USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1090 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 Single : A 8 GLN : amide:sc= -0.957! C(o=-0.96!,f=-4.3!) USER MOD Single : A 10 SER OG : rot 93:sc= 0.501 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= -0.851 (180deg=-1.55!) USER MOD Single : A 14 ASN : amide:sc= -8.22! C(o=-8.2!,f=-15!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 74:sc= 0.323 USER MOD Single : A 25 CYS SG : rot 71:sc= 0.4 USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.0416 (180deg=-0.509) USER MOD Single : A 29 TYR OH : rot 150:sc= -0.545 USER MOD Single : A 30 THR OG1 : rot 55:sc= -0.794! USER MOD Single : A 37 HIS : no HD1:sc= 0.221 K(o=0.22,f=-3.1!) USER MOD Single : A 41 GLN : amide:sc=-0.00571 X(o=-0.0057,f=-0.34) USER MOD Single : A 42 THR OG1 : rot 128:sc= 1.25 USER MOD Single : A 45 GLN : amide:sc= -0.51! K(o=-0.51!,f=-1.3) USER MOD Single : A 46 ASN : amide:sc= -12.7! C(o=-13!,f=-4.6!) USER MOD Single : A 48 CYS SG : rot 172:sc= -6.14! USER MOD Single : A 53 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 60 THR OG1 : rot -110:sc= -0.843 USER MOD Single : A 62 THR OG1 : rot -150:sc= -0.63 USER MOD Single : A 63 ASN : amide:sc= -1.73 K(o=-1.7,f=-2.9!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -5.2! C(o=-5.2!,f=-2.6!) USER MOD Single : A 72 SER OG : rot 170:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.19) USER MOD Single : A 77 GLN : amide:sc= -4.12 X(o=-4.1,f=-3.9!) USER MOD Single : A 79 GLN : amide:sc= -4.62! C(o=-4.6!,f=-2.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -138:sc= -1.03 (180deg=-3.65!) USER MOD Single : A 101 MET CE :methyl 155:sc= -0.273 (180deg=-2.01!) USER MOD Single : A 104 ASN : amide:sc= -0.0562 X(o=-0.056,f=-0.28) USER MOD Single : A 107 CYS SG : rot -132:sc= -13.3! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -5.06! C(o=-5.1!,f=-2.8!) USER MOD Single : A 122 MET CE :methyl -155:sc= -0.0837 (180deg=-0.884) USER MOD Single : A 124 CYS SG : rot 180:sc= -0.708 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 GLN : amide:sc= -1.06! K(o=-1.1!,f=-0.41) USER MOD Single : A 140 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.15) USER MOD Single : A 141 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -14.489 -25.765 7.018 1.00 0.00 N ATOM 2 CA VAL A 4 -14.234 -24.742 5.965 1.00 0.00 C ATOM 3 C VAL A 4 -13.768 -25.445 4.684 1.00 0.00 C ATOM 4 O VAL A 4 -13.277 -26.555 4.727 1.00 0.00 O ATOM 5 CB VAL A 4 -13.138 -23.789 6.455 1.00 0.00 C ATOM 6 CG1 VAL A 4 -13.117 -22.532 5.587 1.00 0.00 C ATOM 7 CG2 VAL A 4 -13.418 -23.394 7.909 1.00 0.00 C ATOM 0 HA VAL A 4 -15.145 -24.180 5.760 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.172 -24.290 6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.336 -21.859 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.917 -22.808 4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.083 -22.031 5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.639 -22.716 8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.386 -22.897 7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.428 -24.287 8.533 1.00 0.00 H new ATOM 17 N VAL A 5 -13.916 -24.822 3.543 1.00 0.00 N ATOM 18 CA VAL A 5 -13.472 -25.495 2.287 1.00 0.00 C ATOM 19 C VAL A 5 -11.944 -25.703 2.339 1.00 0.00 C ATOM 20 O VAL A 5 -11.219 -24.791 2.682 1.00 0.00 O ATOM 21 CB VAL A 5 -13.848 -24.624 1.073 1.00 0.00 C ATOM 22 CG1 VAL A 5 -12.894 -23.430 0.946 1.00 0.00 C ATOM 23 CG2 VAL A 5 -13.753 -25.471 -0.196 1.00 0.00 C ATOM 0 H VAL A 5 -14.318 -23.892 3.427 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.965 -26.463 2.191 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.863 -24.251 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.177 -22.828 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.952 -22.821 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.874 -23.792 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.018 -24.862 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.734 -25.841 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.439 -26.315 -0.123 1.00 0.00 H new ATOM 33 N PRO A 6 -11.441 -26.878 2.003 1.00 0.00 N ATOM 34 CA PRO A 6 -9.971 -27.139 2.027 1.00 0.00 C ATOM 35 C PRO A 6 -9.246 -26.522 0.827 1.00 0.00 C ATOM 36 O PRO A 6 -8.058 -26.698 0.656 1.00 0.00 O ATOM 37 CB PRO A 6 -9.871 -28.667 1.988 1.00 0.00 C ATOM 38 CG PRO A 6 -11.102 -29.120 1.270 1.00 0.00 C ATOM 39 CD PRO A 6 -12.192 -28.085 1.581 1.00 0.00 C ATOM 0 HA PRO A 6 -9.498 -26.693 2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.970 -28.990 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.825 -29.085 2.994 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.924 -29.185 0.197 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.403 -30.113 1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.810 -27.883 0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.859 -28.434 2.369 1.00 0.00 H new ATOM 47 N ASP A 7 -9.946 -25.817 -0.010 1.00 0.00 N ATOM 48 CA ASP A 7 -9.265 -25.217 -1.199 1.00 0.00 C ATOM 49 C ASP A 7 -8.509 -23.951 -0.787 1.00 0.00 C ATOM 50 O ASP A 7 -7.769 -23.378 -1.563 1.00 0.00 O ATOM 51 CB ASP A 7 -10.297 -24.904 -2.297 1.00 0.00 C ATOM 52 CG ASP A 7 -11.170 -23.692 -1.929 1.00 0.00 C ATOM 53 OD1 ASP A 7 -10.696 -22.814 -1.227 1.00 0.00 O ATOM 54 OD2 ASP A 7 -12.306 -23.663 -2.368 1.00 0.00 O ATOM 0 H ASP A 7 -10.945 -25.628 0.069 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.546 -25.933 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.780 -24.708 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.933 -25.775 -2.458 1.00 0.00 H new ATOM 59 N GLN A 8 -8.671 -23.513 0.435 1.00 0.00 N ATOM 60 CA GLN A 8 -7.943 -22.289 0.872 1.00 0.00 C ATOM 61 C GLN A 8 -6.484 -22.653 1.091 1.00 0.00 C ATOM 62 O GLN A 8 -5.593 -22.207 0.402 1.00 0.00 O ATOM 63 CB GLN A 8 -8.510 -21.822 2.211 1.00 0.00 C ATOM 64 CG GLN A 8 -10.000 -21.573 2.056 1.00 0.00 C ATOM 65 CD GLN A 8 -10.587 -21.075 3.375 1.00 0.00 C ATOM 66 OE1 GLN A 8 -9.939 -21.120 4.402 1.00 0.00 O ATOM 67 NE2 GLN A 8 -11.801 -20.603 3.387 1.00 0.00 N ATOM 0 H GLN A 8 -9.268 -23.945 1.140 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.047 -21.507 0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.332 -22.575 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.008 -20.911 2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.174 -20.838 1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.501 -22.492 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.343 -20.566 2.523 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.210 -20.270 4.260 1.00 0.00 H new ATOM 76 N ARG A 9 -6.261 -23.478 2.060 1.00 0.00 N ATOM 77 CA ARG A 9 -4.887 -23.931 2.391 1.00 0.00 C ATOM 78 C ARG A 9 -4.218 -24.578 1.183 1.00 0.00 C ATOM 79 O ARG A 9 -3.024 -24.488 1.003 1.00 0.00 O ATOM 80 CB ARG A 9 -4.976 -24.960 3.518 1.00 0.00 C ATOM 81 CG ARG A 9 -5.528 -24.293 4.774 1.00 0.00 C ATOM 82 CD ARG A 9 -5.419 -25.267 5.944 1.00 0.00 C ATOM 83 NE ARG A 9 -6.165 -24.727 7.109 1.00 0.00 N ATOM 84 CZ ARG A 9 -6.502 -25.522 8.085 1.00 0.00 C ATOM 85 NH1 ARG A 9 -6.190 -26.788 8.032 1.00 0.00 N ATOM 86 NH2 ARG A 9 -7.155 -25.046 9.111 1.00 0.00 N ATOM 0 H ARG A 9 -6.991 -23.870 2.655 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.293 -23.068 2.694 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.620 -25.787 3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.991 -25.380 3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.972 -23.381 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.568 -24.004 4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.821 -26.239 5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.372 -25.420 6.208 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.413 -23.738 7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.683 -27.155 7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.454 -27.411 8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.399 -24.056 9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.421 -25.664 9.878 1.00 0.00 H new ATOM 100 N SER A 10 -4.961 -25.286 0.391 1.00 0.00 N ATOM 101 CA SER A 10 -4.332 -25.994 -0.754 1.00 0.00 C ATOM 102 C SER A 10 -3.715 -25.032 -1.767 1.00 0.00 C ATOM 103 O SER A 10 -2.569 -25.170 -2.121 1.00 0.00 O ATOM 104 CB SER A 10 -5.371 -26.867 -1.451 1.00 0.00 C ATOM 105 OG SER A 10 -5.705 -27.960 -0.605 1.00 0.00 O ATOM 0 H SER A 10 -5.970 -25.407 0.483 1.00 0.00 H new ATOM 0 HA SER A 10 -3.526 -26.608 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.262 -26.282 -1.678 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.979 -27.233 -2.400 1.00 0.00 H new ATOM 0 HG SER A 10 -6.487 -27.727 -0.063 1.00 0.00 H new ATOM 111 N LYS A 11 -4.440 -24.080 -2.265 1.00 0.00 N ATOM 112 CA LYS A 11 -3.818 -23.180 -3.272 1.00 0.00 C ATOM 113 C LYS A 11 -2.662 -22.405 -2.646 1.00 0.00 C ATOM 114 O LYS A 11 -1.609 -22.261 -3.234 1.00 0.00 O ATOM 115 CB LYS A 11 -4.874 -22.215 -3.819 1.00 0.00 C ATOM 116 CG LYS A 11 -5.212 -21.165 -2.760 1.00 0.00 C ATOM 117 CD LYS A 11 -6.501 -20.434 -3.136 1.00 0.00 C ATOM 118 CE LYS A 11 -6.271 -19.596 -4.394 1.00 0.00 C ATOM 119 NZ LYS A 11 -7.416 -18.662 -4.578 1.00 0.00 N ATOM 0 H LYS A 11 -5.413 -23.885 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.424 -23.779 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.503 -21.729 -4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.772 -22.765 -4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.326 -21.643 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.393 -20.451 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.301 -21.154 -3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.820 -19.793 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.340 -19.036 -4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.172 -20.245 -5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.398 -18.277 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.309 -19.173 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.342 -17.883 -3.893 1.00 0.00 H new ATOM 133 N PHE A 12 -2.844 -21.894 -1.465 1.00 0.00 N ATOM 134 CA PHE A 12 -1.740 -21.125 -0.834 1.00 0.00 C ATOM 135 C PHE A 12 -0.486 -21.995 -0.627 1.00 0.00 C ATOM 136 O PHE A 12 0.620 -21.546 -0.828 1.00 0.00 O ATOM 137 CB PHE A 12 -2.183 -20.541 0.518 1.00 0.00 C ATOM 138 CG PHE A 12 -0.989 -19.861 1.172 1.00 0.00 C ATOM 139 CD1 PHE A 12 -0.702 -18.514 0.907 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.145 -20.595 2.021 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.417 -17.908 1.492 1.00 0.00 C ATOM 142 CE2 PHE A 12 0.970 -19.982 2.610 1.00 0.00 C ATOM 143 CZ PHE A 12 1.252 -18.640 2.345 1.00 0.00 C ATOM 0 H PHE A 12 -3.699 -21.973 -0.914 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.489 -20.312 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.992 -19.826 0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.568 -21.331 1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.344 -17.944 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.355 -21.635 2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.637 -16.871 1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.611 -20.548 3.269 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.112 -18.168 2.797 1.00 0.00 H new ATOM 153 N GLU A 13 -0.625 -23.209 -0.165 1.00 0.00 N ATOM 154 CA GLU A 13 0.605 -24.018 0.104 1.00 0.00 C ATOM 155 C GLU A 13 1.321 -24.480 -1.183 1.00 0.00 C ATOM 156 O GLU A 13 2.471 -24.871 -1.123 1.00 0.00 O ATOM 157 CB GLU A 13 0.261 -25.233 0.974 1.00 0.00 C ATOM 158 CG GLU A 13 -0.532 -26.258 0.168 1.00 0.00 C ATOM 159 CD GLU A 13 -1.030 -27.367 1.095 1.00 0.00 C ATOM 160 OE1 GLU A 13 -0.268 -28.283 1.356 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.166 -27.281 1.527 1.00 0.00 O ATOM 0 H GLU A 13 -1.513 -23.669 0.035 1.00 0.00 H new ATOM 0 HA GLU A 13 1.297 -23.363 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.176 -25.688 1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.319 -24.915 1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.376 -25.775 -0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.094 -26.681 -0.618 1.00 0.00 H new ATOM 168 N ASN A 14 0.681 -24.466 -2.337 1.00 0.00 N ATOM 169 CA ASN A 14 1.380 -24.943 -3.589 1.00 0.00 C ATOM 170 C ASN A 14 1.868 -23.765 -4.450 1.00 0.00 C ATOM 171 O ASN A 14 2.843 -23.886 -5.168 1.00 0.00 O ATOM 172 CB ASN A 14 0.430 -25.833 -4.398 1.00 0.00 C ATOM 173 CG ASN A 14 -0.938 -25.169 -4.509 1.00 0.00 C ATOM 174 OD1 ASN A 14 -1.037 -23.997 -4.803 1.00 0.00 O ATOM 175 ND2 ASN A 14 -2.005 -25.877 -4.268 1.00 0.00 N ATOM 0 H ASN A 14 -0.280 -24.151 -2.468 1.00 0.00 H new ATOM 0 HA ASN A 14 2.258 -25.517 -3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.840 -26.008 -5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.333 -26.807 -3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.927 -25.445 -4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.918 -26.863 -4.021 1.00 0.00 H new ATOM 182 N GLU A 15 1.232 -22.624 -4.392 1.00 0.00 N ATOM 183 CA GLU A 15 1.728 -21.474 -5.215 1.00 0.00 C ATOM 184 C GLU A 15 2.932 -20.823 -4.505 1.00 0.00 C ATOM 185 O GLU A 15 2.808 -20.273 -3.432 1.00 0.00 O ATOM 186 CB GLU A 15 0.602 -20.447 -5.420 1.00 0.00 C ATOM 187 CG GLU A 15 -0.459 -21.041 -6.354 1.00 0.00 C ATOM 188 CD GLU A 15 -1.655 -20.093 -6.468 1.00 0.00 C ATOM 189 OE1 GLU A 15 -2.328 -19.897 -5.470 1.00 0.00 O ATOM 190 OE2 GLU A 15 -1.883 -19.585 -7.552 1.00 0.00 O ATOM 0 H GLU A 15 0.406 -22.437 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 15 2.043 -21.835 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.154 -20.185 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.005 -19.528 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.029 -21.215 -7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.788 -22.008 -5.974 1.00 0.00 H new ATOM 197 N GLU A 16 4.098 -20.900 -5.107 1.00 0.00 N ATOM 198 CA GLU A 16 5.338 -20.304 -4.499 1.00 0.00 C ATOM 199 C GLU A 16 5.298 -18.773 -4.658 1.00 0.00 C ATOM 200 O GLU A 16 6.133 -18.054 -4.154 1.00 0.00 O ATOM 201 CB GLU A 16 6.572 -20.889 -5.216 1.00 0.00 C ATOM 202 CG GLU A 16 7.868 -20.511 -4.477 1.00 0.00 C ATOM 203 CD GLU A 16 9.081 -21.036 -5.251 1.00 0.00 C ATOM 204 OE1 GLU A 16 8.972 -22.099 -5.838 1.00 0.00 O ATOM 205 OE2 GLU A 16 10.103 -20.362 -5.245 1.00 0.00 O ATOM 0 H GLU A 16 4.246 -21.357 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 16 5.393 -20.543 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.484 -21.974 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.612 -20.519 -6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.934 -19.428 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.859 -20.930 -3.471 1.00 0.00 H new ATOM 212 N PHE A 17 4.340 -18.274 -5.384 1.00 0.00 N ATOM 213 CA PHE A 17 4.246 -16.796 -5.620 1.00 0.00 C ATOM 214 C PHE A 17 4.370 -15.986 -4.309 1.00 0.00 C ATOM 215 O PHE A 17 4.699 -14.813 -4.345 1.00 0.00 O ATOM 216 CB PHE A 17 2.887 -16.504 -6.327 1.00 0.00 C ATOM 217 CG PHE A 17 2.309 -15.160 -5.894 1.00 0.00 C ATOM 218 CD1 PHE A 17 2.922 -13.955 -6.270 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.166 -15.136 -5.080 1.00 0.00 C ATOM 220 CE1 PHE A 17 2.390 -12.733 -5.826 1.00 0.00 C ATOM 221 CE2 PHE A 17 0.636 -13.918 -4.647 1.00 0.00 C ATOM 222 CZ PHE A 17 1.247 -12.717 -5.015 1.00 0.00 C ATOM 0 H PHE A 17 3.608 -18.826 -5.831 1.00 0.00 H new ATOM 0 HA PHE A 17 5.078 -16.483 -6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.029 -16.509 -7.408 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.177 -17.298 -6.095 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.800 -13.967 -6.899 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.694 -16.062 -4.787 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.863 -11.804 -6.110 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.248 -13.905 -4.027 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.839 -11.777 -4.675 1.00 0.00 H new ATOM 232 N PHE A 18 4.092 -16.550 -3.167 1.00 0.00 N ATOM 233 CA PHE A 18 4.175 -15.717 -1.931 1.00 0.00 C ATOM 234 C PHE A 18 5.615 -15.350 -1.571 1.00 0.00 C ATOM 235 O PHE A 18 5.947 -14.191 -1.468 1.00 0.00 O ATOM 236 CB PHE A 18 3.561 -16.486 -0.769 1.00 0.00 C ATOM 237 CG PHE A 18 2.210 -16.965 -1.206 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.149 -16.057 -1.312 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.027 -18.304 -1.541 1.00 0.00 C ATOM 240 CE1 PHE A 18 -0.101 -16.499 -1.753 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.782 -18.742 -1.986 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.283 -17.843 -2.092 1.00 0.00 C ATOM 0 H PHE A 18 3.818 -17.524 -3.034 1.00 0.00 H new ATOM 0 HA PHE A 18 3.632 -14.792 -2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.194 -17.328 -0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.475 -15.847 0.110 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.296 -15.019 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.848 -19.001 -1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.924 -15.804 -1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.639 -19.779 -2.250 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.247 -18.187 -2.436 1.00 0.00 H new ATOM 252 N ARG A 19 6.472 -16.298 -1.358 1.00 0.00 N ATOM 253 CA ARG A 19 7.863 -15.947 -0.986 1.00 0.00 C ATOM 254 C ARG A 19 8.510 -15.105 -2.093 1.00 0.00 C ATOM 255 O ARG A 19 9.383 -14.307 -1.834 1.00 0.00 O ATOM 256 CB ARG A 19 8.687 -17.222 -0.718 1.00 0.00 C ATOM 257 CG ARG A 19 8.157 -18.381 -1.580 1.00 0.00 C ATOM 258 CD ARG A 19 7.074 -19.161 -0.814 1.00 0.00 C ATOM 259 NE ARG A 19 7.716 -20.233 -0.012 1.00 0.00 N ATOM 260 CZ ARG A 19 7.040 -20.819 0.933 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.812 -20.458 1.165 1.00 0.00 N ATOM 262 NH2 ARG A 19 7.590 -21.759 1.647 1.00 0.00 N ATOM 0 H ARG A 19 6.273 -17.296 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 19 7.843 -15.356 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.738 -17.040 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.630 -17.487 0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.745 -17.992 -2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.976 -19.049 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.517 -18.488 -0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.358 -19.593 -1.513 1.00 0.00 H new ATOM 0 HE ARG A 19 8.680 -20.508 -0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.384 -19.719 0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.277 -20.914 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.554 -22.038 1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.057 -22.216 2.387 1.00 0.00 H new ATOM 276 N LYS A 20 8.103 -15.267 -3.327 1.00 0.00 N ATOM 277 CA LYS A 20 8.743 -14.462 -4.410 1.00 0.00 C ATOM 278 C LYS A 20 8.548 -12.958 -4.159 1.00 0.00 C ATOM 279 O LYS A 20 9.450 -12.174 -4.389 1.00 0.00 O ATOM 280 CB LYS A 20 8.107 -14.827 -5.758 1.00 0.00 C ATOM 281 CG LYS A 20 8.433 -16.285 -6.111 1.00 0.00 C ATOM 282 CD LYS A 20 7.986 -16.593 -7.550 1.00 0.00 C ATOM 283 CE LYS A 20 8.307 -18.056 -7.882 1.00 0.00 C ATOM 284 NZ LYS A 20 7.831 -18.383 -9.259 1.00 0.00 N ATOM 0 H LYS A 20 7.370 -15.909 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 20 9.810 -14.684 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.027 -14.688 -5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.480 -14.163 -6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.504 -16.461 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.931 -16.957 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.917 -16.411 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.494 -15.930 -8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.381 -18.227 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.830 -18.715 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.052 -19.376 -9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.803 -18.237 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.306 -17.764 -9.947 1.00 0.00 H new ATOM 298 N LEU A 21 7.389 -12.545 -3.700 1.00 0.00 N ATOM 299 CA LEU A 21 7.145 -11.075 -3.458 1.00 0.00 C ATOM 300 C LEU A 21 6.537 -10.827 -2.073 1.00 0.00 C ATOM 301 O LEU A 21 6.563 -9.719 -1.569 1.00 0.00 O ATOM 302 CB LEU A 21 6.156 -10.553 -4.509 1.00 0.00 C ATOM 303 CG LEU A 21 6.744 -10.661 -5.924 1.00 0.00 C ATOM 304 CD1 LEU A 21 5.696 -10.178 -6.937 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.006 -9.787 -6.043 1.00 0.00 C ATOM 0 H LEU A 21 6.601 -13.155 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 21 8.104 -10.561 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.228 -11.122 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.907 -9.514 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 21 7.012 -11.698 -6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.104 -10.251 -7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.803 -10.799 -6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.436 -9.141 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.414 -9.872 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.749 -8.747 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.750 -10.123 -5.321 1.00 0.00 H new ATOM 317 N SER A 22 5.959 -11.821 -1.460 1.00 0.00 N ATOM 318 CA SER A 22 5.326 -11.597 -0.124 1.00 0.00 C ATOM 319 C SER A 22 6.388 -11.594 0.981 1.00 0.00 C ATOM 320 O SER A 22 6.209 -12.182 2.027 1.00 0.00 O ATOM 321 CB SER A 22 4.295 -12.696 0.146 1.00 0.00 C ATOM 322 OG SER A 22 4.927 -13.783 0.806 1.00 0.00 O ATOM 0 H SER A 22 5.896 -12.773 -1.820 1.00 0.00 H new ATOM 0 HA SER A 22 4.830 -10.627 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.483 -12.306 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.852 -13.033 -0.791 1.00 0.00 H new ATOM 0 HG SER A 22 5.105 -13.540 1.739 1.00 0.00 H new ATOM 328 N ARG A 23 7.492 -10.938 0.749 1.00 0.00 N ATOM 329 CA ARG A 23 8.590 -10.883 1.767 1.00 0.00 C ATOM 330 C ARG A 23 9.134 -9.454 1.877 1.00 0.00 C ATOM 331 O ARG A 23 8.639 -8.544 1.243 1.00 0.00 O ATOM 332 CB ARG A 23 9.708 -11.844 1.356 1.00 0.00 C ATOM 333 CG ARG A 23 9.234 -13.272 1.544 1.00 0.00 C ATOM 334 CD ARG A 23 10.398 -14.223 1.259 1.00 0.00 C ATOM 335 NE ARG A 23 10.956 -13.940 -0.095 1.00 0.00 N ATOM 336 CZ ARG A 23 12.143 -14.378 -0.418 1.00 0.00 C ATOM 337 NH1 ARG A 23 12.836 -15.073 0.441 1.00 0.00 N ATOM 338 NH2 ARG A 23 12.635 -14.125 -1.603 1.00 0.00 N ATOM 0 H ARG A 23 7.686 -10.429 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 23 8.199 -11.180 2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.985 -11.674 0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.599 -11.662 1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.869 -13.417 2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.401 -13.484 0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.173 -14.102 2.015 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.058 -15.257 1.314 1.00 0.00 H new ATOM 0 HE ARG A 23 10.410 -13.404 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.451 -15.274 1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.763 -15.416 0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.091 -13.585 -2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.562 -14.468 -1.854 1.00 0.00 H new ATOM 352 N GLU A 24 10.131 -9.247 2.705 1.00 0.00 N ATOM 353 CA GLU A 24 10.694 -7.871 2.862 1.00 0.00 C ATOM 354 C GLU A 24 11.189 -7.370 1.501 1.00 0.00 C ATOM 355 O GLU A 24 12.105 -7.919 0.923 1.00 0.00 O ATOM 356 CB GLU A 24 11.855 -7.881 3.875 1.00 0.00 C ATOM 357 CG GLU A 24 12.768 -9.100 3.648 1.00 0.00 C ATOM 358 CD GLU A 24 12.228 -10.322 4.400 1.00 0.00 C ATOM 359 OE1 GLU A 24 11.064 -10.306 4.761 1.00 0.00 O ATOM 360 OE2 GLU A 24 12.993 -11.250 4.604 1.00 0.00 O ATOM 0 H GLU A 24 10.575 -9.967 3.275 1.00 0.00 H new ATOM 0 HA GLU A 24 9.916 -7.204 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.435 -6.963 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.458 -7.902 4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.832 -9.320 2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.778 -8.873 3.988 1.00 0.00 H new ATOM 367 N CYS A 25 10.581 -6.332 0.974 1.00 0.00 N ATOM 368 CA CYS A 25 11.014 -5.796 -0.361 1.00 0.00 C ATOM 369 C CYS A 25 11.191 -4.274 -0.288 1.00 0.00 C ATOM 370 O CYS A 25 10.535 -3.600 0.479 1.00 0.00 O ATOM 371 CB CYS A 25 9.949 -6.138 -1.400 1.00 0.00 C ATOM 372 SG CYS A 25 9.939 -7.923 -1.680 1.00 0.00 S ATOM 0 H CYS A 25 9.805 -5.833 1.409 1.00 0.00 H new ATOM 0 HA CYS A 25 11.966 -6.246 -0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 25 8.969 -5.807 -1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.153 -5.613 -2.333 1.00 0.00 H new ATOM 0 HG CYS A 25 9.449 -8.523 -0.636 1.00 0.00 H new ATOM 378 N GLU A 26 12.066 -3.733 -1.096 1.00 0.00 N ATOM 379 CA GLU A 26 12.281 -2.258 -1.105 1.00 0.00 C ATOM 380 C GLU A 26 11.030 -1.608 -1.692 1.00 0.00 C ATOM 381 O GLU A 26 10.370 -2.203 -2.517 1.00 0.00 O ATOM 382 CB GLU A 26 13.496 -1.934 -1.976 1.00 0.00 C ATOM 383 CG GLU A 26 14.727 -2.640 -1.400 1.00 0.00 C ATOM 384 CD GLU A 26 15.994 -2.159 -2.112 1.00 0.00 C ATOM 385 OE1 GLU A 26 15.870 -1.413 -3.070 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.070 -2.554 -1.689 1.00 0.00 O ATOM 0 H GLU A 26 12.644 -4.255 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 26 12.461 -1.884 -0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.321 -2.259 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.660 -0.857 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.803 -2.440 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.624 -3.719 -1.515 1.00 0.00 H new ATOM 393 N ILE A 27 10.678 -0.405 -1.292 1.00 0.00 N ATOM 394 CA ILE A 27 9.445 0.226 -1.872 1.00 0.00 C ATOM 395 C ILE A 27 9.648 1.718 -2.128 1.00 0.00 C ATOM 396 O ILE A 27 10.336 2.417 -1.388 1.00 0.00 O ATOM 397 CB ILE A 27 8.262 0.030 -0.914 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.416 0.891 0.355 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.183 -1.432 -0.501 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.159 0.754 1.221 1.00 0.00 C ATOM 0 H ILE A 27 11.179 0.157 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 27 9.238 -0.259 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 27 7.355 0.334 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.294 0.575 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.571 1.935 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.343 -1.573 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.041 -2.053 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.108 -1.719 -0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.267 1.363 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.290 1.091 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.025 -0.290 1.505 1.00 0.00 H new ATOM 412 N LYS A 28 9.005 2.223 -3.152 1.00 0.00 N ATOM 413 CA LYS A 28 9.102 3.675 -3.460 1.00 0.00 C ATOM 414 C LYS A 28 7.791 4.154 -4.091 1.00 0.00 C ATOM 415 O LYS A 28 7.154 3.453 -4.852 1.00 0.00 O ATOM 416 CB LYS A 28 10.296 3.925 -4.397 1.00 0.00 C ATOM 417 CG LYS A 28 9.982 3.503 -5.842 1.00 0.00 C ATOM 418 CD LYS A 28 9.656 2.006 -5.911 1.00 0.00 C ATOM 419 CE LYS A 28 9.662 1.564 -7.377 1.00 0.00 C ATOM 420 NZ LYS A 28 8.730 2.428 -8.159 1.00 0.00 N ATOM 0 H LYS A 28 8.416 1.686 -3.788 1.00 0.00 H new ATOM 0 HA LYS A 28 9.265 4.240 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.560 4.982 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.164 3.372 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.139 4.082 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.834 3.725 -6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.389 1.434 -5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.682 1.811 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.670 1.635 -7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.359 0.520 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.469 1.946 -9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.874 2.611 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.197 3.330 -8.382 1.00 0.00 H new ATOM 434 N TYR A 29 7.387 5.348 -3.767 1.00 0.00 N ATOM 435 CA TYR A 29 6.119 5.896 -4.317 1.00 0.00 C ATOM 436 C TYR A 29 6.255 6.110 -5.823 1.00 0.00 C ATOM 437 O TYR A 29 7.336 6.307 -6.342 1.00 0.00 O ATOM 438 CB TYR A 29 5.807 7.210 -3.600 1.00 0.00 C ATOM 439 CG TYR A 29 4.540 7.822 -4.141 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.595 8.693 -5.234 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.312 7.531 -3.536 1.00 0.00 C ATOM 442 CE1 TYR A 29 3.418 9.274 -5.723 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.137 8.112 -4.028 1.00 0.00 C ATOM 444 CZ TYR A 29 2.193 8.984 -5.122 1.00 0.00 C ATOM 445 OH TYR A 29 1.038 9.555 -5.616 1.00 0.00 O ATOM 0 H TYR A 29 7.887 5.975 -3.137 1.00 0.00 H new ATOM 0 HA TYR A 29 5.300 5.196 -4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.703 7.031 -2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.636 7.906 -3.727 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.543 8.917 -5.700 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.271 6.859 -2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.459 9.947 -6.566 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.188 7.888 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 29 0.282 8.951 -5.460 1.00 0.00 H new ATOM 455 N THR A 30 5.163 6.039 -6.532 1.00 0.00 N ATOM 456 CA THR A 30 5.220 6.204 -8.008 1.00 0.00 C ATOM 457 C THR A 30 5.351 7.683 -8.356 1.00 0.00 C ATOM 458 O THR A 30 4.588 8.500 -7.904 1.00 0.00 O ATOM 459 CB THR A 30 3.931 5.662 -8.614 1.00 0.00 C ATOM 460 OG1 THR A 30 3.770 4.304 -8.234 1.00 0.00 O ATOM 461 CG2 THR A 30 3.998 5.762 -10.133 1.00 0.00 C ATOM 0 H THR A 30 4.232 5.873 -6.150 1.00 0.00 H new ATOM 0 HA THR A 30 6.079 5.662 -8.403 1.00 0.00 H new ATOM 0 HB THR A 30 3.085 6.246 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.806 4.231 -7.257 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.075 5.374 -10.564 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.124 6.805 -10.424 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.843 5.179 -10.499 1.00 0.00 H new ATOM 469 N GLY A 31 6.308 8.037 -9.160 1.00 0.00 N ATOM 470 CA GLY A 31 6.465 9.471 -9.521 1.00 0.00 C ATOM 471 C GLY A 31 7.809 9.668 -10.215 1.00 0.00 C ATOM 472 O GLY A 31 8.692 8.840 -10.117 1.00 0.00 O ATOM 0 H GLY A 31 6.985 7.402 -9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.653 9.784 -10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.409 10.092 -8.627 1.00 0.00 H new ATOM 476 N PHE A 32 7.978 10.760 -10.912 1.00 0.00 N ATOM 477 CA PHE A 32 9.277 11.008 -11.602 1.00 0.00 C ATOM 478 C PHE A 32 10.190 11.860 -10.710 1.00 0.00 C ATOM 479 O PHE A 32 9.937 13.027 -10.485 1.00 0.00 O ATOM 480 CB PHE A 32 9.014 11.762 -12.906 1.00 0.00 C ATOM 481 CG PHE A 32 8.409 10.826 -13.923 1.00 0.00 C ATOM 482 CD1 PHE A 32 9.225 9.897 -14.581 1.00 0.00 C ATOM 483 CD2 PHE A 32 7.041 10.890 -14.218 1.00 0.00 C ATOM 484 CE1 PHE A 32 8.673 9.030 -15.532 1.00 0.00 C ATOM 485 CE2 PHE A 32 6.491 10.025 -15.170 1.00 0.00 C ATOM 486 CZ PHE A 32 7.307 9.094 -15.828 1.00 0.00 C ATOM 0 H PHE A 32 7.275 11.489 -11.033 1.00 0.00 H new ATOM 0 HA PHE A 32 9.762 10.054 -11.809 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.341 12.600 -12.723 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.945 12.179 -13.290 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.280 9.849 -14.355 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.412 11.606 -13.711 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.302 8.312 -16.037 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.437 10.074 -15.398 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.881 8.427 -16.563 1.00 0.00 H new ATOM 496 N ARG A 33 11.257 11.291 -10.220 1.00 0.00 N ATOM 497 CA ARG A 33 12.214 12.061 -9.362 1.00 0.00 C ATOM 498 C ARG A 33 12.845 13.198 -10.164 1.00 0.00 C ATOM 499 O ARG A 33 13.764 13.845 -9.706 1.00 0.00 O ATOM 500 CB ARG A 33 13.327 11.146 -8.865 1.00 0.00 C ATOM 501 CG ARG A 33 12.748 9.996 -8.042 1.00 0.00 C ATOM 502 CD ARG A 33 13.906 9.249 -7.374 1.00 0.00 C ATOM 503 NE ARG A 33 13.425 7.976 -6.775 1.00 0.00 N ATOM 504 CZ ARG A 33 14.285 7.040 -6.472 1.00 0.00 C ATOM 505 NH1 ARG A 33 15.554 7.210 -6.732 1.00 0.00 N ATOM 506 NH2 ARG A 33 13.880 5.930 -5.920 1.00 0.00 N ATOM 0 H ARG A 33 11.513 10.316 -10.377 1.00 0.00 H new ATOM 0 HA ARG A 33 11.660 12.467 -8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.885 10.749 -9.713 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.031 11.716 -8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.059 10.378 -7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.180 9.321 -8.681 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.685 9.042 -8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.354 9.875 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 33 12.430 7.834 -6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.873 8.073 -7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.225 6.479 -6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.889 5.790 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.554 5.202 -5.685 1.00 0.00 H new ATOM 520 N ASP A 34 12.399 13.433 -11.365 1.00 0.00 N ATOM 521 CA ASP A 34 13.024 14.514 -12.170 1.00 0.00 C ATOM 522 C ASP A 34 12.569 15.856 -11.607 1.00 0.00 C ATOM 523 O ASP A 34 13.114 16.896 -11.926 1.00 0.00 O ATOM 524 CB ASP A 34 12.575 14.396 -13.627 1.00 0.00 C ATOM 525 CG ASP A 34 13.386 15.366 -14.486 1.00 0.00 C ATOM 526 OD1 ASP A 34 14.239 16.043 -13.935 1.00 0.00 O ATOM 527 OD2 ASP A 34 13.146 15.409 -15.682 1.00 0.00 O ATOM 0 H ASP A 34 11.637 12.929 -11.819 1.00 0.00 H new ATOM 0 HA ASP A 34 14.110 14.433 -12.125 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.715 13.375 -13.981 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.512 14.620 -13.711 1.00 0.00 H new ATOM 532 N ARG A 35 11.590 15.830 -10.743 1.00 0.00 N ATOM 533 CA ARG A 35 11.109 17.091 -10.122 1.00 0.00 C ATOM 534 C ARG A 35 12.056 17.418 -8.962 1.00 0.00 C ATOM 535 O ARG A 35 12.483 16.524 -8.259 1.00 0.00 O ATOM 536 CB ARG A 35 9.678 16.904 -9.589 1.00 0.00 C ATOM 537 CG ARG A 35 8.756 16.385 -10.702 1.00 0.00 C ATOM 538 CD ARG A 35 8.671 17.398 -11.847 1.00 0.00 C ATOM 539 NE ARG A 35 9.843 17.231 -12.749 1.00 0.00 N ATOM 540 CZ ARG A 35 9.830 17.777 -13.934 1.00 0.00 C ATOM 541 NH1 ARG A 35 8.821 18.520 -14.294 1.00 0.00 N ATOM 542 NH2 ARG A 35 10.825 17.588 -14.756 1.00 0.00 N ATOM 0 H ARG A 35 11.103 14.986 -10.442 1.00 0.00 H new ATOM 0 HA ARG A 35 11.097 17.899 -10.853 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.683 16.202 -8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.299 17.852 -9.206 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.131 15.433 -11.078 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.760 16.198 -10.300 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.746 17.254 -12.405 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.648 18.412 -11.448 1.00 0.00 H new ATOM 0 HE ARG A 35 10.653 16.692 -12.442 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.045 18.673 -13.650 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.808 18.948 -15.220 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.617 17.011 -14.473 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.811 18.017 -15.681 1.00 0.00 H new ATOM 556 N PRO A 36 12.405 18.669 -8.756 1.00 0.00 N ATOM 557 CA PRO A 36 13.328 19.050 -7.651 1.00 0.00 C ATOM 558 C PRO A 36 13.018 18.310 -6.338 1.00 0.00 C ATOM 559 O PRO A 36 12.078 17.542 -6.242 1.00 0.00 O ATOM 560 CB PRO A 36 13.085 20.556 -7.485 1.00 0.00 C ATOM 561 CG PRO A 36 12.659 21.038 -8.838 1.00 0.00 C ATOM 562 CD PRO A 36 11.983 19.849 -9.542 1.00 0.00 C ATOM 0 HA PRO A 36 14.361 18.792 -7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.316 20.750 -6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.989 21.066 -7.152 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.970 21.878 -8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.517 21.389 -9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.898 19.955 -9.548 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.302 19.769 -10.581 1.00 0.00 H new ATOM 570 N HIS A 37 13.796 18.561 -5.325 1.00 0.00 N ATOM 571 CA HIS A 37 13.554 17.902 -4.010 1.00 0.00 C ATOM 572 C HIS A 37 12.158 18.256 -3.528 1.00 0.00 C ATOM 573 O HIS A 37 11.650 17.674 -2.593 1.00 0.00 O ATOM 574 CB HIS A 37 14.568 18.409 -2.991 1.00 0.00 C ATOM 575 CG HIS A 37 15.920 17.875 -3.343 1.00 0.00 C ATOM 576 ND1 HIS A 37 16.179 16.516 -3.404 1.00 0.00 N ATOM 577 CD2 HIS A 37 17.091 18.500 -3.679 1.00 0.00 C ATOM 578 CE1 HIS A 37 17.463 16.367 -3.770 1.00 0.00 C ATOM 579 NE2 HIS A 37 18.067 17.545 -3.949 1.00 0.00 N ATOM 0 H HIS A 37 14.593 19.197 -5.349 1.00 0.00 H new ATOM 0 HA HIS A 37 13.652 16.822 -4.121 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.583 19.499 -2.985 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.286 18.089 -1.988 1.00 0.00 H new ATOM 0 HD2 HIS A 37 17.235 19.569 -3.727 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.948 15.411 -3.903 1.00 0.00 H new ATOM 0 HE2 HIS A 37 19.035 17.709 -4.224 1.00 0.00 H new ATOM 587 N GLU A 38 11.530 19.197 -4.167 1.00 0.00 N ATOM 588 CA GLU A 38 10.157 19.577 -3.758 1.00 0.00 C ATOM 589 C GLU A 38 9.258 18.362 -3.919 1.00 0.00 C ATOM 590 O GLU A 38 8.113 18.358 -3.514 1.00 0.00 O ATOM 591 CB GLU A 38 9.645 20.722 -4.633 1.00 0.00 C ATOM 592 CG GLU A 38 9.474 20.233 -6.085 1.00 0.00 C ATOM 593 CD GLU A 38 8.066 19.663 -6.294 1.00 0.00 C ATOM 594 OE1 GLU A 38 7.128 20.241 -5.772 1.00 0.00 O ATOM 595 OE2 GLU A 38 7.951 18.657 -6.975 1.00 0.00 O ATOM 0 H GLU A 38 11.910 19.720 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 38 10.157 19.911 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.693 21.088 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.344 21.557 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.646 21.058 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.219 19.470 -6.309 1.00 0.00 H new ATOM 602 N GLU A 39 9.770 17.332 -4.531 1.00 0.00 N ATOM 603 CA GLU A 39 8.955 16.117 -4.739 1.00 0.00 C ATOM 604 C GLU A 39 8.727 15.418 -3.405 1.00 0.00 C ATOM 605 O GLU A 39 7.716 14.792 -3.194 1.00 0.00 O ATOM 606 CB GLU A 39 9.719 15.171 -5.671 1.00 0.00 C ATOM 607 CG GLU A 39 10.992 14.671 -4.971 1.00 0.00 C ATOM 608 CD GLU A 39 11.834 13.867 -5.959 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.499 12.715 -6.187 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.801 14.410 -6.463 1.00 0.00 O ATOM 0 H GLU A 39 10.722 17.285 -4.895 1.00 0.00 H new ATOM 0 HA GLU A 39 7.994 16.388 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.087 14.326 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.979 15.687 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.566 15.516 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.729 14.052 -4.113 1.00 0.00 H new ATOM 617 N ARG A 40 9.658 15.490 -2.497 1.00 0.00 N ATOM 618 CA ARG A 40 9.436 14.776 -1.214 1.00 0.00 C ATOM 619 C ARG A 40 8.187 15.325 -0.520 1.00 0.00 C ATOM 620 O ARG A 40 7.301 14.580 -0.155 1.00 0.00 O ATOM 621 CB ARG A 40 10.669 14.915 -0.294 1.00 0.00 C ATOM 622 CG ARG A 40 10.800 16.352 0.239 1.00 0.00 C ATOM 623 CD ARG A 40 12.155 16.539 0.930 1.00 0.00 C ATOM 624 NE ARG A 40 13.255 16.391 -0.066 1.00 0.00 N ATOM 625 CZ ARG A 40 14.485 16.674 0.272 1.00 0.00 C ATOM 626 NH1 ARG A 40 14.741 17.139 1.462 1.00 0.00 N ATOM 627 NH2 ARG A 40 15.458 16.510 -0.579 1.00 0.00 N ATOM 0 H ARG A 40 10.539 15.997 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 40 9.286 13.717 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.584 14.220 0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.570 14.644 -0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.701 17.062 -0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.993 16.562 0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.203 17.524 1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.272 15.804 1.726 1.00 0.00 H new ATOM 0 HE ARG A 40 13.047 16.069 -1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.982 17.282 2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.701 17.360 1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.262 16.159 -1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.416 16.733 -0.308 1.00 0.00 H new ATOM 641 N GLN A 41 8.095 16.620 -0.345 1.00 0.00 N ATOM 642 CA GLN A 41 6.898 17.195 0.337 1.00 0.00 C ATOM 643 C GLN A 41 5.689 17.217 -0.593 1.00 0.00 C ATOM 644 O GLN A 41 4.599 16.846 -0.210 1.00 0.00 O ATOM 645 CB GLN A 41 7.231 18.609 0.818 1.00 0.00 C ATOM 646 CG GLN A 41 7.610 19.487 -0.377 1.00 0.00 C ATOM 647 CD GLN A 41 8.194 20.811 0.118 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.070 20.831 0.961 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.740 21.930 -0.379 1.00 0.00 N ATOM 0 H GLN A 41 8.794 17.300 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 41 6.641 16.567 1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.374 19.037 1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.054 18.576 1.532 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.337 18.970 -1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.732 19.675 -0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.005 21.913 -1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.120 22.821 -0.060 1.00 0.00 H new ATOM 658 N THR A 42 5.856 17.650 -1.809 1.00 0.00 N ATOM 659 CA THR A 42 4.688 17.690 -2.720 1.00 0.00 C ATOM 660 C THR A 42 4.126 16.289 -2.908 1.00 0.00 C ATOM 661 O THR A 42 2.929 16.107 -2.974 1.00 0.00 O ATOM 662 CB THR A 42 5.086 18.241 -4.087 1.00 0.00 C ATOM 663 OG1 THR A 42 5.676 19.526 -3.927 1.00 0.00 O ATOM 664 CG2 THR A 42 3.833 18.350 -4.956 1.00 0.00 C ATOM 0 H THR A 42 6.739 17.973 -2.205 1.00 0.00 H new ATOM 0 HA THR A 42 3.936 18.340 -2.273 1.00 0.00 H new ATOM 0 HB THR A 42 5.807 17.577 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.543 19.547 -4.384 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.103 18.743 -5.936 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.383 17.364 -5.071 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.118 19.021 -4.481 1.00 0.00 H new ATOM 672 N ARG A 43 4.960 15.289 -3.011 1.00 0.00 N ATOM 673 CA ARG A 43 4.395 13.931 -3.220 1.00 0.00 C ATOM 674 C ARG A 43 3.500 13.516 -2.042 1.00 0.00 C ATOM 675 O ARG A 43 2.439 12.964 -2.249 1.00 0.00 O ATOM 676 CB ARG A 43 5.509 12.891 -3.452 1.00 0.00 C ATOM 677 CG ARG A 43 6.083 13.052 -4.878 1.00 0.00 C ATOM 678 CD ARG A 43 7.080 11.927 -5.160 1.00 0.00 C ATOM 679 NE ARG A 43 7.934 12.285 -6.342 1.00 0.00 N ATOM 680 CZ ARG A 43 7.420 12.597 -7.507 1.00 0.00 C ATOM 681 NH1 ARG A 43 6.145 12.447 -7.739 1.00 0.00 N ATOM 682 NH2 ARG A 43 8.200 13.016 -8.463 1.00 0.00 N ATOM 0 H ARG A 43 5.977 15.351 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 43 3.778 13.967 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.301 13.021 -2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.113 11.884 -3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.276 13.029 -5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.574 14.020 -4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.708 11.758 -4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.546 10.997 -5.354 1.00 0.00 H new ATOM 0 HE ARG A 43 8.948 12.285 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.533 12.083 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.760 12.694 -8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.204 13.100 -8.302 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.807 13.260 -9.372 1.00 0.00 H new ATOM 696 N PHE A 44 3.888 13.763 -0.815 1.00 0.00 N ATOM 697 CA PHE A 44 3.004 13.343 0.319 1.00 0.00 C ATOM 698 C PHE A 44 1.662 14.076 0.301 1.00 0.00 C ATOM 699 O PHE A 44 0.624 13.471 0.456 1.00 0.00 O ATOM 700 CB PHE A 44 3.693 13.604 1.660 1.00 0.00 C ATOM 701 CG PHE A 44 4.881 12.681 1.789 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.694 11.294 1.838 1.00 0.00 C ATOM 703 CD2 PHE A 44 6.169 13.213 1.833 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.799 10.444 1.938 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.272 12.364 1.925 1.00 0.00 C ATOM 706 CZ PHE A 44 7.089 10.980 1.979 1.00 0.00 C ATOM 0 H PHE A 44 4.758 14.226 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 44 2.817 12.276 0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 44 4.015 14.643 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.995 13.437 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.697 10.881 1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.313 14.283 1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.656 9.374 1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.269 12.777 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.944 10.325 2.052 1.00 0.00 H new ATOM 716 N GLN A 45 1.674 15.373 0.147 1.00 0.00 N ATOM 717 CA GLN A 45 0.391 16.144 0.165 1.00 0.00 C ATOM 718 C GLN A 45 -0.418 15.935 -1.112 1.00 0.00 C ATOM 719 O GLN A 45 -1.547 15.490 -1.070 1.00 0.00 O ATOM 720 CB GLN A 45 0.684 17.644 0.347 1.00 0.00 C ATOM 721 CG GLN A 45 1.764 18.129 -0.652 1.00 0.00 C ATOM 722 CD GLN A 45 2.622 19.220 -0.002 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.393 20.396 -0.203 1.00 0.00 O ATOM 724 NE2 GLN A 45 3.604 18.865 0.784 1.00 0.00 N ATOM 0 H GLN A 45 2.515 15.934 0.009 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.202 15.774 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.232 18.216 0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.019 17.831 1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.393 17.292 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.290 18.516 -1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.793 17.876 0.950 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.182 19.577 1.232 1.00 0.00 H new ATOM 733 N ASN A 46 0.126 16.278 -2.239 1.00 0.00 N ATOM 734 CA ASN A 46 -0.657 16.129 -3.494 1.00 0.00 C ATOM 735 C ASN A 46 -1.095 14.669 -3.693 1.00 0.00 C ATOM 736 O ASN A 46 -2.144 14.400 -4.247 1.00 0.00 O ATOM 737 CB ASN A 46 0.171 16.624 -4.693 1.00 0.00 C ATOM 738 CG ASN A 46 1.112 15.529 -5.203 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.401 15.460 -6.380 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.606 14.670 -4.366 1.00 0.00 N ATOM 0 H ASN A 46 1.069 16.652 -2.349 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.558 16.739 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.497 16.937 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.751 17.500 -4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.236 13.939 -4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.365 14.726 -3.376 1.00 0.00 H new ATOM 747 N ALA A 47 -0.332 13.708 -3.251 1.00 0.00 N ATOM 748 CA ALA A 47 -0.780 12.303 -3.461 1.00 0.00 C ATOM 749 C ALA A 47 -1.780 11.946 -2.373 1.00 0.00 C ATOM 750 O ALA A 47 -2.755 11.271 -2.617 1.00 0.00 O ATOM 751 CB ALA A 47 0.409 11.348 -3.397 1.00 0.00 C ATOM 0 H ALA A 47 0.558 13.828 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.242 12.212 -4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.064 10.326 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.128 11.610 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.886 11.425 -2.420 1.00 0.00 H new ATOM 757 N CYS A 48 -1.571 12.416 -1.184 1.00 0.00 N ATOM 758 CA CYS A 48 -2.536 12.111 -0.101 1.00 0.00 C ATOM 759 C CYS A 48 -3.937 12.630 -0.469 1.00 0.00 C ATOM 760 O CYS A 48 -4.920 11.961 -0.218 1.00 0.00 O ATOM 761 CB CYS A 48 -2.052 12.741 1.204 1.00 0.00 C ATOM 762 SG CYS A 48 -0.834 11.642 1.974 1.00 0.00 S ATOM 0 H CYS A 48 -0.777 12.996 -0.914 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.601 11.031 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.608 13.717 1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.893 12.903 1.879 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.297 12.238 2.997 1.00 0.00 H new ATOM 768 N ARG A 49 -4.070 13.786 -1.078 1.00 0.00 N ATOM 769 CA ARG A 49 -5.454 14.231 -1.433 1.00 0.00 C ATOM 770 C ARG A 49 -6.043 13.167 -2.359 1.00 0.00 C ATOM 771 O ARG A 49 -7.160 12.723 -2.180 1.00 0.00 O ATOM 772 CB ARG A 49 -5.429 15.588 -2.144 1.00 0.00 C ATOM 773 CG ARG A 49 -4.279 15.626 -3.148 1.00 0.00 C ATOM 774 CD ARG A 49 -4.262 16.977 -3.858 1.00 0.00 C ATOM 775 NE ARG A 49 -5.615 17.261 -4.440 1.00 0.00 N ATOM 776 CZ ARG A 49 -6.174 16.449 -5.298 1.00 0.00 C ATOM 777 NH1 ARG A 49 -5.474 15.509 -5.869 1.00 0.00 N ATOM 778 NH2 ARG A 49 -7.419 16.624 -5.648 1.00 0.00 N ATOM 0 H ARG A 49 -3.312 14.418 -1.336 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.056 14.348 -0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.376 15.758 -2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.313 16.389 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.331 15.461 -2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.392 14.823 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.985 17.764 -3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.510 16.974 -4.647 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.110 18.107 -4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.484 15.404 -5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.916 14.879 -6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.957 17.395 -5.252 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.854 15.990 -6.318 1.00 0.00 H new ATOM 792 N ASP A 50 -5.266 12.685 -3.293 1.00 0.00 N ATOM 793 CA ASP A 50 -5.741 11.576 -4.162 1.00 0.00 C ATOM 794 C ASP A 50 -5.280 10.305 -3.455 1.00 0.00 C ATOM 795 O ASP A 50 -4.195 9.807 -3.648 1.00 0.00 O ATOM 796 CB ASP A 50 -5.138 11.666 -5.577 1.00 0.00 C ATOM 797 CG ASP A 50 -3.619 11.827 -5.520 1.00 0.00 C ATOM 798 OD1 ASP A 50 -2.944 10.841 -5.277 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.153 12.929 -5.752 1.00 0.00 O ATOM 0 H ASP A 50 -4.321 13.015 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.822 11.607 -4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.390 10.768 -6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.576 12.510 -6.109 1.00 0.00 H new ATOM 804 N GLY A 51 -6.095 9.823 -2.585 1.00 0.00 N ATOM 805 CA GLY A 51 -5.732 8.628 -1.768 1.00 0.00 C ATOM 806 C GLY A 51 -5.510 7.402 -2.648 1.00 0.00 C ATOM 807 O GLY A 51 -5.286 6.318 -2.154 1.00 0.00 O ATOM 0 H GLY A 51 -7.021 10.206 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.828 8.837 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.524 8.423 -1.048 1.00 0.00 H new ATOM 811 N ARG A 52 -5.530 7.553 -3.944 1.00 0.00 N ATOM 812 CA ARG A 52 -5.277 6.370 -4.816 1.00 0.00 C ATOM 813 C ARG A 52 -3.765 6.341 -5.082 1.00 0.00 C ATOM 814 O ARG A 52 -3.290 6.767 -6.114 1.00 0.00 O ATOM 815 CB ARG A 52 -6.037 6.555 -6.133 1.00 0.00 C ATOM 816 CG ARG A 52 -7.533 6.698 -5.830 1.00 0.00 C ATOM 817 CD ARG A 52 -8.331 6.822 -7.133 1.00 0.00 C ATOM 818 NE ARG A 52 -8.329 5.518 -7.849 1.00 0.00 N ATOM 819 CZ ARG A 52 -9.241 5.264 -8.745 1.00 0.00 C ATOM 820 NH1 ARG A 52 -10.113 6.180 -9.076 1.00 0.00 N ATOM 821 NH2 ARG A 52 -9.267 4.096 -9.321 1.00 0.00 N ATOM 0 H ARG A 52 -5.708 8.431 -4.432 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.608 5.441 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.673 7.439 -6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.866 5.702 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.880 5.834 -5.264 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.702 7.576 -5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.355 7.127 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.895 7.596 -7.765 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.613 4.822 -7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.082 7.098 -8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.825 5.977 -9.778 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.577 3.388 -9.070 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.977 3.889 -10.023 1.00 0.00 H new ATOM 835 N SER A 53 -3.014 5.865 -4.119 1.00 0.00 N ATOM 836 CA SER A 53 -1.524 5.825 -4.249 1.00 0.00 C ATOM 837 C SER A 53 -1.063 4.648 -5.102 1.00 0.00 C ATOM 838 O SER A 53 -1.614 3.570 -5.031 1.00 0.00 O ATOM 839 CB SER A 53 -0.896 5.689 -2.863 1.00 0.00 C ATOM 840 OG SER A 53 0.520 5.671 -2.989 1.00 0.00 O ATOM 0 H SER A 53 -3.375 5.498 -3.238 1.00 0.00 H new ATOM 0 HA SER A 53 -1.210 6.751 -4.732 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.206 6.519 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.242 4.774 -2.383 1.00 0.00 H new ATOM 0 HG SER A 53 0.926 5.586 -2.101 1.00 0.00 H new ATOM 846 N GLU A 54 -0.015 4.838 -5.865 1.00 0.00 N ATOM 847 CA GLU A 54 0.545 3.726 -6.685 1.00 0.00 C ATOM 848 C GLU A 54 1.992 3.511 -6.230 1.00 0.00 C ATOM 849 O GLU A 54 2.745 4.451 -6.076 1.00 0.00 O ATOM 850 CB GLU A 54 0.503 4.108 -8.169 1.00 0.00 C ATOM 851 CG GLU A 54 -0.946 4.363 -8.587 1.00 0.00 C ATOM 852 CD GLU A 54 -1.002 4.704 -10.078 1.00 0.00 C ATOM 853 OE1 GLU A 54 -0.103 5.380 -10.544 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.945 4.282 -10.725 1.00 0.00 O ATOM 0 H GLU A 54 0.479 5.726 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.034 2.812 -6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.106 4.999 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.932 3.309 -8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.554 3.481 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.365 5.181 -8.001 1.00 0.00 H new ATOM 861 N ILE A 55 2.387 2.291 -5.990 1.00 0.00 N ATOM 862 CA ILE A 55 3.784 2.035 -5.520 1.00 0.00 C ATOM 863 C ILE A 55 4.244 0.670 -6.008 1.00 0.00 C ATOM 864 O ILE A 55 3.445 -0.181 -6.346 1.00 0.00 O ATOM 865 CB ILE A 55 3.821 2.108 -3.988 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.125 1.491 -3.431 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.621 1.356 -3.410 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.435 2.028 -2.020 1.00 0.00 C ATOM 0 H ILE A 55 1.806 1.459 -6.098 1.00 0.00 H new ATOM 0 HA ILE A 55 4.459 2.790 -5.924 1.00 0.00 H new ATOM 0 HB ILE A 55 3.782 3.158 -3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.032 0.405 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.954 1.720 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.648 1.409 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.698 1.810 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.660 0.313 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.357 1.577 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.552 3.111 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.616 1.776 -1.347 1.00 0.00 H new ATOM 880 N ALA A 56 5.535 0.457 -6.064 1.00 0.00 N ATOM 881 CA ALA A 56 6.046 -0.864 -6.557 1.00 0.00 C ATOM 882 C ALA A 56 7.312 -1.310 -5.819 1.00 0.00 C ATOM 883 O ALA A 56 7.955 -0.553 -5.110 1.00 0.00 O ATOM 884 CB ALA A 56 6.354 -0.755 -8.057 1.00 0.00 C ATOM 0 H ALA A 56 6.252 1.130 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 56 5.272 -1.609 -6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.726 -1.712 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.445 -0.489 -8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.110 0.014 -8.218 1.00 0.00 H new ATOM 890 N PHE A 57 7.669 -2.559 -6.021 1.00 0.00 N ATOM 891 CA PHE A 57 8.896 -3.127 -5.387 1.00 0.00 C ATOM 892 C PHE A 57 10.083 -2.880 -6.332 1.00 0.00 C ATOM 893 O PHE A 57 10.007 -3.170 -7.503 1.00 0.00 O ATOM 894 CB PHE A 57 8.727 -4.646 -5.222 1.00 0.00 C ATOM 895 CG PHE A 57 7.627 -4.969 -4.228 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.732 -4.544 -2.900 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.512 -5.723 -4.629 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.727 -4.863 -1.975 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.508 -6.042 -3.704 1.00 0.00 C ATOM 900 CZ PHE A 57 5.617 -5.612 -2.380 1.00 0.00 C ATOM 0 H PHE A 57 7.152 -3.214 -6.607 1.00 0.00 H new ATOM 0 HA PHE A 57 9.062 -2.661 -4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.493 -5.096 -6.187 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.666 -5.085 -4.885 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.590 -3.968 -2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.428 -6.058 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.810 -4.531 -0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.651 -6.620 -4.015 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.843 -5.858 -1.668 1.00 0.00 H new ATOM 910 N VAL A 58 11.170 -2.339 -5.858 1.00 0.00 N ATOM 911 CA VAL A 58 12.321 -2.093 -6.785 1.00 0.00 C ATOM 912 C VAL A 58 12.834 -3.414 -7.378 1.00 0.00 C ATOM 913 O VAL A 58 13.184 -3.489 -8.539 1.00 0.00 O ATOM 914 CB VAL A 58 13.452 -1.380 -6.049 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.625 -1.168 -7.011 1.00 0.00 C ATOM 916 CG2 VAL A 58 12.941 -0.029 -5.544 1.00 0.00 C ATOM 0 H VAL A 58 11.315 -2.059 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 58 11.972 -1.459 -7.600 1.00 0.00 H new ATOM 0 HB VAL A 58 13.787 -1.981 -5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.436 -0.659 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.977 -2.134 -7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.298 -0.560 -7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.742 0.489 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.614 0.575 -6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.103 -0.188 -4.866 1.00 0.00 H new ATOM 926 N ALA A 59 12.909 -4.442 -6.581 1.00 0.00 N ATOM 927 CA ALA A 59 13.415 -5.757 -7.076 1.00 0.00 C ATOM 928 C ALA A 59 12.558 -6.284 -8.235 1.00 0.00 C ATOM 929 O ALA A 59 13.070 -6.836 -9.186 1.00 0.00 O ATOM 930 CB ALA A 59 13.373 -6.752 -5.919 1.00 0.00 C ATOM 0 H ALA A 59 12.639 -4.430 -5.597 1.00 0.00 H new ATOM 0 HA ALA A 59 14.433 -5.631 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.739 -7.721 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.003 -6.391 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.347 -6.855 -5.565 1.00 0.00 H new ATOM 936 N THR A 60 11.255 -6.130 -8.151 1.00 0.00 N ATOM 937 CA THR A 60 10.345 -6.635 -9.241 1.00 0.00 C ATOM 938 C THR A 60 9.561 -5.476 -9.860 1.00 0.00 C ATOM 939 O THR A 60 9.217 -4.526 -9.196 1.00 0.00 O ATOM 940 CB THR A 60 9.357 -7.640 -8.660 1.00 0.00 C ATOM 941 OG1 THR A 60 10.077 -8.643 -7.961 1.00 0.00 O ATOM 942 CG2 THR A 60 8.556 -8.276 -9.803 1.00 0.00 C ATOM 0 H THR A 60 10.778 -5.675 -7.373 1.00 0.00 H new ATOM 0 HA THR A 60 10.956 -7.110 -10.009 1.00 0.00 H new ATOM 0 HB THR A 60 8.672 -7.140 -7.975 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.021 -9.489 -8.453 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.847 -8.996 -9.394 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.014 -7.500 -10.343 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.237 -8.785 -10.485 1.00 0.00 H new ATOM 950 N GLY A 61 9.270 -5.553 -11.130 1.00 0.00 N ATOM 951 CA GLY A 61 8.497 -4.457 -11.784 1.00 0.00 C ATOM 952 C GLY A 61 7.022 -4.552 -11.369 1.00 0.00 C ATOM 953 O GLY A 61 6.169 -3.885 -11.921 1.00 0.00 O ATOM 0 H GLY A 61 9.533 -6.325 -11.742 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.905 -3.488 -11.496 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.586 -4.531 -12.868 1.00 0.00 H new ATOM 957 N THR A 62 6.719 -5.381 -10.406 1.00 0.00 N ATOM 958 CA THR A 62 5.305 -5.536 -9.952 1.00 0.00 C ATOM 959 C THR A 62 4.853 -4.263 -9.236 1.00 0.00 C ATOM 960 O THR A 62 5.604 -3.674 -8.484 1.00 0.00 O ATOM 961 CB THR A 62 5.242 -6.725 -8.985 1.00 0.00 C ATOM 962 OG1 THR A 62 5.686 -7.893 -9.663 1.00 0.00 O ATOM 963 CG2 THR A 62 3.807 -6.941 -8.474 1.00 0.00 C ATOM 0 H THR A 62 7.395 -5.962 -9.910 1.00 0.00 H new ATOM 0 HA THR A 62 4.650 -5.709 -10.806 1.00 0.00 H new ATOM 0 HB THR A 62 5.883 -6.518 -8.128 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.236 -8.679 -9.289 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.788 -7.790 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.468 -6.046 -7.952 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.146 -7.140 -9.318 1.00 0.00 H new ATOM 971 N ASN A 63 3.635 -3.824 -9.464 1.00 0.00 N ATOM 972 CA ASN A 63 3.137 -2.576 -8.794 1.00 0.00 C ATOM 973 C ASN A 63 1.776 -2.839 -8.158 1.00 0.00 C ATOM 974 O ASN A 63 0.862 -3.315 -8.804 1.00 0.00 O ATOM 975 CB ASN A 63 2.990 -1.461 -9.840 1.00 0.00 C ATOM 976 CG ASN A 63 2.690 -0.119 -9.160 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.551 0.735 -9.070 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.501 0.101 -8.667 1.00 0.00 N ATOM 0 H ASN A 63 2.964 -4.276 -10.085 1.00 0.00 H new ATOM 0 HA ASN A 63 3.848 -2.275 -8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.906 -1.381 -10.426 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.188 -1.710 -10.535 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.296 0.988 -8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.778 -0.614 -8.742 1.00 0.00 H new ATOM 985 N LEU A 64 1.632 -2.511 -6.898 1.00 0.00 N ATOM 986 CA LEU A 64 0.323 -2.710 -6.203 1.00 0.00 C ATOM 987 C LEU A 64 -0.290 -1.331 -5.972 1.00 0.00 C ATOM 988 O LEU A 64 0.347 -0.439 -5.447 1.00 0.00 O ATOM 989 CB LEU A 64 0.548 -3.420 -4.845 1.00 0.00 C ATOM 990 CG LEU A 64 0.403 -4.942 -5.006 1.00 0.00 C ATOM 991 CD1 LEU A 64 1.548 -5.476 -5.869 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.448 -5.613 -3.627 1.00 0.00 C ATOM 0 H LEU A 64 2.370 -2.112 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.340 -3.329 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.540 -3.181 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.172 -3.055 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.550 -5.165 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.445 -6.555 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.515 -5.003 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.501 -5.251 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.345 -6.692 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.399 -5.389 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.368 -5.235 -3.012 1.00 0.00 H new ATOM 1004 N SER A 65 -1.524 -1.154 -6.362 1.00 0.00 N ATOM 1005 CA SER A 65 -2.202 0.163 -6.168 1.00 0.00 C ATOM 1006 C SER A 65 -3.279 -0.005 -5.110 1.00 0.00 C ATOM 1007 O SER A 65 -3.934 -1.025 -5.044 1.00 0.00 O ATOM 1008 CB SER A 65 -2.840 0.609 -7.485 1.00 0.00 C ATOM 1009 OG SER A 65 -3.878 -0.294 -7.846 1.00 0.00 O ATOM 0 H SER A 65 -2.096 -1.870 -6.810 1.00 0.00 H new ATOM 0 HA SER A 65 -1.480 0.916 -5.852 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.242 1.617 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.086 0.645 -8.272 1.00 0.00 H new ATOM 0 HG SER A 65 -4.285 -0.004 -8.689 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.472 0.981 -4.274 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.520 0.848 -3.212 1.00 0.00 C ATOM 1017 C LEU A 66 -5.223 2.190 -2.979 1.00 0.00 C ATOM 1018 O LEU A 66 -4.843 3.219 -3.516 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.891 0.319 -1.906 1.00 0.00 C ATOM 1020 CG LEU A 66 -2.424 0.778 -1.776 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.978 0.607 -0.315 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -1.486 -0.039 -2.710 1.00 0.00 C ATOM 0 H LEU A 66 -2.959 1.862 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.269 0.130 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.465 0.676 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.938 -0.770 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.359 1.825 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.942 0.929 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.613 1.212 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.063 -0.441 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.460 0.311 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.541 -1.095 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.798 0.094 -3.746 1.00 0.00 H new ATOM 1034 N GLN A 67 -6.281 2.168 -2.201 1.00 0.00 N ATOM 1035 CA GLN A 67 -7.061 3.413 -1.939 1.00 0.00 C ATOM 1036 C GLN A 67 -7.495 3.452 -0.469 1.00 0.00 C ATOM 1037 O GLN A 67 -8.370 2.720 -0.051 1.00 0.00 O ATOM 1038 CB GLN A 67 -8.315 3.397 -2.825 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.923 3.091 -4.274 1.00 0.00 C ATOM 1040 CD GLN A 67 -9.124 3.318 -5.193 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -10.249 3.383 -4.740 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.928 3.453 -6.477 1.00 0.00 N ATOM 0 H GLN A 67 -6.637 1.333 -1.735 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.446 4.286 -2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.018 2.647 -2.463 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.822 4.361 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.094 3.730 -4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.579 2.060 -4.358 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.983 3.398 -6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.720 3.613 -7.100 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.896 4.316 0.313 1.00 0.00 N ATOM 1052 CA PHE A 68 -7.278 4.422 1.760 1.00 0.00 C ATOM 1053 C PHE A 68 -8.399 5.451 1.923 1.00 0.00 C ATOM 1054 O PHE A 68 -9.543 5.117 2.164 1.00 0.00 O ATOM 1055 CB PHE A 68 -6.053 4.860 2.594 1.00 0.00 C ATOM 1056 CG PHE A 68 -5.101 5.649 1.729 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -4.289 4.969 0.823 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -5.018 7.047 1.839 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -3.390 5.676 0.020 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -4.114 7.756 1.037 1.00 0.00 C ATOM 1061 CZ PHE A 68 -3.300 7.070 0.126 1.00 0.00 C ATOM 0 H PHE A 68 -6.158 4.954 0.014 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.624 3.449 2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.376 5.465 3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.548 3.985 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.355 3.894 0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.649 7.574 2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.764 5.147 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.045 8.830 1.121 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.604 7.615 -0.494 1.00 0.00 H new ATOM 1071 N PHE A 69 -8.065 6.702 1.799 1.00 0.00 N ATOM 1072 CA PHE A 69 -9.079 7.789 1.950 1.00 0.00 C ATOM 1073 C PHE A 69 -8.739 8.941 1.000 1.00 0.00 C ATOM 1074 O PHE A 69 -8.066 9.876 1.386 1.00 0.00 O ATOM 1075 CB PHE A 69 -9.042 8.316 3.389 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.990 9.495 3.522 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -11.368 9.312 3.344 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.489 10.774 3.815 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -12.240 10.403 3.458 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.362 11.863 3.930 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.738 11.677 3.750 1.00 0.00 C ATOM 0 H PHE A 69 -7.119 7.026 1.596 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.068 7.395 1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.327 7.526 4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.028 8.620 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.758 8.330 3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.427 10.918 3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.302 10.261 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.974 12.845 4.157 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.412 12.516 3.836 1.00 0.00 H new ATOM 1091 N PRO A 70 -9.191 8.897 -0.226 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.907 9.978 -1.201 1.00 0.00 C ATOM 1093 C PRO A 70 -9.932 11.111 -1.090 1.00 0.00 C ATOM 1094 O PRO A 70 -11.061 10.891 -0.696 1.00 0.00 O ATOM 1095 CB PRO A 70 -9.027 9.252 -2.539 1.00 0.00 C ATOM 1096 CG PRO A 70 -10.114 8.248 -2.317 1.00 0.00 C ATOM 1097 CD PRO A 70 -10.018 7.834 -0.834 1.00 0.00 C ATOM 0 HA PRO A 70 -7.939 10.457 -1.050 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.280 9.941 -3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.090 8.769 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.091 8.676 -2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.987 7.385 -2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -11.002 7.778 -0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.556 6.853 -0.721 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.564 12.325 -1.413 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.557 13.427 -1.295 1.00 0.00 C ATOM 1107 C ALA A 71 -11.750 13.119 -2.190 1.00 0.00 C ATOM 1108 O ALA A 71 -12.884 13.146 -1.758 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.923 14.745 -1.750 1.00 0.00 C ATOM 0 H ALA A 71 -8.638 12.594 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.878 13.516 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.653 15.549 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.060 14.969 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.604 14.656 -2.789 1.00 0.00 H new ATOM 1115 N SER A 72 -11.496 12.805 -3.434 1.00 0.00 N ATOM 1116 CA SER A 72 -12.614 12.478 -4.373 1.00 0.00 C ATOM 1117 C SER A 72 -12.033 12.063 -5.732 1.00 0.00 C ATOM 1118 O SER A 72 -11.029 12.591 -6.173 1.00 0.00 O ATOM 1119 CB SER A 72 -13.520 13.703 -4.561 1.00 0.00 C ATOM 1120 OG SER A 72 -14.771 13.282 -5.087 1.00 0.00 O ATOM 0 H SER A 72 -10.562 12.760 -3.842 1.00 0.00 H new ATOM 0 HA SER A 72 -13.201 11.660 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.665 14.212 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.050 14.418 -5.236 1.00 0.00 H new ATOM 0 HG SER A 72 -15.406 14.028 -5.058 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.658 11.125 -6.402 1.00 0.00 N ATOM 1127 CA TRP A 73 -12.142 10.687 -7.737 1.00 0.00 C ATOM 1128 C TRP A 73 -12.646 11.653 -8.820 1.00 0.00 C ATOM 1129 O TRP A 73 -12.087 12.713 -9.013 1.00 0.00 O ATOM 1130 CB TRP A 73 -12.605 9.251 -8.033 1.00 0.00 C ATOM 1131 CG TRP A 73 -11.967 8.752 -9.297 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -10.642 8.809 -9.576 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -12.596 8.103 -10.449 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -10.423 8.257 -10.823 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -11.594 7.809 -11.402 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -13.924 7.756 -10.758 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -11.893 7.188 -12.614 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -14.231 7.129 -11.977 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -13.217 6.849 -12.904 1.00 0.00 C ATOM 0 H TRP A 73 -13.500 10.645 -6.084 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.052 10.701 -7.731 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.342 8.597 -7.201 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -13.690 9.223 -8.129 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.881 9.219 -8.929 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.506 8.188 -11.264 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.713 7.973 -10.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.108 6.971 -13.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.253 6.861 -12.201 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -13.459 6.371 -13.842 1.00 0.00 H new ATOM 1150 N GLN A 74 -13.699 11.322 -9.524 1.00 0.00 N ATOM 1151 CA GLN A 74 -14.210 12.268 -10.564 1.00 0.00 C ATOM 1152 C GLN A 74 -15.088 13.322 -9.896 1.00 0.00 C ATOM 1153 O GLN A 74 -15.613 14.205 -10.543 1.00 0.00 O ATOM 1154 CB GLN A 74 -15.035 11.517 -11.613 1.00 0.00 C ATOM 1155 CG GLN A 74 -14.108 10.674 -12.489 1.00 0.00 C ATOM 1156 CD GLN A 74 -13.300 11.585 -13.418 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -12.084 11.594 -13.374 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -13.925 12.356 -14.269 1.00 0.00 N ATOM 0 H GLN A 74 -14.221 10.451 -9.427 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.361 12.743 -11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -15.769 10.878 -11.123 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.589 12.225 -12.229 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.435 10.089 -11.863 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.693 9.966 -13.077 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -14.944 12.351 -14.309 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -13.393 12.963 -14.893 1.00 0.00 H new ATOM 1167 N GLY A 75 -15.263 13.237 -8.606 1.00 0.00 N ATOM 1168 CA GLY A 75 -16.121 14.233 -7.905 1.00 0.00 C ATOM 1169 C GLY A 75 -15.317 15.496 -7.620 1.00 0.00 C ATOM 1170 O GLY A 75 -14.192 15.639 -8.059 1.00 0.00 O ATOM 0 H GLY A 75 -14.849 12.522 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.989 14.474 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.496 13.811 -6.972 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.881 16.415 -6.884 1.00 0.00 N ATOM 1175 CA GLU A 76 -15.137 17.669 -6.577 1.00 0.00 C ATOM 1176 C GLU A 76 -14.210 17.415 -5.395 1.00 0.00 C ATOM 1177 O GLU A 76 -14.610 17.430 -4.247 1.00 0.00 O ATOM 1178 CB GLU A 76 -16.126 18.797 -6.250 1.00 0.00 C ATOM 1179 CG GLU A 76 -17.288 18.267 -5.399 1.00 0.00 C ATOM 1180 CD GLU A 76 -18.181 19.434 -4.969 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -17.665 20.534 -4.832 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -19.366 19.212 -4.785 1.00 0.00 O ATOM 0 H GLU A 76 -16.818 16.353 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.546 17.971 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.611 19.595 -5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.512 19.229 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.869 17.542 -5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.903 17.748 -4.522 1.00 0.00 H new ATOM 1189 N GLN A 77 -12.964 17.170 -5.677 1.00 0.00 N ATOM 1190 CA GLN A 77 -11.992 16.902 -4.586 1.00 0.00 C ATOM 1191 C GLN A 77 -11.711 18.185 -3.809 1.00 0.00 C ATOM 1192 O GLN A 77 -11.848 19.285 -4.311 1.00 0.00 O ATOM 1193 CB GLN A 77 -10.678 16.349 -5.165 1.00 0.00 C ATOM 1194 CG GLN A 77 -10.444 16.903 -6.571 1.00 0.00 C ATOM 1195 CD GLN A 77 -10.519 18.433 -6.551 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -9.636 19.090 -6.030 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -11.544 19.031 -7.095 1.00 0.00 N ATOM 0 H GLN A 77 -12.576 17.144 -6.620 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.422 16.161 -3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.845 16.619 -4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.716 15.260 -5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.469 16.583 -6.939 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.191 16.503 -7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.283 18.480 -7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.606 20.049 -7.084 1.00 0.00 H new ATOM 1206 N ARG A 78 -11.286 18.029 -2.588 1.00 0.00 N ATOM 1207 CA ARG A 78 -10.950 19.203 -1.740 1.00 0.00 C ATOM 1208 C ARG A 78 -9.434 19.405 -1.812 1.00 0.00 C ATOM 1209 O ARG A 78 -8.683 18.463 -1.981 1.00 0.00 O ATOM 1210 CB ARG A 78 -11.364 18.924 -0.291 1.00 0.00 C ATOM 1211 CG ARG A 78 -12.870 18.638 -0.199 1.00 0.00 C ATOM 1212 CD ARG A 78 -13.674 19.847 -0.692 1.00 0.00 C ATOM 1213 NE ARG A 78 -15.079 19.762 -0.177 1.00 0.00 N ATOM 1214 CZ ARG A 78 -15.829 18.716 -0.395 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -15.432 17.772 -1.204 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -17.012 18.648 0.155 1.00 0.00 N ATOM 0 H ARG A 78 -11.156 17.124 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.474 20.093 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.803 18.072 0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.113 19.780 0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.117 17.761 -0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.141 18.409 0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.206 20.771 -0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.677 19.875 -1.782 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.459 20.543 0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.529 17.848 -1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.025 16.958 -1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.343 19.408 0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.605 17.835 -0.010 1.00 0.00 H new ATOM 1230 N GLN A 79 -8.982 20.620 -1.716 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.520 20.883 -1.812 1.00 0.00 C ATOM 1232 C GLN A 79 -6.811 20.485 -0.517 1.00 0.00 C ATOM 1233 O GLN A 79 -5.597 20.515 -0.426 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.297 22.372 -2.092 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.957 23.228 -0.998 1.00 0.00 C ATOM 1236 CD GLN A 79 -9.460 23.355 -1.270 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.869 24.091 -2.145 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -10.307 22.651 -0.566 1.00 0.00 N ATOM 0 H GLN A 79 -9.563 21.447 -1.575 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.104 20.286 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.229 22.585 -2.134 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.712 22.632 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.793 22.774 -0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.499 24.217 -0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.968 22.032 0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.307 22.721 -0.753 1.00 0.00 H new ATOM 1247 N THR A 80 -7.552 20.090 0.476 1.00 0.00 N ATOM 1248 CA THR A 80 -6.912 19.670 1.749 1.00 0.00 C ATOM 1249 C THR A 80 -6.448 18.216 1.589 1.00 0.00 C ATOM 1250 O THR A 80 -7.162 17.406 1.032 1.00 0.00 O ATOM 1251 CB THR A 80 -7.931 19.759 2.888 1.00 0.00 C ATOM 1252 OG1 THR A 80 -7.259 19.556 4.122 1.00 0.00 O ATOM 1253 CG2 THR A 80 -9.014 18.688 2.710 1.00 0.00 C ATOM 0 H THR A 80 -8.571 20.040 0.462 1.00 0.00 H new ATOM 0 HA THR A 80 -6.066 20.317 1.981 1.00 0.00 H new ATOM 0 HB THR A 80 -8.404 20.741 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.903 19.613 4.858 1.00 0.00 H new ATOM 0 HG21 THR A 80 -9.734 18.760 3.525 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.525 18.842 1.760 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.554 17.700 2.718 1.00 0.00 H new ATOM 1261 N PRO A 81 -5.277 17.867 2.052 1.00 0.00 N ATOM 1262 CA PRO A 81 -4.773 16.474 1.909 1.00 0.00 C ATOM 1263 C PRO A 81 -5.488 15.500 2.857 1.00 0.00 C ATOM 1264 O PRO A 81 -6.457 15.845 3.503 1.00 0.00 O ATOM 1265 CB PRO A 81 -3.294 16.602 2.276 1.00 0.00 C ATOM 1266 CG PRO A 81 -3.247 17.736 3.245 1.00 0.00 C ATOM 1267 CD PRO A 81 -4.305 18.729 2.762 1.00 0.00 C ATOM 0 HA PRO A 81 -4.944 16.070 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.915 15.683 2.722 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.683 16.806 1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.461 17.396 4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.258 18.195 3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.769 19.259 3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.878 19.483 2.101 1.00 0.00 H new ATOM 1275 N SER A 82 -5.001 14.287 2.949 1.00 0.00 N ATOM 1276 CA SER A 82 -5.631 13.292 3.865 1.00 0.00 C ATOM 1277 C SER A 82 -5.021 13.471 5.248 1.00 0.00 C ATOM 1278 O SER A 82 -3.841 13.253 5.458 1.00 0.00 O ATOM 1279 CB SER A 82 -5.367 11.866 3.367 1.00 0.00 C ATOM 1280 OG SER A 82 -5.886 10.934 4.309 1.00 0.00 O ATOM 0 H SER A 82 -4.194 13.945 2.428 1.00 0.00 H new ATOM 0 HA SER A 82 -6.709 13.450 3.898 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.835 11.716 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.297 11.708 3.234 1.00 0.00 H new ATOM 0 HG SER A 82 -5.720 10.022 3.992 1.00 0.00 H new ATOM 1286 N ARG A 83 -5.817 13.873 6.187 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.314 14.089 7.567 1.00 0.00 C ATOM 1288 C ARG A 83 -4.735 12.786 8.104 1.00 0.00 C ATOM 1289 O ARG A 83 -3.825 12.781 8.907 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.475 14.548 8.440 1.00 0.00 C ATOM 1291 CG ARG A 83 -5.941 14.989 9.808 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.102 15.235 10.778 1.00 0.00 C ATOM 1293 NE ARG A 83 -7.928 16.366 10.289 1.00 0.00 N ATOM 1294 CZ ARG A 83 -9.136 16.533 10.745 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -9.586 15.768 11.701 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -9.890 17.471 10.250 1.00 0.00 N ATOM 0 H ARG A 83 -6.810 14.065 6.058 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.532 14.848 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.001 15.373 7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.195 13.739 8.562 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.277 14.224 10.211 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.350 15.898 9.699 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.713 14.336 10.865 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.717 15.456 11.773 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.550 17.012 9.596 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.991 15.038 12.092 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.533 15.900 12.057 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.534 18.073 9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.837 17.605 10.605 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.255 11.681 7.671 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.726 10.386 8.160 1.00 0.00 C ATOM 1312 C GLU A 84 -3.227 10.303 7.872 1.00 0.00 C ATOM 1313 O GLU A 84 -2.476 9.720 8.619 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.444 9.236 7.453 1.00 0.00 C ATOM 1315 CG GLU A 84 -6.935 9.299 7.782 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.666 8.145 7.093 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.000 7.324 6.481 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -8.880 8.096 7.201 1.00 0.00 O ATOM 0 H GLU A 84 -6.022 11.617 7.001 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.895 10.312 9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.294 9.305 6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.029 8.280 7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.082 9.242 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.349 10.252 7.454 1.00 0.00 H new ATOM 1325 N TYR A 85 -2.783 10.862 6.781 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.330 10.788 6.451 1.00 0.00 C ATOM 1327 C TYR A 85 -0.508 11.656 7.419 1.00 0.00 C ATOM 1328 O TYR A 85 0.598 11.307 7.784 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.138 11.196 4.962 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.373 12.504 4.776 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.973 12.598 5.154 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.000 13.602 4.170 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.687 13.783 4.927 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.289 14.789 3.949 1.00 0.00 C ATOM 1335 CZ TYR A 85 1.055 14.878 4.324 1.00 0.00 C ATOM 1336 OH TYR A 85 1.760 16.047 4.099 1.00 0.00 O ATOM 0 H TYR A 85 -3.359 11.365 6.106 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.962 9.769 6.575 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.608 10.398 4.442 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.117 11.288 4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.462 11.756 5.621 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.036 13.533 3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.725 13.852 5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.779 15.635 3.489 1.00 0.00 H new ATOM 0 HH TYR A 85 1.173 16.706 3.672 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.030 12.774 7.842 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.258 13.648 8.782 1.00 0.00 C ATOM 1348 C VAL A 86 -0.546 13.245 10.220 1.00 0.00 C ATOM 1349 O VAL A 86 -0.003 13.808 11.151 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.622 15.127 8.553 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.074 16.011 9.598 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.162 15.558 7.153 1.00 0.00 C ATOM 0 H VAL A 86 -1.953 13.123 7.582 1.00 0.00 H new ATOM 0 HA VAL A 86 0.808 13.521 8.590 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.702 15.240 8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.191 17.054 9.426 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.247 15.715 10.597 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.154 15.892 9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.420 16.605 6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.918 15.433 7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.657 14.942 6.402 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.359 12.254 10.424 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.631 11.811 11.822 1.00 0.00 C ATOM 1364 C ASP A 87 -0.623 10.723 12.164 1.00 0.00 C ATOM 1365 O ASP A 87 -0.564 10.231 13.272 1.00 0.00 O ATOM 1366 CB ASP A 87 -3.073 11.269 11.937 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.197 9.827 11.400 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.229 9.304 10.871 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.275 9.270 11.533 1.00 0.00 O ATOM 0 H ASP A 87 -1.845 11.733 9.695 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.534 12.646 12.516 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.387 11.295 12.980 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.750 11.921 11.384 1.00 0.00 H new ATOM 1374 N LEU A 88 0.179 10.356 11.195 1.00 0.00 N ATOM 1375 CA LEU A 88 1.209 9.304 11.411 1.00 0.00 C ATOM 1376 C LEU A 88 2.563 9.832 10.977 1.00 0.00 C ATOM 1377 O LEU A 88 3.571 9.163 11.098 1.00 0.00 O ATOM 1378 CB LEU A 88 0.842 8.030 10.629 1.00 0.00 C ATOM 1379 CG LEU A 88 0.335 8.362 9.203 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.512 8.527 8.248 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.545 7.215 8.692 1.00 0.00 C ATOM 0 H LEU A 88 0.160 10.748 10.254 1.00 0.00 H new ATOM 0 HA LEU A 88 1.252 9.048 12.470 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.714 7.379 10.563 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.073 7.479 11.170 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.236 9.290 9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.141 8.760 7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.152 9.338 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.086 7.601 8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.901 7.449 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.037 6.294 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.397 7.085 9.359 1.00 0.00 H new ATOM 1393 N GLU A 89 2.606 11.044 10.498 1.00 0.00 N ATOM 1394 CA GLU A 89 3.907 11.624 10.089 1.00 0.00 C ATOM 1395 C GLU A 89 4.505 12.313 11.320 1.00 0.00 C ATOM 1396 O GLU A 89 5.702 12.422 11.463 1.00 0.00 O ATOM 1397 CB GLU A 89 3.679 12.593 8.912 1.00 0.00 C ATOM 1398 CG GLU A 89 3.413 14.023 9.403 1.00 0.00 C ATOM 1399 CD GLU A 89 4.734 14.736 9.712 1.00 0.00 C ATOM 1400 OE1 GLU A 89 5.780 14.158 9.455 1.00 0.00 O ATOM 1401 OE2 GLU A 89 4.676 15.852 10.203 1.00 0.00 O ATOM 0 H GLU A 89 1.797 11.653 10.374 1.00 0.00 H new ATOM 0 HA GLU A 89 4.608 10.866 9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.553 12.588 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.834 12.249 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.862 14.578 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.789 13.997 10.296 1.00 0.00 H new ATOM 1408 N ARG A 90 3.669 12.739 12.235 1.00 0.00 N ATOM 1409 CA ARG A 90 4.191 13.364 13.481 1.00 0.00 C ATOM 1410 C ARG A 90 4.844 12.291 14.361 1.00 0.00 C ATOM 1411 O ARG A 90 5.612 12.587 15.252 1.00 0.00 O ATOM 1412 CB ARG A 90 3.075 14.051 14.282 1.00 0.00 C ATOM 1413 CG ARG A 90 2.481 15.222 13.484 1.00 0.00 C ATOM 1414 CD ARG A 90 1.774 16.181 14.444 1.00 0.00 C ATOM 1415 NE ARG A 90 0.994 15.394 15.456 1.00 0.00 N ATOM 1416 CZ ARG A 90 0.037 14.591 15.095 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -0.377 14.587 13.857 1.00 0.00 N ATOM 1418 NH2 ARG A 90 -0.541 13.827 15.986 1.00 0.00 N ATOM 0 H ARG A 90 2.653 12.680 12.170 1.00 0.00 H new ATOM 0 HA ARG A 90 4.922 14.119 13.191 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.292 13.330 14.518 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.471 14.414 15.231 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.269 15.746 12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.777 14.850 12.740 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.505 16.814 14.946 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.107 16.841 13.889 1.00 0.00 H new ATOM 0 HE ARG A 90 1.219 15.491 16.446 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.050 15.213 13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.128 13.958 13.572 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.241 13.862 16.960 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.292 13.196 15.707 1.00 0.00 H new ATOM 1432 N GLU A 91 4.497 11.047 14.149 1.00 0.00 N ATOM 1433 CA GLU A 91 5.049 9.946 15.013 1.00 0.00 C ATOM 1434 C GLU A 91 6.462 9.521 14.571 1.00 0.00 C ATOM 1435 O GLU A 91 7.443 10.177 14.874 1.00 0.00 O ATOM 1436 CB GLU A 91 4.090 8.749 14.936 1.00 0.00 C ATOM 1437 CG GLU A 91 4.456 7.678 15.978 1.00 0.00 C ATOM 1438 CD GLU A 91 3.976 8.106 17.369 1.00 0.00 C ATOM 1439 OE1 GLU A 91 2.777 8.082 17.593 1.00 0.00 O ATOM 1440 OE2 GLU A 91 4.814 8.444 18.189 1.00 0.00 O ATOM 0 H GLU A 91 3.856 10.741 13.417 1.00 0.00 H new ATOM 0 HA GLU A 91 5.132 10.310 16.037 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.067 9.087 15.102 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.124 8.315 13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.002 6.725 15.706 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.535 7.525 15.989 1.00 0.00 H new ATOM 1447 N ALA A 92 6.576 8.419 13.878 1.00 0.00 N ATOM 1448 CA ALA A 92 7.913 7.934 13.440 1.00 0.00 C ATOM 1449 C ALA A 92 8.608 8.993 12.585 1.00 0.00 C ATOM 1450 O ALA A 92 9.778 8.877 12.277 1.00 0.00 O ATOM 1451 CB ALA A 92 7.737 6.664 12.607 1.00 0.00 C ATOM 0 H ALA A 92 5.792 7.831 13.595 1.00 0.00 H new ATOM 0 HA ALA A 92 8.521 7.729 14.321 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.713 6.303 12.283 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.249 5.898 13.210 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.123 6.884 11.734 1.00 0.00 H new ATOM 1457 N GLY A 93 7.896 10.003 12.170 1.00 0.00 N ATOM 1458 CA GLY A 93 8.526 11.040 11.304 1.00 0.00 C ATOM 1459 C GLY A 93 8.495 10.507 9.884 1.00 0.00 C ATOM 1460 O GLY A 93 9.232 10.936 9.019 1.00 0.00 O ATOM 0 H GLY A 93 6.912 10.156 12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.984 11.983 11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.550 11.237 11.620 1.00 0.00 H new ATOM 1464 N LYS A 94 7.649 9.537 9.655 1.00 0.00 N ATOM 1465 CA LYS A 94 7.557 8.904 8.310 1.00 0.00 C ATOM 1466 C LYS A 94 6.086 8.806 7.904 1.00 0.00 C ATOM 1467 O LYS A 94 5.201 8.828 8.737 1.00 0.00 O ATOM 1468 CB LYS A 94 8.111 7.478 8.423 1.00 0.00 C ATOM 1469 CG LYS A 94 9.478 7.504 9.113 1.00 0.00 C ATOM 1470 CD LYS A 94 10.132 6.117 9.026 1.00 0.00 C ATOM 1471 CE LYS A 94 11.397 6.096 9.893 1.00 0.00 C ATOM 1472 NZ LYS A 94 11.931 4.706 9.987 1.00 0.00 N ATOM 0 H LYS A 94 7.011 9.153 10.352 1.00 0.00 H new ATOM 0 HA LYS A 94 8.112 9.490 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.420 6.854 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.203 7.034 7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.119 8.249 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.363 7.797 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.433 5.351 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.383 5.885 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.152 6.756 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.171 6.475 10.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.788 4.702 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.214 4.087 10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.164 4.359 9.035 1.00 0.00 H new ATOM 1486 N VAL A 95 5.823 8.660 6.632 1.00 0.00 N ATOM 1487 CA VAL A 95 4.416 8.520 6.159 1.00 0.00 C ATOM 1488 C VAL A 95 4.221 7.092 5.650 1.00 0.00 C ATOM 1489 O VAL A 95 4.909 6.662 4.747 1.00 0.00 O ATOM 1490 CB VAL A 95 4.183 9.502 5.010 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.738 9.387 4.511 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.455 10.927 5.497 1.00 0.00 C ATOM 0 H VAL A 95 6.529 8.632 5.896 1.00 0.00 H new ATOM 0 HA VAL A 95 3.716 8.729 6.968 1.00 0.00 H new ATOM 0 HB VAL A 95 4.859 9.266 4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.579 10.089 3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.554 8.372 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.052 9.618 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.290 11.629 4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.782 11.165 6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.487 11.004 5.838 1.00 0.00 H new ATOM 1502 N TYR A 96 3.288 6.350 6.203 1.00 0.00 N ATOM 1503 CA TYR A 96 3.065 4.952 5.708 1.00 0.00 C ATOM 1504 C TYR A 96 1.575 4.628 5.681 1.00 0.00 C ATOM 1505 O TYR A 96 0.777 5.233 6.370 1.00 0.00 O ATOM 1506 CB TYR A 96 3.808 3.955 6.587 1.00 0.00 C ATOM 1507 CG TYR A 96 3.188 3.852 7.950 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.538 4.775 8.941 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.303 2.804 8.241 1.00 0.00 C ATOM 1510 CE1 TYR A 96 2.999 4.659 10.221 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.767 2.679 9.519 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.112 3.609 10.516 1.00 0.00 C ATOM 1513 OH TYR A 96 1.593 3.481 11.784 1.00 0.00 O ATOM 0 H TYR A 96 2.679 6.647 6.965 1.00 0.00 H new ATOM 0 HA TYR A 96 3.454 4.878 4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.804 2.975 6.110 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.850 4.259 6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.225 5.577 8.714 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.037 2.093 7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.262 5.375 10.985 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.088 1.870 9.745 1.00 0.00 H new ATOM 0 HH TYR A 96 0.997 2.704 11.817 1.00 0.00 H new ATOM 1523 N LEU A 97 1.203 3.680 4.862 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.236 3.291 4.725 1.00 0.00 C ATOM 1525 C LEU A 97 -0.366 1.758 4.776 1.00 0.00 C ATOM 1526 O LEU A 97 0.470 1.028 4.250 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.773 3.816 3.366 1.00 0.00 C ATOM 1528 CG LEU A 97 0.388 3.925 2.342 1.00 0.00 C ATOM 1529 CD1 LEU A 97 -0.146 3.712 0.917 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.061 5.315 2.444 1.00 0.00 C ATOM 0 H LEU A 97 1.844 3.149 4.272 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.814 3.724 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.542 3.144 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.241 4.791 3.503 1.00 0.00 H new ATOM 0 HG LEU A 97 1.126 3.155 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.676 3.790 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.598 2.723 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.895 4.471 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.874 5.380 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.326 6.092 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.458 5.454 3.450 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.427 1.274 5.387 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.661 -0.202 5.476 1.00 0.00 C ATOM 1544 C LYS A 98 -3.064 -0.497 4.955 1.00 0.00 C ATOM 1545 O LYS A 98 -4.009 0.198 5.274 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.525 -0.659 6.944 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.717 -0.153 7.772 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.498 -0.457 9.264 1.00 0.00 C ATOM 1549 CE LYS A 98 -1.396 0.435 9.859 1.00 0.00 C ATOM 1550 NZ LYS A 98 -0.085 -0.262 9.737 1.00 0.00 N ATOM 0 H LYS A 98 -2.145 1.847 5.831 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.927 -0.742 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.477 -1.747 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.594 -0.280 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.840 0.920 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.636 -0.628 7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.429 -0.302 9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.227 -1.505 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.363 1.391 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.611 0.651 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.458 -0.136 10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.245 -1.276 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.449 0.139 8.939 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.221 -1.517 4.147 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.588 -1.819 3.619 1.00 0.00 C ATOM 1566 C ALA A 99 -4.689 -3.294 3.178 1.00 0.00 C ATOM 1567 O ALA A 99 -3.759 -3.825 2.603 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.871 -0.913 2.414 1.00 0.00 C ATOM 0 H ALA A 99 -2.478 -2.142 3.835 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.317 -1.639 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.866 -1.127 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.820 0.131 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.129 -1.098 1.637 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.818 -3.943 3.399 1.00 0.00 N ATOM 1575 CA PRO A 100 -6.039 -5.362 2.961 1.00 0.00 C ATOM 1576 C PRO A 100 -6.499 -5.429 1.489 1.00 0.00 C ATOM 1577 O PRO A 100 -7.648 -5.175 1.182 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.161 -5.814 3.896 1.00 0.00 C ATOM 1579 CG PRO A 100 -8.000 -4.591 4.049 1.00 0.00 C ATOM 1580 CD PRO A 100 -7.011 -3.423 4.105 1.00 0.00 C ATOM 0 HA PRO A 100 -5.141 -5.977 3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.730 -6.640 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.771 -6.156 4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.690 -4.481 3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.603 -4.639 4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.411 -2.535 3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.779 -3.143 5.133 1.00 0.00 H new ATOM 1588 N MET A 101 -5.605 -5.741 0.576 1.00 0.00 N ATOM 1589 CA MET A 101 -5.987 -5.791 -0.887 1.00 0.00 C ATOM 1590 C MET A 101 -6.192 -7.238 -1.361 1.00 0.00 C ATOM 1591 O MET A 101 -5.360 -8.091 -1.125 1.00 0.00 O ATOM 1592 CB MET A 101 -4.860 -5.147 -1.708 1.00 0.00 C ATOM 1593 CG MET A 101 -5.228 -5.131 -3.201 1.00 0.00 C ATOM 1594 SD MET A 101 -6.704 -4.115 -3.475 1.00 0.00 S ATOM 1595 CE MET A 101 -6.034 -2.537 -2.909 1.00 0.00 C ATOM 0 H MET A 101 -4.629 -5.963 0.774 1.00 0.00 H new ATOM 0 HA MET A 101 -6.925 -5.253 -1.023 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.683 -4.130 -1.359 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.932 -5.700 -1.561 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.395 -4.738 -3.784 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.409 -6.148 -3.549 1.00 0.00 H new ATOM 0 HE1 MET A 101 -6.579 -1.720 -3.382 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.139 -2.465 -1.826 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.979 -2.473 -3.177 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.280 -7.518 -2.058 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.505 -8.907 -2.575 1.00 0.00 C ATOM 1607 C ILE A 102 -6.955 -9.035 -3.999 1.00 0.00 C ATOM 1608 O ILE A 102 -7.261 -8.259 -4.881 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.010 -9.293 -2.516 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -9.902 -8.061 -2.740 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.354 -9.911 -1.148 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.379 -8.470 -2.601 1.00 0.00 C ATOM 0 H ILE A 102 -8.013 -6.846 -2.287 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.967 -9.605 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.194 -10.020 -3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.658 -7.285 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.721 -7.641 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.411 -10.175 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.752 -10.806 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.142 -9.189 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.014 -7.599 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.617 -9.232 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.553 -8.870 -1.602 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.147 -10.043 -4.213 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.552 -10.298 -5.555 1.00 0.00 C ATOM 1626 C LEU A 103 -6.317 -11.483 -6.150 1.00 0.00 C ATOM 1627 O LEU A 103 -7.244 -11.970 -5.542 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.044 -10.648 -5.432 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.405 -9.987 -4.191 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.659 -8.467 -4.182 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -3.939 -10.640 -2.890 1.00 0.00 C ATOM 0 H LEU A 103 -5.871 -10.713 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.629 -9.413 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.925 -11.730 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.520 -10.320 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.328 -10.147 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.199 -8.026 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.226 -8.020 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.732 -8.278 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.477 -10.161 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.021 -10.516 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -3.695 -11.702 -2.889 1.00 0.00 H new ATOM 1643 N ASN A 104 -5.965 -11.946 -7.317 1.00 0.00 N ATOM 1644 CA ASN A 104 -6.718 -13.100 -7.885 1.00 0.00 C ATOM 1645 C ASN A 104 -6.477 -14.326 -6.993 1.00 0.00 C ATOM 1646 O ASN A 104 -5.826 -15.277 -7.374 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.228 -13.381 -9.306 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.101 -14.464 -9.943 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -6.718 -15.618 -9.991 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -8.266 -14.144 -10.436 1.00 0.00 N ATOM 0 H ASN A 104 -5.204 -11.585 -7.893 1.00 0.00 H new ATOM 0 HA ASN A 104 -7.784 -12.874 -7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.268 -12.470 -9.903 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.187 -13.704 -9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.854 -14.861 -10.861 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.588 -13.177 -10.396 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.004 -14.289 -5.794 1.00 0.00 N ATOM 1658 CA GLY A 105 -6.827 -15.417 -4.837 1.00 0.00 C ATOM 1659 C GLY A 105 -7.575 -15.083 -3.539 1.00 0.00 C ATOM 1660 O GLY A 105 -8.739 -15.394 -3.377 1.00 0.00 O ATOM 0 H GLY A 105 -7.558 -13.511 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.212 -16.342 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.768 -15.577 -4.633 1.00 0.00 H new ATOM 1664 N VAL A 106 -6.902 -14.424 -2.624 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.542 -14.020 -1.330 1.00 0.00 C ATOM 1666 C VAL A 106 -6.848 -12.734 -0.831 1.00 0.00 C ATOM 1667 O VAL A 106 -5.981 -12.207 -1.487 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.419 -15.142 -0.265 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.708 -15.195 0.575 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.191 -16.506 -0.938 1.00 0.00 C ATOM 0 H VAL A 106 -5.925 -14.146 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.605 -13.842 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.566 -14.922 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.622 -15.983 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.858 -14.237 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.558 -15.403 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.107 -17.279 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.031 -16.733 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.272 -16.474 -1.524 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.230 -12.217 0.310 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.586 -10.962 0.807 1.00 0.00 C ATOM 1682 C CYS A 107 -5.163 -11.206 1.303 1.00 0.00 C ATOM 1683 O CYS A 107 -4.816 -12.256 1.804 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.409 -10.373 1.947 1.00 0.00 C ATOM 1685 SG CYS A 107 -7.795 -11.680 3.113 1.00 0.00 S ATOM 0 H CYS A 107 -7.954 -12.605 0.915 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.543 -10.268 -0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.853 -9.577 2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.326 -9.928 1.560 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.060 -11.637 3.410 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.362 -10.188 1.178 1.00 0.00 N ATOM 1692 CA VAL A 108 -2.951 -10.213 1.640 1.00 0.00 C ATOM 1693 C VAL A 108 -2.738 -8.867 2.341 1.00 0.00 C ATOM 1694 O VAL A 108 -3.379 -7.897 1.981 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.032 -10.381 0.422 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.149 -9.157 -0.499 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.581 -10.563 0.885 1.00 0.00 C ATOM 0 H VAL A 108 -4.642 -9.303 0.756 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.728 -11.037 2.318 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.337 -11.267 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.493 -9.286 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.179 -9.055 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.857 -8.261 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.066 -10.682 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.268 -9.687 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.509 -11.450 1.515 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.904 -8.772 3.355 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.774 -7.449 4.068 1.00 0.00 C ATOM 1709 C ILE A 109 -0.569 -6.638 3.569 1.00 0.00 C ATOM 1710 O ILE A 109 0.574 -7.008 3.728 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.647 -7.709 5.586 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.985 -6.423 6.359 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.217 -8.157 5.936 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -2.203 -6.740 7.841 1.00 0.00 C ATOM 0 H ILE A 109 -1.322 -9.528 3.714 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.665 -6.858 3.857 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.343 -8.500 5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.176 -5.701 6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.881 -5.964 5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.144 -8.336 7.009 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.019 -9.075 5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.489 -7.377 5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.442 -5.822 8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -3.027 -7.446 7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.296 -7.178 8.257 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.848 -5.500 2.986 1.00 0.00 N ATOM 1727 CA TRP A 110 0.231 -4.602 2.477 1.00 0.00 C ATOM 1728 C TRP A 110 0.380 -3.412 3.441 1.00 0.00 C ATOM 1729 O TRP A 110 -0.587 -2.762 3.787 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.180 -4.115 1.080 1.00 0.00 C ATOM 1731 CG TRP A 110 0.981 -3.501 0.364 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.760 -4.155 -0.528 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.489 -2.134 0.428 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.730 -3.289 -0.996 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.602 -2.030 -0.442 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.106 -0.992 1.150 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.308 -0.837 -0.590 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.812 0.213 1.002 1.00 0.00 C ATOM 1739 CH2 TRP A 110 2.908 0.291 0.136 1.00 0.00 C ATOM 0 H TRP A 110 -1.795 -5.150 2.839 1.00 0.00 H new ATOM 0 HA TRP A 110 1.186 -5.125 2.415 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.569 -4.951 0.499 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.985 -3.386 1.167 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.643 -5.186 -0.826 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.452 -3.548 -1.668 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.263 -1.041 1.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.155 -0.784 -1.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.507 1.085 1.561 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.445 1.221 0.028 1.00 0.00 H new ATOM 1750 N LYS A 111 1.582 -3.120 3.869 1.00 0.00 N ATOM 1751 CA LYS A 111 1.804 -1.967 4.800 1.00 0.00 C ATOM 1752 C LYS A 111 3.186 -1.397 4.548 1.00 0.00 C ATOM 1753 O LYS A 111 4.079 -1.483 5.369 1.00 0.00 O ATOM 1754 CB LYS A 111 1.670 -2.410 6.260 1.00 0.00 C ATOM 1755 CG LYS A 111 2.434 -3.713 6.492 1.00 0.00 C ATOM 1756 CD LYS A 111 2.306 -4.101 7.966 1.00 0.00 C ATOM 1757 CE LYS A 111 3.164 -5.335 8.250 1.00 0.00 C ATOM 1758 NZ LYS A 111 3.078 -5.674 9.699 1.00 0.00 N ATOM 0 H LYS A 111 2.426 -3.633 3.613 1.00 0.00 H new ATOM 0 HA LYS A 111 1.048 -1.204 4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.055 -1.632 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.618 -2.548 6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.034 -4.504 5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.483 -3.589 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.623 -3.272 8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.264 -4.307 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.822 -6.176 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.200 -5.143 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.661 -6.513 9.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.424 -4.873 10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.089 -5.873 9.951 1.00 0.00 H new ATOM 1772 N GLY A 112 3.358 -0.818 3.406 1.00 0.00 N ATOM 1773 CA GLY A 112 4.671 -0.230 3.058 1.00 0.00 C ATOM 1774 C GLY A 112 4.871 1.076 3.811 1.00 0.00 C ATOM 1775 O GLY A 112 3.920 1.737 4.171 1.00 0.00 O ATOM 0 H GLY A 112 2.639 -0.724 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.469 -0.929 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.726 -0.052 1.984 1.00 0.00 H new ATOM 1779 N TRP A 113 6.103 1.478 4.017 1.00 0.00 N ATOM 1780 CA TRP A 113 6.367 2.775 4.708 1.00 0.00 C ATOM 1781 C TRP A 113 7.508 3.500 4.000 1.00 0.00 C ATOM 1782 O TRP A 113 8.296 2.908 3.294 1.00 0.00 O ATOM 1783 CB TRP A 113 6.719 2.548 6.189 1.00 0.00 C ATOM 1784 CG TRP A 113 7.787 1.513 6.355 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.548 0.248 6.758 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.233 1.618 6.170 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.742 -0.434 6.833 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.810 0.362 6.481 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.096 2.657 5.767 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.181 0.142 6.403 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.484 2.433 5.686 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.023 1.177 6.005 1.00 0.00 C ATOM 0 H TRP A 113 6.936 0.961 3.735 1.00 0.00 H new ATOM 0 HA TRP A 113 5.465 3.385 4.668 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.051 3.487 6.632 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.826 2.238 6.731 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.576 -0.164 6.985 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.826 -1.411 7.115 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.692 3.627 5.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.590 -0.826 6.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.139 3.234 5.376 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.089 1.014 5.942 1.00 0.00 H new ATOM 1803 N ILE A 114 7.592 4.785 4.191 1.00 0.00 N ATOM 1804 CA ILE A 114 8.659 5.588 3.541 1.00 0.00 C ATOM 1805 C ILE A 114 8.869 6.840 4.388 1.00 0.00 C ATOM 1806 O ILE A 114 7.931 7.422 4.897 1.00 0.00 O ATOM 1807 CB ILE A 114 8.233 5.976 2.115 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.814 6.559 2.152 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.264 4.751 1.190 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.417 7.057 0.757 1.00 0.00 C ATOM 0 H ILE A 114 6.955 5.321 4.780 1.00 0.00 H new ATOM 0 HA ILE A 114 9.583 5.015 3.470 1.00 0.00 H new ATOM 0 HB ILE A 114 8.929 6.720 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.109 5.800 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.767 7.380 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.960 5.046 0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.275 4.345 1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.580 3.992 1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.409 7.469 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.114 7.830 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.445 6.226 0.052 1.00 0.00 H new ATOM 1822 N ASP A 115 10.092 7.242 4.570 1.00 0.00 N ATOM 1823 CA ASP A 115 10.362 8.433 5.413 1.00 0.00 C ATOM 1824 C ASP A 115 9.974 9.708 4.657 1.00 0.00 C ATOM 1825 O ASP A 115 9.703 9.685 3.475 1.00 0.00 O ATOM 1826 CB ASP A 115 11.845 8.456 5.770 1.00 0.00 C ATOM 1827 CG ASP A 115 12.060 9.301 7.028 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.197 10.106 7.329 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.080 9.121 7.668 1.00 0.00 O ATOM 0 H ASP A 115 10.918 6.796 4.170 1.00 0.00 H new ATOM 0 HA ASP A 115 9.769 8.384 6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.205 7.441 5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.422 8.867 4.941 1.00 0.00 H new ATOM 1834 N LEU A 116 9.912 10.810 5.351 1.00 0.00 N ATOM 1835 CA LEU A 116 9.499 12.088 4.707 1.00 0.00 C ATOM 1836 C LEU A 116 10.572 12.604 3.725 1.00 0.00 C ATOM 1837 O LEU A 116 10.262 13.346 2.817 1.00 0.00 O ATOM 1838 CB LEU A 116 9.223 13.128 5.807 1.00 0.00 C ATOM 1839 CG LEU A 116 8.282 14.243 5.286 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.712 15.016 6.485 1.00 0.00 C ATOM 1841 CD2 LEU A 116 9.031 15.218 4.341 1.00 0.00 C ATOM 0 H LEU A 116 10.132 10.880 6.345 1.00 0.00 H new ATOM 0 HA LEU A 116 8.594 11.914 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.772 12.639 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.163 13.566 6.143 1.00 0.00 H new ATOM 0 HG LEU A 116 7.475 13.781 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.048 15.803 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.154 14.333 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.529 15.460 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.343 15.988 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.856 15.685 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.422 14.667 3.485 1.00 0.00 H new ATOM 1853 N HIS A 117 11.832 12.245 3.879 1.00 0.00 N ATOM 1854 CA HIS A 117 12.869 12.760 2.918 1.00 0.00 C ATOM 1855 C HIS A 117 13.161 11.704 1.841 1.00 0.00 C ATOM 1856 O HIS A 117 13.034 11.980 0.661 1.00 0.00 O ATOM 1857 CB HIS A 117 14.150 13.133 3.675 1.00 0.00 C ATOM 1858 CG HIS A 117 14.835 11.898 4.183 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.131 11.575 3.820 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.426 10.911 5.040 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.456 10.434 4.458 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.452 9.986 5.215 1.00 0.00 N ATOM 0 H HIS A 117 12.181 11.630 4.614 1.00 0.00 H new ATOM 0 HA HIS A 117 12.487 13.655 2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.821 13.685 3.017 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.909 13.792 4.509 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.455 10.858 5.509 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.413 9.941 4.368 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.439 9.148 5.796 1.00 0.00 H new ATOM 1870 N ARG A 118 13.520 10.492 2.212 1.00 0.00 N ATOM 1871 CA ARG A 118 13.774 9.446 1.163 1.00 0.00 C ATOM 1872 C ARG A 118 12.483 8.652 0.918 1.00 0.00 C ATOM 1873 O ARG A 118 11.933 8.022 1.801 1.00 0.00 O ATOM 1874 CB ARG A 118 14.901 8.491 1.597 1.00 0.00 C ATOM 1875 CG ARG A 118 14.555 7.828 2.929 1.00 0.00 C ATOM 1876 CD ARG A 118 15.768 7.075 3.475 1.00 0.00 C ATOM 1877 NE ARG A 118 16.046 5.890 2.615 1.00 0.00 N ATOM 1878 CZ ARG A 118 17.165 5.231 2.755 1.00 0.00 C ATOM 1879 NH1 ARG A 118 18.037 5.600 3.653 1.00 0.00 N ATOM 1880 NH2 ARG A 118 17.416 4.209 1.987 1.00 0.00 N ATOM 0 H ARG A 118 13.646 10.186 3.177 1.00 0.00 H new ATOM 0 HA ARG A 118 14.086 9.941 0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.054 7.729 0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.837 9.042 1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.233 8.583 3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.721 7.140 2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.637 7.732 3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 118 15.581 6.757 4.501 1.00 0.00 H new ATOM 0 HE ARG A 118 15.363 5.594 1.918 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.846 6.406 4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.910 5.083 3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 118 16.739 3.925 1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 118 18.289 3.693 2.094 1.00 0.00 H new ATOM 1894 N LEU A 119 11.998 8.688 -0.291 1.00 0.00 N ATOM 1895 CA LEU A 119 10.748 7.948 -0.650 1.00 0.00 C ATOM 1896 C LEU A 119 11.115 6.560 -1.211 1.00 0.00 C ATOM 1897 O LEU A 119 10.511 6.082 -2.147 1.00 0.00 O ATOM 1898 CB LEU A 119 9.929 8.750 -1.682 1.00 0.00 C ATOM 1899 CG LEU A 119 10.853 9.503 -2.644 1.00 0.00 C ATOM 1900 CD1 LEU A 119 11.660 8.495 -3.470 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.999 10.380 -3.572 1.00 0.00 C ATOM 0 H LEU A 119 12.420 9.207 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 119 10.137 7.820 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 119 9.284 8.075 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.279 9.457 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 119 11.543 10.133 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 119 12.318 9.030 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 119 12.258 7.874 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 119 10.979 7.863 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.648 10.920 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.313 9.750 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 119 9.429 11.093 -2.976 1.00 0.00 H new ATOM 1913 N ASP A 120 12.113 5.925 -0.650 1.00 0.00 N ATOM 1914 CA ASP A 120 12.556 4.568 -1.134 1.00 0.00 C ATOM 1915 C ASP A 120 12.609 3.631 0.078 1.00 0.00 C ATOM 1916 O ASP A 120 13.537 2.865 0.263 1.00 0.00 O ATOM 1917 CB ASP A 120 13.951 4.702 -1.749 1.00 0.00 C ATOM 1918 CG ASP A 120 14.927 5.148 -0.662 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.466 5.456 0.426 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.116 5.178 -0.932 1.00 0.00 O ATOM 0 H ASP A 120 12.652 6.290 0.135 1.00 0.00 H new ATOM 0 HA ASP A 120 11.869 4.171 -1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.269 3.750 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.936 5.426 -2.564 1.00 0.00 H new ATOM 1925 N GLY A 121 11.622 3.729 0.916 1.00 0.00 N ATOM 1926 CA GLY A 121 11.567 2.908 2.158 1.00 0.00 C ATOM 1927 C GLY A 121 11.560 1.420 1.838 1.00 0.00 C ATOM 1928 O GLY A 121 12.114 0.970 0.854 1.00 0.00 O ATOM 0 H GLY A 121 10.829 4.359 0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.424 3.142 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.673 3.164 2.726 1.00 0.00 H new ATOM 1932 N MET A 122 10.914 0.661 2.679 1.00 0.00 N ATOM 1933 CA MET A 122 10.814 -0.814 2.484 1.00 0.00 C ATOM 1934 C MET A 122 9.405 -1.236 2.897 1.00 0.00 C ATOM 1935 O MET A 122 8.733 -0.522 3.610 1.00 0.00 O ATOM 1936 CB MET A 122 11.865 -1.506 3.356 1.00 0.00 C ATOM 1937 CG MET A 122 11.953 -2.987 3.008 1.00 0.00 C ATOM 1938 SD MET A 122 13.128 -3.785 4.131 1.00 0.00 S ATOM 1939 CE MET A 122 14.643 -3.037 3.473 1.00 0.00 C ATOM 0 H MET A 122 10.440 1.009 3.513 1.00 0.00 H new ATOM 0 HA MET A 122 10.994 -1.093 1.446 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.836 -1.033 3.210 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.608 -1.388 4.409 1.00 0.00 H new ATOM 0 HG2 MET A 122 10.972 -3.454 3.095 1.00 0.00 H new ATOM 0 HG3 MET A 122 12.275 -3.113 1.974 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.493 -3.684 3.691 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.549 -2.913 2.394 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.800 -2.063 3.938 1.00 0.00 H new ATOM 1949 N GLY A 123 8.932 -2.365 2.457 1.00 0.00 N ATOM 1950 CA GLY A 123 7.549 -2.766 2.835 1.00 0.00 C ATOM 1951 C GLY A 123 7.410 -4.269 2.755 1.00 0.00 C ATOM 1952 O GLY A 123 7.465 -4.860 1.697 1.00 0.00 O ATOM 0 H GLY A 123 9.434 -3.021 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.325 -2.425 3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.828 -2.289 2.171 1.00 0.00 H new ATOM 1956 N CYS A 124 7.222 -4.890 3.872 1.00 0.00 N ATOM 1957 CA CYS A 124 7.057 -6.355 3.877 1.00 0.00 C ATOM 1958 C CYS A 124 5.622 -6.692 3.524 1.00 0.00 C ATOM 1959 O CYS A 124 4.693 -6.071 4.001 1.00 0.00 O ATOM 1960 CB CYS A 124 7.363 -6.912 5.263 1.00 0.00 C ATOM 1961 SG CYS A 124 9.068 -6.523 5.724 1.00 0.00 S ATOM 0 H CYS A 124 7.175 -4.443 4.788 1.00 0.00 H new ATOM 0 HA CYS A 124 7.742 -6.793 3.151 1.00 0.00 H new ATOM 0 HB2 CYS A 124 6.674 -6.489 5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 124 7.213 -7.992 5.271 1.00 0.00 H new ATOM 0 HG CYS A 124 9.317 -7.000 6.907 1.00 0.00 H new ATOM 1967 N LEU A 125 5.435 -7.697 2.720 1.00 0.00 N ATOM 1968 CA LEU A 125 4.053 -8.134 2.347 1.00 0.00 C ATOM 1969 C LEU A 125 3.912 -9.576 2.834 1.00 0.00 C ATOM 1970 O LEU A 125 4.836 -10.360 2.750 1.00 0.00 O ATOM 1971 CB LEU A 125 3.885 -8.003 0.827 1.00 0.00 C ATOM 1972 CG LEU A 125 2.577 -8.643 0.335 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.363 -7.844 0.837 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.587 -8.653 -1.200 1.00 0.00 C ATOM 0 H LEU A 125 6.185 -8.244 2.298 1.00 0.00 H new ATOM 0 HA LEU A 125 3.274 -7.523 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.899 -6.949 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.730 -8.475 0.327 1.00 0.00 H new ATOM 0 HG LEU A 125 2.503 -9.659 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.446 -8.312 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.362 -7.831 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.419 -6.822 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.665 -9.104 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.663 -7.631 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.440 -9.231 -1.555 1.00 0.00 H new ATOM 1986 N GLU A 126 2.784 -9.919 3.395 1.00 0.00 N ATOM 1987 CA GLU A 126 2.617 -11.309 3.939 1.00 0.00 C ATOM 1988 C GLU A 126 1.158 -11.771 3.848 1.00 0.00 C ATOM 1989 O GLU A 126 0.238 -11.054 4.187 1.00 0.00 O ATOM 1990 CB GLU A 126 3.016 -11.332 5.421 1.00 0.00 C ATOM 1991 CG GLU A 126 4.451 -10.847 5.611 1.00 0.00 C ATOM 1992 CD GLU A 126 4.832 -11.016 7.081 1.00 0.00 C ATOM 1993 OE1 GLU A 126 5.087 -12.139 7.481 1.00 0.00 O ATOM 1994 OE2 GLU A 126 4.837 -10.024 7.790 1.00 0.00 O ATOM 0 H GLU A 126 1.975 -9.308 3.502 1.00 0.00 H new ATOM 0 HA GLU A 126 3.249 -11.972 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.337 -10.701 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.916 -12.345 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.130 -11.416 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.539 -9.802 5.315 1.00 0.00 H new ATOM 2001 N PHE A 127 0.957 -12.987 3.427 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.422 -13.557 3.344 1.00 0.00 C ATOM 2003 C PHE A 127 -0.835 -14.049 4.754 1.00 0.00 C ATOM 2004 O PHE A 127 -0.528 -15.162 5.133 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.371 -14.727 2.333 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.578 -14.744 1.415 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -1.541 -14.051 0.194 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -2.722 -15.470 1.769 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -2.646 -14.085 -0.663 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.827 -15.500 0.908 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.788 -14.808 -0.309 1.00 0.00 C ATOM 0 H PHE A 127 1.699 -13.622 3.132 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.154 -12.821 3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.537 -14.649 1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -0.316 -15.671 2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.660 -13.492 -0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -2.753 -16.007 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -2.616 -13.551 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.710 -16.058 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.639 -14.833 -0.973 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.507 -13.242 5.545 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.895 -13.706 6.928 1.00 0.00 C ATOM 2023 C ASP A 128 -3.256 -13.141 7.320 1.00 0.00 C ATOM 2024 O ASP A 128 -3.622 -13.115 8.478 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.848 -13.213 7.929 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.059 -13.903 9.279 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.035 -14.620 9.411 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.236 -13.704 10.156 1.00 0.00 O ATOM 0 H ASP A 128 -1.802 -12.296 5.302 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.948 -14.795 6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.154 -13.423 7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.924 -12.132 8.046 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.993 -12.668 6.378 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.314 -12.075 6.703 1.00 0.00 C ATOM 2035 C GLU A 129 -6.318 -13.134 7.214 1.00 0.00 C ATOM 2036 O GLU A 129 -6.732 -14.055 6.509 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.823 -11.353 5.451 1.00 0.00 C ATOM 2038 CG GLU A 129 -5.106 -10.008 5.294 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.589 -9.052 6.381 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -6.571 -9.378 7.028 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -4.970 -8.017 6.555 1.00 0.00 O ATOM 0 H GLU A 129 -3.744 -12.662 5.389 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.208 -11.363 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.651 -11.971 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.899 -11.195 5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.027 -10.147 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.307 -9.588 4.308 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.737 -12.984 8.450 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.726 -13.935 9.019 1.00 0.00 C ATOM 2050 C GLU A 130 -9.001 -13.829 8.196 1.00 0.00 C ATOM 2051 O GLU A 130 -9.741 -14.779 8.020 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.988 -13.613 10.508 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.680 -12.249 10.677 1.00 0.00 C ATOM 2054 CD GLU A 130 -7.663 -11.120 10.495 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -6.501 -11.421 10.284 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -8.066 -9.971 10.577 1.00 0.00 O ATOM 0 H GLU A 130 -6.433 -12.243 9.082 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.346 -14.956 8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.609 -14.394 10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.044 -13.613 11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.484 -12.147 9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.136 -12.183 11.665 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.248 -12.669 7.656 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.451 -12.511 6.812 1.00 0.00 C ATOM 2065 C ARG A 131 -10.202 -13.283 5.521 1.00 0.00 C ATOM 2066 O ARG A 131 -11.093 -13.483 4.721 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.730 -11.026 6.517 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.454 -10.304 6.095 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.730 -8.801 6.031 1.00 0.00 C ATOM 2070 NE ARG A 131 -9.888 -8.257 7.414 1.00 0.00 N ATOM 2071 CZ ARG A 131 -9.783 -6.970 7.619 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -9.626 -6.169 6.606 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -9.861 -6.478 8.826 1.00 0.00 N ATOM 0 H ARG A 131 -8.672 -11.834 7.764 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.329 -12.899 7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.477 -10.942 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.147 -10.547 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.653 -10.510 6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.120 -10.667 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -8.911 -8.293 5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.633 -8.612 5.450 1.00 0.00 H new ATOM 0 HE ARG A 131 -10.077 -8.887 8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.586 -6.546 5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -9.543 -5.164 6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -10.005 -7.100 9.622 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -9.778 -5.472 8.973 1.00 0.00 H new ATOM 2087 N ALA A 132 -8.985 -13.734 5.323 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.674 -14.511 4.087 1.00 0.00 C ATOM 2089 C ALA A 132 -9.358 -15.856 4.147 1.00 0.00 C ATOM 2090 O ALA A 132 -10.062 -16.245 3.238 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.166 -14.766 3.971 1.00 0.00 C ATOM 0 H ALA A 132 -8.201 -13.597 5.961 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.022 -13.932 3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -6.962 -15.334 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.638 -13.813 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.825 -15.332 4.838 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.144 -16.586 5.198 1.00 0.00 N ATOM 2098 CA GLN A 133 -9.789 -17.929 5.253 1.00 0.00 C ATOM 2099 C GLN A 133 -11.321 -17.783 5.269 1.00 0.00 C ATOM 2100 O GLN A 133 -12.027 -18.565 4.660 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.298 -18.712 6.481 1.00 0.00 C ATOM 2102 CG GLN A 133 -9.678 -17.983 7.760 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.082 -18.731 8.955 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -9.468 -19.848 9.238 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -8.147 -18.167 9.672 1.00 0.00 N ATOM 0 H GLN A 133 -8.570 -16.327 6.001 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.508 -18.490 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.733 -19.711 6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.216 -18.836 6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.307 -16.958 7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -10.763 -17.927 7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -7.820 -17.230 9.438 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -7.744 -18.664 10.466 1.00 0.00 H new ATOM 2114 N GLN A 134 -11.852 -16.791 5.942 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.345 -16.641 5.964 1.00 0.00 C ATOM 2116 C GLN A 134 -13.863 -16.050 4.640 1.00 0.00 C ATOM 2117 O GLN A 134 -14.865 -16.489 4.110 1.00 0.00 O ATOM 2118 CB GLN A 134 -13.762 -15.743 7.154 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.848 -14.260 6.749 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.920 -13.385 8.000 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -13.690 -12.193 7.935 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.233 -13.928 9.143 1.00 0.00 N ATOM 0 H GLN A 134 -11.330 -16.090 6.468 1.00 0.00 H new ATOM 0 HA GLN A 134 -13.790 -17.629 6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -14.728 -16.072 7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.043 -15.857 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.978 -13.986 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -14.727 -14.094 6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.426 -14.928 9.197 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.285 -13.353 9.984 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.211 -15.038 4.117 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.705 -14.422 2.854 1.00 0.00 C ATOM 2133 C GLU A 135 -13.504 -15.393 1.699 1.00 0.00 C ATOM 2134 O GLU A 135 -14.268 -15.408 0.755 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.959 -13.106 2.569 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.575 -13.403 1.984 1.00 0.00 C ATOM 2137 CD GLU A 135 -10.654 -12.190 2.147 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -10.821 -11.462 3.111 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -9.788 -12.018 1.306 1.00 0.00 O ATOM 0 H GLU A 135 -12.368 -14.619 4.508 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.767 -14.202 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.534 -12.496 1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.858 -12.529 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.140 -14.268 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.667 -13.659 0.928 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.482 -16.206 1.756 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.268 -17.165 0.640 1.00 0.00 C ATOM 2148 C ASP A 136 -13.496 -18.055 0.545 1.00 0.00 C ATOM 2149 O ASP A 136 -13.993 -18.341 -0.524 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.041 -18.034 0.910 1.00 0.00 C ATOM 2151 CG ASP A 136 -10.677 -18.795 -0.368 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -11.524 -18.875 -1.246 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -9.559 -19.276 -0.452 1.00 0.00 O ATOM 0 H ASP A 136 -11.799 -16.246 2.513 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.108 -16.618 -0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.204 -17.414 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.247 -18.734 1.719 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.006 -18.482 1.660 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.221 -19.332 1.609 1.00 0.00 C ATOM 2160 C ALA A 137 -16.350 -18.518 0.978 1.00 0.00 C ATOM 2161 O ALA A 137 -17.061 -18.979 0.108 1.00 0.00 O ATOM 2162 CB ALA A 137 -15.614 -19.753 3.026 1.00 0.00 C ATOM 0 H ALA A 137 -13.642 -18.284 2.592 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.030 -20.228 1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.507 -20.377 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -14.797 -20.316 3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -15.818 -18.866 3.626 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.509 -17.302 1.422 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.579 -16.419 0.879 1.00 0.00 C ATOM 2170 C LEU A 138 -17.137 -15.783 -0.450 1.00 0.00 C ATOM 2171 O LEU A 138 -17.899 -15.086 -1.091 1.00 0.00 O ATOM 2172 CB LEU A 138 -17.864 -15.313 1.898 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.324 -15.921 3.235 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.603 -14.788 4.230 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.603 -16.754 3.032 1.00 0.00 C ATOM 0 H LEU A 138 -15.934 -16.877 2.149 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.475 -17.013 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -16.967 -14.713 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.633 -14.643 1.512 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.540 -16.572 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.930 -15.210 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.694 -14.207 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.384 -14.140 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.916 -17.178 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.395 -16.115 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.404 -17.560 2.325 1.00 0.00 H new ATOM 2187 N ALA A 139 -15.914 -15.993 -0.864 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.447 -15.378 -2.145 1.00 0.00 C ATOM 2189 C ALA A 139 -16.326 -15.882 -3.288 1.00 0.00 C ATOM 2190 O ALA A 139 -16.482 -15.234 -4.304 1.00 0.00 O ATOM 2191 CB ALA A 139 -13.986 -15.767 -2.402 1.00 0.00 C ATOM 0 H ALA A 139 -15.221 -16.560 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.518 -14.292 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -13.649 -15.317 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.364 -15.409 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.905 -16.852 -2.472 1.00 0.00 H new ATOM 2197 N GLN A 140 -16.908 -17.037 -3.126 1.00 0.00 N ATOM 2198 CA GLN A 140 -17.782 -17.591 -4.196 1.00 0.00 C ATOM 2199 C GLN A 140 -19.172 -16.937 -4.113 1.00 0.00 C ATOM 2200 O GLN A 140 -19.657 -16.623 -3.043 1.00 0.00 O ATOM 2201 CB GLN A 140 -17.918 -19.099 -3.989 1.00 0.00 C ATOM 2202 CG GLN A 140 -16.527 -19.746 -3.900 1.00 0.00 C ATOM 2203 CD GLN A 140 -15.726 -19.460 -5.172 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -14.567 -19.099 -5.105 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -16.299 -19.600 -6.336 1.00 0.00 N ATOM 0 H GLN A 140 -16.816 -17.623 -2.296 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.346 -17.387 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -18.480 -19.300 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -18.480 -19.538 -4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -15.994 -19.360 -3.032 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -16.627 -20.822 -3.760 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -17.271 -19.903 -6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -15.775 -19.407 -7.189 1.00 0.00 H new ATOM 2214 N GLN A 141 -19.819 -16.734 -5.235 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.177 -16.106 -5.226 1.00 0.00 C ATOM 2216 C GLN A 141 -22.241 -17.210 -5.183 1.00 0.00 C ATOM 2217 O GLN A 141 -21.991 -18.268 -5.740 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.355 -15.268 -6.498 1.00 0.00 C ATOM 2219 CG GLN A 141 -22.610 -14.396 -6.383 1.00 0.00 C ATOM 2220 CD GLN A 141 -22.346 -13.255 -5.396 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -21.388 -12.523 -5.546 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -23.156 -13.067 -4.387 1.00 0.00 N ATOM 2223 OXT GLN A 141 -23.284 -16.981 -4.592 1.00 0.00 O ATOM 0 H GLN A 141 -19.464 -16.977 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.283 -15.464 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -20.479 -14.639 -6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -21.436 -15.923 -7.366 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -22.877 -13.993 -7.360 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -23.454 -14.997 -6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -23.961 -13.680 -4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -22.983 -12.307 -3.729 1.00 0.00 H new TER 2232 GLN A 141