USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 833 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 21 GLN : amide:sc= -1.51 K(o=-1.3,f=-6!) USER MOD Set 1.2: A 22 SER OG : rot 36:sc= 0.189 USER MOD Set 2.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.457 (180deg=0.128) USER MOD Single : A 2 GLN : amide:sc= -0.576 K(o=-0.58,f=-1.3) USER MOD Single : A 4 GLN : amide:sc= -0.0505 X(o=-0.05,f=-0.023) USER MOD Single : A 6 SER OG : rot 180:sc= 0.029 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 24 HIS : no HE2:sc= -0.121 K(o=-0.12,f=-1.8) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.347 USER MOD Single : A 38 CYS SG : rot -4:sc= 0.0506 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc=-0.00537 X(o=-0.0054,f=-0.46) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00428 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0187) USER MOD Single : A 56 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.04) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -130:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.079) USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= -0.0732 (180deg=-0.232) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.089 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0871 K(o=-0.087,f=-0.69) USER MOD Single : A 85 ASN : amide:sc=-0.00866 K(o=-0.0087,f=-1.5) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0036 X(o=-0.0036,f=-0.0036) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.067 3.438 -12.425 1.00 0.43 N ATOM 2 CA MET A 1 4.988 3.376 -13.404 1.00 3.33 C ATOM 3 C MET A 1 3.851 4.318 -13.020 1.00 23.34 C ATOM 4 O MET A 1 3.347 4.270 -11.898 1.00 61.31 O ATOM 5 CB MET A 1 4.462 1.945 -13.525 1.00 40.44 C ATOM 6 CG MET A 1 5.374 1.028 -14.326 1.00 10.34 C ATOM 7 SD MET A 1 6.641 0.248 -13.306 1.00 72.15 S ATOM 8 CE MET A 1 6.742 -1.368 -14.072 1.00 21.33 C ATOM 0 H1 MET A 1 6.560 2.523 -12.394 1.00 0.43 H new ATOM 0 H2 MET A 1 6.739 4.185 -12.695 1.00 0.43 H new ATOM 0 H3 MET A 1 5.672 3.651 -11.487 1.00 0.43 H new ATOM 0 HA MET A 1 5.387 3.691 -14.368 1.00 3.33 H new ATOM 0 HB2 MET A 1 4.329 1.530 -12.526 1.00 40.44 H new ATOM 0 HB3 MET A 1 3.479 1.966 -13.995 1.00 40.44 H new ATOM 0 HG2 MET A 1 4.774 0.256 -14.808 1.00 10.34 H new ATOM 0 HG3 MET A 1 5.853 1.601 -15.120 1.00 10.34 H new ATOM 0 HE1 MET A 1 7.486 -1.971 -13.552 1.00 21.33 H new ATOM 0 HE2 MET A 1 5.771 -1.860 -14.013 1.00 21.33 H new ATOM 0 HE3 MET A 1 7.030 -1.258 -15.117 1.00 21.33 H new ATOM 18 N GLN A 2 3.454 5.172 -13.958 1.00 31.31 N ATOM 19 CA GLN A 2 2.376 6.124 -13.715 1.00 42.00 C ATOM 20 C GLN A 2 1.181 5.835 -14.617 1.00 30.30 C ATOM 21 O GLN A 2 0.421 6.739 -14.964 1.00 33.42 O ATOM 22 CB GLN A 2 2.869 7.554 -13.946 1.00 5.34 C ATOM 23 CG GLN A 2 3.647 7.727 -15.241 1.00 54.51 C ATOM 24 CD GLN A 2 5.127 7.445 -15.075 1.00 50.32 C ATOM 25 OE1 GLN A 2 5.739 7.843 -14.083 1.00 45.20 O ATOM 26 NE2 GLN A 2 5.711 6.756 -16.048 1.00 53.32 N ATOM 0 H GLN A 2 3.862 5.224 -14.892 1.00 31.31 H new ATOM 0 HA GLN A 2 2.059 6.019 -12.677 1.00 42.00 H new ATOM 0 HB2 GLN A 2 2.012 8.228 -13.953 1.00 5.34 H new ATOM 0 HB3 GLN A 2 3.501 7.851 -13.109 1.00 5.34 H new ATOM 0 HG2 GLN A 2 3.237 7.060 -15.999 1.00 54.51 H new ATOM 0 HG3 GLN A 2 3.514 8.745 -15.607 1.00 54.51 H new ATOM 0 HE21 GLN A 2 5.165 6.446 -16.852 1.00 53.32 H new ATOM 0 HE22 GLN A 2 6.706 6.537 -15.992 1.00 53.32 H new ATOM 35 N GLU A 3 1.022 4.570 -14.993 1.00 71.12 N ATOM 36 CA GLU A 3 -0.081 4.163 -15.855 1.00 71.13 C ATOM 37 C GLU A 3 -1.075 3.292 -15.092 1.00 63.44 C ATOM 38 O GLU A 3 -0.737 2.199 -14.638 1.00 23.15 O ATOM 39 CB GLU A 3 0.448 3.405 -17.074 1.00 70.42 C ATOM 40 CG GLU A 3 1.307 4.255 -17.995 1.00 12.13 C ATOM 41 CD GLU A 3 1.512 3.619 -19.354 1.00 65.25 C ATOM 42 OE1 GLU A 3 0.688 3.870 -20.259 1.00 71.00 O ATOM 43 OE2 GLU A 3 2.498 2.869 -19.517 1.00 13.13 O ATOM 0 H GLU A 3 1.643 3.810 -14.714 1.00 71.12 H new ATOM 0 HA GLU A 3 -0.596 5.063 -16.192 1.00 71.13 H new ATOM 0 HB2 GLU A 3 1.032 2.550 -16.734 1.00 70.42 H new ATOM 0 HB3 GLU A 3 -0.396 3.010 -17.640 1.00 70.42 H new ATOM 0 HG2 GLU A 3 0.840 5.232 -18.122 1.00 12.13 H new ATOM 0 HG3 GLU A 3 2.277 4.424 -17.527 1.00 12.13 H new ATOM 50 N GLN A 4 -2.302 3.784 -14.957 1.00 71.42 N ATOM 51 CA GLN A 4 -3.345 3.051 -14.249 1.00 22.23 C ATOM 52 C GLN A 4 -4.657 3.084 -15.026 1.00 10.12 C ATOM 53 O GLN A 4 -4.747 3.703 -16.086 1.00 71.31 O ATOM 54 CB GLN A 4 -3.551 3.638 -12.852 1.00 11.05 C ATOM 55 CG GLN A 4 -2.522 3.166 -11.836 1.00 71.10 C ATOM 56 CD GLN A 4 -2.775 1.748 -11.365 1.00 33.21 C ATOM 57 OE1 GLN A 4 -1.945 0.859 -11.562 1.00 32.34 O ATOM 58 NE2 GLN A 4 -3.924 1.528 -10.738 1.00 72.43 N ATOM 0 H GLN A 4 -2.598 4.687 -15.328 1.00 71.42 H new ATOM 0 HA GLN A 4 -3.025 2.013 -14.156 1.00 22.23 H new ATOM 0 HB2 GLN A 4 -3.515 4.726 -12.915 1.00 11.05 H new ATOM 0 HB3 GLN A 4 -4.547 3.372 -12.498 1.00 11.05 H new ATOM 0 HG2 GLN A 4 -1.527 3.226 -12.277 1.00 71.10 H new ATOM 0 HG3 GLN A 4 -2.531 3.837 -10.977 1.00 71.10 H new ATOM 0 HE21 GLN A 4 -4.583 2.294 -10.596 1.00 72.43 H new ATOM 0 HE22 GLN A 4 -4.148 0.593 -10.398 1.00 72.43 H new ATOM 67 N VAL A 5 -5.673 2.415 -14.490 1.00 21.32 N ATOM 68 CA VAL A 5 -6.981 2.368 -15.132 1.00 41.02 C ATOM 69 C VAL A 5 -8.037 1.806 -14.188 1.00 55.03 C ATOM 70 O VAL A 5 -7.784 0.850 -13.454 1.00 1.31 O ATOM 71 CB VAL A 5 -6.947 1.513 -16.413 1.00 64.12 C ATOM 72 CG1 VAL A 5 -6.515 0.090 -16.095 1.00 73.15 C ATOM 73 CG2 VAL A 5 -8.306 1.527 -17.098 1.00 24.52 C ATOM 0 H VAL A 5 -5.615 1.898 -13.613 1.00 21.32 H new ATOM 0 HA VAL A 5 -7.241 3.393 -15.395 1.00 41.02 H new ATOM 0 HB VAL A 5 -6.216 1.943 -17.097 1.00 64.12 H new ATOM 0 HG11 VAL A 5 -6.497 -0.498 -17.012 1.00 73.15 H new ATOM 0 HG12 VAL A 5 -5.519 0.102 -15.652 1.00 73.15 H new ATOM 0 HG13 VAL A 5 -7.219 -0.355 -15.392 1.00 73.15 H new ATOM 0 HG21 VAL A 5 -8.264 0.918 -18.001 1.00 24.52 H new ATOM 0 HG22 VAL A 5 -9.059 1.122 -16.422 1.00 24.52 H new ATOM 0 HG23 VAL A 5 -8.570 2.551 -17.363 1.00 24.52 H new ATOM 83 N SER A 6 -9.223 2.405 -14.212 1.00 73.43 N ATOM 84 CA SER A 6 -10.319 1.967 -13.355 1.00 21.35 C ATOM 85 C SER A 6 -11.245 1.012 -14.103 1.00 11.24 C ATOM 86 O SER A 6 -11.668 1.290 -15.224 1.00 14.54 O ATOM 87 CB SER A 6 -11.112 3.173 -12.849 1.00 35.42 C ATOM 88 OG SER A 6 -11.238 4.161 -13.857 1.00 4.20 O ATOM 0 H SER A 6 -9.450 3.195 -14.816 1.00 73.43 H new ATOM 0 HA SER A 6 -9.892 1.439 -12.503 1.00 21.35 H new ATOM 0 HB2 SER A 6 -12.102 2.851 -12.525 1.00 35.42 H new ATOM 0 HB3 SER A 6 -10.615 3.599 -11.978 1.00 35.42 H new ATOM 0 HG SER A 6 -11.750 4.920 -13.509 1.00 4.20 H new ATOM 94 N ASN A 7 -11.555 -0.116 -13.472 1.00 20.51 N ATOM 95 CA ASN A 7 -12.431 -1.114 -14.076 1.00 0.44 C ATOM 96 C ASN A 7 -13.099 -1.972 -13.006 1.00 3.52 C ATOM 97 O ASN A 7 -12.815 -1.831 -11.816 1.00 72.22 O ATOM 98 CB ASN A 7 -11.638 -2.002 -15.037 1.00 61.42 C ATOM 99 CG ASN A 7 -10.338 -2.495 -14.431 1.00 55.22 C ATOM 100 OD1 ASN A 7 -9.308 -1.827 -14.517 1.00 54.11 O ATOM 101 ND2 ASN A 7 -10.381 -3.670 -13.813 1.00 73.43 N ATOM 0 H ASN A 7 -11.213 -0.362 -12.543 1.00 20.51 H new ATOM 0 HA ASN A 7 -13.208 -0.590 -14.632 1.00 0.44 H new ATOM 0 HB2 ASN A 7 -12.249 -2.858 -15.324 1.00 61.42 H new ATOM 0 HB3 ASN A 7 -11.422 -1.444 -15.948 1.00 61.42 H new ATOM 0 HD21 ASN A 7 -9.538 -4.053 -13.386 1.00 73.43 H new ATOM 0 HD22 ASN A 7 -11.257 -4.190 -13.766 1.00 73.43 H new ATOM 108 N VAL A 8 -13.986 -2.862 -13.437 1.00 43.23 N ATOM 109 CA VAL A 8 -14.692 -3.745 -12.517 1.00 73.44 C ATOM 110 C VAL A 8 -14.233 -5.189 -12.678 1.00 43.10 C ATOM 111 O VAL A 8 -13.368 -5.488 -13.502 1.00 73.02 O ATOM 112 CB VAL A 8 -16.217 -3.676 -12.733 1.00 25.25 C ATOM 113 CG1 VAL A 8 -16.742 -2.289 -12.395 1.00 21.44 C ATOM 114 CG2 VAL A 8 -16.570 -4.055 -14.163 1.00 12.33 C ATOM 0 H VAL A 8 -14.233 -2.991 -14.418 1.00 43.23 H new ATOM 0 HA VAL A 8 -14.458 -3.403 -11.509 1.00 73.44 H new ATOM 0 HB VAL A 8 -16.694 -4.392 -12.064 1.00 25.25 H new ATOM 0 HG11 VAL A 8 -17.820 -2.259 -12.554 1.00 21.44 H new ATOM 0 HG12 VAL A 8 -16.522 -2.061 -11.352 1.00 21.44 H new ATOM 0 HG13 VAL A 8 -16.261 -1.551 -13.037 1.00 21.44 H new ATOM 0 HG21 VAL A 8 -17.650 -4.001 -14.298 1.00 12.33 H new ATOM 0 HG22 VAL A 8 -16.083 -3.366 -14.853 1.00 12.33 H new ATOM 0 HG23 VAL A 8 -16.230 -5.071 -14.365 1.00 12.33 H new ATOM 124 N ARG A 9 -14.816 -6.082 -11.885 1.00 23.23 N ATOM 125 CA ARG A 9 -14.465 -7.496 -11.938 1.00 43.45 C ATOM 126 C ARG A 9 -15.694 -8.370 -11.708 1.00 45.12 C ATOM 127 O ARG A 9 -16.664 -7.943 -11.083 1.00 63.13 O ATOM 128 CB ARG A 9 -13.394 -7.818 -10.894 1.00 72.05 C ATOM 129 CG ARG A 9 -12.145 -6.960 -11.019 1.00 23.45 C ATOM 130 CD ARG A 9 -12.240 -5.710 -10.159 1.00 50.42 C ATOM 131 NE ARG A 9 -10.936 -5.300 -9.644 1.00 20.25 N ATOM 132 CZ ARG A 9 -10.769 -4.314 -8.770 1.00 3.52 C ATOM 133 NH1 ARG A 9 -11.816 -3.640 -8.317 1.00 54.44 N ATOM 134 NH2 ARG A 9 -9.550 -4.000 -8.347 1.00 74.52 N ATOM 0 H ARG A 9 -15.534 -5.851 -11.198 1.00 23.23 H new ATOM 0 HA ARG A 9 -14.069 -7.709 -12.931 1.00 43.45 H new ATOM 0 HB2 ARG A 9 -13.818 -7.686 -9.898 1.00 72.05 H new ATOM 0 HB3 ARG A 9 -13.114 -8.868 -10.984 1.00 72.05 H new ATOM 0 HG2 ARG A 9 -11.272 -7.541 -10.723 1.00 23.45 H new ATOM 0 HG3 ARG A 9 -12.000 -6.676 -12.061 1.00 23.45 H new ATOM 0 HD2 ARG A 9 -12.670 -4.898 -10.746 1.00 50.42 H new ATOM 0 HD3 ARG A 9 -12.918 -5.894 -9.325 1.00 50.42 H new ATOM 0 HE ARG A 9 -10.109 -5.798 -9.973 1.00 20.25 H new ATOM 0 HH11 ARG A 9 -12.754 -3.878 -8.639 1.00 54.44 H new ATOM 0 HH12 ARG A 9 -11.684 -2.883 -7.646 1.00 54.44 H new ATOM 0 HH21 ARG A 9 -8.741 -4.516 -8.693 1.00 74.52 H new ATOM 0 HH22 ARG A 9 -9.422 -3.243 -7.676 1.00 74.52 H new ATOM 148 N ALA A 10 -15.646 -9.597 -12.219 1.00 44.41 N ATOM 149 CA ALA A 10 -16.754 -10.531 -12.068 1.00 21.13 C ATOM 150 C ALA A 10 -16.330 -11.760 -11.270 1.00 40.11 C ATOM 151 O ALA A 10 -15.161 -12.144 -11.278 1.00 31.43 O ATOM 152 CB ALA A 10 -17.286 -10.943 -13.433 1.00 32.35 C ATOM 0 H ALA A 10 -14.851 -9.966 -12.741 1.00 44.41 H new ATOM 0 HA ALA A 10 -17.549 -10.029 -11.517 1.00 21.13 H new ATOM 0 HB1 ALA A 10 -18.113 -11.641 -13.305 1.00 32.35 H new ATOM 0 HB2 ALA A 10 -17.635 -10.060 -13.969 1.00 32.35 H new ATOM 0 HB3 ALA A 10 -16.491 -11.423 -14.004 1.00 32.35 H new ATOM 158 N ARG A 11 -17.288 -12.371 -10.581 1.00 73.15 N ATOM 159 CA ARG A 11 -17.014 -13.556 -9.776 1.00 13.30 C ATOM 160 C ARG A 11 -17.821 -14.751 -10.274 1.00 44.54 C ATOM 161 O ARG A 11 -19.021 -14.854 -10.017 1.00 41.45 O ATOM 162 CB ARG A 11 -17.339 -13.285 -8.306 1.00 12.23 C ATOM 163 CG ARG A 11 -16.287 -12.451 -7.593 1.00 32.12 C ATOM 164 CD ARG A 11 -15.086 -13.294 -7.192 1.00 53.35 C ATOM 165 NE ARG A 11 -14.780 -13.169 -5.770 1.00 14.00 N ATOM 166 CZ ARG A 11 -15.424 -13.836 -4.818 1.00 52.54 C ATOM 167 NH1 ARG A 11 -16.404 -14.670 -5.137 1.00 55.30 N ATOM 168 NH2 ARG A 11 -15.088 -13.669 -3.546 1.00 64.22 N ATOM 0 H ARG A 11 -18.261 -12.065 -10.564 1.00 73.15 H new ATOM 0 HA ARG A 11 -15.954 -13.791 -9.870 1.00 13.30 H new ATOM 0 HB2 ARG A 11 -18.300 -12.774 -8.243 1.00 12.23 H new ATOM 0 HB3 ARG A 11 -17.450 -14.236 -7.786 1.00 12.23 H new ATOM 0 HG2 ARG A 11 -15.962 -11.639 -8.244 1.00 32.12 H new ATOM 0 HG3 ARG A 11 -16.724 -11.993 -6.706 1.00 32.12 H new ATOM 0 HD2 ARG A 11 -15.281 -14.340 -7.430 1.00 53.35 H new ATOM 0 HD3 ARG A 11 -14.218 -12.990 -7.778 1.00 53.35 H new ATOM 0 HE ARG A 11 -14.031 -12.535 -5.492 1.00 14.00 H new ATOM 0 HH11 ARG A 11 -16.665 -14.801 -6.114 1.00 55.30 H new ATOM 0 HH12 ARG A 11 -16.897 -15.181 -4.405 1.00 55.30 H new ATOM 0 HH21 ARG A 11 -14.335 -13.028 -3.297 1.00 64.22 H new ATOM 0 HH22 ARG A 11 -15.583 -14.182 -2.816 1.00 64.22 H new ATOM 182 N ILE A 12 -17.155 -15.651 -10.989 1.00 4.42 N ATOM 183 CA ILE A 12 -17.810 -16.838 -11.523 1.00 23.21 C ATOM 184 C ILE A 12 -17.479 -18.071 -10.687 1.00 50.13 C ATOM 185 O ILE A 12 -16.317 -18.458 -10.566 1.00 21.54 O ATOM 186 CB ILE A 12 -17.400 -17.099 -12.985 1.00 4.34 C ATOM 187 CG1 ILE A 12 -17.711 -15.875 -13.850 1.00 65.12 C ATOM 188 CG2 ILE A 12 -18.111 -18.331 -13.524 1.00 13.32 C ATOM 189 CD1 ILE A 12 -17.132 -15.959 -15.246 1.00 34.33 C ATOM 0 H ILE A 12 -16.162 -15.581 -11.212 1.00 4.42 H new ATOM 0 HA ILE A 12 -18.883 -16.651 -11.483 1.00 23.21 H new ATOM 0 HB ILE A 12 -16.326 -17.281 -13.019 1.00 4.34 H new ATOM 0 HG12 ILE A 12 -18.792 -15.755 -13.920 1.00 65.12 H new ATOM 0 HG13 ILE A 12 -17.323 -14.984 -13.357 1.00 65.12 H new ATOM 0 HG21 ILE A 12 -17.810 -18.501 -14.558 1.00 13.32 H new ATOM 0 HG22 ILE A 12 -17.844 -19.199 -12.921 1.00 13.32 H new ATOM 0 HG23 ILE A 12 -19.189 -18.177 -13.480 1.00 13.32 H new ATOM 0 HD11 ILE A 12 -17.392 -15.058 -15.802 1.00 34.33 H new ATOM 0 HD12 ILE A 12 -16.047 -16.048 -15.185 1.00 34.33 H new ATOM 0 HD13 ILE A 12 -17.540 -16.831 -15.757 1.00 34.33 H new ATOM 201 N TYR A 13 -18.509 -18.683 -10.115 1.00 74.13 N ATOM 202 CA TYR A 13 -18.330 -19.872 -9.290 1.00 53.31 C ATOM 203 C TYR A 13 -19.167 -21.033 -9.818 1.00 22.34 C ATOM 204 O TYR A 13 -20.273 -20.839 -10.322 1.00 0.41 O ATOM 205 CB TYR A 13 -18.710 -19.573 -7.839 1.00 12.24 C ATOM 206 CG TYR A 13 -18.764 -20.803 -6.961 1.00 61.33 C ATOM 207 CD1 TYR A 13 -17.609 -21.514 -6.655 1.00 52.04 C ATOM 208 CD2 TYR A 13 -19.969 -21.255 -6.438 1.00 23.31 C ATOM 209 CE1 TYR A 13 -17.654 -22.638 -5.854 1.00 73.34 C ATOM 210 CE2 TYR A 13 -20.023 -22.378 -5.634 1.00 63.15 C ATOM 211 CZ TYR A 13 -18.863 -23.067 -5.346 1.00 44.24 C ATOM 212 OH TYR A 13 -18.912 -24.186 -4.548 1.00 0.12 O ATOM 0 H TYR A 13 -19.477 -18.376 -10.207 1.00 74.13 H new ATOM 0 HA TYR A 13 -17.279 -20.157 -9.332 1.00 53.31 H new ATOM 0 HB2 TYR A 13 -17.989 -18.870 -7.421 1.00 12.24 H new ATOM 0 HB3 TYR A 13 -19.683 -19.081 -7.821 1.00 12.24 H new ATOM 0 HD1 TYR A 13 -16.661 -21.182 -7.050 1.00 52.04 H new ATOM 0 HD2 TYR A 13 -20.879 -20.720 -6.664 1.00 23.31 H new ATOM 0 HE1 TYR A 13 -16.747 -23.179 -5.626 1.00 73.34 H new ATOM 0 HE2 TYR A 13 -20.968 -22.714 -5.233 1.00 63.15 H new ATOM 0 HH TYR A 13 -19.838 -24.351 -4.273 1.00 0.12 H new ATOM 222 N LYS A 14 -18.630 -22.243 -9.697 1.00 53.43 N ATOM 223 CA LYS A 14 -19.325 -23.438 -10.160 1.00 73.12 C ATOM 224 C LYS A 14 -19.792 -24.286 -8.981 1.00 11.22 C ATOM 225 O LYS A 14 -19.083 -25.173 -8.504 1.00 10.30 O ATOM 226 CB LYS A 14 -18.412 -24.266 -11.067 1.00 61.02 C ATOM 227 CG LYS A 14 -19.121 -25.419 -11.756 1.00 14.43 C ATOM 228 CD LYS A 14 -18.144 -26.303 -12.512 1.00 33.01 C ATOM 229 CE LYS A 14 -17.435 -27.274 -11.580 1.00 70.33 C ATOM 230 NZ LYS A 14 -16.726 -28.347 -12.333 1.00 34.31 N ATOM 0 H LYS A 14 -17.715 -22.421 -9.282 1.00 53.43 H new ATOM 0 HA LYS A 14 -20.200 -23.122 -10.728 1.00 73.12 H new ATOM 0 HB2 LYS A 14 -17.978 -23.613 -11.824 1.00 61.02 H new ATOM 0 HB3 LYS A 14 -17.586 -24.660 -10.475 1.00 61.02 H new ATOM 0 HG2 LYS A 14 -19.653 -26.015 -11.015 1.00 14.43 H new ATOM 0 HG3 LYS A 14 -19.868 -25.027 -12.447 1.00 14.43 H new ATOM 0 HD2 LYS A 14 -18.677 -26.860 -13.283 1.00 33.01 H new ATOM 0 HD3 LYS A 14 -17.407 -25.681 -13.020 1.00 33.01 H new ATOM 0 HE2 LYS A 14 -16.720 -26.729 -10.964 1.00 70.33 H new ATOM 0 HE3 LYS A 14 -18.161 -27.724 -10.903 1.00 70.33 H new ATOM 0 HZ1 LYS A 14 -16.255 -28.988 -11.663 1.00 34.31 H new ATOM 0 HZ2 LYS A 14 -17.412 -28.883 -12.902 1.00 34.31 H new ATOM 0 HZ3 LYS A 14 -16.015 -27.919 -12.960 1.00 34.31 H new ATOM 244 N PRO A 15 -21.014 -24.011 -8.500 1.00 24.02 N ATOM 245 CA PRO A 15 -21.602 -24.740 -7.372 1.00 74.32 C ATOM 246 C PRO A 15 -21.961 -26.177 -7.734 1.00 61.23 C ATOM 247 O PRO A 15 -22.973 -26.427 -8.389 1.00 24.30 O ATOM 248 CB PRO A 15 -22.867 -23.937 -7.053 1.00 4.21 C ATOM 249 CG PRO A 15 -23.219 -23.261 -8.333 1.00 21.14 C ATOM 250 CD PRO A 15 -21.914 -22.969 -9.021 1.00 14.13 C ATOM 0 HA PRO A 15 -20.910 -24.823 -6.534 1.00 74.32 H new ATOM 0 HB2 PRO A 15 -23.674 -24.587 -6.714 1.00 4.21 H new ATOM 0 HB3 PRO A 15 -22.686 -23.212 -6.259 1.00 4.21 H new ATOM 0 HG2 PRO A 15 -23.851 -23.899 -8.950 1.00 21.14 H new ATOM 0 HG3 PRO A 15 -23.777 -22.343 -8.149 1.00 21.14 H new ATOM 0 HD2 PRO A 15 -22.010 -23.026 -10.105 1.00 14.13 H new ATOM 0 HD3 PRO A 15 -21.550 -21.969 -8.785 1.00 14.13 H new ATOM 258 N ALA A 16 -21.126 -27.117 -7.304 1.00 41.32 N ATOM 259 CA ALA A 16 -21.357 -28.530 -7.581 1.00 52.44 C ATOM 260 C ALA A 16 -21.742 -29.282 -6.312 1.00 11.02 C ATOM 261 O ALA A 16 -20.930 -29.438 -5.400 1.00 41.14 O ATOM 262 CB ALA A 16 -20.121 -29.152 -8.212 1.00 63.45 C ATOM 0 H ALA A 16 -20.283 -26.926 -6.762 1.00 41.32 H new ATOM 0 HA ALA A 16 -22.187 -28.607 -8.283 1.00 52.44 H new ATOM 0 HB1 ALA A 16 -20.307 -30.207 -8.414 1.00 63.45 H new ATOM 0 HB2 ALA A 16 -19.892 -28.639 -9.146 1.00 63.45 H new ATOM 0 HB3 ALA A 16 -19.277 -29.057 -7.529 1.00 63.45 H new ATOM 268 N LYS A 17 -22.986 -29.746 -6.258 1.00 64.33 N ATOM 269 CA LYS A 17 -23.479 -30.484 -5.102 1.00 55.54 C ATOM 270 C LYS A 17 -24.833 -31.121 -5.400 1.00 1.35 C ATOM 271 O LYS A 17 -25.346 -31.018 -6.513 1.00 10.31 O ATOM 272 CB LYS A 17 -23.596 -29.554 -3.891 1.00 24.21 C ATOM 273 CG LYS A 17 -24.492 -28.353 -4.131 1.00 53.03 C ATOM 274 CD LYS A 17 -24.968 -27.740 -2.824 1.00 3.34 C ATOM 275 CE LYS A 17 -23.847 -26.987 -2.124 1.00 15.33 C ATOM 276 NZ LYS A 17 -24.359 -26.153 -1.000 1.00 41.10 N ATOM 0 H LYS A 17 -23.672 -29.623 -7.003 1.00 64.33 H new ATOM 0 HA LYS A 17 -22.766 -31.277 -4.877 1.00 55.54 H new ATOM 0 HB2 LYS A 17 -23.982 -30.121 -3.044 1.00 24.21 H new ATOM 0 HB3 LYS A 17 -22.601 -29.205 -3.614 1.00 24.21 H new ATOM 0 HG2 LYS A 17 -23.950 -27.604 -4.709 1.00 53.03 H new ATOM 0 HG3 LYS A 17 -25.353 -28.654 -4.727 1.00 53.03 H new ATOM 0 HD2 LYS A 17 -25.798 -27.061 -3.020 1.00 3.34 H new ATOM 0 HD3 LYS A 17 -25.346 -28.525 -2.169 1.00 3.34 H new ATOM 0 HE2 LYS A 17 -23.113 -27.698 -1.744 1.00 15.33 H new ATOM 0 HE3 LYS A 17 -23.332 -26.351 -2.844 1.00 15.33 H new ATOM 0 HZ1 LYS A 17 -23.566 -25.655 -0.548 1.00 41.10 H new ATOM 0 HZ2 LYS A 17 -25.040 -25.458 -1.366 1.00 41.10 H new ATOM 0 HZ3 LYS A 17 -24.829 -26.763 -0.301 1.00 41.10 H new ATOM 290 N SER A 18 -25.405 -31.778 -4.396 1.00 22.01 N ATOM 291 CA SER A 18 -26.698 -32.435 -4.551 1.00 50.35 C ATOM 292 C SER A 18 -27.807 -31.407 -4.763 1.00 65.11 C ATOM 293 O SER A 18 -27.565 -30.200 -4.733 1.00 74.22 O ATOM 294 CB SER A 18 -27.009 -33.292 -3.323 1.00 15.20 C ATOM 295 OG SER A 18 -27.385 -32.485 -2.221 1.00 34.24 O ATOM 0 H SER A 18 -24.994 -31.870 -3.467 1.00 22.01 H new ATOM 0 HA SER A 18 -26.649 -33.078 -5.430 1.00 50.35 H new ATOM 0 HB2 SER A 18 -27.812 -33.991 -3.557 1.00 15.20 H new ATOM 0 HB3 SER A 18 -26.135 -33.888 -3.060 1.00 15.20 H new ATOM 0 HG SER A 18 -27.580 -33.056 -1.449 1.00 34.24 H new ATOM 301 N THR A 19 -29.024 -31.895 -4.978 1.00 24.22 N ATOM 302 CA THR A 19 -30.170 -31.023 -5.197 1.00 12.23 C ATOM 303 C THR A 19 -30.493 -30.215 -3.944 1.00 1.32 C ATOM 304 O THR A 19 -31.050 -30.741 -2.981 1.00 0.02 O ATOM 305 CB THR A 19 -31.418 -31.826 -5.610 1.00 44.54 C ATOM 306 OG1 THR A 19 -31.029 -32.988 -6.351 1.00 42.42 O ATOM 307 CG2 THR A 19 -32.356 -30.973 -6.450 1.00 71.22 C ATOM 0 H THR A 19 -29.241 -32.891 -5.005 1.00 24.22 H new ATOM 0 HA THR A 19 -29.900 -30.344 -6.006 1.00 12.23 H new ATOM 0 HB THR A 19 -31.943 -32.132 -4.705 1.00 44.54 H new ATOM 0 HG1 THR A 19 -31.828 -33.494 -6.609 1.00 42.42 H new ATOM 0 HG21 THR A 19 -33.230 -31.561 -6.730 1.00 71.22 H new ATOM 0 HG22 THR A 19 -32.673 -30.104 -5.873 1.00 71.22 H new ATOM 0 HG23 THR A 19 -31.838 -30.641 -7.350 1.00 71.22 H new ATOM 315 N MET A 20 -30.139 -28.934 -3.965 1.00 12.44 N ATOM 316 CA MET A 20 -30.392 -28.053 -2.831 1.00 55.13 C ATOM 317 C MET A 20 -31.865 -28.089 -2.434 1.00 54.44 C ATOM 318 O MET A 20 -32.695 -28.656 -3.145 1.00 13.31 O ATOM 319 CB MET A 20 -29.977 -26.620 -3.168 1.00 74.52 C ATOM 320 CG MET A 20 -29.563 -25.805 -1.953 1.00 31.53 C ATOM 321 SD MET A 20 -28.436 -24.461 -2.369 1.00 52.05 S ATOM 322 CE MET A 20 -27.769 -24.066 -0.754 1.00 51.53 C ATOM 0 H MET A 20 -29.676 -28.483 -4.754 1.00 12.44 H new ATOM 0 HA MET A 20 -29.798 -28.406 -1.988 1.00 55.13 H new ATOM 0 HB2 MET A 20 -29.149 -26.647 -3.876 1.00 74.52 H new ATOM 0 HB3 MET A 20 -30.806 -26.118 -3.667 1.00 74.52 H new ATOM 0 HG2 MET A 20 -30.453 -25.393 -1.476 1.00 31.53 H new ATOM 0 HG3 MET A 20 -29.086 -26.462 -1.225 1.00 31.53 H new ATOM 0 HE1 MET A 20 -27.053 -23.249 -0.846 1.00 51.53 H new ATOM 0 HE2 MET A 20 -28.579 -23.765 -0.089 1.00 51.53 H new ATOM 0 HE3 MET A 20 -27.269 -24.943 -0.343 1.00 51.53 H new ATOM 332 N GLN A 21 -32.182 -27.479 -1.297 1.00 13.32 N ATOM 333 CA GLN A 21 -33.554 -27.442 -0.806 1.00 75.01 C ATOM 334 C GLN A 21 -34.379 -26.412 -1.573 1.00 21.24 C ATOM 335 O GLN A 21 -35.573 -26.605 -1.802 1.00 53.10 O ATOM 336 CB GLN A 21 -33.576 -27.120 0.689 1.00 52.11 C ATOM 337 CG GLN A 21 -33.043 -25.735 1.021 1.00 73.03 C ATOM 338 CD GLN A 21 -34.120 -24.668 0.970 1.00 2.14 C ATOM 339 OE1 GLN A 21 -35.291 -24.962 0.729 1.00 63.25 O ATOM 340 NE2 GLN A 21 -33.727 -23.420 1.198 1.00 31.13 N ATOM 0 H GLN A 21 -31.507 -27.003 -0.698 1.00 13.32 H new ATOM 0 HA GLN A 21 -33.996 -28.426 -0.964 1.00 75.01 H new ATOM 0 HB2 GLN A 21 -34.599 -27.204 1.055 1.00 52.11 H new ATOM 0 HB3 GLN A 21 -32.985 -27.865 1.221 1.00 52.11 H new ATOM 0 HG2 GLN A 21 -32.598 -25.750 2.016 1.00 73.03 H new ATOM 0 HG3 GLN A 21 -32.248 -25.478 0.320 1.00 73.03 H new ATOM 0 HE21 GLN A 21 -32.746 -23.222 1.394 1.00 31.13 H new ATOM 0 HE22 GLN A 21 -34.406 -22.660 1.177 1.00 31.13 H new ATOM 349 N SER A 22 -33.734 -25.319 -1.966 1.00 30.05 N ATOM 350 CA SER A 22 -34.408 -24.257 -2.702 1.00 2.42 C ATOM 351 C SER A 22 -33.765 -24.052 -4.071 1.00 15.05 C ATOM 352 O SER A 22 -32.554 -23.862 -4.177 1.00 1.12 O ATOM 353 CB SER A 22 -34.369 -22.951 -1.906 1.00 51.31 C ATOM 354 OG SER A 22 -35.442 -22.883 -0.983 1.00 2.33 O ATOM 0 H SER A 22 -32.745 -25.146 -1.787 1.00 30.05 H new ATOM 0 HA SER A 22 -35.447 -24.553 -2.849 1.00 2.42 H new ATOM 0 HB2 SER A 22 -33.421 -22.875 -1.373 1.00 51.31 H new ATOM 0 HB3 SER A 22 -34.419 -22.103 -2.590 1.00 51.31 H new ATOM 0 HG SER A 22 -35.616 -23.775 -0.617 1.00 2.33 H new ATOM 360 N GLY A 23 -34.586 -24.090 -5.115 1.00 3.12 N ATOM 361 CA GLY A 23 -34.080 -23.908 -6.464 1.00 14.13 C ATOM 362 C GLY A 23 -33.919 -25.220 -7.205 1.00 12.42 C ATOM 363 O GLY A 23 -34.324 -25.341 -8.362 1.00 34.54 O ATOM 0 H GLY A 23 -35.592 -24.243 -5.052 1.00 3.12 H new ATOM 0 HA2 GLY A 23 -34.760 -23.262 -7.019 1.00 14.13 H new ATOM 0 HA3 GLY A 23 -33.118 -23.398 -6.422 1.00 14.13 H new ATOM 367 N HIS A 24 -33.324 -26.205 -6.540 1.00 75.41 N ATOM 368 CA HIS A 24 -33.111 -27.515 -7.144 1.00 45.40 C ATOM 369 C HIS A 24 -32.413 -27.383 -8.494 1.00 23.22 C ATOM 370 O HIS A 24 -32.693 -28.138 -9.425 1.00 5.22 O ATOM 371 CB HIS A 24 -34.443 -28.246 -7.315 1.00 22.23 C ATOM 372 CG HIS A 24 -35.311 -28.200 -6.095 1.00 23.00 C ATOM 373 ND1 HIS A 24 -34.907 -28.675 -4.865 1.00 73.23 N ATOM 374 CD2 HIS A 24 -36.569 -27.731 -5.921 1.00 2.44 C ATOM 375 CE1 HIS A 24 -35.879 -28.502 -3.988 1.00 11.41 C ATOM 376 NE2 HIS A 24 -36.898 -27.930 -4.603 1.00 72.13 N ATOM 0 H HIS A 24 -32.981 -26.121 -5.583 1.00 75.41 H new ATOM 0 HA HIS A 24 -32.471 -28.094 -6.478 1.00 45.40 H new ATOM 0 HB2 HIS A 24 -34.984 -27.807 -8.153 1.00 22.23 H new ATOM 0 HB3 HIS A 24 -34.247 -29.287 -7.572 1.00 22.23 H new ATOM 0 HD1 HIS A 24 -33.999 -29.094 -4.664 1.00 73.23 H new ATOM 0 HD2 HIS A 24 -37.197 -27.284 -6.678 1.00 2.44 H new ATOM 0 HE1 HIS A 24 -35.846 -28.781 -2.945 1.00 11.41 H new ATOM 384 N SER A 25 -31.504 -26.418 -8.594 1.00 33.24 N ATOM 385 CA SER A 25 -30.770 -26.183 -9.832 1.00 22.44 C ATOM 386 C SER A 25 -31.728 -25.957 -10.997 1.00 60.02 C ATOM 387 O SER A 25 -31.530 -26.486 -12.092 1.00 14.33 O ATOM 388 CB SER A 25 -29.850 -27.368 -10.135 1.00 50.12 C ATOM 389 OG SER A 25 -29.219 -27.839 -8.957 1.00 70.22 O ATOM 0 H SER A 25 -31.258 -25.786 -7.832 1.00 33.24 H new ATOM 0 HA SER A 25 -30.165 -25.285 -9.703 1.00 22.44 H new ATOM 0 HB2 SER A 25 -30.427 -28.174 -10.589 1.00 50.12 H new ATOM 0 HB3 SER A 25 -29.094 -27.069 -10.861 1.00 50.12 H new ATOM 0 HG SER A 25 -28.638 -28.597 -9.178 1.00 70.22 H new ATOM 395 N LYS A 26 -32.769 -25.168 -10.754 1.00 10.02 N ATOM 396 CA LYS A 26 -33.759 -24.868 -11.782 1.00 21.13 C ATOM 397 C LYS A 26 -33.163 -23.982 -12.871 1.00 0.15 C ATOM 398 O LYS A 26 -33.096 -22.761 -12.723 1.00 51.11 O ATOM 399 CB LYS A 26 -34.978 -24.181 -11.161 1.00 30.04 C ATOM 400 CG LYS A 26 -36.053 -23.821 -12.170 1.00 53.34 C ATOM 401 CD LYS A 26 -37.372 -23.497 -11.488 1.00 71.43 C ATOM 402 CE LYS A 26 -38.494 -23.321 -12.500 1.00 3.20 C ATOM 403 NZ LYS A 26 -39.817 -23.153 -11.838 1.00 12.30 N ATOM 0 H LYS A 26 -32.949 -24.724 -9.853 1.00 10.02 H new ATOM 0 HA LYS A 26 -34.071 -25.809 -12.235 1.00 21.13 H new ATOM 0 HB2 LYS A 26 -35.407 -24.837 -10.404 1.00 30.04 H new ATOM 0 HB3 LYS A 26 -34.653 -23.275 -10.650 1.00 30.04 H new ATOM 0 HG2 LYS A 26 -35.727 -22.964 -12.760 1.00 53.34 H new ATOM 0 HG3 LYS A 26 -36.195 -24.650 -12.863 1.00 53.34 H new ATOM 0 HD2 LYS A 26 -37.629 -24.296 -10.793 1.00 71.43 H new ATOM 0 HD3 LYS A 26 -37.265 -22.586 -10.900 1.00 71.43 H new ATOM 0 HE2 LYS A 26 -38.287 -22.451 -13.124 1.00 3.20 H new ATOM 0 HE3 LYS A 26 -38.526 -24.187 -13.161 1.00 3.20 H new ATOM 0 HZ1 LYS A 26 -40.555 -23.036 -12.562 1.00 12.30 H new ATOM 0 HZ2 LYS A 26 -40.026 -23.994 -11.263 1.00 12.30 H new ATOM 0 HZ3 LYS A 26 -39.795 -22.312 -11.227 1.00 12.30 H new ATOM 417 N LEU A 27 -32.731 -24.603 -13.963 1.00 34.12 N ATOM 418 CA LEU A 27 -32.142 -23.870 -15.078 1.00 14.45 C ATOM 419 C LEU A 27 -31.014 -22.961 -14.597 1.00 33.33 C ATOM 420 O LEU A 27 -30.840 -21.851 -15.097 1.00 53.12 O ATOM 421 CB LEU A 27 -33.211 -23.040 -15.790 1.00 51.30 C ATOM 422 CG LEU A 27 -34.491 -23.783 -16.175 1.00 33.15 C ATOM 423 CD1 LEU A 27 -35.645 -22.806 -16.342 1.00 33.32 C ATOM 424 CD2 LEU A 27 -34.279 -24.584 -17.450 1.00 61.34 C ATOM 0 H LEU A 27 -32.778 -25.613 -14.100 1.00 34.12 H new ATOM 0 HA LEU A 27 -31.727 -24.595 -15.778 1.00 14.45 H new ATOM 0 HB2 LEU A 27 -33.480 -22.202 -15.147 1.00 51.30 H new ATOM 0 HB3 LEU A 27 -32.773 -22.619 -16.695 1.00 51.30 H new ATOM 0 HG LEU A 27 -34.742 -24.476 -15.372 1.00 33.15 H new ATOM 0 HD11 LEU A 27 -36.548 -23.352 -16.616 1.00 33.32 H new ATOM 0 HD12 LEU A 27 -35.812 -22.276 -15.404 1.00 33.32 H new ATOM 0 HD13 LEU A 27 -35.403 -22.088 -17.126 1.00 33.32 H new ATOM 0 HD21 LEU A 27 -35.200 -25.106 -17.709 1.00 61.34 H new ATOM 0 HD22 LEU A 27 -34.003 -23.910 -18.261 1.00 61.34 H new ATOM 0 HD23 LEU A 27 -33.481 -25.310 -17.295 1.00 61.34 H new ATOM 436 N LYS A 28 -30.249 -23.443 -13.622 1.00 41.50 N ATOM 437 CA LYS A 28 -29.135 -22.677 -13.075 1.00 61.20 C ATOM 438 C LYS A 28 -28.108 -23.599 -12.427 1.00 23.43 C ATOM 439 O LYS A 28 -28.374 -24.210 -11.392 1.00 21.05 O ATOM 440 CB LYS A 28 -29.643 -21.661 -12.050 1.00 54.50 C ATOM 441 CG LYS A 28 -30.493 -22.277 -10.952 1.00 31.22 C ATOM 442 CD LYS A 28 -31.228 -21.215 -10.152 1.00 4.51 C ATOM 443 CE LYS A 28 -31.454 -21.656 -8.715 1.00 75.21 C ATOM 444 NZ LYS A 28 -32.169 -20.617 -7.922 1.00 73.21 N ATOM 0 H LYS A 28 -30.380 -24.360 -13.195 1.00 41.50 H new ATOM 0 HA LYS A 28 -28.653 -22.146 -13.896 1.00 61.20 H new ATOM 0 HB2 LYS A 28 -28.789 -21.157 -11.597 1.00 54.50 H new ATOM 0 HB3 LYS A 28 -30.227 -20.899 -12.565 1.00 54.50 H new ATOM 0 HG2 LYS A 28 -31.214 -22.966 -11.392 1.00 31.22 H new ATOM 0 HG3 LYS A 28 -29.859 -22.862 -10.285 1.00 31.22 H new ATOM 0 HD2 LYS A 28 -30.655 -20.288 -10.163 1.00 4.51 H new ATOM 0 HD3 LYS A 28 -32.187 -21.002 -10.623 1.00 4.51 H new ATOM 0 HE2 LYS A 28 -32.031 -22.581 -8.705 1.00 75.21 H new ATOM 0 HE3 LYS A 28 -30.494 -21.874 -8.247 1.00 75.21 H new ATOM 0 HZ1 LYS A 28 -32.304 -20.956 -6.948 1.00 73.21 H new ATOM 0 HZ2 LYS A 28 -31.607 -19.742 -7.910 1.00 73.21 H new ATOM 0 HZ3 LYS A 28 -33.096 -20.427 -8.354 1.00 73.21 H new ATOM 458 N ALA A 29 -26.933 -23.695 -13.041 1.00 53.20 N ATOM 459 CA ALA A 29 -25.865 -24.539 -12.522 1.00 13.44 C ATOM 460 C ALA A 29 -24.648 -23.707 -12.131 1.00 61.51 C ATOM 461 O ALA A 29 -23.890 -24.081 -11.236 1.00 34.32 O ATOM 462 CB ALA A 29 -25.479 -25.594 -13.548 1.00 41.13 C ATOM 0 H ALA A 29 -26.697 -23.198 -13.900 1.00 53.20 H new ATOM 0 HA ALA A 29 -26.234 -25.038 -11.626 1.00 13.44 H new ATOM 0 HB1 ALA A 29 -24.680 -26.217 -13.146 1.00 41.13 H new ATOM 0 HB2 ALA A 29 -26.345 -26.216 -13.774 1.00 41.13 H new ATOM 0 HB3 ALA A 29 -25.135 -25.106 -14.460 1.00 41.13 H new ATOM 468 N TRP A 30 -24.466 -22.580 -12.810 1.00 35.10 N ATOM 469 CA TRP A 30 -23.339 -21.696 -12.534 1.00 15.31 C ATOM 470 C TRP A 30 -23.809 -20.410 -11.862 1.00 5.55 C ATOM 471 O TRP A 30 -24.962 -20.007 -12.007 1.00 53.42 O ATOM 472 CB TRP A 30 -22.594 -21.367 -13.828 1.00 23.32 C ATOM 473 CG TRP A 30 -21.688 -22.470 -14.288 1.00 2.52 C ATOM 474 CD1 TRP A 30 -22.062 -23.652 -14.860 1.00 3.45 C ATOM 475 CD2 TRP A 30 -20.258 -22.491 -14.214 1.00 41.05 C ATOM 476 NE1 TRP A 30 -20.950 -24.408 -15.145 1.00 23.23 N ATOM 477 CE2 TRP A 30 -19.831 -23.718 -14.760 1.00 14.34 C ATOM 478 CE3 TRP A 30 -19.297 -21.592 -13.743 1.00 31.51 C ATOM 479 CZ2 TRP A 30 -18.486 -24.066 -14.843 1.00 45.10 C ATOM 480 CZ3 TRP A 30 -17.963 -21.941 -13.826 1.00 0.40 C ATOM 481 CH2 TRP A 30 -17.566 -23.168 -14.373 1.00 72.33 C ATOM 0 H TRP A 30 -25.083 -22.257 -13.555 1.00 35.10 H new ATOM 0 HA TRP A 30 -22.661 -22.213 -11.854 1.00 15.31 H new ATOM 0 HB2 TRP A 30 -23.320 -21.152 -14.612 1.00 23.32 H new ATOM 0 HB3 TRP A 30 -22.006 -20.461 -13.680 1.00 23.32 H new ATOM 0 HD1 TRP A 30 -23.081 -23.949 -15.059 1.00 3.45 H new ATOM 0 HE1 TRP A 30 -20.957 -25.333 -15.574 1.00 23.23 H new ATOM 0 HE3 TRP A 30 -19.592 -20.642 -13.322 1.00 31.51 H new ATOM 0 HZ2 TRP A 30 -18.179 -25.012 -15.264 1.00 45.10 H new ATOM 0 HZ3 TRP A 30 -17.212 -21.255 -13.462 1.00 0.40 H new ATOM 0 HH2 TRP A 30 -16.515 -23.410 -14.425 1.00 72.33 H new ATOM 492 N LYS A 31 -22.906 -19.769 -11.127 1.00 12.42 N ATOM 493 CA LYS A 31 -23.227 -18.527 -10.433 1.00 33.12 C ATOM 494 C LYS A 31 -22.275 -17.410 -10.849 1.00 4.20 C ATOM 495 O LYS A 31 -21.055 -17.589 -10.852 1.00 35.34 O ATOM 496 CB LYS A 31 -23.158 -18.732 -8.918 1.00 33.42 C ATOM 497 CG LYS A 31 -23.463 -17.477 -8.120 1.00 40.41 C ATOM 498 CD LYS A 31 -23.919 -17.810 -6.709 1.00 63.02 C ATOM 499 CE LYS A 31 -25.352 -18.320 -6.694 1.00 20.54 C ATOM 500 NZ LYS A 31 -26.045 -17.988 -5.418 1.00 43.43 N ATOM 0 H LYS A 31 -21.946 -20.089 -10.997 1.00 12.42 H new ATOM 0 HA LYS A 31 -24.241 -18.238 -10.708 1.00 33.12 H new ATOM 0 HB2 LYS A 31 -23.862 -19.514 -8.633 1.00 33.42 H new ATOM 0 HB3 LYS A 31 -22.162 -19.088 -8.653 1.00 33.42 H new ATOM 0 HG2 LYS A 31 -22.574 -16.847 -8.077 1.00 40.41 H new ATOM 0 HG3 LYS A 31 -24.237 -16.901 -8.627 1.00 40.41 H new ATOM 0 HD2 LYS A 31 -23.259 -18.564 -6.280 1.00 63.02 H new ATOM 0 HD3 LYS A 31 -23.841 -16.923 -6.081 1.00 63.02 H new ATOM 0 HE2 LYS A 31 -25.901 -17.885 -7.529 1.00 20.54 H new ATOM 0 HE3 LYS A 31 -25.355 -19.400 -6.838 1.00 20.54 H new ATOM 0 HZ1 LYS A 31 -27.019 -18.352 -5.447 1.00 43.43 H new ATOM 0 HZ2 LYS A 31 -25.536 -18.424 -4.623 1.00 43.43 H new ATOM 0 HZ3 LYS A 31 -26.065 -16.956 -5.292 1.00 43.43 H new ATOM 514 N LEU A 32 -22.837 -16.259 -11.198 1.00 72.55 N ATOM 515 CA LEU A 32 -22.038 -15.112 -11.614 1.00 4.40 C ATOM 516 C LEU A 32 -22.348 -13.891 -10.755 1.00 53.33 C ATOM 517 O LEU A 32 -23.495 -13.451 -10.676 1.00 63.31 O ATOM 518 CB LEU A 32 -22.297 -14.791 -13.088 1.00 23.43 C ATOM 519 CG LEU A 32 -21.643 -13.517 -13.623 1.00 32.02 C ATOM 520 CD1 LEU A 32 -22.497 -12.302 -13.295 1.00 63.34 C ATOM 521 CD2 LEU A 32 -20.241 -13.356 -13.053 1.00 75.53 C ATOM 0 H LEU A 32 -23.844 -16.095 -11.201 1.00 72.55 H new ATOM 0 HA LEU A 32 -20.987 -15.368 -11.483 1.00 4.40 H new ATOM 0 HB2 LEU A 32 -21.951 -15.632 -13.688 1.00 23.43 H new ATOM 0 HB3 LEU A 32 -23.374 -14.713 -13.238 1.00 23.43 H new ATOM 0 HG LEU A 32 -21.564 -13.599 -14.707 1.00 32.02 H new ATOM 0 HD11 LEU A 32 -22.016 -11.404 -13.683 1.00 63.34 H new ATOM 0 HD12 LEU A 32 -23.480 -12.414 -13.752 1.00 63.34 H new ATOM 0 HD13 LEU A 32 -22.607 -12.216 -12.214 1.00 63.34 H new ATOM 0 HD21 LEU A 32 -19.791 -12.444 -13.445 1.00 75.53 H new ATOM 0 HD22 LEU A 32 -20.295 -13.296 -11.966 1.00 75.53 H new ATOM 0 HD23 LEU A 32 -19.631 -14.213 -13.339 1.00 75.53 H new ATOM 533 N GLU A 33 -21.319 -13.346 -10.115 1.00 12.32 N ATOM 534 CA GLU A 33 -21.483 -12.174 -9.262 1.00 23.43 C ATOM 535 C GLU A 33 -20.601 -11.025 -9.741 1.00 5.21 C ATOM 536 O GLU A 33 -19.395 -11.008 -9.493 1.00 24.54 O ATOM 537 CB GLU A 33 -21.145 -12.521 -7.811 1.00 14.44 C ATOM 538 CG GLU A 33 -21.039 -11.306 -6.904 1.00 64.52 C ATOM 539 CD GLU A 33 -19.603 -10.956 -6.563 1.00 22.01 C ATOM 540 OE1 GLU A 33 -18.929 -11.782 -5.911 1.00 52.33 O ATOM 541 OE2 GLU A 33 -19.153 -9.857 -6.949 1.00 31.23 O ATOM 0 H GLU A 33 -20.363 -13.697 -10.171 1.00 12.32 H new ATOM 0 HA GLU A 33 -22.524 -11.857 -9.319 1.00 23.43 H new ATOM 0 HB2 GLU A 33 -21.910 -13.191 -7.419 1.00 14.44 H new ATOM 0 HB3 GLU A 33 -20.201 -13.066 -7.787 1.00 14.44 H new ATOM 0 HG2 GLU A 33 -21.512 -10.452 -7.390 1.00 64.52 H new ATOM 0 HG3 GLU A 33 -21.591 -11.495 -5.984 1.00 64.52 H new ATOM 548 N PHE A 34 -21.210 -10.066 -10.429 1.00 34.12 N ATOM 549 CA PHE A 34 -20.481 -8.913 -10.945 1.00 13.32 C ATOM 550 C PHE A 34 -20.297 -7.855 -9.860 1.00 73.51 C ATOM 551 O PHE A 34 -21.150 -7.693 -8.987 1.00 61.13 O ATOM 552 CB PHE A 34 -21.218 -8.309 -12.141 1.00 72.23 C ATOM 553 CG PHE A 34 -20.639 -8.712 -13.467 1.00 44.34 C ATOM 554 CD1 PHE A 34 -19.368 -8.301 -13.836 1.00 24.33 C ATOM 555 CD2 PHE A 34 -21.365 -9.501 -14.345 1.00 51.44 C ATOM 556 CE1 PHE A 34 -18.833 -8.669 -15.056 1.00 1.24 C ATOM 557 CE2 PHE A 34 -20.835 -9.872 -15.567 1.00 13.55 C ATOM 558 CZ PHE A 34 -19.566 -9.456 -15.922 1.00 70.30 C ATOM 0 H PHE A 34 -22.207 -10.064 -10.643 1.00 34.12 H new ATOM 0 HA PHE A 34 -19.497 -9.253 -11.268 1.00 13.32 H new ATOM 0 HB2 PHE A 34 -22.265 -8.611 -12.103 1.00 72.23 H new ATOM 0 HB3 PHE A 34 -21.197 -7.222 -12.060 1.00 72.23 H new ATOM 0 HD1 PHE A 34 -18.789 -7.686 -13.163 1.00 24.33 H new ATOM 0 HD2 PHE A 34 -22.357 -9.830 -14.071 1.00 51.44 H new ATOM 0 HE1 PHE A 34 -17.842 -8.341 -15.332 1.00 1.24 H new ATOM 0 HE2 PHE A 34 -21.412 -10.486 -16.243 1.00 13.55 H new ATOM 0 HZ PHE A 34 -19.148 -9.746 -16.875 1.00 70.30 H new ATOM 568 N GLU A 35 -19.179 -7.140 -9.922 1.00 53.15 N ATOM 569 CA GLU A 35 -18.884 -6.099 -8.945 1.00 73.20 C ATOM 570 C GLU A 35 -19.799 -4.893 -9.140 1.00 2.24 C ATOM 571 O GLU A 35 -20.384 -4.692 -10.204 1.00 50.12 O ATOM 572 CB GLU A 35 -17.421 -5.665 -9.054 1.00 64.41 C ATOM 573 CG GLU A 35 -16.485 -6.447 -8.146 1.00 50.33 C ATOM 574 CD GLU A 35 -15.457 -5.561 -7.469 1.00 10.10 C ATOM 575 OE1 GLU A 35 -14.649 -4.934 -8.188 1.00 35.12 O ATOM 576 OE2 GLU A 35 -15.458 -5.496 -6.222 1.00 61.41 O ATOM 0 H GLU A 35 -18.463 -7.262 -10.638 1.00 53.15 H new ATOM 0 HA GLU A 35 -19.061 -6.510 -7.951 1.00 73.20 H new ATOM 0 HB2 GLU A 35 -17.092 -5.781 -10.087 1.00 64.41 H new ATOM 0 HB3 GLU A 35 -17.346 -4.605 -8.812 1.00 64.41 H new ATOM 0 HG2 GLU A 35 -17.070 -6.965 -7.386 1.00 50.33 H new ATOM 0 HG3 GLU A 35 -15.973 -7.212 -8.730 1.00 50.33 H new ATOM 583 N PRO A 36 -19.926 -4.071 -8.088 1.00 33.31 N ATOM 584 CA PRO A 36 -20.768 -2.871 -8.119 1.00 30.21 C ATOM 585 C PRO A 36 -20.195 -1.784 -9.024 1.00 35.25 C ATOM 586 O PRO A 36 -18.981 -1.606 -9.102 1.00 1.21 O ATOM 587 CB PRO A 36 -20.773 -2.405 -6.660 1.00 53.44 C ATOM 588 CG PRO A 36 -19.509 -2.943 -6.086 1.00 34.24 C ATOM 589 CD PRO A 36 -19.258 -4.249 -6.788 1.00 60.23 C ATOM 0 HA PRO A 36 -21.761 -3.079 -8.518 1.00 30.21 H new ATOM 0 HB2 PRO A 36 -20.807 -1.318 -6.592 1.00 53.44 H new ATOM 0 HB3 PRO A 36 -21.644 -2.785 -6.126 1.00 53.44 H new ATOM 0 HG2 PRO A 36 -18.683 -2.250 -6.244 1.00 34.24 H new ATOM 0 HG3 PRO A 36 -19.601 -3.090 -5.010 1.00 34.24 H new ATOM 0 HD2 PRO A 36 -18.192 -4.443 -6.907 1.00 60.23 H new ATOM 0 HD3 PRO A 36 -19.675 -5.090 -6.234 1.00 60.23 H new ATOM 597 N SER A 37 -21.079 -1.061 -9.704 1.00 33.33 N ATOM 598 CA SER A 37 -20.662 0.006 -10.606 1.00 30.45 C ATOM 599 C SER A 37 -21.360 1.316 -10.256 1.00 72.41 C ATOM 600 O SER A 37 -20.744 2.236 -9.717 1.00 73.30 O ATOM 601 CB SER A 37 -20.964 -0.377 -12.056 1.00 40.41 C ATOM 602 OG SER A 37 -19.964 -1.235 -12.576 1.00 22.22 O ATOM 0 H SER A 37 -22.089 -1.195 -9.647 1.00 33.33 H new ATOM 0 HA SER A 37 -19.587 0.147 -10.492 1.00 30.45 H new ATOM 0 HB2 SER A 37 -21.935 -0.870 -12.111 1.00 40.41 H new ATOM 0 HB3 SER A 37 -21.029 0.523 -12.667 1.00 40.41 H new ATOM 0 HG SER A 37 -20.181 -1.466 -13.503 1.00 22.22 H new ATOM 608 N CYS A 38 -22.649 1.393 -10.568 1.00 74.40 N ATOM 609 CA CYS A 38 -23.433 2.591 -10.289 1.00 1.33 C ATOM 610 C CYS A 38 -24.854 2.226 -9.872 1.00 51.53 C ATOM 611 O CYS A 38 -25.308 1.103 -10.091 1.00 30.43 O ATOM 612 CB CYS A 38 -23.467 3.501 -11.518 1.00 10.54 C ATOM 613 SG CYS A 38 -21.845 4.124 -12.020 1.00 73.44 S ATOM 0 H CYS A 38 -23.173 0.640 -11.014 1.00 74.40 H new ATOM 0 HA CYS A 38 -22.957 3.123 -9.465 1.00 1.33 H new ATOM 0 HB2 CYS A 38 -23.907 2.953 -12.351 1.00 10.54 H new ATOM 0 HB3 CYS A 38 -24.122 4.348 -11.312 1.00 10.54 H new ATOM 0 HG CYS A 38 -20.947 3.736 -11.164 1.00 73.44 H new ATOM 619 N THR A 39 -25.552 3.182 -9.267 1.00 50.34 N ATOM 620 CA THR A 39 -26.920 2.962 -8.816 1.00 62.04 C ATOM 621 C THR A 39 -27.825 2.568 -9.978 1.00 70.22 C ATOM 622 O THR A 39 -27.717 3.118 -11.074 1.00 61.20 O ATOM 623 CB THR A 39 -27.497 4.217 -8.135 1.00 14.24 C ATOM 624 OG1 THR A 39 -28.833 3.962 -7.690 1.00 74.12 O ATOM 625 CG2 THR A 39 -27.492 5.402 -9.089 1.00 23.12 C ATOM 0 H THR A 39 -25.191 4.117 -9.078 1.00 50.34 H new ATOM 0 HA THR A 39 -26.886 2.148 -8.092 1.00 62.04 H new ATOM 0 HB THR A 39 -26.869 4.459 -7.278 1.00 14.24 H new ATOM 0 HG1 THR A 39 -29.192 4.764 -7.257 1.00 74.12 H new ATOM 0 HG21 THR A 39 -27.904 6.276 -8.585 1.00 23.12 H new ATOM 0 HG22 THR A 39 -26.470 5.612 -9.403 1.00 23.12 H new ATOM 0 HG23 THR A 39 -28.099 5.168 -9.964 1.00 23.12 H new ATOM 633 N GLN A 40 -28.716 1.613 -9.732 1.00 34.22 N ATOM 634 CA GLN A 40 -29.639 1.145 -10.758 1.00 52.53 C ATOM 635 C GLN A 40 -31.087 1.327 -10.313 1.00 1.54 C ATOM 636 O GLN A 40 -31.443 1.005 -9.180 1.00 14.12 O ATOM 637 CB GLN A 40 -29.374 -0.326 -11.082 1.00 74.23 C ATOM 638 CG GLN A 40 -30.096 -0.814 -12.327 1.00 64.10 C ATOM 639 CD GLN A 40 -29.608 -2.174 -12.788 1.00 51.44 C ATOM 640 OE1 GLN A 40 -28.406 -2.439 -12.814 1.00 30.00 O ATOM 641 NE2 GLN A 40 -30.541 -3.045 -13.155 1.00 53.03 N ATOM 0 H GLN A 40 -28.818 1.148 -8.830 1.00 34.22 H new ATOM 0 HA GLN A 40 -29.476 1.742 -11.655 1.00 52.53 H new ATOM 0 HB2 GLN A 40 -28.302 -0.473 -11.213 1.00 74.23 H new ATOM 0 HB3 GLN A 40 -29.679 -0.937 -10.232 1.00 74.23 H new ATOM 0 HG2 GLN A 40 -31.166 -0.865 -12.126 1.00 64.10 H new ATOM 0 HG3 GLN A 40 -29.957 -0.091 -13.130 1.00 64.10 H new ATOM 0 HE21 GLN A 40 -31.526 -2.783 -13.118 1.00 53.03 H new ATOM 0 HE22 GLN A 40 -30.272 -3.976 -13.474 1.00 53.03 H new ATOM 650 N TYR A 41 -31.916 1.847 -11.211 1.00 24.20 N ATOM 651 CA TYR A 41 -33.324 2.075 -10.910 1.00 34.43 C ATOM 652 C TYR A 41 -34.126 0.782 -11.043 1.00 54.54 C ATOM 653 O TYR A 41 -34.889 0.606 -11.993 1.00 63.33 O ATOM 654 CB TYR A 41 -33.901 3.144 -11.839 1.00 4.03 C ATOM 655 CG TYR A 41 -35.157 3.795 -11.308 1.00 52.22 C ATOM 656 CD1 TYR A 41 -35.109 4.658 -10.220 1.00 14.40 C ATOM 657 CD2 TYR A 41 -36.392 3.548 -11.894 1.00 32.12 C ATOM 658 CE1 TYR A 41 -36.255 5.255 -9.731 1.00 42.44 C ATOM 659 CE2 TYR A 41 -37.544 4.141 -11.412 1.00 45.31 C ATOM 660 CZ TYR A 41 -37.470 4.994 -10.331 1.00 4.34 C ATOM 661 OH TYR A 41 -38.613 5.587 -9.847 1.00 52.22 O ATOM 0 H TYR A 41 -31.637 2.119 -12.154 1.00 24.20 H new ATOM 0 HA TYR A 41 -33.397 2.423 -9.879 1.00 34.43 H new ATOM 0 HB2 TYR A 41 -33.147 3.913 -12.007 1.00 4.03 H new ATOM 0 HB3 TYR A 41 -34.117 2.693 -12.807 1.00 4.03 H new ATOM 0 HD1 TYR A 41 -34.160 4.866 -9.749 1.00 14.40 H new ATOM 0 HD2 TYR A 41 -36.453 2.881 -12.741 1.00 32.12 H new ATOM 0 HE1 TYR A 41 -36.200 5.922 -8.884 1.00 42.44 H new ATOM 0 HE2 TYR A 41 -38.496 3.937 -11.879 1.00 45.31 H new ATOM 0 HH TYR A 41 -39.382 5.299 -10.382 1.00 52.22 H new ATOM 671 N THR A 42 -33.947 -0.118 -10.082 1.00 72.20 N ATOM 672 CA THR A 42 -34.652 -1.394 -10.090 1.00 42.34 C ATOM 673 C THR A 42 -36.160 -1.190 -10.001 1.00 52.23 C ATOM 674 O THR A 42 -36.637 -0.333 -9.256 1.00 23.11 O ATOM 675 CB THR A 42 -34.199 -2.294 -8.926 1.00 5.22 C ATOM 676 OG1 THR A 42 -34.573 -1.705 -7.675 1.00 70.25 O ATOM 677 CG2 THR A 42 -32.692 -2.506 -8.961 1.00 51.55 C ATOM 0 H THR A 42 -33.320 0.013 -9.288 1.00 72.20 H new ATOM 0 HA THR A 42 -34.409 -1.882 -11.034 1.00 42.34 H new ATOM 0 HB THR A 42 -34.690 -3.261 -9.032 1.00 5.22 H new ATOM 0 HG1 THR A 42 -34.282 -2.285 -6.940 1.00 70.25 H new ATOM 0 HG21 THR A 42 -32.395 -3.145 -8.129 1.00 51.55 H new ATOM 0 HG22 THR A 42 -32.413 -2.982 -9.901 1.00 51.55 H new ATOM 0 HG23 THR A 42 -32.187 -1.544 -8.877 1.00 51.55 H new ATOM 685 N GLU A 43 -36.906 -1.981 -10.765 1.00 63.41 N ATOM 686 CA GLU A 43 -38.361 -1.886 -10.771 1.00 73.53 C ATOM 687 C GLU A 43 -38.989 -3.184 -11.271 1.00 73.41 C ATOM 688 O GLU A 43 -39.580 -3.242 -12.350 1.00 34.24 O ATOM 689 CB GLU A 43 -38.815 -0.717 -11.648 1.00 4.40 C ATOM 690 CG GLU A 43 -40.170 -0.152 -11.258 1.00 24.24 C ATOM 691 CD GLU A 43 -40.126 0.622 -9.954 1.00 25.34 C ATOM 692 OE1 GLU A 43 -39.034 1.102 -9.587 1.00 3.43 O ATOM 693 OE2 GLU A 43 -41.184 0.747 -9.303 1.00 10.42 O ATOM 0 H GLU A 43 -36.527 -2.695 -11.388 1.00 63.41 H new ATOM 0 HA GLU A 43 -38.692 -1.713 -9.747 1.00 73.53 H new ATOM 0 HB2 GLU A 43 -38.071 0.077 -11.593 1.00 4.40 H new ATOM 0 HB3 GLU A 43 -38.854 -1.047 -12.686 1.00 4.40 H new ATOM 0 HG2 GLU A 43 -40.529 0.502 -12.053 1.00 24.24 H new ATOM 0 HG3 GLU A 43 -40.887 -0.968 -11.168 1.00 24.24 H new ATOM 700 N PRO A 44 -38.860 -4.251 -10.468 1.00 55.44 N ATOM 701 CA PRO A 44 -39.408 -5.567 -10.807 1.00 20.51 C ATOM 702 C PRO A 44 -40.932 -5.592 -10.756 1.00 52.22 C ATOM 703 O PRO A 44 -41.553 -4.802 -10.043 1.00 25.03 O ATOM 704 CB PRO A 44 -38.823 -6.484 -9.729 1.00 52.51 C ATOM 705 CG PRO A 44 -38.548 -5.583 -8.574 1.00 54.44 C ATOM 706 CD PRO A 44 -38.169 -4.253 -9.167 1.00 61.42 C ATOM 0 HA PRO A 44 -39.153 -5.864 -11.824 1.00 20.51 H new ATOM 0 HB2 PRO A 44 -39.524 -7.273 -9.457 1.00 52.51 H new ATOM 0 HB3 PRO A 44 -37.912 -6.972 -10.076 1.00 52.51 H new ATOM 0 HG2 PRO A 44 -39.426 -5.489 -7.935 1.00 54.44 H new ATOM 0 HG3 PRO A 44 -37.743 -5.978 -7.954 1.00 54.44 H new ATOM 0 HD2 PRO A 44 -38.495 -3.425 -8.538 1.00 61.42 H new ATOM 0 HD3 PRO A 44 -37.090 -4.158 -9.285 1.00 61.42 H new ATOM 714 N LEU A 45 -41.530 -6.502 -11.516 1.00 71.35 N ATOM 715 CA LEU A 45 -42.983 -6.629 -11.558 1.00 31.31 C ATOM 716 C LEU A 45 -43.548 -6.868 -10.161 1.00 74.53 C ATOM 717 O LEU A 45 -44.430 -6.142 -9.705 1.00 52.02 O ATOM 718 CB LEU A 45 -43.388 -7.775 -12.487 1.00 45.45 C ATOM 719 CG LEU A 45 -44.887 -8.055 -12.594 1.00 13.44 C ATOM 720 CD1 LEU A 45 -45.553 -7.054 -13.526 1.00 5.52 C ATOM 721 CD2 LEU A 45 -45.131 -9.478 -13.074 1.00 63.11 C ATOM 0 H LEU A 45 -41.032 -7.163 -12.112 1.00 71.35 H new ATOM 0 HA LEU A 45 -43.394 -5.696 -11.942 1.00 31.31 H new ATOM 0 HB2 LEU A 45 -43.007 -7.559 -13.485 1.00 45.45 H new ATOM 0 HB3 LEU A 45 -42.892 -8.684 -12.147 1.00 45.45 H new ATOM 0 HG LEU A 45 -45.328 -7.946 -11.603 1.00 13.44 H new ATOM 0 HD11 LEU A 45 -46.620 -7.270 -13.589 1.00 5.52 H new ATOM 0 HD12 LEU A 45 -45.409 -6.045 -13.139 1.00 5.52 H new ATOM 0 HD13 LEU A 45 -45.108 -7.129 -14.518 1.00 5.52 H new ATOM 0 HD21 LEU A 45 -46.203 -9.659 -13.144 1.00 63.11 H new ATOM 0 HD22 LEU A 45 -44.675 -9.614 -14.055 1.00 63.11 H new ATOM 0 HD23 LEU A 45 -44.690 -10.181 -12.368 1.00 63.11 H new ATOM 733 N MET A 46 -43.033 -7.891 -9.487 1.00 41.12 N ATOM 734 CA MET A 46 -43.486 -8.224 -8.141 1.00 5.42 C ATOM 735 C MET A 46 -43.126 -7.115 -7.157 1.00 53.41 C ATOM 736 O MET A 46 -41.962 -6.733 -7.035 1.00 21.32 O ATOM 737 CB MET A 46 -42.866 -9.546 -7.684 1.00 63.40 C ATOM 738 CG MET A 46 -43.550 -10.149 -6.468 1.00 63.32 C ATOM 739 SD MET A 46 -45.046 -11.061 -6.894 1.00 14.32 S ATOM 740 CE MET A 46 -45.845 -11.166 -5.294 1.00 15.35 C ATOM 0 H MET A 46 -42.302 -8.503 -9.850 1.00 41.12 H new ATOM 0 HA MET A 46 -44.571 -8.328 -8.165 1.00 5.42 H new ATOM 0 HB2 MET A 46 -42.908 -10.261 -8.506 1.00 63.40 H new ATOM 0 HB3 MET A 46 -41.813 -9.384 -7.455 1.00 63.40 H new ATOM 0 HG2 MET A 46 -42.855 -10.816 -5.959 1.00 63.32 H new ATOM 0 HG3 MET A 46 -43.801 -9.354 -5.766 1.00 63.32 H new ATOM 0 HE1 MET A 46 -46.787 -11.705 -5.393 1.00 15.35 H new ATOM 0 HE2 MET A 46 -45.195 -11.695 -4.597 1.00 15.35 H new ATOM 0 HE3 MET A 46 -46.039 -10.162 -4.918 1.00 15.35 H new ATOM 750 N ASN A 47 -44.133 -6.600 -6.459 1.00 3.02 N ATOM 751 CA ASN A 47 -43.923 -5.533 -5.487 1.00 22.21 C ATOM 752 C ASN A 47 -43.274 -6.074 -4.216 1.00 62.41 C ATOM 753 O ASN A 47 -43.858 -6.899 -3.513 1.00 64.13 O ATOM 754 CB ASN A 47 -45.252 -4.856 -5.146 1.00 0.32 C ATOM 755 CG ASN A 47 -45.713 -3.906 -6.236 1.00 23.24 C ATOM 756 OD1 ASN A 47 -45.241 -2.773 -6.328 1.00 11.24 O ATOM 757 ND2 ASN A 47 -46.639 -4.367 -7.067 1.00 74.22 N ATOM 0 H ASN A 47 -45.102 -6.904 -6.548 1.00 3.02 H new ATOM 0 HA ASN A 47 -43.252 -4.798 -5.932 1.00 22.21 H new ATOM 0 HB2 ASN A 47 -46.014 -5.618 -4.986 1.00 0.32 H new ATOM 0 HB3 ASN A 47 -45.148 -4.308 -4.210 1.00 0.32 H new ATOM 0 HD21 ASN A 47 -46.988 -3.775 -7.820 1.00 74.22 H new ATOM 0 HD22 ASN A 47 -47.001 -5.314 -6.952 1.00 74.22 H new ATOM 764 N TRP A 48 -42.066 -5.605 -3.930 1.00 33.12 N ATOM 765 CA TRP A 48 -41.338 -6.043 -2.743 1.00 51.21 C ATOM 766 C TRP A 48 -41.542 -5.067 -1.589 1.00 61.44 C ATOM 767 O TRP A 48 -42.143 -4.004 -1.759 1.00 24.25 O ATOM 768 CB TRP A 48 -39.847 -6.178 -3.055 1.00 1.02 C ATOM 769 CG TRP A 48 -39.485 -7.499 -3.664 1.00 44.31 C ATOM 770 CD1 TRP A 48 -40.283 -8.290 -4.440 1.00 32.25 C ATOM 771 CD2 TRP A 48 -38.232 -8.182 -3.546 1.00 73.41 C ATOM 772 NE1 TRP A 48 -39.602 -9.424 -4.811 1.00 32.34 N ATOM 773 CE2 TRP A 48 -38.342 -9.382 -4.277 1.00 13.43 C ATOM 774 CE3 TRP A 48 -37.029 -7.896 -2.897 1.00 23.21 C ATOM 775 CZ2 TRP A 48 -37.293 -10.292 -4.372 1.00 31.42 C ATOM 776 CZ3 TRP A 48 -35.989 -8.802 -2.992 1.00 64.14 C ATOM 777 CH2 TRP A 48 -36.127 -9.988 -3.726 1.00 3.23 C ATOM 0 H TRP A 48 -41.569 -4.922 -4.502 1.00 33.12 H new ATOM 0 HA TRP A 48 -41.729 -7.016 -2.445 1.00 51.21 H new ATOM 0 HB2 TRP A 48 -39.552 -5.379 -3.735 1.00 1.02 H new ATOM 0 HB3 TRP A 48 -39.277 -6.041 -2.136 1.00 1.02 H new ATOM 0 HD1 TRP A 48 -41.300 -8.058 -4.721 1.00 32.25 H new ATOM 0 HE1 TRP A 48 -39.975 -10.176 -5.391 1.00 32.34 H new ATOM 0 HE3 TRP A 48 -36.913 -6.983 -2.331 1.00 23.21 H new ATOM 0 HZ2 TRP A 48 -37.397 -11.207 -4.937 1.00 31.42 H new ATOM 0 HZ3 TRP A 48 -35.055 -8.592 -2.492 1.00 64.14 H new ATOM 0 HH2 TRP A 48 -35.296 -10.675 -3.782 1.00 3.23 H new ATOM 788 N THR A 49 -41.041 -5.433 -0.414 1.00 64.12 N ATOM 789 CA THR A 49 -41.169 -4.591 0.768 1.00 72.12 C ATOM 790 C THR A 49 -40.014 -3.601 0.866 1.00 3.34 C ATOM 791 O THR A 49 -38.857 -3.958 0.647 1.00 35.23 O ATOM 792 CB THR A 49 -41.218 -5.433 2.057 1.00 64.32 C ATOM 793 OG1 THR A 49 -40.131 -6.366 2.073 1.00 3.44 O ATOM 794 CG2 THR A 49 -42.537 -6.184 2.162 1.00 11.34 C ATOM 0 H THR A 49 -40.542 -6.308 -0.256 1.00 64.12 H new ATOM 0 HA THR A 49 -42.106 -4.044 0.665 1.00 72.12 H new ATOM 0 HB THR A 49 -41.132 -4.759 2.909 1.00 64.32 H new ATOM 0 HG1 THR A 49 -40.167 -6.897 2.896 1.00 3.44 H new ATOM 0 HG21 THR A 49 -42.549 -6.772 3.080 1.00 11.34 H new ATOM 0 HG22 THR A 49 -43.361 -5.471 2.177 1.00 11.34 H new ATOM 0 HG23 THR A 49 -42.647 -6.848 1.305 1.00 11.34 H new ATOM 802 N GLY A 50 -40.336 -2.354 1.197 1.00 44.22 N ATOM 803 CA GLY A 50 -39.313 -1.331 1.318 1.00 13.30 C ATOM 804 C GLY A 50 -38.255 -1.688 2.342 1.00 32.22 C ATOM 805 O GLY A 50 -38.569 -2.195 3.419 1.00 51.12 O ATOM 0 H GLY A 50 -41.286 -2.034 1.383 1.00 44.22 H new ATOM 0 HA2 GLY A 50 -38.839 -1.179 0.348 1.00 13.30 H new ATOM 0 HA3 GLY A 50 -39.780 -0.386 1.596 1.00 13.30 H new ATOM 809 N SER A 51 -36.996 -1.425 2.007 1.00 72.10 N ATOM 810 CA SER A 51 -35.886 -1.727 2.903 1.00 35.45 C ATOM 811 C SER A 51 -34.910 -0.558 2.973 1.00 44.42 C ATOM 812 O SER A 51 -34.542 0.020 1.949 1.00 30.00 O ATOM 813 CB SER A 51 -35.157 -2.989 2.439 1.00 31.42 C ATOM 814 OG SER A 51 -35.039 -3.020 1.027 1.00 22.24 O ATOM 0 H SER A 51 -36.719 -1.003 1.121 1.00 72.10 H new ATOM 0 HA SER A 51 -36.293 -1.897 3.900 1.00 35.45 H new ATOM 0 HB2 SER A 51 -34.166 -3.027 2.891 1.00 31.42 H new ATOM 0 HB3 SER A 51 -35.697 -3.872 2.781 1.00 31.42 H new ATOM 0 HG SER A 51 -34.568 -3.836 0.756 1.00 22.24 H new ATOM 820 N HIS A 52 -34.491 -0.215 4.187 1.00 55.42 N ATOM 821 CA HIS A 52 -33.556 0.886 4.391 1.00 63.11 C ATOM 822 C HIS A 52 -32.115 0.387 4.362 1.00 22.33 C ATOM 823 O HIS A 52 -31.280 0.912 3.625 1.00 32.34 O ATOM 824 CB HIS A 52 -33.840 1.585 5.721 1.00 72.21 C ATOM 825 CG HIS A 52 -33.399 3.015 5.752 1.00 55.45 C ATOM 826 ND1 HIS A 52 -33.906 3.978 4.905 1.00 61.13 N ATOM 827 CD2 HIS A 52 -32.495 3.647 6.536 1.00 23.13 C ATOM 828 CE1 HIS A 52 -33.332 5.138 5.165 1.00 4.40 C ATOM 829 NE2 HIS A 52 -32.471 4.964 6.151 1.00 3.45 N ATOM 0 H HIS A 52 -34.784 -0.684 5.044 1.00 55.42 H new ATOM 0 HA HIS A 52 -33.691 1.600 3.579 1.00 63.11 H new ATOM 0 HB2 HIS A 52 -34.910 1.539 5.925 1.00 72.21 H new ATOM 0 HB3 HIS A 52 -33.339 1.041 6.522 1.00 72.21 H new ATOM 0 HD2 HIS A 52 -31.902 3.198 7.319 1.00 23.13 H new ATOM 0 HE1 HIS A 52 -33.532 6.070 4.658 1.00 4.40 H new ATOM 0 HE2 HIS A 52 -31.883 5.691 6.560 1.00 3.45 H new ATOM 837 N ASP A 53 -31.830 -0.630 5.169 1.00 1.23 N ATOM 838 CA ASP A 53 -30.490 -1.201 5.235 1.00 14.24 C ATOM 839 C ASP A 53 -30.303 -2.274 4.169 1.00 61.12 C ATOM 840 O ASP A 53 -30.940 -3.327 4.212 1.00 74.43 O ATOM 841 CB ASP A 53 -30.233 -1.792 6.623 1.00 72.04 C ATOM 842 CG ASP A 53 -30.266 -0.742 7.715 1.00 54.10 C ATOM 843 OD1 ASP A 53 -30.103 0.454 7.393 1.00 31.24 O ATOM 844 OD2 ASP A 53 -30.454 -1.116 8.892 1.00 0.14 O ATOM 0 H ASP A 53 -32.509 -1.075 5.786 1.00 1.23 H new ATOM 0 HA ASP A 53 -29.772 -0.402 5.050 1.00 14.24 H new ATOM 0 HB2 ASP A 53 -30.982 -2.555 6.834 1.00 72.04 H new ATOM 0 HB3 ASP A 53 -29.262 -2.288 6.629 1.00 72.04 H new ATOM 849 N THR A 54 -29.424 -2.001 3.209 1.00 41.01 N ATOM 850 CA THR A 54 -29.154 -2.941 2.129 1.00 73.11 C ATOM 851 C THR A 54 -27.966 -2.487 1.288 1.00 71.34 C ATOM 852 O THR A 54 -27.619 -1.306 1.271 1.00 14.33 O ATOM 853 CB THR A 54 -30.381 -3.112 1.213 1.00 21.53 C ATOM 854 OG1 THR A 54 -30.148 -4.169 0.275 1.00 44.21 O ATOM 855 CG2 THR A 54 -30.684 -1.822 0.467 1.00 1.40 C ATOM 0 H THR A 54 -28.887 -1.135 3.158 1.00 41.01 H new ATOM 0 HA THR A 54 -28.921 -3.898 2.595 1.00 73.11 H new ATOM 0 HB THR A 54 -31.240 -3.362 1.836 1.00 21.53 H new ATOM 0 HG1 THR A 54 -30.933 -4.273 -0.303 1.00 44.21 H new ATOM 0 HG21 THR A 54 -31.554 -1.968 -0.173 1.00 1.40 H new ATOM 0 HG22 THR A 54 -30.890 -1.027 1.184 1.00 1.40 H new ATOM 0 HG23 THR A 54 -29.826 -1.545 -0.145 1.00 1.40 H new ATOM 863 N LYS A 55 -27.346 -3.431 0.590 1.00 64.52 N ATOM 864 CA LYS A 55 -26.198 -3.129 -0.257 1.00 1.55 C ATOM 865 C LYS A 55 -26.639 -2.827 -1.686 1.00 33.34 C ATOM 866 O LYS A 55 -27.832 -2.817 -1.986 1.00 62.13 O ATOM 867 CB LYS A 55 -25.212 -4.299 -0.252 1.00 62.44 C ATOM 868 CG LYS A 55 -24.729 -4.682 1.137 1.00 65.25 C ATOM 869 CD LYS A 55 -24.107 -6.069 1.148 1.00 42.13 C ATOM 870 CE LYS A 55 -24.075 -6.653 2.552 1.00 63.33 C ATOM 871 NZ LYS A 55 -23.231 -5.841 3.472 1.00 64.42 N ATOM 0 H LYS A 55 -27.619 -4.414 0.594 1.00 64.52 H new ATOM 0 HA LYS A 55 -25.704 -2.245 0.146 1.00 1.55 H new ATOM 0 HB2 LYS A 55 -25.686 -5.165 -0.714 1.00 62.44 H new ATOM 0 HB3 LYS A 55 -24.351 -4.040 -0.868 1.00 62.44 H new ATOM 0 HG2 LYS A 55 -23.998 -3.952 1.483 1.00 65.25 H new ATOM 0 HG3 LYS A 55 -25.565 -4.652 1.835 1.00 65.25 H new ATOM 0 HD2 LYS A 55 -24.674 -6.729 0.491 1.00 42.13 H new ATOM 0 HD3 LYS A 55 -23.093 -6.018 0.751 1.00 42.13 H new ATOM 0 HE2 LYS A 55 -25.090 -6.709 2.945 1.00 63.33 H new ATOM 0 HE3 LYS A 55 -23.692 -7.673 2.512 1.00 63.33 H new ATOM 0 HZ1 LYS A 55 -23.208 -6.291 4.409 1.00 64.42 H new ATOM 0 HZ2 LYS A 55 -22.264 -5.780 3.093 1.00 64.42 H new ATOM 0 HZ3 LYS A 55 -23.631 -4.885 3.557 1.00 64.42 H new ATOM 885 N GLN A 56 -25.668 -2.585 -2.561 1.00 71.32 N ATOM 886 CA GLN A 56 -25.958 -2.285 -3.958 1.00 53.44 C ATOM 887 C GLN A 56 -25.308 -3.309 -4.882 1.00 21.34 C ATOM 888 O GLN A 56 -25.028 -3.020 -6.045 1.00 12.44 O ATOM 889 CB GLN A 56 -25.469 -0.879 -4.311 1.00 72.03 C ATOM 890 CG GLN A 56 -26.136 -0.296 -5.547 1.00 2.41 C ATOM 891 CD GLN A 56 -25.321 0.816 -6.179 1.00 43.11 C ATOM 892 OE1 GLN A 56 -24.446 0.565 -7.009 1.00 32.15 O ATOM 893 NE2 GLN A 56 -25.605 2.053 -5.791 1.00 2.51 N ATOM 0 H GLN A 56 -24.675 -2.591 -2.327 1.00 71.32 H new ATOM 0 HA GLN A 56 -27.038 -2.333 -4.097 1.00 53.44 H new ATOM 0 HB2 GLN A 56 -25.650 -0.217 -3.464 1.00 72.03 H new ATOM 0 HB3 GLN A 56 -24.391 -0.907 -4.469 1.00 72.03 H new ATOM 0 HG2 GLN A 56 -26.292 -1.088 -6.279 1.00 2.41 H new ATOM 0 HG3 GLN A 56 -27.120 0.088 -5.278 1.00 2.41 H new ATOM 0 HE21 GLN A 56 -26.338 2.215 -5.101 1.00 2.51 H new ATOM 0 HE22 GLN A 56 -25.090 2.841 -6.183 1.00 2.51 H new ATOM 902 N GLN A 57 -25.070 -4.506 -4.355 1.00 32.10 N ATOM 903 CA GLN A 57 -24.451 -5.573 -5.133 1.00 75.22 C ATOM 904 C GLN A 57 -25.506 -6.538 -5.667 1.00 24.15 C ATOM 905 O GLN A 57 -26.388 -6.979 -4.931 1.00 61.12 O ATOM 906 CB GLN A 57 -23.434 -6.332 -4.278 1.00 42.33 C ATOM 907 CG GLN A 57 -23.077 -7.701 -4.831 1.00 25.41 C ATOM 908 CD GLN A 57 -21.653 -8.108 -4.508 1.00 71.43 C ATOM 909 OE1 GLN A 57 -20.698 -7.533 -5.030 1.00 1.23 O ATOM 910 NE2 GLN A 57 -21.503 -9.105 -3.643 1.00 62.20 N ATOM 0 H GLN A 57 -25.296 -4.761 -3.394 1.00 32.10 H new ATOM 0 HA GLN A 57 -23.936 -5.120 -5.980 1.00 75.22 H new ATOM 0 HB2 GLN A 57 -22.526 -5.735 -4.193 1.00 42.33 H new ATOM 0 HB3 GLN A 57 -23.834 -6.449 -3.271 1.00 42.33 H new ATOM 0 HG2 GLN A 57 -23.764 -8.443 -4.424 1.00 25.41 H new ATOM 0 HG3 GLN A 57 -23.214 -7.699 -5.912 1.00 25.41 H new ATOM 0 HE21 GLN A 57 -22.323 -9.553 -3.234 1.00 62.20 H new ATOM 0 HE22 GLN A 57 -20.568 -9.422 -3.388 1.00 62.20 H new ATOM 919 N VAL A 58 -25.405 -6.863 -6.952 1.00 73.52 N ATOM 920 CA VAL A 58 -26.349 -7.777 -7.585 1.00 33.31 C ATOM 921 C VAL A 58 -25.622 -8.920 -8.283 1.00 64.42 C ATOM 922 O VAL A 58 -24.526 -8.739 -8.815 1.00 22.41 O ATOM 923 CB VAL A 58 -27.238 -7.046 -8.608 1.00 65.13 C ATOM 924 CG1 VAL A 58 -28.338 -7.967 -9.115 1.00 31.35 C ATOM 925 CG2 VAL A 58 -27.826 -5.784 -7.997 1.00 61.44 C ATOM 0 H VAL A 58 -24.680 -6.507 -7.575 1.00 73.52 H new ATOM 0 HA VAL A 58 -26.979 -8.181 -6.793 1.00 33.31 H new ATOM 0 HB VAL A 58 -26.621 -6.756 -9.458 1.00 65.13 H new ATOM 0 HG11 VAL A 58 -28.956 -7.433 -9.837 1.00 31.35 H new ATOM 0 HG12 VAL A 58 -27.891 -8.838 -9.594 1.00 31.35 H new ATOM 0 HG13 VAL A 58 -28.956 -8.291 -8.278 1.00 31.35 H new ATOM 0 HG21 VAL A 58 -28.451 -5.280 -8.734 1.00 61.44 H new ATOM 0 HG22 VAL A 58 -28.429 -6.047 -7.128 1.00 61.44 H new ATOM 0 HG23 VAL A 58 -27.019 -5.118 -7.690 1.00 61.44 H new ATOM 935 N CYS A 59 -26.239 -10.097 -8.279 1.00 74.12 N ATOM 936 CA CYS A 59 -25.651 -11.271 -8.913 1.00 3.11 C ATOM 937 C CYS A 59 -26.727 -12.137 -9.560 1.00 33.14 C ATOM 938 O CYS A 59 -27.890 -12.105 -9.156 1.00 60.42 O ATOM 939 CB CYS A 59 -24.867 -12.091 -7.888 1.00 31.34 C ATOM 940 SG CYS A 59 -25.791 -12.461 -6.378 1.00 21.11 S ATOM 0 H CYS A 59 -27.146 -10.263 -7.844 1.00 74.12 H new ATOM 0 HA CYS A 59 -24.969 -10.929 -9.692 1.00 3.11 H new ATOM 0 HB2 CYS A 59 -24.555 -13.028 -8.350 1.00 31.34 H new ATOM 0 HB3 CYS A 59 -23.959 -11.549 -7.622 1.00 31.34 H new ATOM 0 HG CYS A 59 -25.046 -13.160 -5.574 1.00 21.11 H new ATOM 946 N LEU A 60 -26.332 -12.909 -10.567 1.00 55.13 N ATOM 947 CA LEU A 60 -27.264 -13.783 -11.271 1.00 63.23 C ATOM 948 C LEU A 60 -26.657 -15.166 -11.484 1.00 65.24 C ATOM 949 O LEU A 60 -25.459 -15.367 -11.286 1.00 52.21 O ATOM 950 CB LEU A 60 -27.650 -13.170 -12.618 1.00 2.21 C ATOM 951 CG LEU A 60 -26.545 -13.120 -13.674 1.00 61.44 C ATOM 952 CD1 LEU A 60 -27.118 -13.383 -15.058 1.00 72.11 C ATOM 953 CD2 LEU A 60 -25.832 -11.776 -13.637 1.00 74.23 C ATOM 0 H LEU A 60 -25.374 -12.947 -10.914 1.00 55.13 H new ATOM 0 HA LEU A 60 -28.159 -13.889 -10.658 1.00 63.23 H new ATOM 0 HB2 LEU A 60 -28.488 -13.735 -13.025 1.00 2.21 H new ATOM 0 HB3 LEU A 60 -28.005 -12.154 -12.444 1.00 2.21 H new ATOM 0 HG LEU A 60 -25.818 -13.901 -13.449 1.00 61.44 H new ATOM 0 HD11 LEU A 60 -26.317 -13.344 -15.797 1.00 72.11 H new ATOM 0 HD12 LEU A 60 -27.582 -14.369 -15.078 1.00 72.11 H new ATOM 0 HD13 LEU A 60 -27.866 -12.625 -15.292 1.00 72.11 H new ATOM 0 HD21 LEU A 60 -25.049 -11.759 -14.395 1.00 74.23 H new ATOM 0 HD22 LEU A 60 -26.548 -10.979 -13.836 1.00 74.23 H new ATOM 0 HD23 LEU A 60 -25.388 -11.627 -12.653 1.00 74.23 H new ATOM 965 N SER A 61 -27.492 -16.117 -11.893 1.00 40.20 N ATOM 966 CA SER A 61 -27.039 -17.482 -12.132 1.00 43.54 C ATOM 967 C SER A 61 -27.102 -17.822 -13.618 1.00 22.20 C ATOM 968 O SER A 61 -27.984 -17.353 -14.338 1.00 33.14 O ATOM 969 CB SER A 61 -27.889 -18.471 -11.333 1.00 25.21 C ATOM 970 OG SER A 61 -29.251 -18.401 -11.720 1.00 0.13 O ATOM 0 H SER A 61 -28.486 -15.967 -12.066 1.00 40.20 H new ATOM 0 HA SER A 61 -26.002 -17.558 -11.804 1.00 43.54 H new ATOM 0 HB2 SER A 61 -27.516 -19.483 -11.487 1.00 25.21 H new ATOM 0 HB3 SER A 61 -27.799 -18.256 -10.268 1.00 25.21 H new ATOM 0 HG SER A 61 -29.814 -18.314 -10.922 1.00 0.13 H new ATOM 976 N PHE A 62 -26.159 -18.642 -14.071 1.00 22.52 N ATOM 977 CA PHE A 62 -26.106 -19.046 -15.471 1.00 21.44 C ATOM 978 C PHE A 62 -26.286 -20.555 -15.609 1.00 50.24 C ATOM 979 O PHE A 62 -26.334 -21.280 -14.615 1.00 24.14 O ATOM 980 CB PHE A 62 -24.776 -18.621 -16.096 1.00 45.33 C ATOM 981 CG PHE A 62 -24.783 -17.214 -16.623 1.00 31.23 C ATOM 982 CD1 PHE A 62 -25.658 -16.843 -17.631 1.00 14.40 C ATOM 983 CD2 PHE A 62 -23.915 -16.265 -16.111 1.00 0.41 C ATOM 984 CE1 PHE A 62 -25.668 -15.549 -18.117 1.00 2.21 C ATOM 985 CE2 PHE A 62 -23.920 -14.969 -16.593 1.00 21.24 C ATOM 986 CZ PHE A 62 -24.796 -14.612 -17.599 1.00 54.10 C ATOM 0 H PHE A 62 -25.422 -19.039 -13.489 1.00 22.52 H new ATOM 0 HA PHE A 62 -26.922 -18.551 -15.997 1.00 21.44 H new ATOM 0 HB2 PHE A 62 -23.986 -18.717 -15.351 1.00 45.33 H new ATOM 0 HB3 PHE A 62 -24.531 -19.304 -16.910 1.00 45.33 H new ATOM 0 HD1 PHE A 62 -26.340 -17.573 -18.042 1.00 14.40 H new ATOM 0 HD2 PHE A 62 -23.226 -16.540 -15.326 1.00 0.41 H new ATOM 0 HE1 PHE A 62 -26.357 -15.271 -18.901 1.00 2.21 H new ATOM 0 HE2 PHE A 62 -23.240 -14.237 -16.183 1.00 21.24 H new ATOM 0 HZ PHE A 62 -24.799 -13.601 -17.980 1.00 54.10 H new ATOM 996 N THR A 63 -26.388 -21.022 -16.850 1.00 4.23 N ATOM 997 CA THR A 63 -26.565 -22.444 -17.120 1.00 12.31 C ATOM 998 C THR A 63 -25.243 -23.100 -17.500 1.00 41.42 C ATOM 999 O THR A 63 -24.968 -24.236 -17.115 1.00 1.03 O ATOM 1000 CB THR A 63 -27.586 -22.678 -18.248 1.00 62.22 C ATOM 1001 OG1 THR A 63 -28.513 -21.588 -18.306 1.00 1.14 O ATOM 1002 CG2 THR A 63 -28.340 -23.981 -18.035 1.00 15.24 C ATOM 0 H THR A 63 -26.351 -20.436 -17.684 1.00 4.23 H new ATOM 0 HA THR A 63 -26.940 -22.896 -16.202 1.00 12.31 H new ATOM 0 HB THR A 63 -27.042 -22.742 -19.191 1.00 62.22 H new ATOM 0 HG1 THR A 63 -29.157 -21.745 -19.027 1.00 1.14 H new ATOM 0 HG21 THR A 63 -29.055 -24.124 -18.845 1.00 15.24 H new ATOM 0 HG22 THR A 63 -27.635 -24.812 -18.023 1.00 15.24 H new ATOM 0 HG23 THR A 63 -28.871 -23.943 -17.084 1.00 15.24 H new ATOM 1010 N THR A 64 -24.425 -22.376 -18.260 1.00 73.23 N ATOM 1011 CA THR A 64 -23.131 -22.889 -18.693 1.00 72.44 C ATOM 1012 C THR A 64 -22.047 -21.825 -18.562 1.00 23.52 C ATOM 1013 O THR A 64 -22.324 -20.629 -18.649 1.00 60.24 O ATOM 1014 CB THR A 64 -23.181 -23.377 -20.153 1.00 32.41 C ATOM 1015 OG1 THR A 64 -24.081 -22.562 -20.912 1.00 51.20 O ATOM 1016 CG2 THR A 64 -23.626 -24.831 -20.222 1.00 22.10 C ATOM 0 H THR A 64 -24.636 -21.433 -18.588 1.00 73.23 H new ATOM 0 HA THR A 64 -22.891 -23.731 -18.044 1.00 72.44 H new ATOM 0 HB THR A 64 -22.178 -23.299 -20.573 1.00 32.41 H new ATOM 0 HG1 THR A 64 -24.106 -22.878 -21.839 1.00 51.20 H new ATOM 0 HG21 THR A 64 -23.654 -25.154 -21.263 1.00 22.10 H new ATOM 0 HG22 THR A 64 -22.923 -25.453 -19.668 1.00 22.10 H new ATOM 0 HG23 THR A 64 -24.620 -24.928 -19.785 1.00 22.10 H new ATOM 1024 N ARG A 65 -20.812 -22.269 -18.354 1.00 1.15 N ATOM 1025 CA ARG A 65 -19.686 -21.355 -18.210 1.00 4.23 C ATOM 1026 C ARG A 65 -19.574 -20.435 -19.423 1.00 31.45 C ATOM 1027 O ARG A 65 -19.297 -19.244 -19.286 1.00 42.20 O ATOM 1028 CB ARG A 65 -18.384 -22.139 -18.030 1.00 73.14 C ATOM 1029 CG ARG A 65 -18.213 -23.271 -19.029 1.00 25.12 C ATOM 1030 CD ARG A 65 -16.835 -23.905 -18.920 1.00 61.31 C ATOM 1031 NE ARG A 65 -16.805 -24.986 -17.938 1.00 13.30 N ATOM 1032 CZ ARG A 65 -15.804 -25.853 -17.829 1.00 12.50 C ATOM 1033 NH1 ARG A 65 -14.757 -25.766 -18.637 1.00 42.12 N ATOM 1034 NH2 ARG A 65 -15.850 -26.808 -16.910 1.00 20.42 N ATOM 0 H ARG A 65 -20.566 -23.256 -18.281 1.00 1.15 H new ATOM 0 HA ARG A 65 -19.859 -20.743 -17.325 1.00 4.23 H new ATOM 0 HB2 ARG A 65 -17.541 -21.454 -18.122 1.00 73.14 H new ATOM 0 HB3 ARG A 65 -18.353 -22.549 -17.020 1.00 73.14 H new ATOM 0 HG2 ARG A 65 -18.978 -24.028 -18.857 1.00 25.12 H new ATOM 0 HG3 ARG A 65 -18.361 -22.891 -20.040 1.00 25.12 H new ATOM 0 HD2 ARG A 65 -16.536 -24.292 -19.894 1.00 61.31 H new ATOM 0 HD3 ARG A 65 -16.107 -23.143 -18.643 1.00 61.31 H new ATOM 0 HE ARG A 65 -17.596 -25.080 -17.301 1.00 13.30 H new ATOM 0 HH11 ARG A 65 -14.718 -25.032 -19.344 1.00 42.12 H new ATOM 0 HH12 ARG A 65 -13.990 -26.433 -18.551 1.00 42.12 H new ATOM 0 HH21 ARG A 65 -16.654 -26.877 -16.286 1.00 20.42 H new ATOM 0 HH22 ARG A 65 -15.081 -27.473 -16.827 1.00 20.42 H new ATOM 1048 N GLU A 66 -19.792 -20.997 -20.607 1.00 23.44 N ATOM 1049 CA GLU A 66 -19.714 -20.228 -21.844 1.00 1.44 C ATOM 1050 C GLU A 66 -20.569 -18.966 -21.753 1.00 64.31 C ATOM 1051 O GLU A 66 -20.257 -17.946 -22.369 1.00 13.41 O ATOM 1052 CB GLU A 66 -20.166 -21.080 -23.030 1.00 42.32 C ATOM 1053 CG GLU A 66 -19.317 -22.323 -23.246 1.00 12.33 C ATOM 1054 CD GLU A 66 -19.498 -22.920 -24.627 1.00 64.44 C ATOM 1055 OE1 GLU A 66 -20.597 -22.768 -25.201 1.00 15.35 O ATOM 1056 OE2 GLU A 66 -18.541 -23.540 -25.136 1.00 23.13 O ATOM 0 H GLU A 66 -20.024 -21.982 -20.736 1.00 23.44 H new ATOM 0 HA GLU A 66 -18.676 -19.933 -21.995 1.00 1.44 H new ATOM 0 HB2 GLU A 66 -21.202 -21.380 -22.877 1.00 42.32 H new ATOM 0 HB3 GLU A 66 -20.141 -20.472 -23.934 1.00 42.32 H new ATOM 0 HG2 GLU A 66 -18.267 -22.071 -23.098 1.00 12.33 H new ATOM 0 HG3 GLU A 66 -19.575 -23.070 -22.495 1.00 12.33 H new ATOM 1063 N LEU A 67 -21.649 -19.045 -20.984 1.00 22.53 N ATOM 1064 CA LEU A 67 -22.552 -17.912 -20.813 1.00 4.52 C ATOM 1065 C LEU A 67 -21.997 -16.925 -19.791 1.00 34.32 C ATOM 1066 O LEU A 67 -22.179 -15.714 -19.920 1.00 32.44 O ATOM 1067 CB LEU A 67 -23.935 -18.397 -20.375 1.00 5.34 C ATOM 1068 CG LEU A 67 -24.930 -18.688 -21.498 1.00 15.02 C ATOM 1069 CD1 LEU A 67 -26.051 -19.585 -20.997 1.00 62.45 C ATOM 1070 CD2 LEU A 67 -25.495 -17.391 -22.060 1.00 5.52 C ATOM 0 H LEU A 67 -21.921 -19.882 -20.469 1.00 22.53 H new ATOM 0 HA LEU A 67 -22.642 -17.402 -21.772 1.00 4.52 H new ATOM 0 HB2 LEU A 67 -23.810 -19.304 -19.784 1.00 5.34 H new ATOM 0 HB3 LEU A 67 -24.370 -17.645 -19.717 1.00 5.34 H new ATOM 0 HG LEU A 67 -24.404 -19.209 -22.298 1.00 15.02 H new ATOM 0 HD11 LEU A 67 -26.750 -19.782 -21.810 1.00 62.45 H new ATOM 0 HD12 LEU A 67 -25.632 -20.527 -20.642 1.00 62.45 H new ATOM 0 HD13 LEU A 67 -26.575 -19.090 -20.179 1.00 62.45 H new ATOM 0 HD21 LEU A 67 -26.202 -17.618 -22.858 1.00 5.52 H new ATOM 0 HD22 LEU A 67 -26.006 -16.843 -21.268 1.00 5.52 H new ATOM 0 HD23 LEU A 67 -24.683 -16.782 -22.456 1.00 5.52 H new ATOM 1082 N ALA A 68 -21.319 -17.451 -18.775 1.00 75.25 N ATOM 1083 CA ALA A 68 -20.736 -16.616 -17.733 1.00 1.40 C ATOM 1084 C ALA A 68 -19.581 -15.782 -18.279 1.00 75.31 C ATOM 1085 O ALA A 68 -19.613 -14.552 -18.228 1.00 21.52 O ATOM 1086 CB ALA A 68 -20.264 -17.476 -16.571 1.00 33.33 C ATOM 0 H ALA A 68 -21.161 -18.451 -18.652 1.00 75.25 H new ATOM 0 HA ALA A 68 -21.506 -15.932 -17.376 1.00 1.40 H new ATOM 0 HB1 ALA A 68 -19.831 -16.839 -15.800 1.00 33.33 H new ATOM 0 HB2 ALA A 68 -21.110 -18.024 -16.156 1.00 33.33 H new ATOM 0 HB3 ALA A 68 -19.512 -18.182 -16.923 1.00 33.33 H new ATOM 1092 N ILE A 69 -18.565 -16.460 -18.801 1.00 2.55 N ATOM 1093 CA ILE A 69 -17.401 -15.780 -19.356 1.00 4.42 C ATOM 1094 C ILE A 69 -17.800 -14.844 -20.492 1.00 11.14 C ATOM 1095 O ILE A 69 -17.207 -13.781 -20.671 1.00 42.31 O ATOM 1096 CB ILE A 69 -16.357 -16.787 -19.878 1.00 74.15 C ATOM 1097 CG1 ILE A 69 -15.811 -17.632 -18.726 1.00 61.10 C ATOM 1098 CG2 ILE A 69 -15.228 -16.057 -20.590 1.00 1.13 C ATOM 1099 CD1 ILE A 69 -16.509 -18.965 -18.571 1.00 61.15 C ATOM 0 H ILE A 69 -18.524 -17.478 -18.851 1.00 2.55 H new ATOM 0 HA ILE A 69 -16.960 -15.198 -18.547 1.00 4.42 H new ATOM 0 HB ILE A 69 -16.841 -17.453 -20.593 1.00 74.15 H new ATOM 0 HG12 ILE A 69 -14.747 -17.805 -18.885 1.00 61.10 H new ATOM 0 HG13 ILE A 69 -15.907 -17.070 -17.797 1.00 61.10 H new ATOM 0 HG21 ILE A 69 -14.499 -16.781 -20.953 1.00 1.13 H new ATOM 0 HG22 ILE A 69 -15.632 -15.495 -21.432 1.00 1.13 H new ATOM 0 HG23 ILE A 69 -14.743 -15.371 -19.895 1.00 1.13 H new ATOM 0 HD11 ILE A 69 -16.070 -19.510 -17.735 1.00 61.15 H new ATOM 0 HD12 ILE A 69 -17.569 -18.800 -18.380 1.00 61.15 H new ATOM 0 HD13 ILE A 69 -16.391 -19.546 -19.486 1.00 61.15 H new ATOM 1111 N ALA A 70 -18.811 -15.248 -21.255 1.00 41.44 N ATOM 1112 CA ALA A 70 -19.293 -14.443 -22.372 1.00 14.51 C ATOM 1113 C ALA A 70 -19.711 -13.053 -21.906 1.00 2.42 C ATOM 1114 O ALA A 70 -19.596 -12.077 -22.648 1.00 5.33 O ATOM 1115 CB ALA A 70 -20.454 -15.142 -23.062 1.00 50.21 C ATOM 0 H ALA A 70 -19.312 -16.126 -21.121 1.00 41.44 H new ATOM 0 HA ALA A 70 -18.477 -14.328 -23.085 1.00 14.51 H new ATOM 0 HB1 ALA A 70 -20.804 -14.531 -23.894 1.00 50.21 H new ATOM 0 HB2 ALA A 70 -20.124 -16.111 -23.437 1.00 50.21 H new ATOM 0 HB3 ALA A 70 -21.267 -15.286 -22.350 1.00 50.21 H new ATOM 1121 N TYR A 71 -20.198 -12.968 -20.673 1.00 3.24 N ATOM 1122 CA TYR A 71 -20.636 -11.697 -20.109 1.00 40.34 C ATOM 1123 C TYR A 71 -19.446 -10.780 -19.841 1.00 21.43 C ATOM 1124 O TYR A 71 -19.382 -9.662 -20.350 1.00 12.11 O ATOM 1125 CB TYR A 71 -21.416 -11.931 -18.814 1.00 51.54 C ATOM 1126 CG TYR A 71 -22.912 -11.775 -18.972 1.00 34.12 C ATOM 1127 CD1 TYR A 71 -23.562 -12.239 -20.109 1.00 13.34 C ATOM 1128 CD2 TYR A 71 -23.674 -11.162 -17.985 1.00 34.21 C ATOM 1129 CE1 TYR A 71 -24.929 -12.098 -20.258 1.00 3.55 C ATOM 1130 CE2 TYR A 71 -25.041 -11.018 -18.125 1.00 21.11 C ATOM 1131 CZ TYR A 71 -25.663 -11.487 -19.262 1.00 65.43 C ATOM 1132 OH TYR A 71 -27.024 -11.345 -19.406 1.00 32.01 O ATOM 0 H TYR A 71 -20.299 -13.765 -20.045 1.00 3.24 H new ATOM 0 HA TYR A 71 -21.288 -11.212 -20.835 1.00 40.34 H new ATOM 0 HB2 TYR A 71 -21.201 -12.934 -18.446 1.00 51.54 H new ATOM 0 HB3 TYR A 71 -21.064 -11.231 -18.056 1.00 51.54 H new ATOM 0 HD1 TYR A 71 -22.990 -12.718 -20.890 1.00 13.34 H new ATOM 0 HD2 TYR A 71 -23.190 -10.792 -17.093 1.00 34.21 H new ATOM 0 HE1 TYR A 71 -25.419 -12.464 -21.148 1.00 3.55 H new ATOM 0 HE2 TYR A 71 -25.619 -10.540 -17.348 1.00 21.11 H new ATOM 0 HH TYR A 71 -27.391 -10.896 -18.616 1.00 32.01 H new ATOM 1142 N ALA A 72 -18.505 -11.264 -19.037 1.00 3.12 N ATOM 1143 CA ALA A 72 -17.315 -10.492 -18.702 1.00 31.31 C ATOM 1144 C ALA A 72 -16.586 -10.033 -19.959 1.00 63.31 C ATOM 1145 O ALA A 72 -16.306 -8.846 -20.129 1.00 62.24 O ATOM 1146 CB ALA A 72 -16.385 -11.311 -17.819 1.00 53.51 C ATOM 0 H ALA A 72 -18.544 -12.187 -18.606 1.00 3.12 H new ATOM 0 HA ALA A 72 -17.631 -9.605 -18.153 1.00 31.31 H new ATOM 0 HB1 ALA A 72 -15.501 -10.722 -17.577 1.00 53.51 H new ATOM 0 HB2 ALA A 72 -16.903 -11.583 -16.899 1.00 53.51 H new ATOM 0 HB3 ALA A 72 -16.085 -12.216 -18.348 1.00 53.51 H new ATOM 1152 N VAL A 73 -16.280 -10.982 -20.840 1.00 0.43 N ATOM 1153 CA VAL A 73 -15.583 -10.675 -22.083 1.00 1.40 C ATOM 1154 C VAL A 73 -16.302 -9.576 -22.858 1.00 64.25 C ATOM 1155 O VAL A 73 -15.672 -8.781 -23.555 1.00 10.13 O ATOM 1156 CB VAL A 73 -15.456 -11.922 -22.978 1.00 71.10 C ATOM 1157 CG1 VAL A 73 -14.754 -11.575 -24.281 1.00 23.13 C ATOM 1158 CG2 VAL A 73 -14.719 -13.032 -22.244 1.00 54.02 C ATOM 0 H VAL A 73 -16.504 -11.969 -20.715 1.00 0.43 H new ATOM 0 HA VAL A 73 -14.585 -10.330 -21.811 1.00 1.40 H new ATOM 0 HB VAL A 73 -16.458 -12.279 -23.217 1.00 71.10 H new ATOM 0 HG11 VAL A 73 -14.674 -12.469 -24.900 1.00 23.13 H new ATOM 0 HG12 VAL A 73 -15.328 -10.816 -24.812 1.00 23.13 H new ATOM 0 HG13 VAL A 73 -13.757 -11.192 -24.066 1.00 23.13 H new ATOM 0 HG21 VAL A 73 -14.638 -13.905 -22.891 1.00 54.02 H new ATOM 0 HG22 VAL A 73 -13.721 -12.688 -21.972 1.00 54.02 H new ATOM 0 HG23 VAL A 73 -15.269 -13.299 -21.341 1.00 54.02 H new ATOM 1168 N ALA A 74 -17.624 -9.540 -22.733 1.00 42.14 N ATOM 1169 CA ALA A 74 -18.429 -8.537 -23.420 1.00 44.15 C ATOM 1170 C ALA A 74 -17.923 -7.129 -23.125 1.00 70.10 C ATOM 1171 O ALA A 74 -17.963 -6.250 -23.986 1.00 62.02 O ATOM 1172 CB ALA A 74 -19.891 -8.669 -23.021 1.00 22.25 C ATOM 0 H ALA A 74 -18.161 -10.193 -22.163 1.00 42.14 H new ATOM 0 HA ALA A 74 -18.340 -8.709 -24.493 1.00 44.15 H new ATOM 0 HB1 ALA A 74 -20.480 -7.914 -23.542 1.00 22.25 H new ATOM 0 HB2 ALA A 74 -20.253 -9.661 -23.290 1.00 22.25 H new ATOM 0 HB3 ALA A 74 -19.989 -8.527 -21.945 1.00 22.25 H new ATOM 1178 N HIS A 75 -17.447 -6.921 -21.901 1.00 23.02 N ATOM 1179 CA HIS A 75 -16.933 -5.619 -21.492 1.00 61.40 C ATOM 1180 C HIS A 75 -15.489 -5.731 -21.013 1.00 21.32 C ATOM 1181 O HIS A 75 -14.977 -4.842 -20.334 1.00 55.12 O ATOM 1182 CB HIS A 75 -17.805 -5.029 -20.383 1.00 64.13 C ATOM 1183 CG HIS A 75 -18.004 -3.549 -20.503 1.00 54.11 C ATOM 1184 ND1 HIS A 75 -18.097 -2.712 -19.410 1.00 72.33 N ATOM 1185 CD2 HIS A 75 -18.125 -2.757 -21.593 1.00 31.42 C ATOM 1186 CE1 HIS A 75 -18.270 -1.469 -19.824 1.00 61.30 C ATOM 1187 NE2 HIS A 75 -18.290 -1.469 -21.145 1.00 63.51 N ATOM 0 H HIS A 75 -17.407 -7.637 -21.176 1.00 23.02 H new ATOM 0 HA HIS A 75 -16.960 -4.957 -22.357 1.00 61.40 H new ATOM 0 HB2 HIS A 75 -18.778 -5.521 -20.396 1.00 64.13 H new ATOM 0 HB3 HIS A 75 -17.350 -5.249 -19.418 1.00 64.13 H new ATOM 0 HD2 HIS A 75 -18.097 -3.078 -22.624 1.00 31.42 H new ATOM 0 HE1 HIS A 75 -18.377 -0.601 -19.190 1.00 61.30 H new ATOM 0 HE2 HIS A 75 -18.409 -0.646 -21.736 1.00 63.51 H new ATOM 1195 N LYS A 76 -14.836 -6.831 -21.372 1.00 24.00 N ATOM 1196 CA LYS A 76 -13.450 -7.061 -20.980 1.00 23.11 C ATOM 1197 C LYS A 76 -13.276 -6.898 -19.473 1.00 43.15 C ATOM 1198 O LYS A 76 -12.352 -6.225 -19.016 1.00 55.13 O ATOM 1199 CB LYS A 76 -12.523 -6.094 -21.719 1.00 4.41 C ATOM 1200 CG LYS A 76 -12.315 -6.448 -23.182 1.00 14.35 C ATOM 1201 CD LYS A 76 -10.978 -7.134 -23.406 1.00 55.22 C ATOM 1202 CE LYS A 76 -10.950 -8.519 -22.780 1.00 72.41 C ATOM 1203 NZ LYS A 76 -11.859 -9.465 -23.486 1.00 52.22 N ATOM 0 H LYS A 76 -15.244 -7.578 -21.934 1.00 24.00 H new ATOM 0 HA LYS A 76 -13.187 -8.084 -21.249 1.00 23.11 H new ATOM 0 HB2 LYS A 76 -12.935 -5.087 -21.653 1.00 4.41 H new ATOM 0 HB3 LYS A 76 -11.556 -6.076 -21.217 1.00 4.41 H new ATOM 0 HG2 LYS A 76 -13.121 -7.101 -23.517 1.00 14.35 H new ATOM 0 HG3 LYS A 76 -12.366 -5.543 -23.787 1.00 14.35 H new ATOM 0 HD2 LYS A 76 -10.783 -7.213 -24.476 1.00 55.22 H new ATOM 0 HD3 LYS A 76 -10.180 -6.525 -22.981 1.00 55.22 H new ATOM 0 HE2 LYS A 76 -9.932 -8.908 -22.803 1.00 72.41 H new ATOM 0 HE3 LYS A 76 -11.241 -8.450 -21.732 1.00 72.41 H new ATOM 0 HZ1 LYS A 76 -11.665 -10.436 -23.168 1.00 52.22 H new ATOM 0 HZ2 LYS A 76 -12.847 -9.222 -23.272 1.00 52.22 H new ATOM 0 HZ3 LYS A 76 -11.700 -9.399 -24.512 1.00 52.22 H new ATOM 1217 N ILE A 77 -14.168 -7.519 -18.709 1.00 10.21 N ATOM 1218 CA ILE A 77 -14.110 -7.443 -17.254 1.00 64.53 C ATOM 1219 C ILE A 77 -13.318 -8.610 -16.675 1.00 22.23 C ATOM 1220 O ILE A 77 -13.404 -9.737 -17.164 1.00 32.13 O ATOM 1221 CB ILE A 77 -15.520 -7.437 -16.635 1.00 42.31 C ATOM 1222 CG1 ILE A 77 -16.316 -6.232 -17.139 1.00 75.34 C ATOM 1223 CG2 ILE A 77 -15.432 -7.422 -15.117 1.00 2.15 C ATOM 1224 CD1 ILE A 77 -17.814 -6.445 -17.117 1.00 31.32 C ATOM 0 H ILE A 77 -14.939 -8.080 -19.072 1.00 10.21 H new ATOM 0 HA ILE A 77 -13.609 -6.508 -17.006 1.00 64.53 H new ATOM 0 HB ILE A 77 -16.039 -8.346 -16.940 1.00 42.31 H new ATOM 0 HG12 ILE A 77 -16.072 -5.364 -16.527 1.00 75.34 H new ATOM 0 HG13 ILE A 77 -16.005 -6.002 -18.158 1.00 75.34 H new ATOM 0 HG21 ILE A 77 -16.437 -7.418 -14.694 1.00 2.15 H new ATOM 0 HG22 ILE A 77 -14.898 -8.308 -14.775 1.00 2.15 H new ATOM 0 HG23 ILE A 77 -14.898 -6.529 -14.792 1.00 2.15 H new ATOM 0 HD11 ILE A 77 -18.314 -5.550 -17.487 1.00 31.32 H new ATOM 0 HD12 ILE A 77 -18.070 -7.293 -17.752 1.00 31.32 H new ATOM 0 HD13 ILE A 77 -18.138 -6.645 -16.096 1.00 31.32 H new ATOM 1236 N ASP A 78 -12.547 -8.333 -15.629 1.00 24.01 N ATOM 1237 CA ASP A 78 -11.740 -9.360 -14.979 1.00 72.14 C ATOM 1238 C ASP A 78 -12.623 -10.336 -14.207 1.00 22.00 C ATOM 1239 O ASP A 78 -13.025 -10.063 -13.076 1.00 51.34 O ATOM 1240 CB ASP A 78 -10.722 -8.718 -14.037 1.00 3.25 C ATOM 1241 CG ASP A 78 -9.552 -8.105 -14.779 1.00 43.43 C ATOM 1242 OD1 ASP A 78 -9.786 -7.215 -15.624 1.00 53.14 O ATOM 1243 OD2 ASP A 78 -8.402 -8.514 -14.517 1.00 4.33 O ATOM 0 H ASP A 78 -12.464 -7.406 -15.213 1.00 24.01 H new ATOM 0 HA ASP A 78 -11.208 -9.914 -15.752 1.00 72.14 H new ATOM 0 HB2 ASP A 78 -11.216 -7.948 -13.444 1.00 3.25 H new ATOM 0 HB3 ASP A 78 -10.352 -9.470 -13.340 1.00 3.25 H new ATOM 1248 N TYR A 79 -12.920 -11.473 -14.825 1.00 62.10 N ATOM 1249 CA TYR A 79 -13.758 -12.488 -14.198 1.00 31.14 C ATOM 1250 C TYR A 79 -12.910 -13.632 -13.650 1.00 65.25 C ATOM 1251 O TYR A 79 -11.952 -14.071 -14.289 1.00 32.34 O ATOM 1252 CB TYR A 79 -14.778 -13.029 -15.201 1.00 31.04 C ATOM 1253 CG TYR A 79 -14.156 -13.811 -16.335 1.00 63.30 C ATOM 1254 CD1 TYR A 79 -13.647 -13.165 -17.454 1.00 44.23 C ATOM 1255 CD2 TYR A 79 -14.077 -15.198 -16.286 1.00 73.24 C ATOM 1256 CE1 TYR A 79 -13.079 -13.877 -18.493 1.00 4.45 C ATOM 1257 CE2 TYR A 79 -13.509 -15.918 -17.320 1.00 73.11 C ATOM 1258 CZ TYR A 79 -13.012 -15.253 -18.421 1.00 3.41 C ATOM 1259 OH TYR A 79 -12.445 -15.964 -19.453 1.00 31.51 O ATOM 0 H TYR A 79 -12.593 -11.715 -15.760 1.00 62.10 H new ATOM 0 HA TYR A 79 -14.288 -12.022 -13.367 1.00 31.14 H new ATOM 0 HB2 TYR A 79 -15.487 -13.669 -14.676 1.00 31.04 H new ATOM 0 HB3 TYR A 79 -15.346 -12.195 -15.614 1.00 31.04 H new ATOM 0 HD1 TYR A 79 -13.696 -12.088 -17.513 1.00 44.23 H new ATOM 0 HD2 TYR A 79 -14.466 -15.722 -15.425 1.00 73.24 H new ATOM 0 HE1 TYR A 79 -12.690 -13.359 -19.357 1.00 4.45 H new ATOM 0 HE2 TYR A 79 -13.455 -16.995 -17.266 1.00 73.11 H new ATOM 0 HH TYR A 79 -12.475 -16.921 -19.246 1.00 31.51 H new ATOM 1269 N THR A 80 -13.270 -14.113 -12.465 1.00 1.52 N ATOM 1270 CA THR A 80 -12.543 -15.205 -11.830 1.00 43.12 C ATOM 1271 C THR A 80 -13.382 -16.478 -11.799 1.00 45.30 C ATOM 1272 O THR A 80 -14.580 -16.437 -11.520 1.00 2.11 O ATOM 1273 CB THR A 80 -12.127 -14.843 -10.392 1.00 3.50 C ATOM 1274 OG1 THR A 80 -11.270 -15.858 -9.859 1.00 43.51 O ATOM 1275 CG2 THR A 80 -13.348 -14.683 -9.499 1.00 41.43 C ATOM 0 H THR A 80 -14.061 -13.763 -11.925 1.00 1.52 H new ATOM 0 HA THR A 80 -11.647 -15.377 -12.426 1.00 43.12 H new ATOM 0 HB THR A 80 -11.591 -13.894 -10.421 1.00 3.50 H new ATOM 0 HG1 THR A 80 -11.009 -15.619 -8.945 1.00 43.51 H new ATOM 0 HG21 THR A 80 -13.029 -14.427 -8.489 1.00 41.43 H new ATOM 0 HG22 THR A 80 -13.984 -13.889 -9.891 1.00 41.43 H new ATOM 0 HG23 THR A 80 -13.908 -15.618 -9.477 1.00 41.43 H new ATOM 1283 N VAL A 81 -12.744 -17.608 -12.087 1.00 21.33 N ATOM 1284 CA VAL A 81 -13.431 -18.894 -12.089 1.00 41.41 C ATOM 1285 C VAL A 81 -13.078 -19.709 -10.850 1.00 73.03 C ATOM 1286 O VAL A 81 -11.932 -20.123 -10.671 1.00 43.52 O ATOM 1287 CB VAL A 81 -13.083 -19.714 -13.345 1.00 3.41 C ATOM 1288 CG1 VAL A 81 -13.844 -21.030 -13.353 1.00 72.43 C ATOM 1289 CG2 VAL A 81 -13.376 -18.911 -14.604 1.00 15.05 C ATOM 0 H VAL A 81 -11.753 -17.659 -12.322 1.00 21.33 H new ATOM 0 HA VAL A 81 -14.500 -18.681 -12.087 1.00 41.41 H new ATOM 0 HB VAL A 81 -12.017 -19.940 -13.325 1.00 3.41 H new ATOM 0 HG11 VAL A 81 -13.585 -21.595 -14.248 1.00 72.43 H new ATOM 0 HG12 VAL A 81 -13.578 -21.609 -12.469 1.00 72.43 H new ATOM 0 HG13 VAL A 81 -14.916 -20.831 -13.348 1.00 72.43 H new ATOM 0 HG21 VAL A 81 -13.124 -19.506 -15.482 1.00 15.05 H new ATOM 0 HG22 VAL A 81 -14.434 -18.652 -14.632 1.00 15.05 H new ATOM 0 HG23 VAL A 81 -12.780 -17.999 -14.601 1.00 15.05 H new ATOM 1299 N LEU A 82 -14.070 -19.936 -9.997 1.00 11.35 N ATOM 1300 CA LEU A 82 -13.865 -20.702 -8.772 1.00 31.45 C ATOM 1301 C LEU A 82 -14.544 -22.065 -8.863 1.00 32.51 C ATOM 1302 O LEU A 82 -15.765 -22.153 -8.984 1.00 75.42 O ATOM 1303 CB LEU A 82 -14.405 -19.931 -7.567 1.00 11.45 C ATOM 1304 CG LEU A 82 -13.478 -18.861 -6.986 1.00 34.22 C ATOM 1305 CD1 LEU A 82 -12.167 -19.482 -6.530 1.00 1.21 C ATOM 1306 CD2 LEU A 82 -13.224 -17.763 -8.007 1.00 65.22 C ATOM 0 H LEU A 82 -15.024 -19.601 -10.130 1.00 11.35 H new ATOM 0 HA LEU A 82 -12.794 -20.857 -8.645 1.00 31.45 H new ATOM 0 HB2 LEU A 82 -15.342 -19.454 -7.856 1.00 11.45 H new ATOM 0 HB3 LEU A 82 -14.641 -20.646 -6.779 1.00 11.45 H new ATOM 0 HG LEU A 82 -13.967 -18.416 -6.119 1.00 34.22 H new ATOM 0 HD11 LEU A 82 -11.520 -18.706 -6.120 1.00 1.21 H new ATOM 0 HD12 LEU A 82 -12.366 -20.231 -5.764 1.00 1.21 H new ATOM 0 HD13 LEU A 82 -11.673 -19.954 -7.379 1.00 1.21 H new ATOM 0 HD21 LEU A 82 -12.563 -17.011 -7.576 1.00 65.22 H new ATOM 0 HD22 LEU A 82 -12.757 -18.192 -8.894 1.00 65.22 H new ATOM 0 HD23 LEU A 82 -14.170 -17.298 -8.284 1.00 65.22 H new ATOM 1318 N GLN A 83 -13.744 -23.125 -8.801 1.00 32.43 N ATOM 1319 CA GLN A 83 -14.270 -24.484 -8.874 1.00 14.42 C ATOM 1320 C GLN A 83 -13.759 -25.329 -7.712 1.00 43.42 C ATOM 1321 O GLN A 83 -12.718 -25.030 -7.125 1.00 41.02 O ATOM 1322 CB GLN A 83 -13.880 -25.132 -10.203 1.00 22.02 C ATOM 1323 CG GLN A 83 -12.378 -25.288 -10.386 1.00 73.21 C ATOM 1324 CD GLN A 83 -11.983 -25.459 -11.839 1.00 64.15 C ATOM 1325 OE1 GLN A 83 -12.440 -26.383 -12.515 1.00 40.41 O ATOM 1326 NE2 GLN A 83 -11.129 -24.569 -12.330 1.00 44.24 N ATOM 0 H GLN A 83 -12.730 -23.069 -8.701 1.00 32.43 H new ATOM 0 HA GLN A 83 -15.357 -24.431 -8.809 1.00 14.42 H new ATOM 0 HB2 GLN A 83 -14.350 -26.113 -10.271 1.00 22.02 H new ATOM 0 HB3 GLN A 83 -14.277 -24.531 -11.021 1.00 22.02 H new ATOM 0 HG2 GLN A 83 -11.873 -24.413 -9.977 1.00 73.21 H new ATOM 0 HG3 GLN A 83 -12.034 -26.151 -9.816 1.00 73.21 H new ATOM 0 HE21 GLN A 83 -10.775 -23.820 -11.735 1.00 44.24 H new ATOM 0 HE22 GLN A 83 -10.827 -24.635 -13.302 1.00 44.24 H new ATOM 1335 N ASP A 84 -14.496 -26.384 -7.385 1.00 52.30 N ATOM 1336 CA ASP A 84 -14.116 -27.273 -6.293 1.00 64.33 C ATOM 1337 C ASP A 84 -14.169 -28.732 -6.737 1.00 42.11 C ATOM 1338 O ASP A 84 -15.228 -29.242 -7.099 1.00 61.31 O ATOM 1339 CB ASP A 84 -15.036 -27.060 -5.090 1.00 2.42 C ATOM 1340 CG ASP A 84 -14.598 -25.893 -4.227 1.00 73.14 C ATOM 1341 OD1 ASP A 84 -13.785 -25.074 -4.704 1.00 43.52 O ATOM 1342 OD2 ASP A 84 -15.070 -25.798 -3.075 1.00 43.43 O ATOM 0 H ASP A 84 -15.360 -26.645 -7.860 1.00 52.30 H new ATOM 0 HA ASP A 84 -13.092 -27.036 -6.004 1.00 64.33 H new ATOM 0 HB2 ASP A 84 -16.054 -26.887 -5.440 1.00 2.42 H new ATOM 0 HB3 ASP A 84 -15.056 -27.967 -4.486 1.00 2.42 H new ATOM 1347 N ASN A 85 -13.018 -29.396 -6.708 1.00 72.32 N ATOM 1348 CA ASN A 85 -12.934 -30.796 -7.109 1.00 44.20 C ATOM 1349 C ASN A 85 -13.362 -30.972 -8.562 1.00 73.35 C ATOM 1350 O ASN A 85 -14.420 -31.528 -8.861 1.00 31.44 O ATOM 1351 CB ASN A 85 -13.807 -31.662 -6.199 1.00 31.11 C ATOM 1352 CG ASN A 85 -13.337 -33.104 -6.149 1.00 11.25 C ATOM 1353 OD1 ASN A 85 -12.793 -33.624 -7.122 1.00 64.30 O ATOM 1354 ND2 ASN A 85 -13.547 -33.754 -5.010 1.00 64.23 N ATOM 0 H ASN A 85 -12.132 -28.988 -6.411 1.00 72.32 H new ATOM 0 HA ASN A 85 -11.896 -31.114 -7.014 1.00 44.20 H new ATOM 0 HB2 ASN A 85 -13.802 -31.246 -5.192 1.00 31.11 H new ATOM 0 HB3 ASN A 85 -14.838 -31.631 -6.552 1.00 31.11 H new ATOM 0 HD21 ASN A 85 -13.253 -34.726 -4.916 1.00 64.23 H new ATOM 0 HD22 ASN A 85 -14.002 -33.281 -4.229 1.00 64.23 H new ATOM 1361 N PRO A 86 -12.524 -30.489 -9.490 1.00 4.52 N ATOM 1362 CA PRO A 86 -12.793 -30.582 -10.928 1.00 54.02 C ATOM 1363 C PRO A 86 -12.696 -32.013 -11.445 1.00 12.14 C ATOM 1364 O PRO A 86 -11.599 -32.531 -11.659 1.00 33.50 O ATOM 1365 CB PRO A 86 -11.699 -29.712 -11.552 1.00 33.12 C ATOM 1366 CG PRO A 86 -10.590 -29.728 -10.557 1.00 74.33 C ATOM 1367 CD PRO A 86 -11.246 -29.813 -9.207 1.00 22.14 C ATOM 0 HA PRO A 86 -13.805 -30.259 -11.174 1.00 54.02 H new ATOM 0 HB2 PRO A 86 -11.375 -30.112 -12.513 1.00 33.12 H new ATOM 0 HB3 PRO A 86 -12.055 -28.698 -11.733 1.00 33.12 H new ATOM 0 HG2 PRO A 86 -9.929 -30.578 -10.724 1.00 74.33 H new ATOM 0 HG3 PRO A 86 -9.980 -28.829 -10.638 1.00 74.33 H new ATOM 0 HD2 PRO A 86 -10.640 -30.380 -8.501 1.00 22.14 H new ATOM 0 HD3 PRO A 86 -11.401 -28.825 -8.773 1.00 22.14 H new ATOM 1375 N ARG A 87 -13.847 -32.646 -11.643 1.00 15.14 N ATOM 1376 CA ARG A 87 -13.890 -34.018 -12.133 1.00 32.24 C ATOM 1377 C ARG A 87 -13.848 -34.051 -13.658 1.00 75.53 C ATOM 1378 O ARG A 87 -14.861 -34.302 -14.313 1.00 12.42 O ATOM 1379 CB ARG A 87 -15.152 -34.723 -11.631 1.00 41.33 C ATOM 1380 CG ARG A 87 -15.083 -36.238 -11.728 1.00 30.41 C ATOM 1381 CD ARG A 87 -16.120 -36.901 -10.835 1.00 63.30 C ATOM 1382 NE ARG A 87 -15.754 -38.274 -10.497 1.00 33.11 N ATOM 1383 CZ ARG A 87 -16.438 -39.028 -9.644 1.00 71.14 C ATOM 1384 NH1 ARG A 87 -17.519 -38.545 -9.047 1.00 31.13 N ATOM 1385 NH2 ARG A 87 -16.042 -40.268 -9.387 1.00 74.22 N ATOM 0 H ARG A 87 -14.763 -32.231 -11.472 1.00 15.14 H new ATOM 0 HA ARG A 87 -13.014 -34.542 -11.751 1.00 32.24 H new ATOM 0 HB2 ARG A 87 -15.326 -34.442 -10.593 1.00 41.33 H new ATOM 0 HB3 ARG A 87 -16.008 -34.369 -12.205 1.00 41.33 H new ATOM 0 HG2 ARG A 87 -15.242 -36.545 -12.762 1.00 30.41 H new ATOM 0 HG3 ARG A 87 -14.087 -36.577 -11.444 1.00 30.41 H new ATOM 0 HD2 ARG A 87 -16.234 -36.321 -9.920 1.00 63.30 H new ATOM 0 HD3 ARG A 87 -17.087 -36.897 -11.338 1.00 63.30 H new ATOM 0 HE ARG A 87 -14.928 -38.676 -10.940 1.00 33.11 H new ATOM 0 HH11 ARG A 87 -17.827 -37.592 -9.242 1.00 31.13 H new ATOM 0 HH12 ARG A 87 -18.043 -39.126 -8.392 1.00 31.13 H new ATOM 0 HH21 ARG A 87 -15.211 -40.643 -9.845 1.00 74.22 H new ATOM 0 HH22 ARG A 87 -16.568 -40.846 -8.732 1.00 74.22 H new ATOM 1399 N THR A 88 -12.670 -33.796 -14.218 1.00 23.50 N ATOM 1400 CA THR A 88 -12.496 -33.796 -15.665 1.00 52.45 C ATOM 1401 C THR A 88 -11.805 -35.070 -16.138 1.00 35.14 C ATOM 1402 O THR A 88 -10.615 -35.061 -16.452 1.00 23.31 O ATOM 1403 CB THR A 88 -11.677 -32.578 -16.132 1.00 42.14 C ATOM 1404 OG1 THR A 88 -12.307 -31.367 -15.698 1.00 25.44 O ATOM 1405 CG2 THR A 88 -11.536 -32.567 -17.646 1.00 61.53 C ATOM 0 H THR A 88 -11.822 -33.587 -13.691 1.00 23.50 H new ATOM 0 HA THR A 88 -13.493 -33.744 -16.102 1.00 52.45 H new ATOM 0 HB THR A 88 -10.683 -32.648 -15.691 1.00 42.14 H new ATOM 0 HG1 THR A 88 -11.779 -30.598 -15.998 1.00 25.44 H new ATOM 0 HG21 THR A 88 -10.954 -31.697 -17.951 1.00 61.53 H new ATOM 0 HG22 THR A 88 -11.029 -33.475 -17.971 1.00 61.53 H new ATOM 0 HG23 THR A 88 -12.524 -32.520 -18.103 1.00 61.53 H new ATOM 1413 N ILE A 89 -12.558 -36.163 -16.185 1.00 33.41 N ATOM 1414 CA ILE A 89 -12.018 -37.445 -16.620 1.00 31.22 C ATOM 1415 C ILE A 89 -12.293 -37.683 -18.101 1.00 12.10 C ATOM 1416 O ILE A 89 -13.208 -37.092 -18.676 1.00 24.14 O ATOM 1417 CB ILE A 89 -12.609 -38.611 -15.806 1.00 1.35 C ATOM 1418 CG1 ILE A 89 -12.636 -38.259 -14.317 1.00 13.45 C ATOM 1419 CG2 ILE A 89 -11.805 -39.881 -16.040 1.00 5.32 C ATOM 1420 CD1 ILE A 89 -11.276 -37.913 -13.752 1.00 54.03 C ATOM 0 H ILE A 89 -13.545 -36.187 -15.927 1.00 33.41 H new ATOM 0 HA ILE A 89 -10.941 -37.406 -16.454 1.00 31.22 H new ATOM 0 HB ILE A 89 -13.632 -38.785 -16.138 1.00 1.35 H new ATOM 0 HG12 ILE A 89 -13.309 -37.416 -14.164 1.00 13.45 H new ATOM 0 HG13 ILE A 89 -13.048 -39.101 -13.761 1.00 13.45 H new ATOM 0 HG21 ILE A 89 -12.235 -40.696 -15.458 1.00 5.32 H new ATOM 0 HG22 ILE A 89 -11.831 -40.138 -17.099 1.00 5.32 H new ATOM 0 HG23 ILE A 89 -10.772 -39.720 -15.731 1.00 5.32 H new ATOM 0 HD11 ILE A 89 -11.372 -37.674 -12.693 1.00 54.03 H new ATOM 0 HD12 ILE A 89 -10.605 -38.763 -13.873 1.00 54.03 H new ATOM 0 HD13 ILE A 89 -10.870 -37.052 -14.282 1.00 54.03 H new ATOM 1432 N VAL A 90 -11.497 -38.554 -18.712 1.00 43.24 N ATOM 1433 CA VAL A 90 -11.656 -38.873 -20.126 1.00 11.10 C ATOM 1434 C VAL A 90 -13.089 -39.288 -20.438 1.00 41.32 C ATOM 1435 O VAL A 90 -13.831 -39.748 -19.571 1.00 34.24 O ATOM 1436 CB VAL A 90 -10.702 -40.002 -20.557 1.00 4.12 C ATOM 1437 CG1 VAL A 90 -9.284 -39.473 -20.715 1.00 54.52 C ATOM 1438 CG2 VAL A 90 -10.743 -41.147 -19.556 1.00 11.30 C ATOM 0 H VAL A 90 -10.736 -39.051 -18.250 1.00 43.24 H new ATOM 0 HA VAL A 90 -11.413 -37.969 -20.684 1.00 11.10 H new ATOM 0 HB VAL A 90 -11.033 -40.382 -21.523 1.00 4.12 H new ATOM 0 HG11 VAL A 90 -8.624 -40.285 -21.020 1.00 54.52 H new ATOM 0 HG12 VAL A 90 -9.270 -38.690 -21.473 1.00 54.52 H new ATOM 0 HG13 VAL A 90 -8.940 -39.064 -19.765 1.00 54.52 H new ATOM 0 HG21 VAL A 90 -10.063 -41.936 -19.877 1.00 11.30 H new ATOM 0 HG22 VAL A 90 -10.439 -40.783 -18.574 1.00 11.30 H new ATOM 0 HG23 VAL A 90 -11.757 -41.544 -19.498 1.00 11.30 H new ATOM 1448 N PRO A 91 -13.490 -39.121 -21.707 1.00 74.55 N ATOM 1449 CA PRO A 91 -14.839 -39.473 -22.163 1.00 64.20 C ATOM 1450 C PRO A 91 -15.068 -40.980 -22.185 1.00 64.31 C ATOM 1451 O PRO A 91 -14.302 -41.727 -22.795 1.00 74.34 O ATOM 1452 CB PRO A 91 -14.891 -38.904 -23.584 1.00 73.00 C ATOM 1453 CG PRO A 91 -13.471 -38.861 -24.028 1.00 11.34 C ATOM 1454 CD PRO A 91 -12.659 -38.579 -22.794 1.00 54.44 C ATOM 0 HA PRO A 91 -15.610 -39.078 -21.501 1.00 64.20 H new ATOM 0 HB2 PRO A 91 -15.492 -39.533 -24.240 1.00 73.00 H new ATOM 0 HB3 PRO A 91 -15.340 -37.911 -23.596 1.00 73.00 H new ATOM 0 HG2 PRO A 91 -13.175 -39.807 -24.482 1.00 11.34 H new ATOM 0 HG3 PRO A 91 -13.321 -38.086 -24.780 1.00 11.34 H new ATOM 0 HD2 PRO A 91 -11.684 -39.065 -22.835 1.00 54.44 H new ATOM 0 HD3 PRO A 91 -12.478 -37.512 -22.667 1.00 54.44 H new ATOM 1462 N LYS A 92 -16.127 -41.422 -21.515 1.00 70.52 N ATOM 1463 CA LYS A 92 -16.460 -42.841 -21.458 1.00 3.23 C ATOM 1464 C LYS A 92 -17.915 -43.075 -21.852 1.00 3.51 C ATOM 1465 O LYS A 92 -18.819 -42.407 -21.350 1.00 2.13 O ATOM 1466 CB LYS A 92 -16.207 -43.389 -20.052 1.00 25.11 C ATOM 1467 CG LYS A 92 -16.879 -42.582 -18.955 1.00 74.03 C ATOM 1468 CD LYS A 92 -16.553 -43.134 -17.578 1.00 13.25 C ATOM 1469 CE LYS A 92 -16.868 -42.125 -16.483 1.00 63.04 C ATOM 1470 NZ LYS A 92 -18.306 -42.159 -16.096 1.00 15.43 N ATOM 0 H LYS A 92 -16.770 -40.818 -21.003 1.00 70.52 H new ATOM 0 HA LYS A 92 -15.821 -43.367 -22.167 1.00 3.23 H new ATOM 0 HB2 LYS A 92 -16.561 -44.419 -20.003 1.00 25.11 H new ATOM 0 HB3 LYS A 92 -15.133 -43.413 -19.868 1.00 25.11 H new ATOM 0 HG2 LYS A 92 -16.557 -41.543 -19.017 1.00 74.03 H new ATOM 0 HG3 LYS A 92 -17.959 -42.590 -19.105 1.00 74.03 H new ATOM 0 HD2 LYS A 92 -17.123 -44.048 -17.407 1.00 13.25 H new ATOM 0 HD3 LYS A 92 -15.498 -43.403 -17.533 1.00 13.25 H new ATOM 0 HE2 LYS A 92 -16.251 -42.333 -15.609 1.00 63.04 H new ATOM 0 HE3 LYS A 92 -16.607 -41.124 -16.826 1.00 63.04 H new ATOM 0 HZ1 LYS A 92 -18.481 -41.458 -15.348 1.00 15.43 H new ATOM 0 HZ2 LYS A 92 -18.894 -41.935 -16.924 1.00 15.43 H new ATOM 0 HZ3 LYS A 92 -18.549 -43.107 -15.745 1.00 15.43 H new ATOM 1484 N SER A 93 -18.133 -44.028 -22.753 1.00 15.41 N ATOM 1485 CA SER A 93 -19.478 -44.348 -23.216 1.00 72.42 C ATOM 1486 C SER A 93 -20.056 -45.523 -22.434 1.00 73.22 C ATOM 1487 O SER A 93 -20.985 -45.360 -21.641 1.00 60.14 O ATOM 1488 CB SER A 93 -19.463 -44.674 -24.710 1.00 42.24 C ATOM 1489 OG SER A 93 -18.865 -43.626 -25.454 1.00 75.14 O ATOM 0 H SER A 93 -17.396 -44.592 -23.176 1.00 15.41 H new ATOM 0 HA SER A 93 -20.110 -43.476 -23.049 1.00 72.42 H new ATOM 0 HB2 SER A 93 -18.916 -45.602 -24.878 1.00 42.24 H new ATOM 0 HB3 SER A 93 -20.482 -44.837 -25.060 1.00 42.24 H new ATOM 0 HG SER A 93 -18.866 -43.859 -26.406 1.00 75.14 H new ATOM 1495 N TYR A 94 -19.501 -46.709 -22.663 1.00 50.43 N ATOM 1496 CA TYR A 94 -19.963 -47.913 -21.983 1.00 2.54 C ATOM 1497 C TYR A 94 -19.005 -49.075 -22.225 1.00 22.24 C ATOM 1498 O TYR A 94 -18.665 -49.387 -23.366 1.00 14.00 O ATOM 1499 CB TYR A 94 -21.367 -48.287 -22.459 1.00 14.34 C ATOM 1500 CG TYR A 94 -21.483 -48.416 -23.960 1.00 43.45 C ATOM 1501 CD1 TYR A 94 -21.674 -47.295 -24.761 1.00 30.33 C ATOM 1502 CD2 TYR A 94 -21.401 -49.657 -24.579 1.00 52.33 C ATOM 1503 CE1 TYR A 94 -21.781 -47.408 -26.133 1.00 63.52 C ATOM 1504 CE2 TYR A 94 -21.506 -49.779 -25.951 1.00 4.02 C ATOM 1505 CZ TYR A 94 -21.696 -48.653 -26.724 1.00 15.11 C ATOM 1506 OH TYR A 94 -21.802 -48.769 -28.091 1.00 22.02 O ATOM 0 H TYR A 94 -18.731 -46.862 -23.314 1.00 50.43 H new ATOM 0 HA TYR A 94 -19.993 -47.707 -20.913 1.00 2.54 H new ATOM 0 HB2 TYR A 94 -21.658 -49.231 -21.998 1.00 14.34 H new ATOM 0 HB3 TYR A 94 -22.072 -47.532 -22.112 1.00 14.34 H new ATOM 0 HD1 TYR A 94 -21.740 -46.320 -24.302 1.00 30.33 H new ATOM 0 HD2 TYR A 94 -21.253 -50.541 -23.977 1.00 52.33 H new ATOM 0 HE1 TYR A 94 -21.930 -46.528 -26.740 1.00 63.52 H new ATOM 0 HE2 TYR A 94 -21.440 -50.752 -26.416 1.00 4.02 H new ATOM 0 HH TYR A 94 -21.720 -49.711 -28.347 1.00 22.02 H new ATOM 1516 N ALA A 95 -18.573 -49.713 -21.143 1.00 21.35 N ATOM 1517 CA ALA A 95 -17.658 -50.844 -21.236 1.00 3.13 C ATOM 1518 C ALA A 95 -18.338 -52.052 -21.870 1.00 75.20 C ATOM 1519 O ALA A 95 -19.460 -52.405 -21.506 1.00 72.13 O ATOM 1520 CB ALA A 95 -17.118 -51.201 -19.859 1.00 31.21 C ATOM 0 H ALA A 95 -18.842 -49.466 -20.191 1.00 21.35 H new ATOM 0 HA ALA A 95 -16.825 -50.553 -21.876 1.00 3.13 H new ATOM 0 HB1 ALA A 95 -16.436 -52.047 -19.944 1.00 31.21 H new ATOM 0 HB2 ALA A 95 -16.585 -50.346 -19.444 1.00 31.21 H new ATOM 0 HB3 ALA A 95 -17.946 -51.466 -19.201 1.00 31.21 H new ATOM 1526 N ASP A 96 -17.654 -52.681 -22.818 1.00 51.31 N ATOM 1527 CA ASP A 96 -18.193 -53.850 -23.503 1.00 72.31 C ATOM 1528 C ASP A 96 -17.142 -54.481 -24.411 1.00 54.30 C ATOM 1529 O ASP A 96 -16.162 -53.837 -24.784 1.00 33.21 O ATOM 1530 CB ASP A 96 -19.427 -53.465 -24.320 1.00 21.30 C ATOM 1531 CG ASP A 96 -19.067 -52.883 -25.673 1.00 11.22 C ATOM 1532 OD1 ASP A 96 -18.715 -51.687 -25.730 1.00 4.52 O ATOM 1533 OD2 ASP A 96 -19.136 -53.625 -26.675 1.00 34.01 O ATOM 0 H ASP A 96 -16.724 -52.401 -23.130 1.00 51.31 H new ATOM 0 HA ASP A 96 -18.481 -54.582 -22.748 1.00 72.31 H new ATOM 0 HB2 ASP A 96 -20.054 -54.345 -24.462 1.00 21.30 H new ATOM 0 HB3 ASP A 96 -20.017 -52.739 -23.761 1.00 21.30 H new ATOM 1538 N ASN A 97 -17.353 -55.745 -24.763 1.00 35.20 N ATOM 1539 CA ASN A 97 -16.424 -56.464 -25.626 1.00 43.31 C ATOM 1540 C ASN A 97 -17.079 -56.814 -26.959 1.00 44.30 C ATOM 1541 O ASN A 97 -18.237 -57.227 -27.004 1.00 35.41 O ATOM 1542 CB ASN A 97 -15.934 -57.738 -24.935 1.00 71.22 C ATOM 1543 CG ASN A 97 -15.135 -58.630 -25.865 1.00 43.22 C ATOM 1544 OD1 ASN A 97 -14.147 -58.198 -26.461 1.00 53.20 O ATOM 1545 ND2 ASN A 97 -15.558 -59.882 -25.994 1.00 45.14 N ATOM 0 H ASN A 97 -18.160 -56.293 -24.463 1.00 35.20 H new ATOM 0 HA ASN A 97 -15.571 -55.814 -25.820 1.00 43.31 H new ATOM 0 HB2 ASN A 97 -15.318 -57.469 -24.077 1.00 71.22 H new ATOM 0 HB3 ASN A 97 -16.791 -58.292 -24.551 1.00 71.22 H new ATOM 0 HD21 ASN A 97 -15.060 -60.528 -26.606 1.00 45.14 H new ATOM 0 HD22 ASN A 97 -16.381 -60.198 -25.481 1.00 45.14 H new ATOM 1552 N PHE A 98 -16.328 -56.646 -28.043 1.00 15.54 N ATOM 1553 CA PHE A 98 -16.835 -56.944 -29.377 1.00 42.21 C ATOM 1554 C PHE A 98 -16.279 -58.271 -29.886 1.00 54.14 C ATOM 1555 O PHE A 98 -15.206 -58.709 -29.471 1.00 53.11 O ATOM 1556 CB PHE A 98 -16.469 -55.818 -30.348 1.00 25.14 C ATOM 1557 CG PHE A 98 -14.989 -55.598 -30.479 1.00 3.02 C ATOM 1558 CD1 PHE A 98 -14.229 -56.388 -31.328 1.00 73.21 C ATOM 1559 CD2 PHE A 98 -14.356 -54.601 -29.754 1.00 65.34 C ATOM 1560 CE1 PHE A 98 -12.868 -56.188 -31.449 1.00 24.21 C ATOM 1561 CE2 PHE A 98 -12.995 -54.396 -29.872 1.00 43.23 C ATOM 1562 CZ PHE A 98 -12.249 -55.190 -30.722 1.00 70.03 C ATOM 0 H PHE A 98 -15.367 -56.305 -28.023 1.00 15.54 H new ATOM 0 HA PHE A 98 -17.920 -57.024 -29.317 1.00 42.21 H new ATOM 0 HB2 PHE A 98 -16.883 -56.047 -31.330 1.00 25.14 H new ATOM 0 HB3 PHE A 98 -16.938 -54.893 -30.013 1.00 25.14 H new ATOM 0 HD1 PHE A 98 -14.707 -57.169 -31.901 1.00 73.21 H new ATOM 0 HD2 PHE A 98 -14.934 -53.977 -29.089 1.00 65.34 H new ATOM 0 HE1 PHE A 98 -12.287 -56.812 -32.112 1.00 24.21 H new ATOM 0 HE2 PHE A 98 -12.514 -53.616 -29.300 1.00 43.23 H new ATOM 0 HZ PHE A 98 -11.185 -55.031 -30.818 1.00 70.03 H new ATOM 1572 N THR A 99 -17.019 -58.906 -30.790 1.00 33.43 N ATOM 1573 CA THR A 99 -16.604 -60.184 -31.355 1.00 24.33 C ATOM 1574 C THR A 99 -17.122 -60.350 -32.779 1.00 73.20 C ATOM 1575 O THR A 99 -18.303 -60.127 -33.050 1.00 40.54 O ATOM 1576 CB THR A 99 -17.099 -61.365 -30.499 1.00 3.24 C ATOM 1577 OG1 THR A 99 -17.064 -61.013 -29.112 1.00 24.35 O ATOM 1578 CG2 THR A 99 -16.244 -62.601 -30.736 1.00 33.12 C ATOM 0 H THR A 99 -17.908 -58.556 -31.146 1.00 33.43 H new ATOM 0 HA THR A 99 -15.514 -60.185 -31.366 1.00 24.33 H new ATOM 0 HB THR A 99 -18.125 -61.591 -30.790 1.00 3.24 H new ATOM 0 HG1 THR A 99 -17.382 -61.768 -28.575 1.00 24.35 H new ATOM 0 HG21 THR A 99 -16.613 -63.422 -30.121 1.00 33.12 H new ATOM 0 HG22 THR A 99 -16.297 -62.884 -31.787 1.00 33.12 H new ATOM 0 HG23 THR A 99 -15.209 -62.384 -30.470 1.00 33.12 H new ATOM 1586 N LYS A 100 -16.234 -60.744 -33.685 1.00 74.21 N ATOM 1587 CA LYS A 100 -16.603 -60.943 -35.082 1.00 20.15 C ATOM 1588 C LYS A 100 -16.111 -62.295 -35.587 1.00 4.31 C ATOM 1589 O LYS A 100 -15.198 -62.382 -36.410 1.00 63.43 O ATOM 1590 CB LYS A 100 -16.024 -59.822 -35.947 1.00 72.04 C ATOM 1591 CG LYS A 100 -16.644 -59.740 -37.332 1.00 21.21 C ATOM 1592 CD LYS A 100 -18.019 -59.094 -37.291 1.00 3.42 C ATOM 1593 CE LYS A 100 -18.749 -59.250 -38.616 1.00 4.51 C ATOM 1594 NZ LYS A 100 -18.385 -58.175 -39.580 1.00 44.20 N ATOM 0 H LYS A 100 -15.253 -60.932 -33.477 1.00 74.21 H new ATOM 0 HA LYS A 100 -17.691 -60.923 -35.152 1.00 20.15 H new ATOM 0 HB2 LYS A 100 -16.168 -58.870 -35.437 1.00 72.04 H new ATOM 0 HB3 LYS A 100 -14.949 -59.971 -36.048 1.00 72.04 H new ATOM 0 HG2 LYS A 100 -15.991 -59.167 -37.990 1.00 21.21 H new ATOM 0 HG3 LYS A 100 -16.724 -60.741 -37.756 1.00 21.21 H new ATOM 0 HD2 LYS A 100 -18.610 -59.545 -36.494 1.00 3.42 H new ATOM 0 HD3 LYS A 100 -17.918 -58.035 -37.053 1.00 3.42 H new ATOM 0 HE2 LYS A 100 -18.512 -60.222 -39.049 1.00 4.51 H new ATOM 0 HE3 LYS A 100 -19.825 -59.233 -38.442 1.00 4.51 H new ATOM 0 HZ1 LYS A 100 -18.903 -58.317 -40.470 1.00 44.20 H new ATOM 0 HZ2 LYS A 100 -18.635 -57.249 -39.178 1.00 44.20 H new ATOM 0 HZ3 LYS A 100 -17.362 -58.207 -39.766 1.00 44.20 H new ATOM 1608 N PRO A 101 -16.726 -63.376 -35.086 1.00 74.35 N ATOM 1609 CA PRO A 101 -16.368 -64.743 -35.475 1.00 70.11 C ATOM 1610 C PRO A 101 -16.767 -65.061 -36.912 1.00 53.00 C ATOM 1611 O PRO A 101 -17.705 -64.472 -37.450 1.00 41.13 O ATOM 1612 CB PRO A 101 -17.163 -65.610 -34.495 1.00 5.24 C ATOM 1613 CG PRO A 101 -18.321 -64.764 -34.094 1.00 74.21 C ATOM 1614 CD PRO A 101 -17.821 -63.346 -34.102 1.00 0.24 C ATOM 0 HA PRO A 101 -15.291 -64.909 -35.436 1.00 70.11 H new ATOM 0 HB2 PRO A 101 -17.493 -66.537 -34.964 1.00 5.24 H new ATOM 0 HB3 PRO A 101 -16.558 -65.888 -33.632 1.00 5.24 H new ATOM 0 HG2 PRO A 101 -19.153 -64.888 -34.787 1.00 74.21 H new ATOM 0 HG3 PRO A 101 -18.685 -65.044 -33.105 1.00 74.21 H new ATOM 0 HD2 PRO A 101 -18.604 -62.646 -34.393 1.00 0.24 H new ATOM 0 HD3 PRO A 101 -17.468 -63.039 -33.117 1.00 0.24 H new ATOM 1622 N ARG A 102 -16.051 -65.996 -37.527 1.00 55.41 N ATOM 1623 CA ARG A 102 -16.331 -66.391 -38.903 1.00 20.14 C ATOM 1624 C ARG A 102 -17.335 -67.539 -38.944 1.00 23.11 C ATOM 1625 O ARG A 102 -17.405 -68.349 -38.020 1.00 34.32 O ATOM 1626 CB ARG A 102 -15.038 -66.803 -39.610 1.00 50.34 C ATOM 1627 CG ARG A 102 -14.502 -68.152 -39.162 1.00 61.21 C ATOM 1628 CD ARG A 102 -13.007 -68.269 -39.416 1.00 13.24 C ATOM 1629 NE ARG A 102 -12.414 -69.390 -38.691 1.00 72.55 N ATOM 1630 CZ ARG A 102 -12.553 -70.658 -39.061 1.00 34.53 C ATOM 1631 NH1 ARG A 102 -13.259 -70.965 -40.140 1.00 74.03 N ATOM 1632 NH2 ARG A 102 -11.985 -71.624 -38.350 1.00 44.04 N ATOM 0 H ARG A 102 -15.273 -66.494 -37.095 1.00 55.41 H new ATOM 0 HA ARG A 102 -16.763 -65.535 -39.421 1.00 20.14 H new ATOM 0 HB2 ARG A 102 -15.215 -66.831 -40.685 1.00 50.34 H new ATOM 0 HB3 ARG A 102 -14.278 -66.042 -39.432 1.00 50.34 H new ATOM 0 HG2 ARG A 102 -14.704 -68.291 -38.100 1.00 61.21 H new ATOM 0 HG3 ARG A 102 -15.026 -68.947 -39.692 1.00 61.21 H new ATOM 0 HD2 ARG A 102 -12.830 -68.394 -40.484 1.00 13.24 H new ATOM 0 HD3 ARG A 102 -12.515 -67.343 -39.117 1.00 13.24 H new ATOM 0 HE ARG A 102 -11.864 -69.188 -37.856 1.00 72.55 H new ATOM 0 HH11 ARG A 102 -13.698 -70.226 -40.690 1.00 74.03 H new ATOM 0 HH12 ARG A 102 -13.363 -71.940 -40.421 1.00 74.03 H new ATOM 0 HH21 ARG A 102 -11.441 -71.393 -37.519 1.00 44.04 H new ATOM 0 HH22 ARG A 102 -12.092 -72.597 -38.635 1.00 44.04 H new ATOM 1646 N ASP A 103 -18.108 -67.603 -40.023 1.00 13.44 N ATOM 1647 CA ASP A 103 -19.108 -68.652 -40.186 1.00 5.12 C ATOM 1648 C ASP A 103 -18.895 -69.407 -41.495 1.00 53.43 C ATOM 1649 O ASP A 103 -18.162 -68.951 -42.372 1.00 2.34 O ATOM 1650 CB ASP A 103 -20.515 -68.056 -40.150 1.00 14.30 C ATOM 1651 CG ASP A 103 -20.908 -67.417 -41.468 1.00 32.01 C ATOM 1652 OD1 ASP A 103 -20.034 -66.800 -42.112 1.00 61.05 O ATOM 1653 OD2 ASP A 103 -22.089 -67.536 -41.855 1.00 31.23 O ATOM 0 H ASP A 103 -18.061 -66.941 -40.798 1.00 13.44 H new ATOM 0 HA ASP A 103 -18.999 -69.355 -39.360 1.00 5.12 H new ATOM 0 HB2 ASP A 103 -21.232 -68.839 -39.901 1.00 14.30 H new ATOM 0 HB3 ASP A 103 -20.570 -67.310 -39.357 1.00 14.30 H new ATOM 1658 N MET A 104 -19.540 -70.561 -41.618 1.00 23.32 N ATOM 1659 CA MET A 104 -19.421 -71.379 -42.820 1.00 51.21 C ATOM 1660 C MET A 104 -20.568 -71.095 -43.786 1.00 1.31 C ATOM 1661 O MET A 104 -21.688 -70.799 -43.366 1.00 3.31 O ATOM 1662 CB MET A 104 -19.404 -72.863 -42.453 1.00 24.13 C ATOM 1663 CG MET A 104 -19.234 -73.784 -43.651 1.00 41.53 C ATOM 1664 SD MET A 104 -19.957 -75.414 -43.383 1.00 44.22 S ATOM 1665 CE MET A 104 -20.036 -76.029 -45.064 1.00 13.11 C ATOM 0 H MET A 104 -20.151 -70.952 -40.901 1.00 23.32 H new ATOM 0 HA MET A 104 -18.483 -71.123 -43.312 1.00 51.21 H new ATOM 0 HB2 MET A 104 -18.593 -73.045 -41.747 1.00 24.13 H new ATOM 0 HB3 MET A 104 -20.334 -73.113 -41.942 1.00 24.13 H new ATOM 0 HG2 MET A 104 -19.696 -73.325 -44.525 1.00 41.53 H new ATOM 0 HG3 MET A 104 -18.172 -73.894 -43.872 1.00 41.53 H new ATOM 0 HE1 MET A 104 -20.463 -77.032 -45.065 1.00 13.11 H new ATOM 0 HE2 MET A 104 -20.661 -75.368 -45.664 1.00 13.11 H new ATOM 0 HE3 MET A 104 -19.032 -76.062 -45.487 1.00 13.11 H new TER 1675 MET A 104