.797 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.608 3.912 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.116 4.856 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.680 3.911 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.677 1.447 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.753 1.354 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.235 0.596 -3.288 1.00 0.00 H new ATOM 740 N ASN A 65 -17.738 0.828 -3.101 1.00 0.00 N ATOM 741 CA ASN A 65 -19.047 0.586 -2.510 1.00 0.00 C ATOM 742 C ASN A 65 -18.968 -0.517 -1.461 1.00 0.00 C ATOM 743 O ASN A 65 -18.253 -1.502 -1.638 1.00 0.00 O ATOM 744 CB ASN A 65 -20.056 0.201 -3.594 1.00 0.00 C ATOM 745 CG ASN A 65 -20.311 1.332 -4.573 1.00 0.00 C ATOM 746 OD1 ASN A 65 -21.065 2.261 -4.284 1.00 0.00 O ATOM 747 ND2 ASN A 65 -19.682 1.256 -5.741 1.00 0.00 N ATOM 0 H ASN A 65 -17.266 -0.011 -3.439 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.378 1.505 -2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.688 -0.670 -4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.996 -0.089 -3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.815 1.986 -6.440 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.066 0.467 -5.938 1.00 0.00 H new ATOM 754 N ILE A 66 -19.701 -0.346 -0.366 1.00 0.00 N ATOM 755 CA ILE A 66 -19.708 -1.324 0.710 1.00 0.00 C ATOM 756 C ILE A 66 -19.892 -2.743 0.185 1.00 0.00 C ATOM 757 O ILE A 66 -20.626 -2.974 -0.776 1.00 0.00 O ATOM 758 CB ILE A 66 -20.807 -0.992 1.723 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.535 0.390 2.303 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.879 -2.041 2.827 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.194 0.501 2.989 1.00 0.00 C ATOM 0 H ILE A 66 -20.299 0.464 -0.202 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.737 -1.276 1.203 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.773 -0.995 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.587 1.128 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.321 0.637 3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.669 -1.776 3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.095 -3.016 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.925 -2.082 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -19.067 1.511 3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.146 -0.213 3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.400 0.285 2.274 1.00 0.00 H new ATOM 773 N GLY A 67 -19.210 -3.686 0.820 1.00 0.00 N ATOM 774 CA GLY A 67 -19.295 -5.073 0.406 1.00 0.00 C ATOM 775 C GLY A 67 -18.195 -5.460 -0.565 1.00 0.00 C ATOM 776 O GLY A 67 -18.244 -6.532 -1.171 1.00 0.00 O ATOM 0 H GLY A 67 -18.597 -3.515 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.241 -5.715 1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.265 -5.251 -0.059 1.00 0.00 H new ATOM 780 N ASP A 68 -17.197 -4.591 -0.719 1.00 0.00 N ATOM 781 CA ASP A 68 -16.085 -4.857 -1.623 1.00 0.00 C ATOM 782 C ASP A 68 -14.859 -5.321 -0.846 1.00 0.00 C ATOM 783 O ASP A 68 -14.765 -5.114 0.363 1.00 0.00 O ATOM 784 CB ASP A 68 -15.748 -3.606 -2.435 1.00 0.00 C ATOM 785 CG ASP A 68 -16.903 -3.158 -3.310 1.00 0.00 C ATOM 786 OD1 ASP A 68 -17.892 -3.913 -3.421 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.818 -2.053 -3.886 1.00 0.00 O ATOM 0 H ASP A 68 -17.138 -3.698 -0.229 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.384 -5.652 -2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.475 -2.798 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.878 -3.805 -3.060 1.00 0.00 H new ATOM 792 N GLN A 69 -13.921 -5.952 -1.545 1.00 0.00 N ATOM 793 CA GLN A 69 -12.704 -6.445 -0.907 1.00 0.00 C ATOM 794 C GLN A 69 -11.461 -5.804 -1.519 1.00 0.00 C ATOM 795 O GLN A 69 -10.976 -6.240 -2.563 1.00 0.00 O ATOM 796 CB GLN A 69 -12.618 -7.968 -1.030 1.00 0.00 C ATOM 797 CG GLN A 69 -13.393 -8.711 0.047 1.00 0.00 C ATOM 798 CD GLN A 69 -12.527 -9.103 1.228 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.828 -8.763 2.370 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.446 -9.823 0.956 1.00 0.00 N ATOM 0 H GLN A 69 -13.979 -6.134 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.746 -6.172 0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.995 -8.267 -2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.571 -8.269 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.213 -8.084 0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.838 -9.607 -0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.235 -10.083 -0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.826 -10.117 1.711 1.00 0.00 H new ATOM 809 N ILE A 70 -10.946 -4.770 -0.861 1.00 0.00 N ATOM 810 CA ILE A 70 -9.755 -4.080 -1.342 1.00 0.00 C ATOM 811 C ILE A 70 -8.535 -4.987 -1.245 1.00 0.00 C ATOM 812 O ILE A 70 -8.415 -5.770 -0.307 1.00 0.00 O ATOM 813 CB ILE A 70 -9.488 -2.787 -0.544 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.772 -1.961 -0.423 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.385 -1.972 -1.204 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.996 -1.394 0.962 1.00 0.00 C ATOM 0 H ILE A 70 -11.333 -4.393 0.004 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.935 -3.816 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.158 -3.059 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.737 -1.142 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.623 -2.586 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.210 -1.063 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.469 -2.561 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.686 -1.707 -2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.923 -0.821 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.063 -2.209 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.163 -0.743 1.228 1.00 0.00 H new ATOM 828 N MET A 71 -7.636 -4.893 -2.219 1.00 0.00 N ATOM 829 CA MET A 71 -6.439 -5.727 -2.226 1.00 0.00 C ATOM 830 C MET A 71 -5.179 -4.905 -1.998 1.00 0.00 C ATOM 831 O MET A 71 -4.508 -5.056 -0.979 1.00 0.00 O ATOM 832 CB MET A 71 -6.328 -6.480 -3.550 1.00 0.00 C ATOM 833 CG MET A 71 -7.555 -7.311 -3.876 1.00 0.00 C ATOM 834 SD MET A 71 -7.622 -8.844 -2.933 1.00 0.00 S ATOM 835 CE MET A 71 -9.352 -8.878 -2.473 1.00 0.00 C ATOM 0 H MET A 71 -7.712 -4.252 -3.009 1.00 0.00 H new ATOM 0 HA MET A 71 -6.531 -6.439 -1.406 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.160 -5.763 -4.354 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.455 -7.132 -3.516 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.451 -6.724 -3.673 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.560 -7.543 -4.941 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.515 -9.656 -1.727 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.637 -7.911 -2.057 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.959 -9.087 -3.354 1.00 0.00 H new ATOM 845 N SER A 72 -4.851 -4.048 -2.956 1.00 0.00 N ATOM 846 CA SER A 72 -3.655 -3.221 -2.855 1.00 0.00 C ATOM 847 C SER A 72 -3.984 -1.743 -3.023 1.00 0.00 C ATOM 848 O SER A 72 -4.782 -1.366 -3.881 1.00 0.00 O ATOM 849 CB SER A 72 -2.628 -3.647 -3.904 1.00 0.00 C ATOM 850 OG SER A 72 -1.595 -2.684 -4.027 1.00 0.00 O ATOM 0 H SER A 72 -5.393 -3.907 -3.808 1.00 0.00 H new ATOM 0 HA SER A 72 -3.236 -3.364 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.200 -4.611 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.121 -3.781 -4.867 1.00 0.00 H new ATOM 0 HG SER A 72 -0.950 -2.981 -4.703 1.00 0.00 H new ATOM 856 N ILE A 73 -3.357 -0.912 -2.198 1.00 0.00 N ATOM 857 CA ILE A 73 -3.570 0.523 -2.249 1.00 0.00 C ATOM 858 C ILE A 73 -2.305 1.239 -2.717 1.00 0.00 C ATOM 859 O ILE A 73 -1.318 1.322 -1.984 1.00 0.00 O ATOM 860 CB ILE A 73 -3.988 1.068 -0.871 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.328 0.461 -0.444 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.074 2.586 -0.901 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.288 -0.188 0.920 1.00 0.00 C ATOM 0 H ILE A 73 -2.694 -1.213 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.373 0.712 -2.961 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.230 0.783 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.088 1.242 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.633 -0.281 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.371 2.953 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.101 3.000 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.812 2.894 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.270 -0.596 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.551 -0.992 0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.013 0.555 1.669 1.00 0.00 H new ATOM 875 N ASN A 74 -2.343 1.753 -3.940 1.00 0.00 N ATOM 876 CA ASN A 74 -1.201 2.461 -4.508 1.00 0.00 C ATOM 877 C ASN A 74 0.029 1.559 -4.575 1.00 0.00 C ATOM 878 O ASN A 74 1.158 2.042 -4.654 1.00 0.00 O ATOM 879 CB ASN A 74 -0.887 3.708 -3.679 1.00 0.00 C ATOM 880 CG ASN A 74 -1.982 4.753 -3.767 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.557 4.979 -4.832 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.278 5.395 -2.643 1.00 0.00 N ATOM 0 H ASN A 74 -3.152 1.693 -4.558 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.462 2.760 -5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.745 3.422 -2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.053 4.141 -4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.008 6.108 -2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.776 5.175 -1.783 1.00 0.00 H new ATOM 889 N GLY A 75 -0.194 0.248 -4.550 1.00 0.00 N ATOM 890 CA GLY A 75 0.910 -0.693 -4.614 1.00 0.00 C ATOM 891 C GLY A 75 1.014 -1.564 -3.376 1.00 0.00 C ATOM 892 O GLY A 75 1.393 -2.732 -3.462 1.00 0.00 O ATOM 0 H GLY A 75 -1.118 -0.179 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.789 -1.329 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.842 -0.144 -4.745 1.00 0.00 H new ATOM 896 N THR A 76 0.678 -0.996 -2.222 1.00 0.00 N ATOM 897 CA THR A 76 0.739 -1.731 -0.963 1.00 0.00 C ATOM 898 C THR A 76 -0.292 -2.854 -0.932 1.00 0.00 C ATOM 899 O THR A 76 -1.484 -2.609 -0.747 1.00 0.00 O ATOM 900 CB THR A 76 0.514 -0.784 0.211 1.00 0.00 C ATOM 901 OG1 THR A 76 1.181 0.447 -0.001 1.00 0.00 O ATOM 902 CG2 THR A 76 0.991 -1.344 1.534 1.00 0.00 C ATOM 0 H THR A 76 0.361 -0.031 -2.132 1.00 0.00 H new ATOM 0 HA THR A 76 1.731 -2.176 -0.880 1.00 0.00 H new ATOM 0 HB THR A 76 -0.566 -0.643 0.264 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.023 1.041 0.762 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.801 -0.619 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.456 -2.268 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.060 -1.548 1.478 1.00 0.00 H new ATOM 910 N SER A 77 0.174 -4.085 -1.114 1.00 0.00 N ATOM 911 CA SER A 77 -0.709 -5.247 -1.108 1.00 0.00 C ATOM 912 C SER A 77 -1.281 -5.492 0.284 1.00 0.00 C ATOM 913 O SER A 77 -0.622 -5.237 1.292 1.00 0.00 O ATOM 914 CB SER A 77 0.046 -6.489 -1.586 1.00 0.00 C ATOM 915 OG SER A 77 1.358 -6.528 -1.051 1.00 0.00 O ATOM 0 H SER A 77 1.158 -4.304 -1.268 1.00 0.00 H new ATOM 0 HA SER A 77 -1.536 -5.046 -1.789 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.498 -7.386 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.094 -6.492 -2.675 1.00 0.00 H new ATOM 0 HG SER A 77 1.818 -7.332 -1.371 1.00 0.00 H new ATOM 921 N LEU A 78 -2.515 -5.987 0.332 1.00 0.00 N ATOM 922 CA LEU A 78 -3.182 -6.265 1.600 1.00 0.00 C ATOM 923 C LEU A 78 -3.552 -7.740 1.720 1.00 0.00 C ATOM 924 O LEU A 78 -3.633 -8.282 2.823 1.00 0.00 O ATOM 925 CB LEU A 78 -4.441 -5.408 1.736 1.00 0.00 C ATOM 926 CG LEU A 78 -4.234 -3.913 1.495 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.561 -3.235 1.191 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.566 -3.270 2.701 1.00 0.00 C ATOM 0 H LEU A 78 -3.073 -6.204 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.486 -6.018 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.189 -5.774 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.850 -5.546 2.737 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.580 -3.787 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.396 -2.171 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.001 -3.680 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.239 -3.367 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.425 -2.205 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.196 -3.404 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.597 -3.739 2.874 1.00 0.00 H new ATOM 940 N VAL A 79 -3.783 -8.389 0.584 1.00 0.00 N ATOM 941 CA VAL A 79 -4.151 -9.800 0.573 1.00 0.00 C ATOM 942 C VAL A 79 -3.100 -10.649 1.287 1.00 0.00 C ATOM 943 O VAL A 79 -2.154 -11.138 0.666 1.00 0.00 O ATOM 944 CB VAL A 79 -4.335 -10.318 -0.869 1.00 0.00 C ATOM 945 CG1 VAL A 79 -3.063 -10.121 -1.678 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.752 -11.782 -0.865 1.00 0.00 C ATOM 0 H VAL A 79 -3.722 -7.961 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.099 -9.888 1.104 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.129 -9.740 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.215 -10.493 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.816 -9.060 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.245 -10.668 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.876 -12.128 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.984 -12.378 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.695 -11.890 -0.329 1.00 0.00 H new ATOM 956 N GLY A 80 -3.272 -10.828 2.594 1.00 0.00 N ATOM 957 CA GLY A 80 -2.332 -11.625 3.360 1.00 0.00 C ATOM 958 C GLY A 80 -2.035 -11.049 4.732 1.00 0.00 C ATOM 959 O GLY A 80 -1.595 -11.771 5.627 1.00 0.00 O ATOM 0 H GLY A 80 -4.043 -10.436 3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.730 -12.633 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.400 -11.713 2.801 1.00 0.00 H new ATOM 963 N LEU A 81 -2.265 -9.750 4.904 1.00 0.00 N ATOM 964 CA LEU A 81 -2.005 -9.100 6.187 1.00 0.00 C ATOM 965 C LEU A 81 -3.291 -8.902 6.986 1.00 0.00 C ATOM 966 O LEU A 81 -4.392 -8.965 6.438 1.00 0.00 O ATOM 967 CB LEU A 81 -1.306 -7.751 5.987 1.00 0.00 C ATOM 968 CG LEU A 81 -1.649 -7.016 4.690 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.438 -5.520 4.859 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.809 -7.552 3.539 1.00 0.00 C ATOM 0 H LEU A 81 -2.628 -9.131 4.179 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.347 -9.759 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.556 -7.104 6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.228 -7.912 6.019 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.699 -7.190 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.686 -5.010 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.081 -5.150 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.396 -5.326 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.065 -7.019 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.248 -7.406 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.008 -8.616 3.408 1.00 0.00 H new ATOM 982 N PRO A 82 -3.161 -8.659 8.303 1.00 0.00 N ATOM 983 CA PRO A 82 -4.309 -8.453 9.197 1.00 0.00 C ATOM 984 C PRO A 82 -5.071 -7.167 8.886 1.00 0.00 C ATOM 985 O PRO A 82 -4.814 -6.504 7.883 1.00 0.00 O ATOM 986 CB PRO A 82 -3.668 -8.367 10.584 1.00 0.00 C ATOM 987 CG PRO A 82 -2.272 -7.925 10.322 1.00 0.00 C ATOM 988 CD PRO A 82 -1.879 -8.573 9.028 1.00 0.00 C ATOM 0 HA PRO A 82 -5.046 -9.250 9.098 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.196 -7.658 11.222 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.690 -9.331 11.092 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.212 -6.839 10.251 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.607 -8.229 11.130 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.146 -7.978 8.484 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.437 -9.557 9.186 1.00 0.00 H new ATOM 996 N LEU A 83 -6.015 -6.827 9.760 1.00 0.00 N ATOM 997 CA LEU A 83 -6.826 -5.625 9.590 1.00 0.00 C ATOM 998 C LEU A 83 -6.061 -4.375 10.009 1.00 0.00 C ATOM 999 O LEU A 83 -6.004 -3.394 9.268 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.112 -5.738 10.414 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.346 -5.048 9.820 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -10.329 -4.686 10.921 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -8.954 -3.807 9.029 1.00 0.00 C ATOM 0 H LEU A 83 -6.237 -7.369 10.595 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.074 -5.537 8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.341 -6.795 10.553 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.926 -5.320 11.403 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.827 -5.746 9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.200 -4.197 10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.643 -5.591 11.440 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.850 -4.010 11.629 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.849 -3.339 8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.444 -3.103 9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.288 -4.090 8.214 1.00 0.00 H new ATOM 1015 N SER A 84 -5.482 -4.412 11.204 1.00 0.00 N ATOM 1016 CA SER A 84 -4.729 -3.274 11.722 1.00 0.00 C ATOM 1017 C SER A 84 -3.669 -2.829 10.722 1.00 0.00 C ATOM 1018 O SER A 84 -3.403 -1.635 10.570 1.00 0.00 O ATOM 1019 CB SER A 84 -4.070 -3.636 13.055 1.00 0.00 C ATOM 1020 OG SER A 84 -2.900 -4.412 12.853 1.00 0.00 O ATOM 0 H SER A 84 -5.519 -5.215 11.831 1.00 0.00 H new ATOM 0 HA SER A 84 -5.424 -2.450 11.882 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.817 -2.725 13.598 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.775 -4.190 13.674 1.00 0.00 H new ATOM 0 HG SER A 84 -2.497 -4.628 13.720 1.00 0.00 H new ATOM 1026 N THR A 85 -3.073 -3.795 10.035 1.00 0.00 N ATOM 1027 CA THR A 85 -2.051 -3.500 9.044 1.00 0.00 C ATOM 1028 C THR A 85 -2.652 -2.755 7.858 1.00 0.00 C ATOM 1029 O THR A 85 -2.146 -1.707 7.458 1.00 0.00 O ATOM 1030 CB THR A 85 -1.370 -4.784 8.576 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.698 -5.414 9.652 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.358 -4.564 7.473 1.00 0.00 C ATOM 0 H THR A 85 -3.280 -4.787 10.147 1.00 0.00 H new ATOM 0 HA THR A 85 -1.300 -2.860 9.508 1.00 0.00 H new ATOM 0 HB THR A 85 -2.174 -5.409 8.187 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.140 -6.143 9.308 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.086 -5.519 7.191 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.853 -4.124 6.607 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.423 -3.891 7.825 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.739 -3.293 7.302 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.402 -2.664 6.160 1.00 0.00 C ATOM 1042 C CYS A 86 -4.802 -1.233 6.491 1.00 0.00 C ATOM 1043 O CYS A 86 -4.509 -0.302 5.738 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.635 -3.471 5.751 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.284 -5.192 5.329 1.00 0.00 S ATOM 0 H CYS A 86 -4.176 -4.157 7.622 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.700 -2.644 5.327 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.358 -3.448 6.567 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.105 -2.987 4.895 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.369 -5.927 6.398 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.465 -1.059 7.631 1.00 0.00 N ATOM 1052 CA GLN A 87 -5.894 0.264 8.064 1.00 0.00 C ATOM 1053 C GLN A 87 -4.726 1.241 8.003 1.00 0.00 C ATOM 1054 O GLN A 87 -4.840 2.329 7.438 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.458 0.205 9.487 1.00 0.00 C ATOM 1056 CG GLN A 87 -7.933 -0.155 9.538 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.352 -0.716 10.883 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -7.707 -1.799 11.299 1.00 0.00 O flip ATOM 1059 NE2 GLN A 87 -9.246 -0.183 11.540 1.00 0.00 N flip ATOM 0 H GLN A 87 -5.715 -1.815 8.268 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.680 0.611 7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.893 -0.527 10.064 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.311 1.172 9.968 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.527 0.732 9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.151 -0.886 8.760 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.715 0.649 11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.517 -0.573 12.443 1.00 0.00 H new ATOM 1068 N SER A 88 -3.597 0.837 8.579 1.00 0.00 N ATOM 1069 CA SER A 88 -2.400 1.666 8.583 1.00 0.00 C ATOM 1070 C SER A 88 -2.018 2.066 7.160 1.00 0.00 C ATOM 1071 O SER A 88 -1.579 3.190 6.914 1.00 0.00 O ATOM 1072 CB SER A 88 -1.242 0.925 9.246 1.00 0.00 C ATOM 1073 OG SER A 88 -0.265 1.831 9.733 1.00 0.00 O ATOM 0 H SER A 88 -3.488 -0.062 9.049 1.00 0.00 H new ATOM 0 HA SER A 88 -2.613 2.570 9.154 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.619 0.316 10.068 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.784 0.244 8.529 1.00 0.00 H new ATOM 0 HG SER A 88 0.465 1.330 10.154 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.194 1.135 6.225 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.874 1.383 4.828 1.00 0.00 C ATOM 1081 C ILE A 89 -2.654 2.575 4.288 1.00 0.00 C ATOM 1082 O ILE A 89 -2.090 3.470 3.658 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.203 0.156 3.961 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.657 -1.117 4.605 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.648 0.328 2.560 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.172 -1.070 4.886 1.00 0.00 C ATOM 0 H ILE A 89 -2.558 0.201 6.414 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.805 1.593 4.780 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.287 0.066 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.189 -1.297 5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.867 -1.963 3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.891 -0.550 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.088 1.213 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.565 0.445 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.142 -2.009 5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.370 -0.922 3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.044 -0.246 5.566 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.960 2.569 4.527 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.828 3.628 4.061 1.00 0.00 C ATOM 1100 C ILE A 90 -4.554 4.955 4.766 1.00 0.00 C ATOM 1101 O ILE A 90 -4.392 5.984 4.112 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.300 3.241 4.250 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.562 1.848 3.673 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -7.188 4.270 3.584 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.832 1.206 4.188 1.00 0.00 C ATOM 0 H ILE A 90 -4.438 1.833 5.046 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.617 3.763 3.000 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.529 3.216 5.315 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.616 1.918 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.717 1.202 3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.233 3.992 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.011 5.248 4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.960 4.313 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.951 0.222 3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.774 1.103 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.687 1.831 3.928 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.505 4.942 6.096 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.249 6.175 6.837 1.00 0.00 C ATOM 1119 C LYS A 91 -2.889 6.755 6.471 1.00 0.00 C ATOM 1120 O LYS A 91 -2.633 7.942 6.674 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.342 5.963 8.348 1.00 0.00 C ATOM 1122 CG LYS A 91 -3.626 4.729 8.854 1.00 0.00 C ATOM 1123 CD LYS A 91 -4.451 4.032 9.920 1.00 0.00 C ATOM 1124 CE LYS A 91 -3.611 3.652 11.131 1.00 0.00 C ATOM 1125 NZ LYS A 91 -3.571 2.178 11.342 1.00 0.00 N ATOM 0 H LYS A 91 -4.636 4.111 6.673 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.025 6.886 6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.931 6.838 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.393 5.899 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.439 4.045 8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.655 5.007 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.265 4.685 10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.906 3.136 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.596 4.027 11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.017 4.135 12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.852 1.959 12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.227 1.715 10.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.606 1.829 11.173 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.024 5.913 5.920 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.702 6.358 5.521 1.00 0.00 C ATOM 1141 C GLY A 92 -0.744 7.333 4.358 1.00 0.00 C ATOM 1142 O GLY A 92 0.214 8.068 4.123 1.00 0.00 O ATOM 0 H GLY A 92 -2.215 4.927 5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.210 6.831 6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.099 5.493 5.244 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.859 7.342 3.628 1.00 0.00 N ATOM 1147 CA LEU A 93 -2.017 8.241 2.489 1.00 0.00 C ATOM 1148 C LEU A 93 -3.152 9.233 2.730 1.00 0.00 C ATOM 1149 O LEU A 93 -4.049 9.383 1.902 1.00 0.00 O ATOM 1150 CB LEU A 93 -2.275 7.449 1.202 1.00 0.00 C ATOM 1151 CG LEU A 93 -3.306 6.330 1.320 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.709 6.866 1.080 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.985 5.207 0.347 1.00 0.00 C ATOM 0 H LEU A 93 -2.662 6.739 3.805 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.088 8.799 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.603 8.143 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.332 7.018 0.865 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.265 5.929 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.429 6.053 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.936 7.634 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.768 7.296 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.730 4.417 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.997 5.594 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.997 4.804 0.570 1.00 0.00 H new ATOM 1165 N LYS A 94 -3.102 9.909 3.873 1.00 0.00 N ATOM 1166 CA LYS A 94 -4.122 10.888 4.230 1.00 0.00 C ATOM 1167 C LYS A 94 -3.899 12.207 3.495 1.00 0.00 C ATOM 1168 O LYS A 94 -4.850 12.929 3.194 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.117 11.126 5.742 1.00 0.00 C ATOM 1170 CG LYS A 94 -5.122 12.173 6.200 1.00 0.00 C ATOM 1171 CD LYS A 94 -5.247 12.200 7.717 1.00 0.00 C ATOM 1172 CE LYS A 94 -5.059 13.604 8.269 1.00 0.00 C ATOM 1173 NZ LYS A 94 -6.104 13.950 9.273 1.00 0.00 N ATOM 0 H LYS A 94 -2.365 9.796 4.569 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.092 10.490 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.329 10.185 6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.118 11.436 6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.814 13.155 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.096 11.963 5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.227 11.822 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.505 11.533 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.074 13.685 8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.089 14.323 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.941 14.915 9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.043 13.898 8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.059 13.279 10.067 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.639 12.517 3.211 1.00 0.00 N ATOM 1188 CA ASN A 95 -2.295 13.751 2.515 1.00 0.00 C ATOM 1189 C ASN A 95 -2.094 13.506 1.023 1.00 0.00 C ATOM 1190 O ASN A 95 -1.275 14.163 0.383 1.00 0.00 O ATOM 1191 CB ASN A 95 -1.028 14.365 3.117 1.00 0.00 C ATOM 1192 CG ASN A 95 0.097 13.357 3.250 1.00 0.00 C ATOM 1193 OD1 ASN A 95 0.912 13.197 2.342 1.00 0.00 O ATOM 1194 ND2 ASN A 95 0.144 12.671 4.386 1.00 0.00 N ATOM 0 H ASN A 95 -1.839 11.931 3.452 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.125 14.447 2.639 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.697 15.194 2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -1.259 14.779 4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.878 11.978 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.553 12.837 5.111 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.841 12.554 0.476 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.738 12.225 -0.939 1.00 0.00 C ATOM 1203 C GLN A 96 -3.799 12.949 -1.756 1.00 0.00 C ATOM 1204 O GLN A 96 -4.850 13.325 -1.239 1.00 0.00 O ATOM 1205 CB GLN A 96 -2.868 10.715 -1.141 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.532 10.023 -1.318 1.00 0.00 C ATOM 1207 CD GLN A 96 -1.667 8.599 -1.817 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -2.771 8.127 -2.090 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -0.542 7.905 -1.939 1.00 0.00 N ATOM 0 H GLN A 96 -3.523 11.998 0.991 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.759 12.554 -1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.384 10.283 -0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.489 10.523 -2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.924 10.593 -2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.001 10.020 -0.366 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.351 8.336 -1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.571 6.941 -2.270 1.00 0.00 H new ATOM 1218 N SER A 97 -3.516 13.132 -3.042 1.00 0.00 N ATOM 1219 CA SER A 97 -4.444 13.801 -3.944 1.00 0.00 C ATOM 1220 C SER A 97 -5.148 12.790 -4.848 1.00 0.00 C ATOM 1221 O SER A 97 -6.137 13.113 -5.508 1.00 0.00 O ATOM 1222 CB SER A 97 -3.705 14.843 -4.786 1.00 0.00 C ATOM 1223 OG SER A 97 -3.190 14.272 -5.976 1.00 0.00 O ATOM 0 H SER A 97 -2.649 12.825 -3.483 1.00 0.00 H new ATOM 0 HA SER A 97 -5.201 14.306 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.383 15.659 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.890 15.272 -4.204 1.00 0.00 H new ATOM 0 HG SER A 97 -2.725 14.961 -6.495 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.634 11.564 -4.864 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.209 10.495 -5.676 1.00 0.00 C ATOM 1231 C ARG A 98 -5.003 9.149 -4.991 1.00 0.00 C ATOM 1232 O ARG A 98 -3.883 8.800 -4.619 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.574 10.479 -7.069 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.519 10.010 -8.162 1.00 0.00 C ATOM 1235 CD ARG A 98 -6.256 11.176 -8.800 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.338 12.148 -9.390 1.00 0.00 N ATOM 1237 CZ ARG A 98 -5.113 12.268 -10.698 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -5.731 11.476 -11.567 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -4.264 13.185 -11.140 1.00 0.00 N ATOM 0 H ARG A 98 -3.817 11.285 -4.321 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.278 10.678 -5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.222 11.482 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.699 9.829 -7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.956 9.473 -8.925 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.240 9.307 -7.744 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.930 10.801 -9.570 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.873 11.670 -8.049 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.837 12.775 -8.760 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.385 10.767 -11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -5.551 11.577 -12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.785 13.797 -10.479 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.090 13.279 -12.141 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.087 8.403 -4.809 1.00 0.00 N ATOM 1254 CA VAL A 99 -6.010 7.106 -4.149 1.00 0.00 C ATOM 1255 C VAL A 99 -6.261 5.955 -5.117 1.00 0.00 C ATOM 1256 O VAL A 99 -7.400 5.687 -5.499 1.00 0.00 O ATOM 1257 CB VAL A 99 -7.017 7.008 -2.988 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.773 5.748 -2.172 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -6.943 8.247 -2.106 1.00 0.00 C ATOM 0 H VAL A 99 -7.024 8.673 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.995 7.023 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.021 6.951 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.495 5.697 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.886 4.873 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.763 5.770 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.662 8.158 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.938 8.341 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.175 9.131 -2.700 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.189 5.264 -5.492 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.282 4.127 -6.392 1.00 0.00 C ATOM 1271 C LYS A 100 -5.454 2.850 -5.584 1.00 0.00 C ATOM 1272 O LYS A 100 -4.685 2.582 -4.661 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.020 4.030 -7.247 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.116 2.992 -8.347 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.674 3.550 -9.693 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.850 3.716 -10.642 1.00 0.00 C ATOM 1277 NZ LYS A 100 -4.929 2.602 -11.628 1.00 0.00 N ATOM 0 H LYS A 100 -4.241 5.476 -5.182 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.143 4.261 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.817 5.004 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.173 3.791 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.498 2.132 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.143 2.635 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.185 4.513 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.936 2.883 -10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.776 3.760 -10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.758 4.664 -11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.744 2.752 -12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.056 2.576 -12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.042 1.700 -11.124 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.472 2.070 -5.916 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.736 0.833 -5.195 1.00 0.00 C ATOM 1293 C LEU A 101 -7.164 -0.278 -6.145 1.00 0.00 C ATOM 1294 O LEU A 101 -7.707 -0.021 -7.215 1.00 0.00 O ATOM 1295 CB LEU A 101 -7.827 1.043 -4.135 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.041 2.488 -3.667 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.524 2.821 -3.618 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.401 2.705 -2.303 1.00 0.00 C ATOM 0 H LEU A 101 -7.125 2.269 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.808 0.539 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.770 0.668 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.583 0.433 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.563 3.156 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.655 3.850 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.956 2.704 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.025 2.147 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.562 3.735 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.851 2.027 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.331 2.508 -2.368 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.934 -1.514 -5.730 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.323 -2.673 -6.518 1.00 0.00 C ATOM 1312 C ASN A 102 -8.256 -3.538 -5.688 1.00 0.00 C ATOM 1313 O ASN A 102 -7.811 -4.388 -4.916 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.094 -3.472 -6.960 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.845 -3.356 -8.451 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -4.711 -3.167 -8.890 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.909 -3.468 -9.237 1.00 0.00 N ATOM 0 H ASN A 102 -6.477 -1.741 -4.847 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.837 -2.341 -7.420 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.217 -3.118 -6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.230 -4.521 -6.696 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.805 -3.398 -10.249 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.831 -3.624 -8.829 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.554 -3.287 -5.815 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.544 -4.017 -5.036 1.00 0.00 C ATOM 1326 C ILE A 103 -11.451 -4.875 -5.911 1.00 0.00 C ATOM 1327 O ILE A 103 -11.416 -4.791 -7.136 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.402 -3.047 -4.183 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.633 -2.552 -4.947 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.565 -1.856 -3.734 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.668 -1.927 -4.045 1.00 0.00 C ATOM 0 H ILE A 103 -9.943 -2.587 -6.447 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.990 -4.684 -4.375 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.747 -3.602 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.322 -1.823 -5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.082 -3.388 -5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.180 -1.184 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.724 -2.207 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.191 -1.324 -4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.518 -1.595 -4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.004 -2.661 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.232 -1.073 -3.528 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.277 -5.685 -5.259 1.00 0.00 N ATOM 1344 CA VAL A 104 -13.219 -6.548 -5.957 1.00 0.00 C ATOM 1345 C VAL A 104 -14.647 -6.099 -5.671 1.00 0.00 C ATOM 1346 O VAL A 104 -15.080 -6.081 -4.518 1.00 0.00 O ATOM 1347 CB VAL A 104 -13.068 -8.036 -5.559 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -12.648 -8.870 -6.758 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -12.076 -8.201 -4.417 1.00 0.00 C ATOM 0 H VAL A 104 -12.312 -5.761 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.998 -6.463 -7.021 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.039 -8.391 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.547 -9.913 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.403 -8.789 -7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.692 -8.507 -7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.991 -9.257 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.101 -7.822 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.425 -7.642 -3.548 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.364 -5.720 -6.724 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.737 -5.251 -6.582 1.00 0.00 C ATOM 1361 C ARG A 105 -17.737 -6.264 -7.132 1.00 0.00 C ATOM 1362 O ARG A 105 -17.470 -6.950 -8.119 1.00 0.00 O ATOM 1363 CB ARG A 105 -16.910 -3.910 -7.294 1.00 0.00 C ATOM 1364 CG ARG A 105 -17.599 -2.860 -6.438 1.00 0.00 C ATOM 1365 CD ARG A 105 -18.716 -2.166 -7.196 1.00 0.00 C ATOM 1366 NE ARG A 105 -19.592 -3.117 -7.876 1.00 0.00 N ATOM 1367 CZ ARG A 105 -20.390 -2.795 -8.892 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -20.428 -1.548 -9.346 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -21.152 -3.722 -9.457 1.00 0.00 N ATOM 0 H ARG A 105 -15.017 -5.729 -7.683 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.937 -5.127 -5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.931 -3.538 -7.596 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.488 -4.062 -8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -18.004 -3.329 -5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -16.868 -2.121 -6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -19.304 -1.564 -6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -18.286 -1.482 -7.928 1.00 0.00 H new ATOM 0 HE ARG A 105 -19.592 -4.085 -7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -19.844 -0.831 -8.916 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.041 -1.307 -10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -21.127 -4.682 -9.113 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -21.763 -3.475 -10.235 1.00 0.00 H new ATOM 1384 N PRO B -3 -16.903 3.050 13.683 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.479 3.010 13.331 1.00 0.00 C ATOM 1386 C PRO B -3 -14.879 4.405 13.189 1.00 0.00 C ATOM 1387 O PRO B -3 -15.576 5.410 13.326 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.462 2.282 11.984 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.821 2.503 11.415 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.757 2.552 12.588 1.00 0.00 C ATOM 0 H2 PRO B -3 -17.169 4.008 13.912 1.00 0.00 H new ATOM 0 H3 PRO B -3 -17.062 2.488 14.519 1.00 0.00 H new ATOM 0 HA PRO B -3 -14.884 2.520 14.101 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.689 2.682 11.328 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -15.254 1.220 12.111 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.860 3.432 10.846 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.094 1.699 10.732 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -18.601 3.217 12.402 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.170 1.569 12.815 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.578 4.459 12.916 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.880 5.731 12.758 1.00 0.00 C ATOM 1400 C VAL B -2 -12.698 6.090 11.282 1.00 0.00 C ATOM 1401 O VAL B -2 -12.309 7.210 10.953 1.00 0.00 O ATOM 1402 CB VAL B -2 -11.501 5.702 13.446 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -10.614 4.631 12.829 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -10.835 7.069 13.371 1.00 0.00 C ATOM 0 H VAL B -2 -12.986 3.636 12.800 1.00 0.00 H new ATOM 0 HA VAL B -2 -13.500 6.491 13.233 1.00 0.00 H new ATOM 0 HB VAL B -2 -11.648 5.454 14.497 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -9.646 4.628 13.329 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -11.086 3.656 12.946 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -10.474 4.841 11.769 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -9.863 7.028 13.862 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -10.702 7.352 12.327 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -11.463 7.807 13.870 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.977 5.135 10.397 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.842 5.359 8.962 1.00 0.00 C ATOM 1416 C TYR B -1 -11.394 5.655 8.588 1.00 0.00 C ATOM 1417 O TYR B -1 -10.560 5.924 9.453 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.735 6.516 8.511 1.00 0.00 C ATOM 1419 CG TYR B -1 -15.213 6.260 8.710 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.769 6.251 9.981 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -16.050 6.031 7.625 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -17.118 6.019 10.168 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.399 5.801 7.804 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.930 5.795 9.077 1.00 0.00 C ATOM 1425 OH TYR B -1 -19.274 5.565 9.258 1.00 0.00 O ATOM 0 H TYR B -1 -13.297 4.200 10.650 1.00 0.00 H new ATOM 0 HA TYR B -1 -13.155 4.447 8.454 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.454 7.415 9.060 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.549 6.716 7.456 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -15.137 6.428 10.838 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.639 6.033 6.626 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -17.534 6.013 11.164 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -18.037 5.626 6.950 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.702 5.427 8.387 1.00 0.00 H new ATOM 1435 N ILE B 0 -11.107 5.613 7.292 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.766 5.884 6.793 1.00 0.00 C ATOM 1437 C ILE B 0 -9.817 6.791 5.572 1.00 0.00 C ATOM 1438 O ILE B 0 -10.939 7.135 5.144 1.00 0.00 O ATOM 1439 CB ILE B 0 -9.017 4.584 6.436 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.837 3.724 5.467 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.698 3.798 7.698 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.151 4.399 4.147 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.738 7.135 5.047 1.00 0.00 O ATOM 0 H ILE B 0 -11.789 5.393 6.566 1.00 0.00 H new ATOM 0 HA ILE B 0 -9.223 6.386 7.594 1.00 0.00 H new ATOM 0 HB ILE B 0 -8.084 4.854 5.942 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.292 2.801 5.269 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.773 3.445 5.951 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -8.169 2.883 7.433 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -8.071 4.402 8.354 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.625 3.545 8.213 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.733 3.722 3.522 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.725 5.307 4.330 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.221 4.654 3.638 1.00 0.00 H new