USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=22 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 Set 1.1: A 96 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 TYR OH : rot 180:sc= -0.659 USER MOD Set 2.2: A 53 SER OG : rot 102:sc= 0.566 USER MOD Single : A 8 GLN : amide:sc= -2.45 X(o=-2.4,f=-2.8) USER MOD Single : A 10 SER OG : rot 109:sc= 1.19 USER MOD Single : A 11 LYS NZ :NH3+ -114:sc= -2.54 (180deg=-6.83!) USER MOD Single : A 14 ASN : amide:sc= -6.44! C(o=-6.4!,f=-14!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 65:sc= -2.3! USER MOD Single : A 25 CYS SG : rot 70:sc= 0.337 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.516 (180deg=-0.774) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0.00232 K(o=0.0023,f=-0.7) USER MOD Single : A 41 GLN : amide:sc= -0.012 K(o=-0.012,f=-0.85) USER MOD Single : A 42 THR OG1 : rot 92:sc= 0.571 USER MOD Single : A 45 GLN : amide:sc= -2.58! C(o=-2.6!,f=-2.1!) USER MOD Single : A 46 ASN : amide:sc= -8.73! C(o=-8.7!,f=-24!) USER MOD Single : A 48 CYS SG : rot -153:sc= -5.88! USER MOD Single : A 60 THR OG1 : rot 100:sc= -0.171 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 72 SER OG : rot 140:sc= -0.561 USER MOD Single : A 74 GLN : amide:sc= 0.0049 K(o=0.0049,f=-1) USER MOD Single : A 77 GLN : amide:sc= -0.059 K(o=-0.059,f=-1.3!) USER MOD Single : A 79 GLN : amide:sc= -7.3! C(o=-7.3!,f=-2.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc=-0.00166 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 101 MET CE :methyl -137:sc= -1.9 (180deg=-7.45!) USER MOD Single : A 104 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.27) USER MOD Single : A 107 CYS SG : rot -130:sc= -8.6! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -8.67! C(o=-8.7!,f=-7.7!) USER MOD Single : A 122 MET CE :methyl -159:sc= -0.073 (180deg=-0.702) USER MOD Single : A 124 CYS SG : rot -1:sc= 0.462 USER MOD Single : A 133 GLN : amide:sc= -0.0342 X(o=-0.034,f=-0.43) USER MOD Single : A 134 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.26) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 141 GLN : amide:sc= -1.1 K(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -13.937 -24.710 5.446 1.00 0.00 N ATOM 2 CA VAL A 4 -14.784 -24.621 4.221 1.00 0.00 C ATOM 3 C VAL A 4 -14.118 -25.405 3.084 1.00 0.00 C ATOM 4 O VAL A 4 -13.458 -26.400 3.313 1.00 0.00 O ATOM 5 CB VAL A 4 -14.966 -23.139 3.812 1.00 0.00 C ATOM 6 CG1 VAL A 4 -16.294 -22.961 3.047 1.00 0.00 C ATOM 7 CG2 VAL A 4 -14.981 -22.252 5.068 1.00 0.00 C ATOM 0 HA VAL A 4 -15.765 -25.049 4.426 1.00 0.00 H new ATOM 0 HB VAL A 4 -14.137 -22.847 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -16.413 -21.915 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -16.283 -23.581 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -17.125 -23.261 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.109 -21.210 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.805 -22.552 5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -14.039 -22.365 5.605 1.00 0.00 H new ATOM 17 N VAL A 5 -14.286 -24.963 1.867 1.00 0.00 N ATOM 18 CA VAL A 5 -13.671 -25.679 0.712 1.00 0.00 C ATOM 19 C VAL A 5 -12.139 -25.672 0.882 1.00 0.00 C ATOM 20 O VAL A 5 -11.523 -24.625 0.843 1.00 0.00 O ATOM 21 CB VAL A 5 -14.073 -24.959 -0.587 1.00 0.00 C ATOM 22 CG1 VAL A 5 -13.502 -23.535 -0.626 1.00 0.00 C ATOM 23 CG2 VAL A 5 -13.549 -25.757 -1.778 1.00 0.00 C ATOM 0 H VAL A 5 -14.825 -24.133 1.622 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.018 -26.711 0.668 1.00 0.00 H new ATOM 0 HB VAL A 5 -15.160 -24.889 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.801 -23.048 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.885 -22.966 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.414 -23.578 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.829 -25.255 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.463 -25.829 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.980 -26.758 -1.763 1.00 0.00 H new ATOM 33 N PRO A 6 -11.510 -26.818 1.098 1.00 0.00 N ATOM 34 CA PRO A 6 -10.031 -26.867 1.291 1.00 0.00 C ATOM 35 C PRO A 6 -9.248 -26.256 0.123 1.00 0.00 C ATOM 36 O PRO A 6 -8.034 -26.322 0.089 1.00 0.00 O ATOM 37 CB PRO A 6 -9.697 -28.365 1.420 1.00 0.00 C ATOM 38 CG PRO A 6 -10.985 -29.051 1.751 1.00 0.00 C ATOM 39 CD PRO A 6 -12.114 -28.174 1.194 1.00 0.00 C ATOM 0 HA PRO A 6 -9.746 -26.281 2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.277 -28.752 0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.954 -28.533 2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.016 -30.047 1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.090 -29.177 2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.451 -28.530 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.983 -28.177 1.853 1.00 0.00 H new ATOM 47 N ASP A 7 -9.903 -25.681 -0.843 1.00 0.00 N ATOM 48 CA ASP A 7 -9.125 -25.104 -1.980 1.00 0.00 C ATOM 49 C ASP A 7 -8.551 -23.741 -1.565 1.00 0.00 C ATOM 50 O ASP A 7 -7.803 -23.128 -2.298 1.00 0.00 O ATOM 51 CB ASP A 7 -10.010 -24.975 -3.237 1.00 0.00 C ATOM 52 CG ASP A 7 -11.017 -23.821 -3.121 1.00 0.00 C ATOM 53 OD1 ASP A 7 -10.736 -22.859 -2.428 1.00 0.00 O ATOM 54 OD2 ASP A 7 -12.054 -23.911 -3.760 1.00 0.00 O ATOM 0 H ASP A 7 -10.917 -25.584 -0.900 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.301 -25.773 -2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.377 -24.816 -4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.548 -25.909 -3.398 1.00 0.00 H new ATOM 59 N GLN A 8 -8.892 -23.268 -0.384 1.00 0.00 N ATOM 60 CA GLN A 8 -8.359 -21.952 0.088 1.00 0.00 C ATOM 61 C GLN A 8 -7.015 -22.199 0.764 1.00 0.00 C ATOM 62 O GLN A 8 -5.970 -21.852 0.262 1.00 0.00 O ATOM 63 CB GLN A 8 -9.333 -21.344 1.110 1.00 0.00 C ATOM 64 CG GLN A 8 -10.734 -21.357 0.511 1.00 0.00 C ATOM 65 CD GLN A 8 -11.741 -20.752 1.499 1.00 0.00 C ATOM 66 OE1 GLN A 8 -11.433 -20.541 2.655 1.00 0.00 O ATOM 67 NE2 GLN A 8 -12.947 -20.470 1.085 1.00 0.00 N ATOM 0 H GLN A 8 -9.517 -23.740 0.270 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.244 -21.267 -0.752 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.313 -21.915 2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.036 -20.325 1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.744 -20.792 -0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.023 -22.379 0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.207 -20.646 0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.629 -20.073 1.732 1.00 0.00 H new ATOM 76 N ARG A 9 -7.046 -22.819 1.899 1.00 0.00 N ATOM 77 CA ARG A 9 -5.792 -23.130 2.630 1.00 0.00 C ATOM 78 C ARG A 9 -4.826 -23.897 1.710 1.00 0.00 C ATOM 79 O ARG A 9 -3.627 -23.705 1.754 1.00 0.00 O ATOM 80 CB ARG A 9 -6.134 -24.010 3.827 1.00 0.00 C ATOM 81 CG ARG A 9 -4.926 -24.102 4.751 1.00 0.00 C ATOM 82 CD ARG A 9 -5.194 -25.168 5.813 1.00 0.00 C ATOM 83 NE ARG A 9 -6.298 -24.729 6.713 1.00 0.00 N ATOM 84 CZ ARG A 9 -6.900 -25.610 7.457 1.00 0.00 C ATOM 85 NH1 ARG A 9 -6.544 -26.861 7.387 1.00 0.00 N ATOM 86 NH2 ARG A 9 -7.853 -25.244 8.266 1.00 0.00 N ATOM 0 H ARG A 9 -7.900 -23.130 2.362 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.320 -22.203 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.986 -23.595 4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.424 -25.005 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.033 -24.356 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.739 -23.138 5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.458 -26.111 5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.290 -25.348 6.395 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.578 -23.749 6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.798 -27.144 6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.011 -27.558 7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.130 -24.264 8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.323 -25.938 8.848 1.00 0.00 H new ATOM 100 N SER A 10 -5.341 -24.807 0.924 1.00 0.00 N ATOM 101 CA SER A 10 -4.454 -25.636 0.051 1.00 0.00 C ATOM 102 C SER A 10 -3.637 -24.792 -0.938 1.00 0.00 C ATOM 103 O SER A 10 -2.448 -24.973 -1.060 1.00 0.00 O ATOM 104 CB SER A 10 -5.309 -26.624 -0.748 1.00 0.00 C ATOM 105 OG SER A 10 -5.878 -27.590 0.129 1.00 0.00 O ATOM 0 H SER A 10 -6.337 -25.013 0.848 1.00 0.00 H new ATOM 0 HA SER A 10 -3.755 -26.154 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.099 -26.090 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.698 -27.120 -1.503 1.00 0.00 H new ATOM 0 HG SER A 10 -6.842 -27.432 0.209 1.00 0.00 H new ATOM 111 N LYS A 11 -4.235 -23.892 -1.667 1.00 0.00 N ATOM 112 CA LYS A 11 -3.419 -23.105 -2.641 1.00 0.00 C ATOM 113 C LYS A 11 -2.388 -22.241 -1.904 1.00 0.00 C ATOM 114 O LYS A 11 -1.237 -22.166 -2.284 1.00 0.00 O ATOM 115 CB LYS A 11 -4.329 -22.216 -3.510 1.00 0.00 C ATOM 116 CG LYS A 11 -4.768 -20.949 -2.750 1.00 0.00 C ATOM 117 CD LYS A 11 -5.862 -20.232 -3.545 1.00 0.00 C ATOM 118 CE LYS A 11 -6.054 -18.806 -3.006 1.00 0.00 C ATOM 119 NZ LYS A 11 -6.455 -18.849 -1.568 1.00 0.00 N ATOM 0 H LYS A 11 -5.230 -23.668 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.890 -23.804 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.801 -21.932 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.209 -22.782 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.138 -21.215 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.916 -20.286 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.593 -20.197 -4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.798 -20.786 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.129 -18.240 -3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.816 -18.289 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.424 -18.486 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.416 -19.830 -1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.805 -18.261 -1.009 1.00 0.00 H new ATOM 133 N PHE A 12 -2.805 -21.572 -0.859 1.00 0.00 N ATOM 134 CA PHE A 12 -1.857 -20.696 -0.110 1.00 0.00 C ATOM 135 C PHE A 12 -0.667 -21.512 0.447 1.00 0.00 C ATOM 136 O PHE A 12 0.455 -21.059 0.444 1.00 0.00 O ATOM 137 CB PHE A 12 -2.601 -19.944 1.028 1.00 0.00 C ATOM 138 CG PHE A 12 -1.607 -19.455 2.067 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.178 -20.338 3.062 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.111 -18.140 2.038 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.260 -19.914 4.030 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.193 -17.720 3.008 1.00 0.00 C ATOM 143 CZ PHE A 12 0.231 -18.607 4.003 1.00 0.00 C ATOM 0 H PHE A 12 -3.757 -21.595 -0.494 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.453 -19.957 -0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.153 -19.099 0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.331 -20.605 1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.556 -21.350 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.437 -17.455 1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.069 -20.598 4.798 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.188 -16.710 2.988 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.939 -18.281 4.751 1.00 0.00 H new ATOM 153 N GLU A 13 -0.887 -22.700 0.952 1.00 0.00 N ATOM 154 CA GLU A 13 0.272 -23.468 1.514 1.00 0.00 C ATOM 155 C GLU A 13 1.189 -24.026 0.409 1.00 0.00 C ATOM 156 O GLU A 13 2.324 -24.362 0.680 1.00 0.00 O ATOM 157 CB GLU A 13 -0.225 -24.616 2.403 1.00 0.00 C ATOM 158 CG GLU A 13 -1.034 -25.612 1.578 1.00 0.00 C ATOM 159 CD GLU A 13 -1.615 -26.695 2.493 1.00 0.00 C ATOM 160 OE1 GLU A 13 -0.950 -27.699 2.691 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.721 -26.503 2.974 1.00 0.00 O ATOM 0 H GLU A 13 -1.794 -23.164 1.001 1.00 0.00 H new ATOM 0 HA GLU A 13 0.857 -22.770 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.623 -25.121 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.839 -24.219 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.839 -25.095 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.400 -26.068 0.817 1.00 0.00 H new ATOM 168 N ASN A 14 0.719 -24.164 -0.815 1.00 0.00 N ATOM 169 CA ASN A 14 1.598 -24.748 -1.894 1.00 0.00 C ATOM 170 C ASN A 14 2.149 -23.705 -2.889 1.00 0.00 C ATOM 171 O ASN A 14 3.104 -23.981 -3.584 1.00 0.00 O ATOM 172 CB ASN A 14 0.816 -25.818 -2.656 1.00 0.00 C ATOM 173 CG ASN A 14 -0.524 -25.271 -3.140 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.606 -24.165 -3.639 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.587 -26.013 -2.996 1.00 0.00 N ATOM 0 H ASN A 14 -0.221 -23.902 -1.112 1.00 0.00 H new ATOM 0 HA ASN A 14 2.465 -25.175 -1.390 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.401 -26.164 -3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.650 -26.681 -2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.496 -25.667 -3.303 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.509 -26.939 -2.576 1.00 0.00 H new ATOM 182 N GLU A 15 1.588 -22.524 -2.992 1.00 0.00 N ATOM 183 CA GLU A 15 2.152 -21.536 -3.980 1.00 0.00 C ATOM 184 C GLU A 15 3.397 -20.850 -3.386 1.00 0.00 C ATOM 185 O GLU A 15 3.331 -20.167 -2.384 1.00 0.00 O ATOM 186 CB GLU A 15 1.095 -20.483 -4.355 1.00 0.00 C ATOM 187 CG GLU A 15 -0.076 -21.151 -5.095 1.00 0.00 C ATOM 188 CD GLU A 15 0.409 -21.768 -6.405 1.00 0.00 C ATOM 189 OE1 GLU A 15 1.455 -21.356 -6.883 1.00 0.00 O ATOM 190 OE2 GLU A 15 -0.271 -22.643 -6.913 1.00 0.00 O ATOM 0 H GLU A 15 0.785 -22.202 -2.452 1.00 0.00 H new ATOM 0 HA GLU A 15 2.439 -22.073 -4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.731 -19.985 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.543 -19.715 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.521 -21.921 -4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.854 -20.415 -5.298 1.00 0.00 H new ATOM 197 N GLU A 16 4.533 -21.033 -4.014 1.00 0.00 N ATOM 198 CA GLU A 16 5.806 -20.419 -3.521 1.00 0.00 C ATOM 199 C GLU A 16 5.867 -18.922 -3.877 1.00 0.00 C ATOM 200 O GLU A 16 6.779 -18.219 -3.496 1.00 0.00 O ATOM 201 CB GLU A 16 6.983 -21.163 -4.146 1.00 0.00 C ATOM 202 CG GLU A 16 6.954 -22.618 -3.679 1.00 0.00 C ATOM 203 CD GLU A 16 8.101 -23.391 -4.336 1.00 0.00 C ATOM 204 OE1 GLU A 16 8.020 -23.627 -5.529 1.00 0.00 O ATOM 205 OE2 GLU A 16 9.036 -23.741 -3.634 1.00 0.00 O ATOM 0 H GLU A 16 4.633 -21.591 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 16 5.850 -20.502 -2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.925 -21.115 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.923 -20.693 -3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.046 -22.664 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.999 -23.075 -3.938 1.00 0.00 H new ATOM 212 N PHE A 17 4.919 -18.448 -4.623 1.00 0.00 N ATOM 213 CA PHE A 17 4.903 -17.010 -5.028 1.00 0.00 C ATOM 214 C PHE A 17 4.954 -16.091 -3.794 1.00 0.00 C ATOM 215 O PHE A 17 5.322 -14.938 -3.890 1.00 0.00 O ATOM 216 CB PHE A 17 3.616 -16.792 -5.863 1.00 0.00 C ATOM 217 CG PHE A 17 3.061 -15.387 -5.702 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.848 -14.272 -6.026 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.748 -15.205 -5.233 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.324 -12.981 -5.877 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.226 -13.917 -5.087 1.00 0.00 C ATOM 222 CZ PHE A 17 2.012 -12.805 -5.406 1.00 0.00 C ATOM 0 H PHE A 17 4.138 -19.000 -4.979 1.00 0.00 H new ATOM 0 HA PHE A 17 5.781 -16.759 -5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.831 -16.978 -6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.860 -17.517 -5.560 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.856 -14.408 -6.390 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.141 -16.063 -4.985 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.929 -12.121 -6.124 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.217 -13.780 -4.728 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.610 -11.809 -5.290 1.00 0.00 H new ATOM 232 N PHE A 18 4.576 -16.558 -2.643 1.00 0.00 N ATOM 233 CA PHE A 18 4.609 -15.653 -1.463 1.00 0.00 C ATOM 234 C PHE A 18 6.041 -15.344 -1.044 1.00 0.00 C ATOM 235 O PHE A 18 6.436 -14.203 -0.977 1.00 0.00 O ATOM 236 CB PHE A 18 3.871 -16.307 -0.306 1.00 0.00 C ATOM 237 CG PHE A 18 2.520 -16.754 -0.792 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.604 -15.819 -1.295 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.185 -18.108 -0.757 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.353 -16.247 -1.760 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.945 -18.530 -1.221 1.00 0.00 C ATOM 242 CZ PHE A 18 0.025 -17.605 -1.723 1.00 0.00 C ATOM 0 H PHE A 18 4.251 -17.509 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 18 4.124 -14.715 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.438 -17.158 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.763 -15.604 0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.862 -14.771 -1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.890 -18.828 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.356 -15.529 -2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.690 -19.579 -1.194 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.937 -17.939 -2.082 1.00 0.00 H new ATOM 252 N ARG A 19 6.822 -16.328 -0.736 1.00 0.00 N ATOM 253 CA ARG A 19 8.211 -16.026 -0.311 1.00 0.00 C ATOM 254 C ARG A 19 8.986 -15.381 -1.466 1.00 0.00 C ATOM 255 O ARG A 19 9.870 -14.577 -1.253 1.00 0.00 O ATOM 256 CB ARG A 19 8.913 -17.305 0.182 1.00 0.00 C ATOM 257 CG ARG A 19 8.355 -18.550 -0.549 1.00 0.00 C ATOM 258 CD ARG A 19 7.217 -19.192 0.266 1.00 0.00 C ATOM 259 NE ARG A 19 6.885 -20.522 -0.312 1.00 0.00 N ATOM 260 CZ ARG A 19 6.133 -21.355 0.355 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.650 -21.008 1.518 1.00 0.00 N ATOM 262 NH2 ARG A 19 5.867 -22.534 -0.137 1.00 0.00 N ATOM 0 H ARG A 19 6.568 -17.316 -0.758 1.00 0.00 H new ATOM 0 HA ARG A 19 8.182 -15.319 0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.986 -17.226 0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.770 -17.413 1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.988 -18.265 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.153 -19.276 -0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.518 -19.301 1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.338 -18.548 0.254 1.00 0.00 H new ATOM 0 HE ARG A 19 7.245 -20.783 -1.230 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.861 -20.087 1.904 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.062 -21.658 2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.247 -22.806 -1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.279 -23.184 0.385 1.00 0.00 H new ATOM 276 N LYS A 20 8.680 -15.738 -2.689 1.00 0.00 N ATOM 277 CA LYS A 20 9.428 -15.149 -3.834 1.00 0.00 C ATOM 278 C LYS A 20 9.232 -13.633 -3.885 1.00 0.00 C ATOM 279 O LYS A 20 10.139 -12.907 -4.244 1.00 0.00 O ATOM 280 CB LYS A 20 8.943 -15.779 -5.140 1.00 0.00 C ATOM 281 CG LYS A 20 9.366 -17.252 -5.176 1.00 0.00 C ATOM 282 CD LYS A 20 8.856 -17.921 -6.460 1.00 0.00 C ATOM 283 CE LYS A 20 9.779 -17.602 -7.642 1.00 0.00 C ATOM 284 NZ LYS A 20 9.297 -18.333 -8.855 1.00 0.00 N ATOM 0 H LYS A 20 7.951 -16.406 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 20 10.490 -15.355 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.859 -15.698 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.364 -15.246 -5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.452 -17.327 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.970 -17.773 -4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.801 -19.000 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.845 -17.577 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.790 -16.528 -7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.803 -17.895 -7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.920 -18.119 -9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.308 -19.356 -8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.327 -18.032 -9.079 1.00 0.00 H new ATOM 298 N LEU A 21 8.059 -13.144 -3.541 1.00 0.00 N ATOM 299 CA LEU A 21 7.818 -11.660 -3.590 1.00 0.00 C ATOM 300 C LEU A 21 7.100 -11.157 -2.338 1.00 0.00 C ATOM 301 O LEU A 21 7.297 -10.028 -1.937 1.00 0.00 O ATOM 302 CB LEU A 21 6.942 -11.317 -4.787 1.00 0.00 C ATOM 303 CG LEU A 21 7.676 -11.618 -6.093 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.704 -11.404 -7.254 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.891 -10.675 -6.259 1.00 0.00 C ATOM 0 H LEU A 21 7.264 -13.703 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 21 8.795 -11.183 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.016 -11.890 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.666 -10.263 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 21 8.035 -12.647 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.210 -11.614 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.851 -12.074 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.356 -10.371 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.403 -10.902 -7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.549 -9.640 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.578 -10.817 -5.425 1.00 0.00 H new ATOM 317 N SER A 22 6.260 -11.943 -1.719 1.00 0.00 N ATOM 318 CA SER A 22 5.549 -11.431 -0.510 1.00 0.00 C ATOM 319 C SER A 22 6.502 -11.479 0.695 1.00 0.00 C ATOM 320 O SER A 22 6.262 -12.153 1.681 1.00 0.00 O ATOM 321 CB SER A 22 4.288 -12.264 -0.242 1.00 0.00 C ATOM 322 OG SER A 22 4.652 -13.464 0.414 1.00 0.00 O ATOM 0 H SER A 22 6.037 -12.901 -1.991 1.00 0.00 H new ATOM 0 HA SER A 22 5.240 -10.399 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.588 -11.698 0.372 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.780 -12.488 -1.180 1.00 0.00 H new ATOM 0 HG SER A 22 5.016 -13.255 1.299 1.00 0.00 H new ATOM 328 N ARG A 23 7.597 -10.763 0.602 1.00 0.00 N ATOM 329 CA ARG A 23 8.610 -10.739 1.708 1.00 0.00 C ATOM 330 C ARG A 23 9.175 -9.306 1.815 1.00 0.00 C ATOM 331 O ARG A 23 8.747 -8.427 1.090 1.00 0.00 O ATOM 332 CB ARG A 23 9.726 -11.734 1.356 1.00 0.00 C ATOM 333 CG ARG A 23 10.445 -12.178 2.625 1.00 0.00 C ATOM 334 CD ARG A 23 11.566 -13.147 2.280 1.00 0.00 C ATOM 335 NE ARG A 23 12.228 -13.573 3.543 1.00 0.00 N ATOM 336 CZ ARG A 23 13.012 -14.612 3.536 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.198 -15.270 2.425 1.00 0.00 N ATOM 338 NH2 ARG A 23 13.602 -14.998 4.636 1.00 0.00 N ATOM 0 H ARG A 23 7.836 -10.186 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 23 8.166 -11.020 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.305 -12.600 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.435 -11.271 0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.851 -11.310 3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.738 -12.654 3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.169 -14.013 1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.288 -12.671 1.616 1.00 0.00 H new ATOM 0 HE ARG A 23 12.069 -13.055 4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.731 -14.969 1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.811 -16.085 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.449 -14.485 5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.216 -15.813 4.627 1.00 0.00 H new ATOM 352 N GLU A 24 10.104 -9.033 2.717 1.00 0.00 N ATOM 353 CA GLU A 24 10.645 -7.641 2.808 1.00 0.00 C ATOM 354 C GLU A 24 11.291 -7.274 1.462 1.00 0.00 C ATOM 355 O GLU A 24 12.293 -7.838 1.070 1.00 0.00 O ATOM 356 CB GLU A 24 11.688 -7.540 3.937 1.00 0.00 C ATOM 357 CG GLU A 24 12.644 -8.745 3.897 1.00 0.00 C ATOM 358 CD GLU A 24 13.698 -8.618 4.995 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.524 -7.782 5.865 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.665 -9.360 4.941 1.00 0.00 O ATOM 0 H GLU A 24 10.499 -9.703 3.377 1.00 0.00 H new ATOM 0 HA GLU A 24 9.833 -6.950 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.255 -6.615 3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.184 -7.500 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.081 -9.669 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.129 -8.802 2.922 1.00 0.00 H new ATOM 367 N CYS A 25 10.720 -6.330 0.746 1.00 0.00 N ATOM 368 CA CYS A 25 11.290 -5.921 -0.586 1.00 0.00 C ATOM 369 C CYS A 25 11.435 -4.392 -0.647 1.00 0.00 C ATOM 370 O CYS A 25 10.691 -3.665 -0.021 1.00 0.00 O ATOM 371 CB CYS A 25 10.333 -6.380 -1.694 1.00 0.00 C ATOM 372 SG CYS A 25 10.317 -8.190 -1.782 1.00 0.00 S ATOM 0 H CYS A 25 9.881 -5.823 1.026 1.00 0.00 H new ATOM 0 HA CYS A 25 12.270 -6.379 -0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.328 -6.008 -1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.644 -5.963 -2.652 1.00 0.00 H new ATOM 0 HG CYS A 25 9.729 -8.671 -0.727 1.00 0.00 H new ATOM 378 N GLU A 26 12.379 -3.899 -1.417 1.00 0.00 N ATOM 379 CA GLU A 26 12.563 -2.417 -1.544 1.00 0.00 C ATOM 380 C GLU A 26 11.341 -1.814 -2.239 1.00 0.00 C ATOM 381 O GLU A 26 10.761 -2.427 -3.113 1.00 0.00 O ATOM 382 CB GLU A 26 13.804 -2.123 -2.394 1.00 0.00 C ATOM 383 CG GLU A 26 15.049 -2.701 -1.724 1.00 0.00 C ATOM 384 CD GLU A 26 16.280 -2.398 -2.580 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.665 -1.244 -2.647 1.00 0.00 O ATOM 386 OE2 GLU A 26 16.822 -3.330 -3.150 1.00 0.00 O ATOM 0 H GLU A 26 13.031 -4.461 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 26 12.683 -1.984 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.684 -2.554 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.918 -1.047 -2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.171 -2.273 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.939 -3.778 -1.596 1.00 0.00 H new ATOM 393 N ILE A 27 10.942 -0.618 -1.873 1.00 0.00 N ATOM 394 CA ILE A 27 9.750 0.006 -2.539 1.00 0.00 C ATOM 395 C ILE A 27 9.975 1.501 -2.750 1.00 0.00 C ATOM 396 O ILE A 27 10.750 2.141 -2.053 1.00 0.00 O ATOM 397 CB ILE A 27 8.505 -0.214 -1.668 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.583 0.634 -0.378 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.431 -1.690 -1.286 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.292 0.494 0.448 1.00 0.00 C ATOM 0 H ILE A 27 11.384 -0.051 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 27 9.605 -0.463 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 27 7.621 0.085 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.438 0.318 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.744 1.681 -0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.551 -1.862 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.363 -2.297 -2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.326 -1.967 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.370 1.100 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.442 0.834 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.148 -0.551 0.723 1.00 0.00 H new ATOM 412 N LYS A 28 9.264 2.085 -3.679 1.00 0.00 N ATOM 413 CA LYS A 28 9.410 3.548 -3.906 1.00 0.00 C ATOM 414 C LYS A 28 8.094 4.140 -4.394 1.00 0.00 C ATOM 415 O LYS A 28 7.403 3.579 -5.233 1.00 0.00 O ATOM 416 CB LYS A 28 10.520 3.834 -4.926 1.00 0.00 C ATOM 417 CG LYS A 28 10.113 3.378 -6.331 1.00 0.00 C ATOM 418 CD LYS A 28 9.729 1.893 -6.335 1.00 0.00 C ATOM 419 CE LYS A 28 9.741 1.376 -7.775 1.00 0.00 C ATOM 420 NZ LYS A 28 8.688 2.092 -8.550 1.00 0.00 N ATOM 0 H LYS A 28 8.593 1.613 -4.286 1.00 0.00 H new ATOM 0 HA LYS A 28 9.682 4.013 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.741 4.901 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.434 3.322 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.272 3.976 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.936 3.547 -7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.429 1.322 -5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.740 1.759 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.719 1.540 -8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.558 0.302 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.533 1.606 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.802 2.100 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.993 3.070 -8.729 1.00 0.00 H new ATOM 434 N TYR A 29 7.762 5.284 -3.866 1.00 0.00 N ATOM 435 CA TYR A 29 6.507 5.985 -4.245 1.00 0.00 C ATOM 436 C TYR A 29 6.595 6.420 -5.727 1.00 0.00 C ATOM 437 O TYR A 29 7.660 6.711 -6.238 1.00 0.00 O ATOM 438 CB TYR A 29 6.388 7.221 -3.321 1.00 0.00 C ATOM 439 CG TYR A 29 4.936 7.542 -3.053 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.170 8.195 -4.022 1.00 0.00 C ATOM 441 CD2 TYR A 29 4.353 7.173 -1.830 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.821 8.480 -3.770 1.00 0.00 C ATOM 443 CE2 TYR A 29 3.006 7.457 -1.584 1.00 0.00 C ATOM 444 CZ TYR A 29 2.242 8.110 -2.555 1.00 0.00 C ATOM 445 OH TYR A 29 0.916 8.384 -2.307 1.00 0.00 O ATOM 0 H TYR A 29 8.324 5.774 -3.170 1.00 0.00 H new ATOM 0 HA TYR A 29 5.635 5.341 -4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.904 7.030 -2.380 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.877 8.078 -3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.616 8.480 -4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.945 6.670 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.228 8.987 -4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.556 7.172 -0.644 1.00 0.00 H new ATOM 0 HH TYR A 29 0.676 8.057 -1.415 1.00 0.00 H new ATOM 455 N THR A 30 5.480 6.461 -6.417 1.00 0.00 N ATOM 456 CA THR A 30 5.490 6.875 -7.856 1.00 0.00 C ATOM 457 C THR A 30 5.583 8.404 -7.954 1.00 0.00 C ATOM 458 O THR A 30 4.875 9.125 -7.282 1.00 0.00 O ATOM 459 CB THR A 30 4.191 6.398 -8.525 1.00 0.00 C ATOM 460 OG1 THR A 30 4.257 6.645 -9.921 1.00 0.00 O ATOM 461 CG2 THR A 30 2.980 7.137 -7.933 1.00 0.00 C ATOM 0 H THR A 30 4.561 6.225 -6.044 1.00 0.00 H new ATOM 0 HA THR A 30 6.349 6.430 -8.358 1.00 0.00 H new ATOM 0 HB THR A 30 4.076 5.329 -8.344 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.429 6.339 -10.347 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.068 6.788 -8.417 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.921 6.939 -6.863 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.091 8.209 -8.099 1.00 0.00 H new ATOM 469 N GLY A 31 6.459 8.912 -8.782 1.00 0.00 N ATOM 470 CA GLY A 31 6.581 10.396 -8.915 1.00 0.00 C ATOM 471 C GLY A 31 7.818 10.738 -9.740 1.00 0.00 C ATOM 472 O GLY A 31 8.619 9.883 -10.060 1.00 0.00 O ATOM 0 H GLY A 31 7.092 8.368 -9.369 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.690 10.803 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.651 10.855 -7.929 1.00 0.00 H new ATOM 476 N PHE A 32 7.985 11.982 -10.093 1.00 0.00 N ATOM 477 CA PHE A 32 9.178 12.367 -10.900 1.00 0.00 C ATOM 478 C PHE A 32 10.340 12.728 -9.975 1.00 0.00 C ATOM 479 O PHE A 32 10.432 13.826 -9.461 1.00 0.00 O ATOM 480 CB PHE A 32 8.833 13.561 -11.778 1.00 0.00 C ATOM 481 CG PHE A 32 7.857 13.142 -12.850 1.00 0.00 C ATOM 482 CD1 PHE A 32 8.303 12.412 -13.957 1.00 0.00 C ATOM 483 CD2 PHE A 32 6.511 13.512 -12.751 1.00 0.00 C ATOM 484 CE1 PHE A 32 7.399 12.049 -14.963 1.00 0.00 C ATOM 485 CE2 PHE A 32 5.611 13.157 -13.759 1.00 0.00 C ATOM 486 CZ PHE A 32 6.055 12.427 -14.865 1.00 0.00 C ATOM 0 H PHE A 32 7.351 12.746 -9.859 1.00 0.00 H new ATOM 0 HA PHE A 32 9.472 11.526 -11.528 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.401 14.357 -11.172 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.738 13.962 -12.234 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.342 12.129 -14.036 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.167 14.073 -11.894 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.739 11.478 -15.814 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.573 13.446 -13.684 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.360 12.154 -15.645 1.00 0.00 H new ATOM 496 N ARG A 33 11.227 11.792 -9.773 1.00 0.00 N ATOM 497 CA ARG A 33 12.417 12.015 -8.898 1.00 0.00 C ATOM 498 C ARG A 33 13.261 13.169 -9.449 1.00 0.00 C ATOM 499 O ARG A 33 14.021 13.785 -8.730 1.00 0.00 O ATOM 500 CB ARG A 33 13.259 10.738 -8.847 1.00 0.00 C ATOM 501 CG ARG A 33 14.326 10.875 -7.763 1.00 0.00 C ATOM 502 CD ARG A 33 15.127 9.573 -7.656 1.00 0.00 C ATOM 503 NE ARG A 33 15.941 9.385 -8.895 1.00 0.00 N ATOM 504 CZ ARG A 33 16.929 8.526 -8.916 1.00 0.00 C ATOM 505 NH1 ARG A 33 17.222 7.833 -7.848 1.00 0.00 N ATOM 506 NH2 ARG A 33 17.631 8.377 -10.004 1.00 0.00 N ATOM 0 H ARG A 33 11.177 10.861 -10.186 1.00 0.00 H new ATOM 0 HA ARG A 33 12.081 12.269 -7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.622 9.878 -8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.729 10.560 -9.814 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.993 11.705 -7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.858 11.104 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.778 9.605 -6.782 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.452 8.728 -7.520 1.00 0.00 H new ATOM 0 HE ARG A 33 15.725 9.930 -9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.680 7.960 -6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.993 7.165 -7.869 1.00 0.00 H new ATOM 0 HH21 ARG A 33 17.410 8.928 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.402 7.709 -10.026 1.00 0.00 H new ATOM 520 N ASP A 34 13.166 13.456 -10.720 1.00 0.00 N ATOM 521 CA ASP A 34 14.001 14.557 -11.280 1.00 0.00 C ATOM 522 C ASP A 34 13.436 15.911 -10.846 1.00 0.00 C ATOM 523 O ASP A 34 14.001 16.948 -11.129 1.00 0.00 O ATOM 524 CB ASP A 34 14.035 14.471 -12.809 1.00 0.00 C ATOM 525 CG ASP A 34 14.880 13.272 -13.244 1.00 0.00 C ATOM 526 OD1 ASP A 34 15.366 12.566 -12.375 1.00 0.00 O ATOM 527 OD2 ASP A 34 15.043 13.092 -14.440 1.00 0.00 O ATOM 0 H ASP A 34 12.555 12.983 -11.386 1.00 0.00 H new ATOM 0 HA ASP A 34 15.018 14.456 -10.900 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.022 14.374 -13.199 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.450 15.389 -13.225 1.00 0.00 H new ATOM 532 N ARG A 35 12.350 15.917 -10.128 1.00 0.00 N ATOM 533 CA ARG A 35 11.792 17.209 -9.647 1.00 0.00 C ATOM 534 C ARG A 35 12.550 17.625 -8.382 1.00 0.00 C ATOM 535 O ARG A 35 12.905 16.781 -7.586 1.00 0.00 O ATOM 536 CB ARG A 35 10.319 17.027 -9.296 1.00 0.00 C ATOM 537 CG ARG A 35 9.500 16.759 -10.560 1.00 0.00 C ATOM 538 CD ARG A 35 9.363 18.034 -11.405 1.00 0.00 C ATOM 539 NE ARG A 35 10.514 18.130 -12.354 1.00 0.00 N ATOM 540 CZ ARG A 35 10.458 18.943 -13.374 1.00 0.00 C ATOM 541 NH1 ARG A 35 9.353 19.584 -13.628 1.00 0.00 N ATOM 542 NH2 ARG A 35 11.496 19.091 -14.156 1.00 0.00 N ATOM 0 H ARG A 35 11.826 15.086 -9.854 1.00 0.00 H new ATOM 0 HA ARG A 35 11.894 17.968 -10.423 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.204 16.198 -8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.945 17.920 -8.795 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.979 15.977 -11.149 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.511 16.391 -10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.423 18.018 -11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.337 18.911 -10.758 1.00 0.00 H new ATOM 0 HE ARG A 35 11.346 17.559 -12.204 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.537 19.450 -13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.304 20.220 -14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.353 18.570 -13.970 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.448 19.727 -14.952 1.00 0.00 H new ATOM 556 N PRO A 36 12.790 18.905 -8.175 1.00 0.00 N ATOM 557 CA PRO A 36 13.498 19.390 -6.957 1.00 0.00 C ATOM 558 C PRO A 36 13.098 18.606 -5.697 1.00 0.00 C ATOM 559 O PRO A 36 12.159 17.833 -5.697 1.00 0.00 O ATOM 560 CB PRO A 36 13.036 20.842 -6.858 1.00 0.00 C ATOM 561 CG PRO A 36 12.873 21.282 -8.278 1.00 0.00 C ATOM 562 CD PRO A 36 12.431 20.033 -9.065 1.00 0.00 C ATOM 0 HA PRO A 36 14.579 19.270 -7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.099 20.923 -6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.768 21.456 -6.334 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.130 22.076 -8.357 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.808 21.680 -8.672 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.362 20.051 -9.275 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.943 19.963 -10.025 1.00 0.00 H new ATOM 570 N HIS A 37 13.795 18.808 -4.612 1.00 0.00 N ATOM 571 CA HIS A 37 13.442 18.073 -3.366 1.00 0.00 C ATOM 572 C HIS A 37 11.991 18.354 -3.018 1.00 0.00 C ATOM 573 O HIS A 37 11.418 17.741 -2.147 1.00 0.00 O ATOM 574 CB HIS A 37 14.341 18.536 -2.221 1.00 0.00 C ATOM 575 CG HIS A 37 14.023 19.957 -1.852 1.00 0.00 C ATOM 576 ND1 HIS A 37 14.420 21.038 -2.627 1.00 0.00 N ATOM 577 CD2 HIS A 37 13.335 20.489 -0.793 1.00 0.00 C ATOM 578 CE1 HIS A 37 13.968 22.155 -2.025 1.00 0.00 C ATOM 579 NE2 HIS A 37 13.299 21.879 -0.905 1.00 0.00 N ATOM 0 H HIS A 37 14.588 19.445 -4.535 1.00 0.00 H new ATOM 0 HA HIS A 37 13.584 17.003 -3.521 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.202 17.888 -1.355 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.387 18.455 -2.515 1.00 0.00 H new ATOM 0 HD2 HIS A 37 12.888 19.918 0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.128 23.154 -2.404 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.857 22.541 -0.268 1.00 0.00 H new ATOM 587 N GLU A 38 11.394 19.276 -3.700 1.00 0.00 N ATOM 588 CA GLU A 38 9.972 19.606 -3.416 1.00 0.00 C ATOM 589 C GLU A 38 9.102 18.360 -3.582 1.00 0.00 C ATOM 590 O GLU A 38 7.989 18.310 -3.100 1.00 0.00 O ATOM 591 CB GLU A 38 9.503 20.699 -4.374 1.00 0.00 C ATOM 592 CG GLU A 38 9.346 20.131 -5.788 1.00 0.00 C ATOM 593 CD GLU A 38 9.261 21.284 -6.793 1.00 0.00 C ATOM 594 OE1 GLU A 38 9.188 22.421 -6.355 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.274 21.010 -7.982 1.00 0.00 O ATOM 0 H GLU A 38 11.826 19.821 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 38 9.883 19.962 -2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.553 21.110 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.221 21.519 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.191 19.486 -6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.448 19.516 -5.847 1.00 0.00 H new ATOM 602 N GLU A 39 9.578 17.354 -4.268 1.00 0.00 N ATOM 603 CA GLU A 39 8.752 16.149 -4.447 1.00 0.00 C ATOM 604 C GLU A 39 8.541 15.449 -3.107 1.00 0.00 C ATOM 605 O GLU A 39 7.519 14.833 -2.883 1.00 0.00 O ATOM 606 CB GLU A 39 9.467 15.188 -5.403 1.00 0.00 C ATOM 607 CG GLU A 39 8.582 13.971 -5.609 1.00 0.00 C ATOM 608 CD GLU A 39 9.173 13.066 -6.684 1.00 0.00 C ATOM 609 OE1 GLU A 39 10.291 12.618 -6.497 1.00 0.00 O ATOM 610 OE2 GLU A 39 8.496 12.824 -7.669 1.00 0.00 O ATOM 0 H GLU A 39 10.499 17.325 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 39 7.784 16.439 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.665 15.679 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.431 14.890 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.485 13.421 -4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.580 14.286 -5.899 1.00 0.00 H new ATOM 617 N ARG A 40 9.491 15.500 -2.226 1.00 0.00 N ATOM 618 CA ARG A 40 9.302 14.771 -0.947 1.00 0.00 C ATOM 619 C ARG A 40 8.034 15.265 -0.226 1.00 0.00 C ATOM 620 O ARG A 40 7.170 14.477 0.119 1.00 0.00 O ATOM 621 CB ARG A 40 10.542 14.984 -0.050 1.00 0.00 C ATOM 622 CG ARG A 40 10.532 16.392 0.551 1.00 0.00 C ATOM 623 CD ARG A 40 11.901 16.722 1.151 1.00 0.00 C ATOM 624 NE ARG A 40 11.784 17.973 1.962 1.00 0.00 N ATOM 625 CZ ARG A 40 12.732 18.306 2.800 1.00 0.00 C ATOM 626 NH1 ARG A 40 13.813 17.580 2.877 1.00 0.00 N ATOM 627 NH2 ARG A 40 12.612 19.379 3.544 1.00 0.00 N ATOM 0 H ARG A 40 10.373 16.002 -2.329 1.00 0.00 H new ATOM 0 HA ARG A 40 9.183 13.708 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.553 14.241 0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.451 14.838 -0.634 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.279 17.122 -0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.764 16.461 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.248 15.899 1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.638 16.853 0.359 1.00 0.00 H new ATOM 0 HE ARG A 40 10.962 18.569 1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.917 16.756 2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.554 17.836 3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.776 19.959 3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.354 19.633 4.196 1.00 0.00 H new ATOM 641 N GLN A 41 7.894 16.552 -0.012 1.00 0.00 N ATOM 642 CA GLN A 41 6.680 17.055 0.698 1.00 0.00 C ATOM 643 C GLN A 41 5.482 17.147 -0.239 1.00 0.00 C ATOM 644 O GLN A 41 4.392 16.739 0.098 1.00 0.00 O ATOM 645 CB GLN A 41 6.962 18.425 1.314 1.00 0.00 C ATOM 646 CG GLN A 41 7.427 19.414 0.242 1.00 0.00 C ATOM 647 CD GLN A 41 7.890 20.710 0.926 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.537 20.671 1.954 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.579 21.866 0.400 1.00 0.00 N ATOM 0 H GLN A 41 8.562 17.268 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 41 6.438 16.343 1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.062 18.803 1.799 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.726 18.332 2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.242 18.983 -0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.615 19.625 -0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.036 21.904 -0.463 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.879 22.729 0.852 1.00 0.00 H new ATOM 658 N THR A 42 5.658 17.697 -1.400 1.00 0.00 N ATOM 659 CA THR A 42 4.503 17.826 -2.319 1.00 0.00 C ATOM 660 C THR A 42 3.932 16.449 -2.625 1.00 0.00 C ATOM 661 O THR A 42 2.737 16.275 -2.738 1.00 0.00 O ATOM 662 CB THR A 42 4.975 18.461 -3.623 1.00 0.00 C ATOM 663 OG1 THR A 42 5.545 19.730 -3.354 1.00 0.00 O ATOM 664 CG2 THR A 42 3.801 18.627 -4.586 1.00 0.00 C ATOM 0 H THR A 42 6.544 18.060 -1.751 1.00 0.00 H new ATOM 0 HA THR A 42 3.737 18.444 -1.851 1.00 0.00 H new ATOM 0 HB THR A 42 5.721 17.812 -4.081 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.509 19.631 -3.208 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.152 19.081 -5.513 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.367 17.651 -4.802 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.045 19.268 -4.131 1.00 0.00 H new ATOM 672 N ARG A 43 4.771 15.473 -2.813 1.00 0.00 N ATOM 673 CA ARG A 43 4.244 14.124 -3.152 1.00 0.00 C ATOM 674 C ARG A 43 3.332 13.606 -2.043 1.00 0.00 C ATOM 675 O ARG A 43 2.299 13.033 -2.318 1.00 0.00 O ATOM 676 CB ARG A 43 5.398 13.144 -3.408 1.00 0.00 C ATOM 677 CG ARG A 43 4.854 11.789 -3.923 1.00 0.00 C ATOM 678 CD ARG A 43 4.595 11.854 -5.437 1.00 0.00 C ATOM 679 NE ARG A 43 3.543 10.866 -5.787 1.00 0.00 N ATOM 680 CZ ARG A 43 2.936 10.941 -6.936 1.00 0.00 C ATOM 681 NH1 ARG A 43 3.293 11.844 -7.804 1.00 0.00 N ATOM 682 NH2 ARG A 43 1.978 10.107 -7.221 1.00 0.00 N ATOM 0 H ARG A 43 5.786 15.547 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 43 3.655 14.206 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.087 13.567 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.963 12.990 -2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.569 10.996 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.931 11.539 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.280 12.858 -5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.512 11.639 -5.986 1.00 0.00 H new ATOM 0 HE ARG A 43 3.296 10.129 -5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.049 12.493 -7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.817 11.902 -8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.703 9.395 -6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.502 10.165 -8.121 1.00 0.00 H new ATOM 696 N PHE A 44 3.697 13.757 -0.793 1.00 0.00 N ATOM 697 CA PHE A 44 2.798 13.228 0.268 1.00 0.00 C ATOM 698 C PHE A 44 1.460 13.954 0.275 1.00 0.00 C ATOM 699 O PHE A 44 0.422 13.343 0.312 1.00 0.00 O ATOM 700 CB PHE A 44 3.448 13.384 1.640 1.00 0.00 C ATOM 701 CG PHE A 44 4.645 12.466 1.747 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.486 11.079 1.619 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.915 13.007 1.959 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.597 10.239 1.706 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.029 12.168 2.042 1.00 0.00 C ATOM 706 CZ PHE A 44 6.873 10.783 1.917 1.00 0.00 C ATOM 0 H PHE A 44 4.553 14.210 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 44 2.627 12.173 0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.757 14.418 1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.727 13.149 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.504 10.661 1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.036 14.076 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.475 9.170 1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.011 12.588 2.203 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.734 10.134 1.983 1.00 0.00 H new ATOM 716 N GLN A 45 1.466 15.259 0.277 1.00 0.00 N ATOM 717 CA GLN A 45 0.166 15.987 0.333 1.00 0.00 C ATOM 718 C GLN A 45 -0.643 15.795 -0.948 1.00 0.00 C ATOM 719 O GLN A 45 -1.773 15.358 -0.917 1.00 0.00 O ATOM 720 CB GLN A 45 0.422 17.480 0.578 1.00 0.00 C ATOM 721 CG GLN A 45 1.523 18.034 -0.359 1.00 0.00 C ATOM 722 CD GLN A 45 2.454 18.963 0.427 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.448 20.162 0.234 1.00 0.00 O ATOM 724 NE2 GLN A 45 3.254 18.444 1.323 1.00 0.00 N ATOM 0 H GLN A 45 2.300 15.845 0.243 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.418 15.575 1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.502 18.038 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.717 17.633 1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.094 17.212 -0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.069 18.576 -1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.256 17.437 1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.875 19.047 1.862 1.00 0.00 H new ATOM 733 N ASN A 46 -0.087 16.120 -2.071 1.00 0.00 N ATOM 734 CA ASN A 46 -0.853 15.966 -3.342 1.00 0.00 C ATOM 735 C ASN A 46 -1.267 14.499 -3.555 1.00 0.00 C ATOM 736 O ASN A 46 -2.317 14.218 -4.098 1.00 0.00 O ATOM 737 CB ASN A 46 -0.005 16.446 -4.517 1.00 0.00 C ATOM 738 CG ASN A 46 1.186 15.509 -4.698 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.446 14.680 -3.854 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.921 15.595 -5.773 1.00 0.00 N ATOM 0 H ASN A 46 0.860 16.485 -2.172 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.757 16.571 -3.278 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.605 16.470 -5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.342 17.463 -4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.713 14.965 -5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.704 16.292 -6.485 1.00 0.00 H new ATOM 747 N ALA A 47 -0.476 13.555 -3.125 1.00 0.00 N ATOM 748 CA ALA A 47 -0.868 12.135 -3.323 1.00 0.00 C ATOM 749 C ALA A 47 -1.853 11.755 -2.224 1.00 0.00 C ATOM 750 O ALA A 47 -2.768 10.983 -2.423 1.00 0.00 O ATOM 751 CB ALA A 47 0.372 11.243 -3.234 1.00 0.00 C ATOM 0 H ALA A 47 0.415 13.704 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.327 12.003 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.083 10.202 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.085 11.533 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.833 11.358 -2.253 1.00 0.00 H new ATOM 757 N CYS A 48 -1.683 12.307 -1.062 1.00 0.00 N ATOM 758 CA CYS A 48 -2.617 11.998 0.046 1.00 0.00 C ATOM 759 C CYS A 48 -4.040 12.451 -0.304 1.00 0.00 C ATOM 760 O CYS A 48 -4.995 11.752 -0.022 1.00 0.00 O ATOM 761 CB CYS A 48 -2.121 12.681 1.306 1.00 0.00 C ATOM 762 SG CYS A 48 -0.771 11.693 1.986 1.00 0.00 S ATOM 0 H CYS A 48 -0.935 12.961 -0.831 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.650 10.921 0.210 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.778 13.691 1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.929 12.773 2.032 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.705 11.874 3.272 1.00 0.00 H new ATOM 768 N ARG A 49 -4.208 13.597 -0.929 1.00 0.00 N ATOM 769 CA ARG A 49 -5.598 14.017 -1.294 1.00 0.00 C ATOM 770 C ARG A 49 -6.148 12.974 -2.258 1.00 0.00 C ATOM 771 O ARG A 49 -7.240 12.467 -2.087 1.00 0.00 O ATOM 772 CB ARG A 49 -5.606 15.427 -1.922 1.00 0.00 C ATOM 773 CG ARG A 49 -4.473 15.568 -2.946 1.00 0.00 C ATOM 774 CD ARG A 49 -4.478 16.986 -3.533 1.00 0.00 C ATOM 775 NE ARG A 49 -3.865 17.929 -2.556 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.465 19.108 -2.944 1.00 0.00 C ATOM 777 NH1 ARG A 49 -3.618 19.480 -4.182 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.920 19.926 -2.087 1.00 0.00 N ATOM 0 H ARG A 49 -3.464 14.242 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.226 14.075 -0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.565 15.610 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.494 16.179 -1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.513 15.364 -2.471 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.597 14.834 -3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.923 17.005 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.499 17.294 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.758 17.652 -1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.053 18.848 -4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.303 20.403 -4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.807 19.644 -1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.607 20.848 -2.390 1.00 0.00 H new ATOM 792 N ASP A 50 -5.357 12.582 -3.224 1.00 0.00 N ATOM 793 CA ASP A 50 -5.780 11.497 -4.150 1.00 0.00 C ATOM 794 C ASP A 50 -5.124 10.222 -3.616 1.00 0.00 C ATOM 795 O ASP A 50 -4.051 9.830 -4.011 1.00 0.00 O ATOM 796 CB ASP A 50 -5.338 11.795 -5.596 1.00 0.00 C ATOM 797 CG ASP A 50 -3.830 12.074 -5.671 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.065 11.133 -5.564 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.473 13.222 -5.861 1.00 0.00 O ATOM 0 H ASP A 50 -4.432 12.971 -3.409 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.865 11.400 -4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.586 10.948 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.889 12.655 -5.977 1.00 0.00 H new ATOM 804 N GLY A 51 -5.759 9.611 -2.668 1.00 0.00 N ATOM 805 CA GLY A 51 -5.191 8.394 -2.019 1.00 0.00 C ATOM 806 C GLY A 51 -5.081 7.238 -3.015 1.00 0.00 C ATOM 807 O GLY A 51 -4.740 6.130 -2.652 1.00 0.00 O ATOM 0 H GLY A 51 -6.666 9.904 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.206 8.622 -1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.822 8.097 -1.181 1.00 0.00 H new ATOM 811 N ARG A 52 -5.320 7.485 -4.273 1.00 0.00 N ATOM 812 CA ARG A 52 -5.181 6.393 -5.278 1.00 0.00 C ATOM 813 C ARG A 52 -3.708 6.373 -5.659 1.00 0.00 C ATOM 814 O ARG A 52 -3.330 6.628 -6.786 1.00 0.00 O ATOM 815 CB ARG A 52 -6.016 6.725 -6.514 1.00 0.00 C ATOM 816 CG ARG A 52 -7.472 6.973 -6.105 1.00 0.00 C ATOM 817 CD ARG A 52 -8.319 7.288 -7.334 1.00 0.00 C ATOM 818 NE ARG A 52 -7.680 8.389 -8.093 1.00 0.00 N ATOM 819 CZ ARG A 52 -8.063 8.661 -9.303 1.00 0.00 C ATOM 820 NH1 ARG A 52 -9.017 7.969 -9.874 1.00 0.00 N ATOM 821 NH2 ARG A 52 -7.484 9.630 -9.944 1.00 0.00 N ATOM 0 H ARG A 52 -5.604 8.390 -4.648 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.517 5.434 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.613 7.608 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.964 5.905 -7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.869 6.094 -5.596 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.523 7.801 -5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.413 6.403 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.327 7.574 -7.033 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.935 8.936 -7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.468 7.207 -9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.309 8.192 -10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.740 10.165 -9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.773 9.857 -10.896 1.00 0.00 H new ATOM 835 N SER A 53 -2.881 6.118 -4.686 1.00 0.00 N ATOM 836 CA SER A 53 -1.405 6.114 -4.897 1.00 0.00 C ATOM 837 C SER A 53 -0.947 4.835 -5.596 1.00 0.00 C ATOM 838 O SER A 53 -1.432 3.759 -5.310 1.00 0.00 O ATOM 839 CB SER A 53 -0.718 6.217 -3.537 1.00 0.00 C ATOM 840 OG SER A 53 0.681 6.381 -3.731 1.00 0.00 O ATOM 0 H SER A 53 -3.171 5.907 -3.731 1.00 0.00 H new ATOM 0 HA SER A 53 -1.140 6.960 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.121 7.060 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.913 5.320 -2.949 1.00 0.00 H new ATOM 0 HG SER A 53 0.922 7.321 -3.596 1.00 0.00 H new ATOM 846 N GLU A 54 0.029 4.938 -6.471 1.00 0.00 N ATOM 847 CA GLU A 54 0.578 3.721 -7.150 1.00 0.00 C ATOM 848 C GLU A 54 2.034 3.571 -6.713 1.00 0.00 C ATOM 849 O GLU A 54 2.759 4.537 -6.603 1.00 0.00 O ATOM 850 CB GLU A 54 0.485 3.875 -8.673 1.00 0.00 C ATOM 851 CG GLU A 54 -0.988 3.927 -9.061 1.00 0.00 C ATOM 852 CD GLU A 54 -1.110 4.143 -10.566 1.00 0.00 C ATOM 853 OE1 GLU A 54 -0.696 5.192 -11.026 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.610 3.253 -11.236 1.00 0.00 O ATOM 0 H GLU A 54 0.469 5.817 -6.744 1.00 0.00 H new ATOM 0 HA GLU A 54 0.006 2.835 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.994 4.784 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.979 3.040 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.483 2.999 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.488 4.734 -8.525 1.00 0.00 H new ATOM 861 N ILE A 55 2.459 2.377 -6.439 1.00 0.00 N ATOM 862 CA ILE A 55 3.860 2.166 -5.980 1.00 0.00 C ATOM 863 C ILE A 55 4.328 0.807 -6.481 1.00 0.00 C ATOM 864 O ILE A 55 3.526 -0.024 -6.860 1.00 0.00 O ATOM 865 CB ILE A 55 3.906 2.246 -4.449 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.217 1.642 -3.911 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.708 1.513 -3.843 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.523 2.178 -2.502 1.00 0.00 C ATOM 0 H ILE A 55 1.896 1.530 -6.512 1.00 0.00 H new ATOM 0 HA ILE A 55 4.523 2.935 -6.377 1.00 0.00 H new ATOM 0 HB ILE A 55 3.863 3.297 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.138 0.555 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.039 1.885 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.754 1.578 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.784 1.972 -4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.731 0.466 -4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.453 1.739 -2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.624 3.263 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.709 1.912 -1.827 1.00 0.00 H new ATOM 880 N ALA A 56 5.613 0.576 -6.521 1.00 0.00 N ATOM 881 CA ALA A 56 6.100 -0.753 -7.046 1.00 0.00 C ATOM 882 C ALA A 56 7.366 -1.219 -6.323 1.00 0.00 C ATOM 883 O ALA A 56 8.018 -0.472 -5.616 1.00 0.00 O ATOM 884 CB ALA A 56 6.413 -0.635 -8.544 1.00 0.00 C ATOM 0 H ALA A 56 6.339 1.227 -6.223 1.00 0.00 H new ATOM 0 HA ALA A 56 5.309 -1.482 -6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.764 -1.596 -8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.511 -0.343 -9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.186 0.118 -8.696 1.00 0.00 H new ATOM 890 N PHE A 57 7.723 -2.462 -6.535 1.00 0.00 N ATOM 891 CA PHE A 57 8.957 -3.026 -5.912 1.00 0.00 C ATOM 892 C PHE A 57 10.142 -2.725 -6.832 1.00 0.00 C ATOM 893 O PHE A 57 10.091 -2.969 -8.020 1.00 0.00 O ATOM 894 CB PHE A 57 8.817 -4.551 -5.766 1.00 0.00 C ATOM 895 CG PHE A 57 7.651 -4.890 -4.860 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.784 -4.740 -3.477 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.446 -5.362 -5.399 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.717 -5.056 -2.631 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.376 -5.679 -4.548 1.00 0.00 C ATOM 900 CZ PHE A 57 5.514 -5.524 -3.166 1.00 0.00 C ATOM 0 H PHE A 57 7.204 -3.116 -7.121 1.00 0.00 H new ATOM 0 HA PHE A 57 9.109 -2.582 -4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.668 -5.004 -6.746 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.737 -4.970 -5.358 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.713 -4.379 -3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.341 -5.481 -6.467 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.823 -4.938 -1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.447 -6.042 -4.961 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.690 -5.766 -2.511 1.00 0.00 H new ATOM 910 N VAL A 58 11.208 -2.189 -6.309 1.00 0.00 N ATOM 911 CA VAL A 58 12.372 -1.881 -7.189 1.00 0.00 C ATOM 912 C VAL A 58 12.884 -3.168 -7.854 1.00 0.00 C ATOM 913 O VAL A 58 13.137 -3.208 -9.041 1.00 0.00 O ATOM 914 CB VAL A 58 13.508 -1.292 -6.347 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.706 -0.979 -7.245 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.043 -0.006 -5.654 1.00 0.00 C ATOM 0 H VAL A 58 11.325 -1.953 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 58 12.055 -1.170 -7.951 1.00 0.00 H new ATOM 0 HB VAL A 58 13.797 -2.021 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.512 -0.560 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.050 -1.895 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.411 -0.258 -8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.860 0.402 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.741 0.724 -6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.197 -0.228 -5.004 1.00 0.00 H new ATOM 926 N ALA A 59 13.043 -4.213 -7.085 1.00 0.00 N ATOM 927 CA ALA A 59 13.553 -5.506 -7.637 1.00 0.00 C ATOM 928 C ALA A 59 12.617 -6.070 -8.712 1.00 0.00 C ATOM 929 O ALA A 59 13.056 -6.542 -9.745 1.00 0.00 O ATOM 930 CB ALA A 59 13.640 -6.522 -6.501 1.00 0.00 C ATOM 0 H ALA A 59 12.839 -4.227 -6.086 1.00 0.00 H new ATOM 0 HA ALA A 59 14.529 -5.322 -8.086 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.011 -7.471 -6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.321 -6.153 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.651 -6.669 -6.068 1.00 0.00 H new ATOM 936 N THR A 60 11.330 -6.059 -8.457 1.00 0.00 N ATOM 937 CA THR A 60 10.355 -6.631 -9.438 1.00 0.00 C ATOM 938 C THR A 60 9.613 -5.502 -10.156 1.00 0.00 C ATOM 939 O THR A 60 9.236 -4.510 -9.565 1.00 0.00 O ATOM 940 CB THR A 60 9.351 -7.530 -8.692 1.00 0.00 C ATOM 941 OG1 THR A 60 10.039 -8.286 -7.698 1.00 0.00 O ATOM 942 CG2 THR A 60 8.686 -8.493 -9.684 1.00 0.00 C ATOM 0 H THR A 60 10.912 -5.677 -7.609 1.00 0.00 H new ATOM 0 HA THR A 60 10.891 -7.224 -10.179 1.00 0.00 H new ATOM 0 HB THR A 60 8.591 -6.907 -8.221 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.915 -7.864 -6.822 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.976 -9.128 -9.154 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.161 -7.922 -10.449 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.448 -9.114 -10.154 1.00 0.00 H new ATOM 950 N GLY A 61 9.412 -5.649 -11.434 1.00 0.00 N ATOM 951 CA GLY A 61 8.707 -4.593 -12.212 1.00 0.00 C ATOM 952 C GLY A 61 7.215 -4.630 -11.878 1.00 0.00 C ATOM 953 O GLY A 61 6.425 -3.875 -12.414 1.00 0.00 O ATOM 0 H GLY A 61 9.707 -6.460 -11.977 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.120 -3.613 -11.974 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.856 -4.751 -13.280 1.00 0.00 H new ATOM 957 N THR A 62 6.824 -5.507 -10.994 1.00 0.00 N ATOM 958 CA THR A 62 5.384 -5.597 -10.619 1.00 0.00 C ATOM 959 C THR A 62 4.983 -4.331 -9.861 1.00 0.00 C ATOM 960 O THR A 62 5.631 -3.940 -8.909 1.00 0.00 O ATOM 961 CB THR A 62 5.165 -6.818 -9.711 1.00 0.00 C ATOM 962 OG1 THR A 62 5.439 -8.009 -10.439 1.00 0.00 O ATOM 963 CG2 THR A 62 3.717 -6.841 -9.211 1.00 0.00 C ATOM 0 H THR A 62 7.439 -6.165 -10.515 1.00 0.00 H new ATOM 0 HA THR A 62 4.778 -5.698 -11.520 1.00 0.00 H new ATOM 0 HB THR A 62 5.837 -6.754 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.301 -8.786 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.568 -7.708 -8.568 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.513 -5.931 -8.646 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.039 -6.900 -10.062 1.00 0.00 H new ATOM 971 N ASN A 63 3.910 -3.696 -10.272 1.00 0.00 N ATOM 972 CA ASN A 63 3.439 -2.456 -9.582 1.00 0.00 C ATOM 973 C ASN A 63 2.051 -2.701 -8.992 1.00 0.00 C ATOM 974 O ASN A 63 1.144 -3.146 -9.670 1.00 0.00 O ATOM 975 CB ASN A 63 3.361 -1.305 -10.591 1.00 0.00 C ATOM 976 CG ASN A 63 2.822 -0.046 -9.899 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.569 0.858 -9.582 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.541 0.047 -9.643 1.00 0.00 N ATOM 0 H ASN A 63 3.337 -3.988 -11.063 1.00 0.00 H new ATOM 0 HA ASN A 63 4.138 -2.197 -8.786 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.348 -1.108 -11.009 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.712 -1.581 -11.422 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.173 0.877 -9.179 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.912 -0.711 -9.908 1.00 0.00 H new ATOM 985 N LEU A 64 1.883 -2.409 -7.725 1.00 0.00 N ATOM 986 CA LEU A 64 0.556 -2.613 -7.055 1.00 0.00 C ATOM 987 C LEU A 64 -0.071 -1.238 -6.743 1.00 0.00 C ATOM 988 O LEU A 64 0.594 -0.337 -6.272 1.00 0.00 O ATOM 989 CB LEU A 64 0.772 -3.360 -5.732 1.00 0.00 C ATOM 990 CG LEU A 64 1.428 -4.727 -5.981 1.00 0.00 C ATOM 991 CD1 LEU A 64 1.647 -5.443 -4.642 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.529 -5.602 -6.877 1.00 0.00 C ATOM 0 H LEU A 64 2.614 -2.035 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.100 -3.186 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.401 -2.764 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.183 -3.496 -5.225 1.00 0.00 H new ATOM 0 HG LEU A 64 2.383 -4.568 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.112 -6.413 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.297 -4.839 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.688 -5.587 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.009 -6.566 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.433 -5.755 -6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.375 -5.104 -7.834 1.00 0.00 H new ATOM 1004 N SER A 65 -1.351 -1.076 -6.994 1.00 0.00 N ATOM 1005 CA SER A 65 -2.038 0.231 -6.710 1.00 0.00 C ATOM 1006 C SER A 65 -2.986 0.061 -5.520 1.00 0.00 C ATOM 1007 O SER A 65 -3.514 -1.007 -5.307 1.00 0.00 O ATOM 1008 CB SER A 65 -2.853 0.636 -7.940 1.00 0.00 C ATOM 1009 OG SER A 65 -3.905 -0.305 -8.132 1.00 0.00 O ATOM 0 H SER A 65 -1.955 -1.798 -7.387 1.00 0.00 H new ATOM 0 HA SER A 65 -1.296 0.995 -6.480 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.263 1.637 -7.806 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.213 0.669 -8.821 1.00 0.00 H new ATOM 0 HG SER A 65 -4.432 -0.050 -8.918 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.216 1.100 -4.735 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.151 0.962 -3.567 1.00 0.00 C ATOM 1017 C LEU A 66 -4.895 2.292 -3.277 1.00 0.00 C ATOM 1018 O LEU A 66 -4.467 3.372 -3.672 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.362 0.516 -2.328 1.00 0.00 C ATOM 1020 CG LEU A 66 -2.008 1.247 -2.265 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.470 1.143 -0.835 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.985 0.627 -3.265 1.00 0.00 C ATOM 0 H LEU A 66 -2.801 2.024 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.901 0.210 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.938 0.725 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.200 -0.561 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.150 2.291 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.510 1.655 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.176 1.606 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.340 0.094 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.039 1.164 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.825 -0.422 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.375 0.705 -4.280 1.00 0.00 H new ATOM 1034 N GLN A 67 -6.016 2.213 -2.578 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.818 3.441 -2.245 1.00 0.00 C ATOM 1036 C GLN A 67 -7.128 3.433 -0.749 1.00 0.00 C ATOM 1037 O GLN A 67 -7.971 2.688 -0.288 1.00 0.00 O ATOM 1038 CB GLN A 67 -8.147 3.404 -3.008 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.878 3.231 -4.503 1.00 0.00 C ATOM 1040 CD GLN A 67 -9.201 3.222 -5.278 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -10.253 3.022 -4.704 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -9.193 3.444 -6.570 1.00 0.00 N ATOM 0 H GLN A 67 -6.409 1.341 -2.223 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.253 4.332 -2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.765 2.584 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.704 4.325 -2.833 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.242 4.040 -4.862 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.338 2.300 -4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.311 3.612 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.069 3.449 -7.092 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.463 4.253 0.020 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.739 4.269 1.499 1.00 0.00 C ATOM 1053 C PHE A 68 -7.845 5.275 1.820 1.00 0.00 C ATOM 1054 O PHE A 68 -8.964 4.913 2.121 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.458 4.638 2.284 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.541 5.461 1.411 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.746 4.810 0.465 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.486 6.858 1.535 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.895 5.548 -0.358 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.629 7.600 0.705 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.835 6.941 -0.241 1.00 0.00 C ATOM 0 H PHE A 68 -5.748 4.907 -0.300 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.063 3.272 1.798 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.720 5.198 3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.947 3.732 2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.790 3.735 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.101 7.361 2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.280 5.042 -1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.583 8.675 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.176 7.508 -0.881 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.525 6.534 1.762 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.534 7.589 2.070 1.00 0.00 C ATOM 1073 C PHE A 69 -8.327 8.783 1.138 1.00 0.00 C ATOM 1074 O PHE A 69 -7.697 9.756 1.506 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.359 8.056 3.515 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.392 9.115 3.836 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.759 8.803 3.794 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -8.986 10.415 4.171 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.714 9.789 4.084 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -9.940 11.398 4.461 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.303 11.087 4.416 1.00 0.00 C ATOM 0 H PHE A 69 -6.600 6.884 1.512 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.534 7.179 1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.466 7.212 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.356 8.457 3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.077 7.803 3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.934 10.659 4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.766 9.548 4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.623 12.398 4.720 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.038 11.847 4.637 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.850 8.722 -0.058 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.715 9.831 -1.045 1.00 0.00 C ATOM 1093 C PRO A 70 -9.798 10.912 -0.836 1.00 0.00 C ATOM 1094 O PRO A 70 -10.904 10.610 -0.436 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.900 9.105 -2.383 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.851 7.982 -2.081 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.624 7.595 -0.608 1.00 0.00 C ATOM 0 HA PRO A 70 -7.769 10.367 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.305 9.773 -3.143 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.951 8.728 -2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.883 8.294 -2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.667 7.132 -2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.568 7.464 -0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.078 6.656 -0.522 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.500 12.174 -1.089 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.540 13.234 -0.883 1.00 0.00 C ATOM 1107 C ALA A 71 -11.790 12.887 -1.701 1.00 0.00 C ATOM 1108 O ALA A 71 -12.902 13.044 -1.237 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.992 14.606 -1.311 1.00 0.00 C ATOM 0 H ALA A 71 -8.596 12.507 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.802 13.280 0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.757 15.367 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.113 14.849 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.718 14.576 -2.366 1.00 0.00 H new ATOM 1115 N SER A 72 -11.622 12.390 -2.903 1.00 0.00 N ATOM 1116 CA SER A 72 -12.824 12.005 -3.720 1.00 0.00 C ATOM 1117 C SER A 72 -12.389 11.210 -4.952 1.00 0.00 C ATOM 1118 O SER A 72 -11.541 11.642 -5.707 1.00 0.00 O ATOM 1119 CB SER A 72 -13.574 13.253 -4.181 1.00 0.00 C ATOM 1120 OG SER A 72 -14.840 12.871 -4.707 1.00 0.00 O ATOM 0 H SER A 72 -10.719 12.235 -3.352 1.00 0.00 H new ATOM 0 HA SER A 72 -13.478 11.394 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.706 13.941 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.996 13.780 -4.940 1.00 0.00 H new ATOM 0 HG SER A 72 -15.521 13.516 -4.422 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.977 10.064 -5.179 1.00 0.00 N ATOM 1127 CA TRP A 73 -12.594 9.263 -6.383 1.00 0.00 C ATOM 1128 C TRP A 73 -13.460 9.682 -7.578 1.00 0.00 C ATOM 1129 O TRP A 73 -13.014 10.382 -8.466 1.00 0.00 O ATOM 1130 CB TRP A 73 -12.793 7.766 -6.102 1.00 0.00 C ATOM 1131 CG TRP A 73 -12.596 6.960 -7.357 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -11.735 7.256 -8.363 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -13.261 5.720 -7.751 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -11.834 6.280 -9.342 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -12.762 5.314 -9.014 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -14.239 4.921 -7.142 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -13.220 4.156 -9.648 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -14.703 3.754 -7.775 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -14.197 3.373 -9.025 1.00 0.00 C ATOM 0 H TRP A 73 -13.699 9.650 -4.590 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.545 9.446 -6.614 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.088 7.437 -5.338 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -13.794 7.595 -5.707 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.079 8.113 -8.396 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.286 6.277 -10.202 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.639 5.204 -6.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.823 3.868 -10.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.455 3.147 -7.294 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -14.561 2.477 -9.506 1.00 0.00 H new ATOM 1150 N GLN A 74 -14.696 9.252 -7.611 1.00 0.00 N ATOM 1151 CA GLN A 74 -15.578 9.620 -8.759 1.00 0.00 C ATOM 1152 C GLN A 74 -16.138 11.033 -8.566 1.00 0.00 C ATOM 1153 O GLN A 74 -16.826 11.551 -9.425 1.00 0.00 O ATOM 1154 CB GLN A 74 -16.752 8.634 -8.846 1.00 0.00 C ATOM 1155 CG GLN A 74 -16.225 7.215 -9.052 1.00 0.00 C ATOM 1156 CD GLN A 74 -17.395 6.239 -9.198 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -18.511 6.536 -8.821 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -17.177 5.078 -9.744 1.00 0.00 N ATOM 0 H GLN A 74 -15.130 8.666 -6.898 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.988 9.583 -9.675 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.347 8.682 -7.934 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -17.410 8.910 -9.670 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -15.596 7.177 -9.941 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.601 6.924 -8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.239 4.831 -10.060 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -17.944 4.415 -9.856 1.00 0.00 H new ATOM 1167 N GLY A 75 -15.853 11.663 -7.451 1.00 0.00 N ATOM 1168 CA GLY A 75 -16.378 13.046 -7.196 1.00 0.00 C ATOM 1169 C GLY A 75 -15.277 14.073 -7.484 1.00 0.00 C ATOM 1170 O GLY A 75 -14.288 13.767 -8.119 1.00 0.00 O ATOM 0 H GLY A 75 -15.277 11.278 -6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.245 13.240 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.711 13.135 -6.162 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.424 15.286 -6.998 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.371 16.325 -7.227 1.00 0.00 C ATOM 1176 C GLU A 76 -13.457 16.324 -6.002 1.00 0.00 C ATOM 1177 O GLU A 76 -13.916 16.367 -4.877 1.00 0.00 O ATOM 1178 CB GLU A 76 -15.039 17.698 -7.390 1.00 0.00 C ATOM 1179 CG GLU A 76 -15.680 18.122 -6.062 1.00 0.00 C ATOM 1180 CD GLU A 76 -16.609 19.318 -6.281 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -16.115 20.360 -6.674 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -17.795 19.171 -6.044 1.00 0.00 O ATOM 0 H GLU A 76 -16.228 15.599 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.797 16.113 -8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.301 18.437 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.796 17.654 -8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.241 17.289 -5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.904 18.382 -5.342 1.00 0.00 H new ATOM 1189 N GLN A 77 -12.172 16.236 -6.189 1.00 0.00 N ATOM 1190 CA GLN A 77 -11.263 16.197 -5.005 1.00 0.00 C ATOM 1191 C GLN A 77 -11.191 17.568 -4.330 1.00 0.00 C ATOM 1192 O GLN A 77 -11.325 18.604 -4.953 1.00 0.00 O ATOM 1193 CB GLN A 77 -9.869 15.717 -5.434 1.00 0.00 C ATOM 1194 CG GLN A 77 -9.107 16.845 -6.136 1.00 0.00 C ATOM 1195 CD GLN A 77 -7.867 16.275 -6.828 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -7.899 15.176 -7.345 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -6.773 16.989 -6.876 1.00 0.00 N ATOM 0 H GLN A 77 -11.712 16.190 -7.098 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.663 15.493 -4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.309 15.380 -4.562 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.962 14.862 -6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.752 17.333 -6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.814 17.605 -5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.747 17.912 -6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.946 16.624 -7.348 1.00 0.00 H new ATOM 1206 N ARG A 78 -10.962 17.568 -3.045 1.00 0.00 N ATOM 1207 CA ARG A 78 -10.861 18.844 -2.278 1.00 0.00 C ATOM 1208 C ARG A 78 -9.377 19.159 -2.095 1.00 0.00 C ATOM 1209 O ARG A 78 -8.538 18.292 -2.226 1.00 0.00 O ATOM 1210 CB ARG A 78 -11.505 18.654 -0.908 1.00 0.00 C ATOM 1211 CG ARG A 78 -12.984 18.260 -1.049 1.00 0.00 C ATOM 1212 CD ARG A 78 -13.816 19.429 -1.599 1.00 0.00 C ATOM 1213 NE ARG A 78 -15.268 19.101 -1.494 1.00 0.00 N ATOM 1214 CZ ARG A 78 -16.165 20.051 -1.577 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -15.791 21.298 -1.699 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -17.435 19.751 -1.528 1.00 0.00 N ATOM 0 H ARG A 78 -10.839 16.725 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.365 19.654 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.970 17.883 -0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.423 19.576 -0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.073 17.401 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.377 17.954 -0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.597 20.339 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.550 19.621 -2.639 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.562 18.134 -1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.799 21.532 -1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.492 22.037 -1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.726 18.779 -1.425 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -18.136 20.489 -1.592 1.00 0.00 H new ATOM 1230 N GLN A 79 -9.035 20.387 -1.804 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.596 20.730 -1.629 1.00 0.00 C ATOM 1232 C GLN A 79 -7.119 20.323 -0.232 1.00 0.00 C ATOM 1233 O GLN A 79 -5.958 20.464 0.101 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.395 22.237 -1.849 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.370 23.044 -0.975 1.00 0.00 C ATOM 1236 CD GLN A 79 -9.733 23.191 -1.670 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -10.587 23.913 -1.197 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -9.980 22.536 -2.773 1.00 0.00 N ATOM 0 H GLN A 79 -9.687 21.162 -1.681 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.005 20.183 -2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.368 22.512 -1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.552 22.481 -2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.499 22.548 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.952 24.030 -0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.267 21.928 -3.176 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.886 22.633 -3.232 1.00 0.00 H new ATOM 1247 N THR A 80 -7.988 19.776 0.580 1.00 0.00 N ATOM 1248 CA THR A 80 -7.546 19.328 1.934 1.00 0.00 C ATOM 1249 C THR A 80 -6.922 17.930 1.780 1.00 0.00 C ATOM 1250 O THR A 80 -7.503 17.075 1.140 1.00 0.00 O ATOM 1251 CB THR A 80 -8.743 19.246 2.905 1.00 0.00 C ATOM 1252 OG1 THR A 80 -8.256 19.072 4.227 1.00 0.00 O ATOM 1253 CG2 THR A 80 -9.630 18.053 2.561 1.00 0.00 C ATOM 0 H THR A 80 -8.973 19.622 0.367 1.00 0.00 H new ATOM 0 HA THR A 80 -6.829 20.041 2.341 1.00 0.00 H new ATOM 0 HB THR A 80 -9.323 20.165 2.822 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.011 19.021 4.850 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.469 18.011 3.256 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.007 18.161 1.544 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.049 17.134 2.637 1.00 0.00 H new ATOM 1261 N PRO A 81 -5.765 17.674 2.344 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.116 16.336 2.234 1.00 0.00 C ATOM 1263 C PRO A 81 -5.770 15.321 3.187 1.00 0.00 C ATOM 1264 O PRO A 81 -6.772 15.613 3.813 1.00 0.00 O ATOM 1265 CB PRO A 81 -3.663 16.623 2.626 1.00 0.00 C ATOM 1266 CG PRO A 81 -3.764 17.746 3.607 1.00 0.00 C ATOM 1267 CD PRO A 81 -4.947 18.602 3.145 1.00 0.00 C ATOM 0 HA PRO A 81 -5.208 15.892 1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.190 15.747 3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.064 16.904 1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.926 17.369 4.617 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.844 18.330 3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.507 18.999 3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.616 19.455 2.553 1.00 0.00 H new ATOM 1275 N SER A 82 -5.226 14.140 3.305 1.00 0.00 N ATOM 1276 CA SER A 82 -5.833 13.118 4.222 1.00 0.00 C ATOM 1277 C SER A 82 -5.278 13.297 5.631 1.00 0.00 C ATOM 1278 O SER A 82 -4.117 13.054 5.887 1.00 0.00 O ATOM 1279 CB SER A 82 -5.492 11.714 3.725 1.00 0.00 C ATOM 1280 OG SER A 82 -5.622 10.797 4.801 1.00 0.00 O ATOM 0 H SER A 82 -4.389 13.834 2.809 1.00 0.00 H new ATOM 0 HA SER A 82 -6.915 13.250 4.235 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.157 11.432 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.476 11.691 3.332 1.00 0.00 H new ATOM 0 HG SER A 82 -5.406 9.894 4.489 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.102 13.716 6.552 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.614 13.912 7.942 1.00 0.00 C ATOM 1288 C ARG A 83 -5.054 12.595 8.473 1.00 0.00 C ATOM 1289 O ARG A 83 -4.112 12.571 9.239 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.769 14.386 8.842 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.259 14.606 10.276 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.419 15.076 11.154 1.00 0.00 C ATOM 1293 NE ARG A 83 -6.904 15.506 12.491 1.00 0.00 N ATOM 1294 CZ ARG A 83 -7.679 16.178 13.306 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -8.874 16.537 12.924 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -7.263 16.497 14.501 1.00 0.00 N ATOM 0 H ARG A 83 -7.088 13.930 6.401 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.829 14.669 7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.190 15.312 8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.570 13.646 8.841 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.839 13.681 10.672 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.460 15.347 10.281 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.939 15.903 10.672 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.144 14.271 11.276 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.950 15.276 12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.205 16.294 11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.477 17.060 13.559 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.329 16.223 14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.872 17.020 15.130 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.625 11.496 8.076 1.00 0.00 N ATOM 1311 CA GLU A 84 -5.121 10.185 8.575 1.00 0.00 C ATOM 1312 C GLU A 84 -3.642 10.012 8.199 1.00 0.00 C ATOM 1313 O GLU A 84 -2.885 9.385 8.912 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.952 9.045 7.977 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.408 9.173 8.433 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.508 8.960 9.951 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.297 9.915 10.683 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -7.806 7.847 10.354 1.00 0.00 O ATOM 0 H GLU A 84 -6.414 11.445 7.432 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.213 10.159 9.661 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.898 9.075 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.546 8.083 8.290 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.794 10.158 8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.025 8.440 7.914 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.230 10.541 7.081 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.804 10.395 6.648 1.00 0.00 C ATOM 1327 C TYR A 85 -0.863 11.197 7.562 1.00 0.00 C ATOM 1328 O TYR A 85 0.258 10.801 7.805 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.722 10.837 5.158 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.841 12.062 4.916 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.534 12.003 5.175 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.400 13.241 4.392 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.349 13.118 4.916 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.586 14.354 4.136 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.789 14.291 4.396 1.00 0.00 C ATOM 1336 OH TYR A 85 1.594 15.387 4.154 1.00 0.00 O ATOM 0 H TYR A 85 -3.821 11.073 6.442 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.474 9.360 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.341 10.006 4.565 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.728 11.050 4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.969 11.099 5.575 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.459 13.290 4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.409 13.070 5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.019 15.260 3.738 1.00 0.00 H new ATOM 0 HH TYR A 85 1.051 16.118 3.793 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.293 12.302 8.090 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.387 13.092 8.985 1.00 0.00 C ATOM 1348 C VAL A 86 -0.572 12.645 10.424 1.00 0.00 C ATOM 1349 O VAL A 86 -0.117 13.282 11.350 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.691 14.585 8.829 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.421 15.428 9.476 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.740 14.909 7.333 1.00 0.00 C ATOM 0 H VAL A 86 -2.223 12.697 7.948 1.00 0.00 H new ATOM 0 HA VAL A 86 0.652 12.920 8.705 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.640 14.815 9.314 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.191 16.487 9.357 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.489 15.188 10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.373 15.207 8.993 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.956 15.969 7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.222 14.673 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.521 14.316 6.858 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.216 11.525 10.619 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.411 11.010 12.007 1.00 0.00 C ATOM 1364 C ASP A 87 -0.315 9.985 12.300 1.00 0.00 C ATOM 1365 O ASP A 87 -0.115 9.598 13.435 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.817 10.374 12.148 1.00 0.00 C ATOM 1367 CG ASP A 87 -2.828 8.881 11.763 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.041 8.131 12.316 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -3.646 8.506 10.940 1.00 0.00 O ATOM 0 H ASP A 87 -1.615 10.946 9.880 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.344 11.827 12.725 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.161 10.484 13.176 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.522 10.914 11.517 1.00 0.00 H new ATOM 1374 N LEU A 88 0.423 9.583 11.281 1.00 0.00 N ATOM 1375 CA LEU A 88 1.553 8.621 11.492 1.00 0.00 C ATOM 1376 C LEU A 88 2.814 9.310 11.016 1.00 0.00 C ATOM 1377 O LEU A 88 3.904 8.788 11.108 1.00 0.00 O ATOM 1378 CB LEU A 88 1.338 7.265 10.770 1.00 0.00 C ATOM 1379 CG LEU A 88 0.849 7.410 9.315 1.00 0.00 C ATOM 1380 CD1 LEU A 88 -0.578 7.978 9.265 1.00 0.00 C ATOM 1381 CD2 LEU A 88 1.817 8.277 8.501 1.00 0.00 C ATOM 0 H LEU A 88 0.287 9.882 10.315 1.00 0.00 H new ATOM 0 HA LEU A 88 1.621 8.365 12.549 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.275 6.708 10.776 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.613 6.675 11.331 1.00 0.00 H new ATOM 0 HG LEU A 88 0.826 6.417 8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.897 8.070 8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.255 7.308 9.795 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.596 8.960 9.738 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.453 8.366 7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.884 9.268 8.950 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.804 7.814 8.496 1.00 0.00 H new ATOM 1393 N GLU A 89 2.663 10.511 10.522 1.00 0.00 N ATOM 1394 CA GLU A 89 3.845 11.270 10.063 1.00 0.00 C ATOM 1395 C GLU A 89 4.531 11.834 11.298 1.00 0.00 C ATOM 1396 O GLU A 89 5.731 11.760 11.449 1.00 0.00 O ATOM 1397 CB GLU A 89 3.384 12.412 9.163 1.00 0.00 C ATOM 1398 CG GLU A 89 4.587 13.097 8.510 1.00 0.00 C ATOM 1399 CD GLU A 89 4.082 14.258 7.649 1.00 0.00 C ATOM 1400 OE1 GLU A 89 2.889 14.295 7.389 1.00 0.00 O ATOM 1401 OE2 GLU A 89 4.893 15.083 7.265 1.00 0.00 O ATOM 0 H GLU A 89 1.769 10.992 10.420 1.00 0.00 H new ATOM 0 HA GLU A 89 4.530 10.633 9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.714 12.029 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.817 13.137 9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.274 13.463 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.141 12.385 7.898 1.00 0.00 H new ATOM 1408 N ARG A 90 3.753 12.363 12.202 1.00 0.00 N ATOM 1409 CA ARG A 90 4.323 12.905 13.457 1.00 0.00 C ATOM 1410 C ARG A 90 4.904 11.758 14.297 1.00 0.00 C ATOM 1411 O ARG A 90 5.713 11.975 15.177 1.00 0.00 O ATOM 1412 CB ARG A 90 3.240 13.641 14.262 1.00 0.00 C ATOM 1413 CG ARG A 90 2.735 14.897 13.510 1.00 0.00 C ATOM 1414 CD ARG A 90 3.811 16.001 13.517 1.00 0.00 C ATOM 1415 NE ARG A 90 3.196 17.346 13.223 1.00 0.00 N ATOM 1416 CZ ARG A 90 2.474 17.560 12.156 1.00 0.00 C ATOM 1417 NH1 ARG A 90 2.408 16.667 11.206 1.00 0.00 N ATOM 1418 NH2 ARG A 90 1.865 18.707 12.006 1.00 0.00 N ATOM 0 H ARG A 90 2.739 12.441 12.120 1.00 0.00 H new ATOM 0 HA ARG A 90 5.115 13.611 13.208 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.404 12.968 14.451 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.641 13.933 15.233 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.481 14.635 12.483 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.823 15.267 13.979 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.307 16.026 14.487 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.576 15.775 12.774 1.00 0.00 H new ATOM 0 HE ARG A 90 3.349 18.113 13.878 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.924 15.791 11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.841 16.845 10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.955 19.429 12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.300 18.879 11.175 1.00 0.00 H new ATOM 1432 N GLU A 91 4.471 10.542 14.058 1.00 0.00 N ATOM 1433 CA GLU A 91 4.989 9.394 14.871 1.00 0.00 C ATOM 1434 C GLU A 91 6.404 8.996 14.421 1.00 0.00 C ATOM 1435 O GLU A 91 7.378 9.621 14.788 1.00 0.00 O ATOM 1436 CB GLU A 91 4.039 8.186 14.745 1.00 0.00 C ATOM 1437 CG GLU A 91 4.488 7.071 15.701 1.00 0.00 C ATOM 1438 CD GLU A 91 4.214 7.509 17.137 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.133 8.014 17.382 1.00 0.00 O ATOM 1440 OE2 GLU A 91 5.091 7.332 17.967 1.00 0.00 O ATOM 0 H GLU A 91 3.788 10.296 13.342 1.00 0.00 H new ATOM 0 HA GLU A 91 5.036 9.708 15.914 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.018 8.488 14.978 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.036 7.819 13.719 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.953 6.147 15.480 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.550 6.864 15.566 1.00 0.00 H new ATOM 1447 N ALA A 92 6.524 7.944 13.646 1.00 0.00 N ATOM 1448 CA ALA A 92 7.871 7.476 13.189 1.00 0.00 C ATOM 1449 C ALA A 92 8.603 8.600 12.452 1.00 0.00 C ATOM 1450 O ALA A 92 9.766 8.476 12.127 1.00 0.00 O ATOM 1451 CB ALA A 92 7.704 6.278 12.230 1.00 0.00 C ATOM 0 H ALA A 92 5.740 7.386 13.308 1.00 0.00 H new ATOM 0 HA ALA A 92 8.451 7.179 14.063 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.685 5.938 11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.195 5.465 12.748 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.114 6.583 11.366 1.00 0.00 H new ATOM 1457 N GLY A 93 7.937 9.668 12.138 1.00 0.00 N ATOM 1458 CA GLY A 93 8.623 10.747 11.374 1.00 0.00 C ATOM 1459 C GLY A 93 8.668 10.281 9.923 1.00 0.00 C ATOM 1460 O GLY A 93 9.440 10.756 9.109 1.00 0.00 O ATOM 0 H GLY A 93 6.960 9.844 12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.083 11.690 11.463 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.628 10.917 11.759 1.00 0.00 H new ATOM 1464 N LYS A 94 7.835 9.325 9.615 1.00 0.00 N ATOM 1465 CA LYS A 94 7.775 8.754 8.238 1.00 0.00 C ATOM 1466 C LYS A 94 6.314 8.698 7.805 1.00 0.00 C ATOM 1467 O LYS A 94 5.427 8.672 8.629 1.00 0.00 O ATOM 1468 CB LYS A 94 8.302 7.319 8.264 1.00 0.00 C ATOM 1469 CG LYS A 94 9.701 7.270 8.871 1.00 0.00 C ATOM 1470 CD LYS A 94 10.282 5.877 8.646 1.00 0.00 C ATOM 1471 CE LYS A 94 11.669 5.799 9.279 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.251 4.452 9.034 1.00 0.00 N ATOM 0 H LYS A 94 7.179 8.906 10.274 1.00 0.00 H new ATOM 0 HA LYS A 94 8.368 9.367 7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.627 6.689 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.325 6.916 7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.339 8.025 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.659 7.494 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.628 5.123 9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.345 5.665 7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.316 6.569 8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.603 5.989 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.196 4.398 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.637 3.726 9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.328 4.288 8.010 1.00 0.00 H new ATOM 1486 N VAL A 95 6.052 8.629 6.525 1.00 0.00 N ATOM 1487 CA VAL A 95 4.634 8.529 6.054 1.00 0.00 C ATOM 1488 C VAL A 95 4.414 7.136 5.475 1.00 0.00 C ATOM 1489 O VAL A 95 5.145 6.706 4.605 1.00 0.00 O ATOM 1490 CB VAL A 95 4.373 9.556 4.947 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.920 9.441 4.465 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.610 10.966 5.485 1.00 0.00 C ATOM 0 H VAL A 95 6.755 8.637 5.786 1.00 0.00 H new ATOM 0 HA VAL A 95 3.962 8.717 6.891 1.00 0.00 H new ATOM 0 HB VAL A 95 5.051 9.362 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.739 10.173 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.744 8.438 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.244 9.630 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.423 11.693 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.935 11.155 6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.641 11.057 5.825 1.00 0.00 H new ATOM 1502 N TYR A 96 3.415 6.417 5.934 1.00 0.00 N ATOM 1503 CA TYR A 96 3.184 5.056 5.363 1.00 0.00 C ATOM 1504 C TYR A 96 1.708 4.738 5.293 1.00 0.00 C ATOM 1505 O TYR A 96 0.889 5.354 5.944 1.00 0.00 O ATOM 1506 CB TYR A 96 3.927 3.996 6.174 1.00 0.00 C ATOM 1507 CG TYR A 96 3.344 3.783 7.550 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.828 4.529 8.631 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.373 2.790 7.761 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.338 4.297 9.922 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.888 2.549 9.051 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.369 3.304 10.135 1.00 0.00 C ATOM 1513 OH TYR A 96 1.892 3.068 11.410 1.00 0.00 O ATOM 0 H TYR A 96 2.764 6.708 6.663 1.00 0.00 H new ATOM 0 HA TYR A 96 3.577 5.048 4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.909 3.052 5.629 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.973 4.289 6.271 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.581 5.286 8.469 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.001 2.213 6.928 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.705 4.881 10.753 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.144 1.783 9.214 1.00 0.00 H new ATOM 0 HH TYR A 96 1.924 3.898 11.930 1.00 0.00 H new ATOM 1523 N LEU A 97 1.366 3.780 4.471 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.062 3.397 4.304 1.00 0.00 C ATOM 1525 C LEU A 97 -0.213 1.862 4.305 1.00 0.00 C ATOM 1526 O LEU A 97 0.655 1.124 3.841 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.595 3.994 2.991 1.00 0.00 C ATOM 1528 CG LEU A 97 0.400 3.780 1.827 1.00 0.00 C ATOM 1529 CD1 LEU A 97 -0.301 4.137 0.503 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.680 4.652 1.995 1.00 0.00 C ATOM 0 H LEU A 97 2.023 3.244 3.905 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.642 3.791 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.552 3.534 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.779 5.060 3.123 1.00 0.00 H new ATOM 0 HG LEU A 97 0.711 2.735 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.391 3.990 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.171 3.495 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.620 5.179 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.354 4.473 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.402 5.706 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.181 4.388 2.927 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.332 1.388 4.839 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.614 -0.084 4.914 1.00 0.00 C ATOM 1544 C LYS A 98 -3.022 -0.364 4.375 1.00 0.00 C ATOM 1545 O LYS A 98 -3.964 0.340 4.687 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.519 -0.530 6.387 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.713 0.018 7.192 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.450 -0.152 8.708 1.00 0.00 C ATOM 1549 CE LYS A 98 -1.708 1.068 9.269 1.00 0.00 C ATOM 1550 NZ LYS A 98 -1.006 0.678 10.530 1.00 0.00 N ATOM 0 H LYS A 98 -2.068 1.976 5.230 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.890 -0.635 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.503 -1.618 6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.585 -0.174 6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.868 1.071 6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.625 -0.509 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.396 -0.282 9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.862 -1.053 8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.989 1.439 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.411 1.878 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.501 1.502 10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.703 0.343 11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.325 -0.082 10.328 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.175 -1.389 3.562 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.530 -1.704 3.006 1.00 0.00 C ATOM 1566 C ALA A 99 -4.616 -3.194 2.603 1.00 0.00 C ATOM 1567 O ALA A 99 -3.680 -3.726 2.038 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.759 -0.853 1.760 1.00 0.00 C ATOM 0 H ALA A 99 -2.426 -2.014 3.264 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.282 -1.493 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.743 -1.073 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.705 0.203 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.993 -1.080 1.018 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.737 -3.863 2.832 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.924 -5.290 2.431 1.00 0.00 C ATOM 1576 C PRO A 100 -6.539 -5.406 1.030 1.00 0.00 C ATOM 1577 O PRO A 100 -7.735 -5.261 0.867 1.00 0.00 O ATOM 1578 CB PRO A 100 -6.912 -5.789 3.480 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.814 -4.615 3.719 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.954 -3.357 3.503 1.00 0.00 C ATOM 0 HA PRO A 100 -4.989 -5.849 2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.470 -6.654 3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.403 -6.094 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.661 -4.629 3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.222 -4.638 4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.472 -2.621 2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.715 -2.870 4.449 1.00 0.00 H new ATOM 1588 N MET A 101 -5.735 -5.645 0.020 1.00 0.00 N ATOM 1589 CA MET A 101 -6.286 -5.745 -1.381 1.00 0.00 C ATOM 1590 C MET A 101 -6.469 -7.209 -1.813 1.00 0.00 C ATOM 1591 O MET A 101 -5.645 -8.059 -1.536 1.00 0.00 O ATOM 1592 CB MET A 101 -5.348 -5.033 -2.360 1.00 0.00 C ATOM 1593 CG MET A 101 -5.975 -5.068 -3.749 1.00 0.00 C ATOM 1594 SD MET A 101 -5.052 -3.969 -4.853 1.00 0.00 S ATOM 1595 CE MET A 101 -5.553 -2.403 -4.093 1.00 0.00 C ATOM 0 H MET A 101 -4.726 -5.775 0.099 1.00 0.00 H new ATOM 0 HA MET A 101 -7.265 -5.265 -1.390 1.00 0.00 H new ATOM 0 HB2 MET A 101 -5.184 -4.002 -2.045 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.373 -5.521 -2.373 1.00 0.00 H new ATOM 0 HG2 MET A 101 -5.965 -6.086 -4.139 1.00 0.00 H new ATOM 0 HG3 MET A 101 -7.018 -4.757 -3.697 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.793 -1.680 -4.873 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.430 -2.567 -3.467 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.737 -2.018 -3.481 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.560 -7.501 -2.504 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.827 -8.896 -2.983 1.00 0.00 C ATOM 1607 C ILE A 102 -7.326 -9.095 -4.410 1.00 0.00 C ATOM 1608 O ILE A 102 -7.634 -8.350 -5.320 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.338 -9.236 -2.875 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.207 -8.009 -3.211 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.663 -9.704 -1.451 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.692 -8.360 -2.994 1.00 0.00 C ATOM 0 H ILE A 102 -8.278 -6.821 -2.755 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.277 -9.582 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.558 -10.029 -3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.925 -7.166 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.041 -7.704 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.724 -9.942 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.076 -10.592 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.420 -8.911 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.309 -7.493 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.968 -9.191 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.850 -8.645 -1.954 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.551 -10.129 -4.588 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.982 -10.477 -5.915 1.00 0.00 C ATOM 1626 C LEU A 103 -6.712 -11.731 -6.404 1.00 0.00 C ATOM 1627 O LEU A 103 -7.612 -12.199 -5.740 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.492 -10.786 -5.750 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.783 -9.674 -4.956 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -2.273 -9.962 -4.951 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -4.049 -8.312 -5.614 1.00 0.00 C ATOM 0 H LEU A 103 -6.281 -10.767 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.100 -9.658 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.369 -11.739 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.028 -10.890 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.161 -9.649 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.756 -9.182 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.088 -10.928 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.903 -9.980 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.545 -7.529 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.670 -8.321 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.121 -8.117 -5.626 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.369 -12.273 -7.553 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.100 -13.492 -8.029 1.00 0.00 C ATOM 1645 C ASN A 104 -6.851 -14.644 -7.044 1.00 0.00 C ATOM 1646 O ASN A 104 -6.264 -15.657 -7.374 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.624 -13.890 -9.438 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.531 -14.996 -10.003 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -7.236 -16.166 -9.866 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -8.630 -14.675 -10.638 1.00 0.00 N ATOM 0 H ASN A 104 -5.631 -11.932 -8.169 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.167 -13.275 -8.078 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.642 -13.021 -10.096 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.592 -14.239 -9.398 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.233 -15.406 -11.015 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.883 -13.694 -10.756 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.314 -14.472 -5.834 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.154 -15.508 -4.776 1.00 0.00 C ATOM 1659 C GLY A 105 -7.853 -15.027 -3.495 1.00 0.00 C ATOM 1660 O GLY A 105 -9.013 -15.298 -3.259 1.00 0.00 O ATOM 0 H GLY A 105 -7.809 -13.634 -5.529 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.584 -16.454 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.097 -15.689 -4.583 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.149 -14.300 -2.673 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.762 -13.781 -1.406 1.00 0.00 C ATOM 1666 C VAL A 106 -7.060 -12.476 -0.998 1.00 0.00 C ATOM 1667 O VAL A 106 -6.173 -11.998 -1.681 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.668 -14.831 -0.266 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.973 -14.844 0.545 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.451 -16.242 -0.841 1.00 0.00 C ATOM 0 H VAL A 106 -6.174 -14.039 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.819 -13.583 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.826 -14.558 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.898 -15.583 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.142 -13.858 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.806 -15.100 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.388 -16.962 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.286 -16.502 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.525 -16.262 -1.415 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.461 -11.883 0.102 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.820 -10.607 0.512 1.00 0.00 C ATOM 1682 C CYS A 107 -5.404 -10.838 1.002 1.00 0.00 C ATOM 1683 O CYS A 107 -5.089 -11.809 1.659 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.627 -9.907 1.616 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.125 -11.090 2.872 1.00 0.00 S ATOM 0 H CYS A 107 -8.195 -12.227 0.722 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.794 -9.967 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.027 -9.117 2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.508 -9.431 1.185 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.398 -10.967 3.103 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.570 -9.899 0.691 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.150 -9.925 1.112 1.00 0.00 C ATOM 1693 C VAL A 108 -2.900 -8.560 1.761 1.00 0.00 C ATOM 1694 O VAL A 108 -3.572 -7.599 1.433 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.269 -10.144 -0.127 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.423 -8.969 -1.097 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.811 -10.273 0.292 1.00 0.00 C ATOM 0 H VAL A 108 -4.824 -9.080 0.139 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.917 -10.728 1.811 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.584 -11.061 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.794 -9.135 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.464 -8.889 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.120 -8.046 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.191 -10.428 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.497 -9.362 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.700 -11.122 0.967 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.015 -8.456 2.722 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.833 -7.132 3.418 1.00 0.00 C ATOM 1709 C ILE A 109 -0.616 -6.368 2.893 1.00 0.00 C ATOM 1710 O ILE A 109 0.521 -6.736 3.092 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.674 -7.387 4.933 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.922 -6.092 5.712 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.260 -7.906 5.258 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -2.010 -6.410 7.207 1.00 0.00 C ATOM 0 H ILE A 109 -1.417 -9.213 3.054 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.711 -6.517 3.219 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.405 -8.141 5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.116 -5.382 5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.845 -5.622 5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.173 -8.078 6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.084 -8.841 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.479 -7.167 4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.187 -5.490 7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.831 -7.105 7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.075 -6.862 7.539 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.867 -5.267 2.251 1.00 0.00 N ATOM 1727 CA TRP A 110 0.239 -4.414 1.735 1.00 0.00 C ATOM 1728 C TRP A 110 0.421 -3.249 2.719 1.00 0.00 C ATOM 1729 O TRP A 110 -0.508 -2.509 2.980 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.157 -3.875 0.350 1.00 0.00 C ATOM 1731 CG TRP A 110 1.037 -3.356 -0.389 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.714 -4.025 -1.356 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.692 -2.064 -0.249 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.735 -3.218 -1.821 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.765 -2.002 -1.171 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.463 -0.951 0.578 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.573 -0.876 -1.274 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.281 0.186 0.479 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.331 0.224 -0.444 1.00 0.00 C ATOM 0 H TRP A 110 -1.804 -4.915 2.058 1.00 0.00 H new ATOM 0 HA TRP A 110 1.167 -4.978 1.644 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.631 -4.667 -0.230 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.893 -3.079 0.463 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.492 -5.023 -1.705 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.388 -3.489 -2.556 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.654 -0.970 1.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.382 -0.850 -1.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 2.098 1.036 1.119 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.955 1.102 -0.516 1.00 0.00 H new ATOM 1750 N LYS A 111 1.596 -3.067 3.263 1.00 0.00 N ATOM 1751 CA LYS A 111 1.813 -1.931 4.218 1.00 0.00 C ATOM 1752 C LYS A 111 3.231 -1.395 4.056 1.00 0.00 C ATOM 1753 O LYS A 111 4.072 -1.505 4.924 1.00 0.00 O ATOM 1754 CB LYS A 111 1.543 -2.389 5.660 1.00 0.00 C ATOM 1755 CG LYS A 111 2.314 -3.666 5.961 1.00 0.00 C ATOM 1756 CD LYS A 111 1.884 -4.200 7.332 1.00 0.00 C ATOM 1757 CE LYS A 111 2.823 -5.336 7.735 1.00 0.00 C ATOM 1758 NZ LYS A 111 2.388 -5.940 9.033 1.00 0.00 N ATOM 0 H LYS A 111 2.414 -3.651 3.091 1.00 0.00 H new ATOM 0 HA LYS A 111 1.114 -1.125 3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.836 -1.606 6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.476 -2.559 5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.122 -4.412 5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.386 -3.469 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.916 -3.403 8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.855 -4.557 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.834 -6.100 6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.842 -4.959 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.037 -6.710 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.400 -5.212 9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.424 -6.318 8.934 1.00 0.00 H new ATOM 1772 N GLY A 112 3.481 -0.800 2.923 1.00 0.00 N ATOM 1773 CA GLY A 112 4.826 -0.223 2.636 1.00 0.00 C ATOM 1774 C GLY A 112 5.001 1.075 3.393 1.00 0.00 C ATOM 1775 O GLY A 112 4.040 1.722 3.758 1.00 0.00 O ATOM 0 H GLY A 112 2.800 -0.687 2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.604 -0.930 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.935 -0.048 1.566 1.00 0.00 H new ATOM 1779 N TRP A 113 6.228 1.487 3.603 1.00 0.00 N ATOM 1780 CA TRP A 113 6.474 2.773 4.305 1.00 0.00 C ATOM 1781 C TRP A 113 7.626 3.512 3.648 1.00 0.00 C ATOM 1782 O TRP A 113 8.466 2.929 2.996 1.00 0.00 O ATOM 1783 CB TRP A 113 6.795 2.523 5.783 1.00 0.00 C ATOM 1784 CG TRP A 113 7.865 1.485 5.943 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.629 0.206 6.322 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.315 1.592 5.760 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.828 -0.474 6.396 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.893 0.330 6.056 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.183 2.638 5.375 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.268 0.113 5.974 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.570 2.418 5.288 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.109 1.157 5.586 1.00 0.00 C ATOM 0 H TRP A 113 7.067 0.983 3.316 1.00 0.00 H new ATOM 0 HA TRP A 113 5.572 3.382 4.239 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.117 3.454 6.249 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.893 2.201 6.303 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.657 -0.215 6.533 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.915 -1.453 6.669 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.779 3.613 5.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.680 -0.857 6.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.224 3.224 4.990 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.174 0.995 5.515 1.00 0.00 H new ATOM 1803 N ILE A 114 7.670 4.803 3.838 1.00 0.00 N ATOM 1804 CA ILE A 114 8.755 5.629 3.257 1.00 0.00 C ATOM 1805 C ILE A 114 8.995 6.786 4.215 1.00 0.00 C ATOM 1806 O ILE A 114 8.105 7.222 4.915 1.00 0.00 O ATOM 1807 CB ILE A 114 8.341 6.194 1.881 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.839 6.559 1.870 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.678 5.208 0.755 1.00 0.00 C ATOM 1810 CD1 ILE A 114 5.918 5.318 1.823 1.00 0.00 C ATOM 0 H ILE A 114 6.984 5.325 4.383 1.00 0.00 H new ATOM 0 HA ILE A 114 9.651 5.024 3.118 1.00 0.00 H new ATOM 0 HB ILE A 114 8.912 7.105 1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.606 7.144 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.631 7.193 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.376 5.632 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.752 5.020 0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.147 4.271 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.876 5.638 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.126 4.744 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.101 4.695 2.699 1.00 0.00 H new ATOM 1822 N ASP A 115 10.191 7.282 4.269 1.00 0.00 N ATOM 1823 CA ASP A 115 10.474 8.396 5.200 1.00 0.00 C ATOM 1824 C ASP A 115 10.000 9.709 4.582 1.00 0.00 C ATOM 1825 O ASP A 115 9.708 9.783 3.406 1.00 0.00 O ATOM 1826 CB ASP A 115 11.975 8.439 5.461 1.00 0.00 C ATOM 1827 CG ASP A 115 12.255 9.204 6.754 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.831 10.343 6.846 1.00 0.00 O ATOM 1829 OD2 ASP A 115 12.885 8.635 7.630 1.00 0.00 O ATOM 0 H ASP A 115 10.983 6.965 3.710 1.00 0.00 H new ATOM 0 HA ASP A 115 9.947 8.248 6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.370 7.426 5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.485 8.920 4.626 1.00 0.00 H new ATOM 1834 N LEU A 116 9.914 10.740 5.367 1.00 0.00 N ATOM 1835 CA LEU A 116 9.454 12.049 4.832 1.00 0.00 C ATOM 1836 C LEU A 116 10.475 12.599 3.811 1.00 0.00 C ATOM 1837 O LEU A 116 10.123 13.361 2.928 1.00 0.00 O ATOM 1838 CB LEU A 116 9.263 13.030 6.007 1.00 0.00 C ATOM 1839 CG LEU A 116 8.368 14.222 5.582 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.789 14.895 6.828 1.00 0.00 C ATOM 1841 CD2 LEU A 116 9.173 15.265 4.755 1.00 0.00 C ATOM 0 H LEU A 116 10.143 10.734 6.361 1.00 0.00 H new ATOM 0 HA LEU A 116 8.503 11.924 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.810 12.511 6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.233 13.398 6.342 1.00 0.00 H new ATOM 0 HG LEU A 116 7.563 13.838 4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.160 15.733 6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.192 14.174 7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.602 15.258 7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.518 16.089 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.998 15.648 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.568 14.790 3.857 1.00 0.00 H new ATOM 1853 N HIS A 117 11.742 12.229 3.920 1.00 0.00 N ATOM 1854 CA HIS A 117 12.778 12.741 2.964 1.00 0.00 C ATOM 1855 C HIS A 117 12.977 11.764 1.784 1.00 0.00 C ATOM 1856 O HIS A 117 12.679 12.093 0.652 1.00 0.00 O ATOM 1857 CB HIS A 117 14.118 12.957 3.718 1.00 0.00 C ATOM 1858 CG HIS A 117 14.250 12.005 4.888 1.00 0.00 C ATOM 1859 ND1 HIS A 117 13.959 12.396 6.189 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.676 10.701 4.983 1.00 0.00 C ATOM 1861 CE1 HIS A 117 14.212 11.349 6.996 1.00 0.00 C ATOM 1862 NE2 HIS A 117 14.653 10.289 6.315 1.00 0.00 N ATOM 0 H HIS A 117 12.096 11.593 4.634 1.00 0.00 H new ATOM 0 HA HIS A 117 12.435 13.691 2.555 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.952 12.811 3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 117 14.175 13.985 4.075 1.00 0.00 H new ATOM 0 HD2 HIS A 117 14.983 10.087 4.149 1.00 0.00 H new ATOM 0 HE1 HIS A 117 14.075 11.365 8.067 1.00 0.00 H new ATOM 0 HE2 HIS A 117 14.916 9.377 6.688 1.00 0.00 H new ATOM 1870 N ARG A 118 13.491 10.578 2.019 1.00 0.00 N ATOM 1871 CA ARG A 118 13.719 9.619 0.882 1.00 0.00 C ATOM 1872 C ARG A 118 12.475 8.740 0.639 1.00 0.00 C ATOM 1873 O ARG A 118 12.037 7.997 1.492 1.00 0.00 O ATOM 1874 CB ARG A 118 14.941 8.721 1.197 1.00 0.00 C ATOM 1875 CG ARG A 118 14.623 7.714 2.313 1.00 0.00 C ATOM 1876 CD ARG A 118 15.912 7.006 2.748 1.00 0.00 C ATOM 1877 NE ARG A 118 15.584 5.857 3.666 1.00 0.00 N ATOM 1878 CZ ARG A 118 14.922 6.040 4.773 1.00 0.00 C ATOM 1879 NH1 ARG A 118 14.710 7.247 5.213 1.00 0.00 N ATOM 1880 NH2 ARG A 118 14.520 5.016 5.475 1.00 0.00 N ATOM 0 H ARG A 118 13.761 10.232 2.940 1.00 0.00 H new ATOM 0 HA ARG A 118 13.910 10.197 -0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.243 8.186 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.785 9.343 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.173 8.227 3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.895 6.983 1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.449 6.641 1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.571 7.711 3.255 1.00 0.00 H new ATOM 0 HE ARG A 118 15.887 4.916 3.415 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.062 8.049 4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.192 7.390 6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 118 14.724 4.068 5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.002 5.163 6.341 1.00 0.00 H new ATOM 1894 N LEU A 119 11.899 8.829 -0.534 1.00 0.00 N ATOM 1895 CA LEU A 119 10.700 7.998 -0.860 1.00 0.00 C ATOM 1896 C LEU A 119 11.156 6.598 -1.326 1.00 0.00 C ATOM 1897 O LEU A 119 10.405 5.890 -1.953 1.00 0.00 O ATOM 1898 CB LEU A 119 9.838 8.673 -1.968 1.00 0.00 C ATOM 1899 CG LEU A 119 10.649 9.740 -2.713 1.00 0.00 C ATOM 1900 CD1 LEU A 119 11.782 9.067 -3.499 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.730 10.463 -3.699 1.00 0.00 C ATOM 0 H LEU A 119 12.210 9.446 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 119 10.087 7.905 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 119 9.487 7.919 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.954 9.128 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 119 11.067 10.447 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 119 12.358 9.826 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 119 12.435 8.531 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 119 11.359 8.365 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.298 11.224 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.324 9.745 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 119 8.912 10.936 -3.155 1.00 0.00 H new ATOM 1913 N ASP A 120 12.372 6.199 -1.037 1.00 0.00 N ATOM 1914 CA ASP A 120 12.862 4.836 -1.476 1.00 0.00 C ATOM 1915 C ASP A 120 12.838 3.910 -0.265 1.00 0.00 C ATOM 1916 O ASP A 120 13.845 3.372 0.152 1.00 0.00 O ATOM 1917 CB ASP A 120 14.291 4.949 -2.015 1.00 0.00 C ATOM 1918 CG ASP A 120 15.214 5.459 -0.913 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.723 5.703 0.174 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.396 5.600 -1.174 1.00 0.00 O ATOM 0 H ASP A 120 13.053 6.752 -0.516 1.00 0.00 H new ATOM 0 HA ASP A 120 12.222 4.441 -2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.634 3.977 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.316 5.628 -2.868 1.00 0.00 H new ATOM 1925 N GLY A 121 11.684 3.770 0.319 1.00 0.00 N ATOM 1926 CA GLY A 121 11.511 2.936 1.543 1.00 0.00 C ATOM 1927 C GLY A 121 11.599 1.442 1.245 1.00 0.00 C ATOM 1928 O GLY A 121 12.137 1.006 0.247 1.00 0.00 O ATOM 0 H GLY A 121 10.826 4.212 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.275 3.204 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.545 3.157 1.997 1.00 0.00 H new ATOM 1932 N MET A 122 11.022 0.667 2.128 1.00 0.00 N ATOM 1933 CA MET A 122 10.976 -0.813 1.979 1.00 0.00 C ATOM 1934 C MET A 122 9.565 -1.232 2.389 1.00 0.00 C ATOM 1935 O MET A 122 8.908 -0.537 3.138 1.00 0.00 O ATOM 1936 CB MET A 122 12.015 -1.481 2.896 1.00 0.00 C ATOM 1937 CG MET A 122 12.117 -2.969 2.552 1.00 0.00 C ATOM 1938 SD MET A 122 13.119 -3.820 3.802 1.00 0.00 S ATOM 1939 CE MET A 122 14.709 -3.061 3.387 1.00 0.00 C ATOM 0 H MET A 122 10.567 1.015 2.972 1.00 0.00 H new ATOM 0 HA MET A 122 11.206 -1.116 0.958 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.986 -1.001 2.774 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.728 -1.357 3.940 1.00 0.00 H new ATOM 0 HG2 MET A 122 11.121 -3.411 2.508 1.00 0.00 H new ATOM 0 HG3 MET A 122 12.565 -3.094 1.566 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.519 -3.687 3.760 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.794 -2.964 2.305 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.772 -2.074 3.846 1.00 0.00 H new ATOM 1949 N GLY A 123 9.063 -2.333 1.913 1.00 0.00 N ATOM 1950 CA GLY A 123 7.672 -2.714 2.301 1.00 0.00 C ATOM 1951 C GLY A 123 7.478 -4.213 2.147 1.00 0.00 C ATOM 1952 O GLY A 123 7.555 -4.761 1.065 1.00 0.00 O ATOM 0 H GLY A 123 9.541 -2.978 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.480 -2.419 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.954 -2.181 1.678 1.00 0.00 H new ATOM 1956 N CYS A 124 7.232 -4.889 3.234 1.00 0.00 N ATOM 1957 CA CYS A 124 7.023 -6.353 3.156 1.00 0.00 C ATOM 1958 C CYS A 124 5.563 -6.633 2.826 1.00 0.00 C ATOM 1959 O CYS A 124 4.672 -5.913 3.233 1.00 0.00 O ATOM 1960 CB CYS A 124 7.413 -6.991 4.494 1.00 0.00 C ATOM 1961 SG CYS A 124 6.116 -6.697 5.719 1.00 0.00 S ATOM 0 H CYS A 124 7.168 -4.488 4.170 1.00 0.00 H new ATOM 0 HA CYS A 124 7.646 -6.783 2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 124 7.567 -8.062 4.365 1.00 0.00 H new ATOM 0 HB3 CYS A 124 8.357 -6.574 4.844 1.00 0.00 H new ATOM 0 HG CYS A 124 5.164 -5.994 5.182 1.00 0.00 H new ATOM 1967 N LEU A 125 5.318 -7.688 2.099 1.00 0.00 N ATOM 1968 CA LEU A 125 3.917 -8.068 1.728 1.00 0.00 C ATOM 1969 C LEU A 125 3.706 -9.514 2.167 1.00 0.00 C ATOM 1970 O LEU A 125 4.569 -10.347 2.005 1.00 0.00 O ATOM 1971 CB LEU A 125 3.763 -7.891 0.212 1.00 0.00 C ATOM 1972 CG LEU A 125 2.450 -8.482 -0.317 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.269 -7.644 0.171 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.479 -8.470 -1.851 1.00 0.00 C ATOM 0 H LEU A 125 6.037 -8.315 1.739 1.00 0.00 H new ATOM 0 HA LEU A 125 3.167 -7.445 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.805 -6.830 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.602 -8.368 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 125 2.339 -9.503 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.340 -8.069 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.249 -7.643 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.374 -6.621 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.549 -8.889 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.589 -7.445 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.319 -9.068 -2.204 1.00 0.00 H new ATOM 1986 N GLU A 126 2.588 -9.810 2.767 1.00 0.00 N ATOM 1987 CA GLU A 126 2.361 -11.208 3.261 1.00 0.00 C ATOM 1988 C GLU A 126 0.874 -11.590 3.219 1.00 0.00 C ATOM 1989 O GLU A 126 0.015 -10.836 3.629 1.00 0.00 O ATOM 1990 CB GLU A 126 2.840 -11.295 4.714 1.00 0.00 C ATOM 1991 CG GLU A 126 4.326 -10.915 4.799 1.00 0.00 C ATOM 1992 CD GLU A 126 4.873 -11.241 6.190 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.126 -11.775 6.992 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.040 -10.962 6.424 1.00 0.00 O ATOM 0 H GLU A 126 1.824 -9.156 2.939 1.00 0.00 H new ATOM 0 HA GLU A 126 2.912 -11.892 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.249 -10.628 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.692 -12.305 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.892 -11.457 4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.450 -9.852 4.591 1.00 0.00 H new ATOM 2001 N PHE A 127 0.587 -12.786 2.762 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.827 -13.288 2.726 1.00 0.00 C ATOM 2003 C PHE A 127 -1.204 -13.787 4.133 1.00 0.00 C ATOM 2004 O PHE A 127 -0.966 -14.933 4.463 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.922 -14.461 1.708 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.641 -14.044 0.446 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -0.924 -13.509 -0.630 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -3.025 -14.237 0.339 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.588 -13.167 -1.811 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.691 -13.891 -0.840 1.00 0.00 C ATOM 2011 CZ PHE A 127 -2.972 -13.358 -1.918 1.00 0.00 C ATOM 0 H PHE A 127 1.280 -13.445 2.408 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.508 -12.493 2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.080 -14.809 1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.446 -15.300 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.143 -13.360 -0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.577 -14.653 1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.034 -12.755 -2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.758 -14.034 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.485 -13.094 -2.831 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.783 -12.961 4.968 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.148 -13.440 6.345 1.00 0.00 C ATOM 2023 C ASP A 128 -3.386 -12.719 6.847 1.00 0.00 C ATOM 2024 O ASP A 128 -3.642 -12.659 8.031 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.975 -13.162 7.279 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.220 -13.764 8.670 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.269 -14.350 8.880 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.339 -13.633 9.507 1.00 0.00 O ATOM 0 H ASP A 128 -2.018 -11.989 4.765 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.363 -14.508 6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -0.062 -13.579 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.823 -12.086 7.367 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.148 -12.157 5.968 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.365 -11.435 6.427 1.00 0.00 C ATOM 2035 C GLU A 129 -6.406 -12.405 7.023 1.00 0.00 C ATOM 2036 O GLU A 129 -6.869 -13.343 6.379 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.980 -10.654 5.254 1.00 0.00 C ATOM 2038 CG GLU A 129 -5.226 -9.347 5.026 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.459 -8.386 6.200 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -4.694 -8.443 7.146 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -6.391 -7.604 6.128 1.00 0.00 O ATOM 0 H GLU A 129 -3.990 -12.162 4.960 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.070 -10.740 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.948 -11.261 4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.029 -10.444 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.160 -9.548 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.559 -8.884 4.097 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.810 -12.158 8.244 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.849 -13.028 8.876 1.00 0.00 C ATOM 2050 C GLU A 130 -9.161 -12.876 8.094 1.00 0.00 C ATOM 2051 O GLU A 130 -9.946 -13.800 7.984 1.00 0.00 O ATOM 2052 CB GLU A 130 -8.040 -12.639 10.351 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.718 -11.268 10.445 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.665 -10.763 11.892 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -7.676 -10.146 12.253 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -9.622 -10.998 12.611 1.00 0.00 O ATOM 0 H GLU A 130 -6.467 -11.395 8.828 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.532 -14.070 8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.646 -13.390 10.859 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.075 -12.613 10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.220 -10.559 9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.754 -11.340 10.113 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.398 -11.728 7.506 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.645 -11.589 6.704 1.00 0.00 C ATOM 2065 C ARG A 131 -10.494 -12.472 5.467 1.00 0.00 C ATOM 2066 O ARG A 131 -11.452 -12.809 4.804 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.933 -10.125 6.306 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.671 -9.427 5.822 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.959 -7.933 5.685 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.004 -7.348 7.049 1.00 0.00 N ATOM 2071 CZ ARG A 131 -10.068 -6.060 7.211 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -10.138 -5.276 6.172 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -10.059 -5.560 8.415 1.00 0.00 N ATOM 0 H ARG A 131 -8.798 -10.904 7.546 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.498 -11.904 7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.689 -10.101 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.344 -9.587 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.855 -9.591 6.526 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.354 -9.840 4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -9.186 -7.449 5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.906 -7.773 5.170 1.00 0.00 H new ATOM 0 HE ARG A 131 -9.985 -7.961 7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -10.143 -5.673 5.233 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -10.188 -4.265 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -10.002 -6.179 9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -10.109 -4.550 8.548 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.282 -12.880 5.177 1.00 0.00 N ATOM 2088 CA ALA A 132 -9.050 -13.766 3.999 1.00 0.00 C ATOM 2089 C ALA A 132 -9.777 -15.081 4.207 1.00 0.00 C ATOM 2090 O ALA A 132 -10.496 -15.548 3.346 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.546 -14.071 3.871 1.00 0.00 C ATOM 0 H ALA A 132 -8.445 -12.636 5.707 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.414 -13.265 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.378 -14.718 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.996 -13.140 3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.198 -14.571 4.775 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.583 -15.693 5.327 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.256 -17.005 5.553 1.00 0.00 C ATOM 2099 C GLN A 133 -11.782 -16.847 5.475 1.00 0.00 C ATOM 2100 O GLN A 133 -12.450 -17.587 4.774 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.825 -17.580 6.913 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.673 -17.019 8.059 1.00 0.00 C ATOM 2103 CD GLN A 133 -10.028 -17.406 9.383 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.844 -17.222 9.567 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.755 -17.953 10.313 1.00 0.00 N ATOM 0 H GLN A 133 -8.998 -15.356 6.092 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.956 -17.703 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.913 -18.666 6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.775 -17.348 7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.747 -15.935 7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.688 -17.412 8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.751 -18.107 10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.329 -18.228 11.198 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.345 -15.890 6.164 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.836 -15.722 6.091 1.00 0.00 C ATOM 2116 C GLN A 134 -14.268 -15.104 4.741 1.00 0.00 C ATOM 2117 O GLN A 134 -15.251 -15.522 4.161 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.325 -14.852 7.259 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.397 -13.658 7.421 1.00 0.00 C ATOM 2120 CD GLN A 134 -14.016 -12.624 8.366 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -14.677 -12.967 9.329 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -13.831 -11.358 8.118 1.00 0.00 N ATOM 0 H GLN A 134 -11.854 -15.227 6.764 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.292 -16.709 6.165 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.344 -14.512 7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -14.347 -15.437 8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.435 -13.988 7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -13.206 -13.203 6.449 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -13.277 -11.072 7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.240 -10.653 8.731 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.562 -14.131 4.214 1.00 0.00 N ATOM 2132 CA GLU A 135 -14.005 -13.557 2.895 1.00 0.00 C ATOM 2133 C GLU A 135 -13.862 -14.602 1.797 1.00 0.00 C ATOM 2134 O GLU A 135 -14.630 -14.632 0.856 1.00 0.00 O ATOM 2135 CB GLU A 135 -13.188 -12.298 2.538 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.819 -12.665 1.913 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.916 -12.696 0.376 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.939 -13.128 -0.132 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -10.956 -12.291 -0.263 1.00 0.00 O ATOM 0 H GLU A 135 -12.723 -13.717 4.622 1.00 0.00 H new ATOM 0 HA GLU A 135 -15.053 -13.270 2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.754 -11.682 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -13.030 -11.699 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.066 -11.939 2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.494 -13.638 2.282 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.899 -15.464 1.895 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.754 -16.481 0.830 1.00 0.00 C ATOM 2148 C ASP A 136 -14.011 -17.335 0.788 1.00 0.00 C ATOM 2149 O ASP A 136 -14.517 -17.657 -0.268 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.557 -17.373 1.122 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.236 -18.210 -0.116 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.171 -18.675 -0.751 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.064 -18.368 -0.412 1.00 0.00 O ATOM 0 H ASP A 136 -12.217 -15.510 2.652 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.605 -15.982 -0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.695 -16.765 1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.772 -18.024 1.969 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.526 -17.705 1.929 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.759 -18.529 1.932 1.00 0.00 C ATOM 2160 C ALA A 137 -16.878 -17.743 1.242 1.00 0.00 C ATOM 2161 O ALA A 137 -17.655 -18.285 0.483 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.160 -18.862 3.370 1.00 0.00 C ATOM 0 H ALA A 137 -14.148 -17.473 2.848 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.582 -19.462 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.066 -19.467 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.356 -19.417 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.344 -17.939 3.920 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.964 -16.466 1.504 1.00 0.00 N ATOM 2169 CA LEU A 138 -18.029 -15.639 0.862 1.00 0.00 C ATOM 2170 C LEU A 138 -17.621 -15.244 -0.560 1.00 0.00 C ATOM 2171 O LEU A 138 -18.438 -14.828 -1.355 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.250 -14.365 1.691 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.634 -14.741 3.123 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.859 -13.461 3.934 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.907 -15.602 3.123 1.00 0.00 C ATOM 0 H LEU A 138 -16.343 -15.959 2.135 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.947 -16.225 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.343 -13.760 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -19.036 -13.759 1.241 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.829 -15.320 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -19.133 -13.721 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.943 -12.870 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.661 -12.879 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -20.170 -15.863 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.725 -15.042 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.730 -16.513 2.551 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.371 -15.371 -0.899 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.945 -14.973 -2.272 1.00 0.00 C ATOM 2189 C ALA A 139 -16.713 -15.814 -3.303 1.00 0.00 C ATOM 2190 O ALA A 139 -16.960 -15.378 -4.411 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.440 -15.207 -2.427 1.00 0.00 C ATOM 0 H ALA A 139 -15.631 -15.729 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.161 -13.917 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.128 -14.916 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.901 -14.609 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.218 -16.262 -2.269 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.099 -17.013 -2.947 1.00 0.00 N ATOM 2198 CA GLN A 140 -17.865 -17.877 -3.905 1.00 0.00 C ATOM 2199 C GLN A 140 -19.368 -17.574 -3.826 1.00 0.00 C ATOM 2200 O GLN A 140 -19.940 -17.480 -2.759 1.00 0.00 O ATOM 2201 CB GLN A 140 -17.614 -19.346 -3.581 1.00 0.00 C ATOM 2202 CG GLN A 140 -16.127 -19.645 -3.779 1.00 0.00 C ATOM 2203 CD GLN A 140 -15.846 -21.115 -3.463 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -16.636 -21.764 -2.811 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -14.749 -21.670 -3.906 1.00 0.00 N ATOM 0 H GLN A 140 -16.918 -17.434 -2.035 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.524 -17.664 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -17.909 -19.562 -2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -18.217 -19.984 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -15.836 -19.422 -4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -15.529 -19.004 -3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -14.086 -21.122 -4.454 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -14.556 -22.651 -3.704 1.00 0.00 H new ATOM 2214 N GLN A 141 -20.009 -17.425 -4.961 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.477 -17.130 -4.977 1.00 0.00 C ATOM 2216 C GLN A 141 -22.270 -18.436 -5.111 1.00 0.00 C ATOM 2217 O GLN A 141 -23.094 -18.696 -4.255 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.792 -16.208 -6.165 1.00 0.00 C ATOM 2219 CG GLN A 141 -21.196 -14.822 -5.899 1.00 0.00 C ATOM 2220 CD GLN A 141 -21.520 -13.879 -7.061 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -21.371 -12.679 -6.945 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -21.938 -14.377 -8.191 1.00 0.00 N ATOM 2223 OXT GLN A 141 -22.037 -19.149 -6.075 1.00 0.00 O ATOM 0 H GLN A 141 -19.576 -17.496 -5.882 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.760 -16.639 -4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -21.379 -16.625 -7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -22.870 -16.132 -6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -21.597 -14.417 -4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -20.116 -14.900 -5.774 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -22.063 -15.385 -8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -22.140 -13.759 -8.977 1.00 0.00 H new TER 2232 GLN A 141