USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 933 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: B 61 HIS : no HE2:sc= -4.54! C(o=-6!,f=-11!) USER MOD Set 1.2: C 103 GLN : amide:sc= -1.45 K(o=-6,f=-8.4!) USER MOD Set 2.1: A 23 GLN : amide:sc= -1.68 K(o=-5.9,f=-8.6!) USER MOD Set 2.2: C 101 HIS : no HE2:sc= -4.21! C(o=-5.9!,f=-11!) USER MOD Set 3.1: A 21 HIS : no HD1:sc= -4.06! C(o=-5.7!,f=-11!) USER MOD Set 3.2: B 63 GLN : amide:sc= -1.67 K(o=-5.7,f=-8.4!) USER MOD Single : A 1 GLY N :NH3+ -172:sc= 1.15 (180deg=1.08) USER MOD Single : A 7 SER OG : rot 86:sc= 1.24 USER MOD Single : A 10 GLN : amide:sc= 0.256 X(o=0.26,f=-0.11) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.219 F(o=-2.3!,f=-0.22) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 18 GLN : amide:sc= -0.634 K(o=-0.63,f=-2!) USER MOD Single : A 20 GLN : amide:sc= -1.48! C(o=-1.5!,f=-1.5!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0382 X(o=-0.038,f=-0.038) USER MOD Single : A 29 TYR OH : rot 42:sc= 0.23 USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.19) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0456 (180deg=-0.275) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 47 SER OG : rot 65:sc= 1.28 USER MOD Single : B 50 GLN : amide:sc= 0.243 X(o=0.24,f=-0.13) USER MOD Single : B 51 GLN :FLIP amide:sc= -0.137 F(o=-2,f=-0.14) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : B 58 GLN : amide:sc= -0.504 K(o=-0.5,f=-2!) USER MOD Single : B 60 GLN : amide:sc= -1.65! C(o=-1.7!,f=-1.7!) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.024) USER MOD Single : B 69 TYR OH : rot 46:sc= -0.111 USER MOD Single : B 70 LYS NZ :NH3+ -174:sc= 1.16 (180deg=1.14) USER MOD Single : B 71 LYS NZ :NH3+ 170:sc= -0.0505 (180deg=-0.252) USER MOD Single : B 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 87 SER OG : rot 54:sc= 1.24 USER MOD Single : C 90 GLN : amide:sc= 0.022 X(o=0.022,f=-0.058) USER MOD Single : C 91 GLN :FLIP amide:sc= -0.055 F(o=-1.8,f=-0.055) USER MOD Single : C 96 GLN : amide:sc=-0.00298 X(o=-0.003,f=-0.025) USER MOD Single : C 98 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.8) USER MOD Single : C 100 GLN : amide:sc= -1.03 X(o=-1,f=-1) USER MOD Single : C 107 SER OG : rot 180:sc= 0 USER MOD Single : C 108 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.041) USER MOD Single : C 109 TYR OH : rot 46:sc= -0.256 USER MOD Single : C 110 LYS NZ :NH3+ -171:sc= 1.14 (180deg=1.09) USER MOD Single : C 111 LYS NZ :NH3+ 165:sc= -0.0599 (180deg=-0.36) USER MOD Single : C 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.726 -28.636 6.050 1.00 0.00 N ATOM 2 CA GLY A 1 -3.847 -29.442 5.508 1.00 0.00 C ATOM 3 C GLY A 1 -4.779 -28.605 4.657 1.00 0.00 C ATOM 4 O GLY A 1 -4.392 -28.125 3.593 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.038 -29.264 6.512 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.260 -28.124 5.274 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.093 -27.954 6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.450 -30.264 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.407 -29.887 6.331 1.00 0.00 H new ATOM 10 N LEU A 2 -6.001 -28.411 5.129 1.00 0.00 N ATOM 11 CA LEU A 2 -6.984 -27.609 4.405 1.00 0.00 C ATOM 12 C LEU A 2 -7.358 -26.359 5.207 1.00 0.00 C ATOM 13 O LEU A 2 -7.259 -25.253 4.677 1.00 0.00 O ATOM 14 CB LEU A 2 -8.234 -28.433 4.068 1.00 0.00 C ATOM 15 CG LEU A 2 -7.993 -29.636 3.157 1.00 0.00 C ATOM 16 CD1 LEU A 2 -9.264 -30.454 3.006 1.00 0.00 C ATOM 17 CD2 LEU A 2 -7.495 -29.179 1.797 1.00 0.00 C ATOM 0 H LEU A 2 -6.339 -28.797 6.011 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.531 -27.292 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.679 -28.785 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.964 -27.778 3.593 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.229 -30.266 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.073 -31.306 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.586 -30.811 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.047 -29.833 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.328 -30.048 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.239 -28.529 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.560 -28.632 1.917 1.00 0.00 H new ATOM 29 N PRO A 3 -7.838 -26.510 6.470 1.00 0.00 N ATOM 30 CA PRO A 3 -8.246 -25.382 7.301 1.00 0.00 C ATOM 31 C PRO A 3 -7.252 -24.222 7.284 1.00 0.00 C ATOM 32 O PRO A 3 -7.638 -23.065 7.145 1.00 0.00 O ATOM 33 CB PRO A 3 -8.302 -25.960 8.712 1.00 0.00 C ATOM 34 CG PRO A 3 -8.510 -27.422 8.547 1.00 0.00 C ATOM 35 CD PRO A 3 -8.079 -27.784 7.149 1.00 0.00 C ATOM 0 HA PRO A 3 -9.187 -24.969 6.939 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.379 -25.756 9.254 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.114 -25.512 9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.930 -27.978 9.283 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.557 -27.681 8.705 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.178 -28.397 7.163 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.850 -28.361 6.638 1.00 0.00 H new ATOM 43 N ASP A 4 -5.967 -24.554 7.434 1.00 0.00 N ATOM 44 CA ASP A 4 -4.888 -23.563 7.447 1.00 0.00 C ATOM 45 C ASP A 4 -4.777 -22.835 6.116 1.00 0.00 C ATOM 46 O ASP A 4 -4.383 -21.669 6.072 1.00 0.00 O ATOM 47 CB ASP A 4 -3.547 -24.223 7.805 1.00 0.00 C ATOM 48 CG ASP A 4 -3.250 -25.472 6.997 1.00 0.00 C ATOM 49 OD1 ASP A 4 -4.005 -26.456 7.119 1.00 0.00 O ATOM 50 OD2 ASP A 4 -2.250 -25.477 6.256 1.00 0.00 O ATOM 0 H ASP A 4 -5.646 -25.515 7.550 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.134 -22.826 8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.744 -23.502 7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.548 -24.478 8.865 1.00 0.00 H new ATOM 55 N VAL A 5 -5.150 -23.511 5.043 1.00 0.00 N ATOM 56 CA VAL A 5 -5.116 -22.911 3.719 1.00 0.00 C ATOM 57 C VAL A 5 -6.168 -21.809 3.642 1.00 0.00 C ATOM 58 O VAL A 5 -5.883 -20.689 3.215 1.00 0.00 O ATOM 59 CB VAL A 5 -5.366 -23.967 2.619 1.00 0.00 C ATOM 60 CG1 VAL A 5 -5.243 -23.365 1.230 1.00 0.00 C ATOM 61 CG2 VAL A 5 -4.398 -25.129 2.778 1.00 0.00 C ATOM 0 H VAL A 5 -5.480 -24.476 5.062 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.126 -22.488 3.551 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.386 -24.333 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.425 -24.136 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.976 -22.566 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.240 -22.960 1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.584 -25.867 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.374 -24.764 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.541 -25.591 3.755 1.00 0.00 H new ATOM 71 N ALA A 6 -7.379 -22.126 4.092 1.00 0.00 N ATOM 72 CA ALA A 6 -8.465 -21.155 4.099 1.00 0.00 C ATOM 73 C ALA A 6 -8.228 -20.102 5.172 1.00 0.00 C ATOM 74 O ALA A 6 -8.673 -18.964 5.050 1.00 0.00 O ATOM 75 CB ALA A 6 -9.801 -21.838 4.310 1.00 0.00 C ATOM 0 H ALA A 6 -7.631 -23.045 4.455 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.488 -20.662 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.595 -21.091 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.976 -22.552 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.795 -22.362 5.266 1.00 0.00 H new ATOM 81 N SER A 7 -7.502 -20.476 6.216 1.00 0.00 N ATOM 82 CA SER A 7 -7.187 -19.545 7.283 1.00 0.00 C ATOM 83 C SER A 7 -6.182 -18.517 6.773 1.00 0.00 C ATOM 84 O SER A 7 -6.008 -17.442 7.344 1.00 0.00 O ATOM 85 CB SER A 7 -6.623 -20.280 8.499 1.00 0.00 C ATOM 86 OG SER A 7 -7.587 -21.166 9.051 1.00 0.00 O ATOM 0 H SER A 7 -7.123 -21.414 6.344 1.00 0.00 H new ATOM 0 HA SER A 7 -8.101 -19.039 7.593 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.733 -20.839 8.210 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.314 -19.557 9.254 1.00 0.00 H new ATOM 0 HG SER A 7 -7.544 -22.027 8.586 1.00 0.00 H new ATOM 92 N LEU A 8 -5.534 -18.838 5.674 1.00 0.00 N ATOM 93 CA LEU A 8 -4.579 -17.922 5.102 1.00 0.00 C ATOM 94 C LEU A 8 -5.293 -16.816 4.339 1.00 0.00 C ATOM 95 O LEU A 8 -4.743 -15.734 4.147 1.00 0.00 O ATOM 96 CB LEU A 8 -3.585 -18.658 4.197 1.00 0.00 C ATOM 97 CG LEU A 8 -2.597 -17.761 3.451 1.00 0.00 C ATOM 98 CD1 LEU A 8 -1.674 -17.041 4.424 1.00 0.00 C ATOM 99 CD2 LEU A 8 -1.793 -18.569 2.444 1.00 0.00 C ATOM 0 H LEU A 8 -5.650 -19.715 5.166 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.014 -17.467 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.021 -19.366 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.146 -19.240 3.466 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.168 -17.008 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.981 -16.409 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.267 -16.423 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.112 -17.774 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.096 -17.912 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.237 -19.349 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.469 -19.026 1.721 1.00 0.00 H new ATOM 111 N ARG A 9 -6.532 -17.074 3.932 1.00 0.00 N ATOM 112 CA ARG A 9 -7.308 -16.062 3.222 1.00 0.00 C ATOM 113 C ARG A 9 -7.664 -14.948 4.193 1.00 0.00 C ATOM 114 O ARG A 9 -8.049 -13.848 3.794 1.00 0.00 O ATOM 115 CB ARG A 9 -8.619 -16.615 2.624 1.00 0.00 C ATOM 116 CG ARG A 9 -8.638 -18.097 2.267 1.00 0.00 C ATOM 117 CD ARG A 9 -7.411 -18.528 1.493 1.00 0.00 C ATOM 118 NE ARG A 9 -7.698 -19.606 0.541 1.00 0.00 N ATOM 119 CZ ARG A 9 -8.463 -19.465 -0.550 1.00 0.00 C ATOM 120 NH1 ARG A 9 -9.021 -18.292 -0.831 1.00 0.00 N ATOM 121 NH2 ARG A 9 -8.688 -20.505 -1.343 1.00 0.00 N ATOM 0 H ARG A 9 -7.015 -17.961 4.078 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.691 -15.706 2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.423 -16.426 3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.849 -16.045 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.711 -18.686 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.529 -18.313 1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.005 -17.671 0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.643 -18.859 2.191 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.289 -20.523 0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.868 -17.494 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.602 -18.190 -1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.278 -21.413 -1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.271 -20.397 -2.173 1.00 0.00 H new ATOM 135 N GLN A 10 -7.532 -15.256 5.478 1.00 0.00 N ATOM 136 CA GLN A 10 -7.832 -14.312 6.535 1.00 0.00 C ATOM 137 C GLN A 10 -6.690 -13.319 6.677 1.00 0.00 C ATOM 138 O GLN A 10 -6.903 -12.124 6.851 1.00 0.00 O ATOM 139 CB GLN A 10 -8.040 -15.086 7.827 1.00 0.00 C ATOM 140 CG GLN A 10 -8.636 -16.468 7.597 1.00 0.00 C ATOM 141 CD GLN A 10 -10.140 -16.450 7.449 1.00 0.00 C ATOM 142 OE1 GLN A 10 -10.846 -15.927 8.311 1.00 0.00 O ATOM 143 NE2 GLN A 10 -10.645 -17.032 6.374 1.00 0.00 N ATOM 0 H GLN A 10 -7.214 -16.166 5.811 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.738 -13.753 6.300 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.085 -15.188 8.342 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.697 -14.517 8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.194 -16.903 6.700 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.367 -17.116 8.431 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.024 -17.454 5.683 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.655 -17.059 6.236 1.00 0.00 H new ATOM 152 N GLN A 11 -5.466 -13.832 6.561 1.00 0.00 N ATOM 153 CA GLN A 11 -4.272 -13.002 6.635 1.00 0.00 C ATOM 154 C GLN A 11 -4.151 -12.190 5.350 1.00 0.00 C ATOM 155 O GLN A 11 -3.556 -11.114 5.319 1.00 0.00 O ATOM 156 CB GLN A 11 -3.026 -13.882 6.824 1.00 0.00 C ATOM 157 CG GLN A 11 -1.740 -13.092 7.027 1.00 0.00 C ATOM 158 CD GLN A 11 -1.696 -12.332 8.343 1.00 0.00 C ATOM 159 OE1 GLN A 11 -2.667 -12.578 9.213 1.00 0.00 O flip ATOM 160 NE2 GLN A 11 -0.789 -11.538 8.579 1.00 0.00 N flip ATOM 0 H GLN A 11 -5.278 -14.824 6.415 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.349 -12.327 7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.180 -14.534 7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.912 -14.526 5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.892 -13.776 6.983 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.623 -12.386 6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.060 -11.375 7.884 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.765 -11.041 9.470 1.00 0.00 H new ATOM 169 N VAL A 12 -4.746 -12.728 4.300 1.00 0.00 N ATOM 170 CA VAL A 12 -4.756 -12.097 2.996 1.00 0.00 C ATOM 171 C VAL A 12 -5.697 -10.897 3.010 1.00 0.00 C ATOM 172 O VAL A 12 -5.344 -9.807 2.561 1.00 0.00 O ATOM 173 CB VAL A 12 -5.182 -13.146 1.934 1.00 0.00 C ATOM 174 CG1 VAL A 12 -5.837 -12.533 0.714 1.00 0.00 C ATOM 175 CG2 VAL A 12 -4.013 -14.045 1.553 1.00 0.00 C ATOM 0 H VAL A 12 -5.238 -13.621 4.330 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.761 -11.732 2.743 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.949 -13.763 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.110 -13.322 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.733 -11.990 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.141 -11.845 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.340 -14.770 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.207 -13.438 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.655 -14.571 2.438 1.00 0.00 H new ATOM 185 N GLU A 13 -6.884 -11.099 3.574 1.00 0.00 N ATOM 186 CA GLU A 13 -7.863 -10.028 3.700 1.00 0.00 C ATOM 187 C GLU A 13 -7.328 -8.994 4.688 1.00 0.00 C ATOM 188 O GLU A 13 -7.649 -7.808 4.615 1.00 0.00 O ATOM 189 CB GLU A 13 -9.198 -10.596 4.185 1.00 0.00 C ATOM 190 CG GLU A 13 -10.358 -9.618 4.114 1.00 0.00 C ATOM 191 CD GLU A 13 -11.647 -10.221 4.614 1.00 0.00 C ATOM 192 OE1 GLU A 13 -12.092 -11.230 4.033 1.00 0.00 O ATOM 193 OE2 GLU A 13 -12.213 -9.696 5.590 1.00 0.00 O ATOM 0 H GLU A 13 -7.190 -11.996 3.951 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.028 -9.554 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.443 -11.475 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.084 -10.931 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.121 -8.733 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.490 -9.288 3.083 1.00 0.00 H new ATOM 200 N ALA A 14 -6.482 -9.471 5.598 1.00 0.00 N ATOM 201 CA ALA A 14 -5.849 -8.635 6.603 1.00 0.00 C ATOM 202 C ALA A 14 -4.955 -7.601 5.943 1.00 0.00 C ATOM 203 O ALA A 14 -5.095 -6.400 6.175 1.00 0.00 O ATOM 204 CB ALA A 14 -5.020 -9.505 7.520 1.00 0.00 C ATOM 0 H ALA A 14 -6.218 -10.455 5.655 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.620 -8.119 7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.542 -8.884 8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.664 -10.238 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.256 -10.021 6.939 1.00 0.00 H new ATOM 210 N LEU A 15 -4.043 -8.095 5.109 1.00 0.00 N ATOM 211 CA LEU A 15 -3.108 -7.250 4.381 1.00 0.00 C ATOM 212 C LEU A 15 -3.879 -6.295 3.473 1.00 0.00 C ATOM 213 O LEU A 15 -3.478 -5.149 3.251 1.00 0.00 O ATOM 214 CB LEU A 15 -2.165 -8.120 3.548 1.00 0.00 C ATOM 215 CG LEU A 15 -0.830 -7.476 3.191 1.00 0.00 C ATOM 216 CD1 LEU A 15 -0.042 -7.176 4.452 1.00 0.00 C ATOM 217 CD2 LEU A 15 -0.033 -8.383 2.269 1.00 0.00 C ATOM 0 H LEU A 15 -3.934 -9.092 4.921 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.519 -6.669 5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.970 -9.042 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.674 -8.398 2.625 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.022 -6.539 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.910 -6.716 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.611 -6.493 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.142 -8.103 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.917 -7.908 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.154 -9.334 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.598 -8.558 1.353 1.00 0.00 H new ATOM 229 N GLN A 16 -5.011 -6.785 2.979 1.00 0.00 N ATOM 230 CA GLN A 16 -5.890 -6.007 2.116 1.00 0.00 C ATOM 231 C GLN A 16 -6.444 -4.806 2.870 1.00 0.00 C ATOM 232 O GLN A 16 -6.598 -3.730 2.308 1.00 0.00 O ATOM 233 CB GLN A 16 -7.026 -6.897 1.598 1.00 0.00 C ATOM 234 CG GLN A 16 -8.296 -6.149 1.245 1.00 0.00 C ATOM 235 CD GLN A 16 -9.249 -6.987 0.422 1.00 0.00 C ATOM 236 OE1 GLN A 16 -8.919 -7.417 -0.683 1.00 0.00 O ATOM 237 NE2 GLN A 16 -10.436 -7.224 0.955 1.00 0.00 N ATOM 0 H GLN A 16 -5.344 -7.731 3.166 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.320 -5.637 1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.677 -7.433 0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.258 -7.646 2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.794 -5.832 2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.040 -5.245 0.692 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.667 -6.847 1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.121 -7.784 0.447 1.00 0.00 H new ATOM 246 N GLY A 17 -6.721 -4.996 4.150 1.00 0.00 N ATOM 247 CA GLY A 17 -7.229 -3.912 4.976 1.00 0.00 C ATOM 248 C GLY A 17 -6.246 -2.758 5.059 1.00 0.00 C ATOM 249 O GLY A 17 -6.637 -1.592 5.165 1.00 0.00 O ATOM 0 H GLY A 17 -6.604 -5.884 4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.174 -3.556 4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.436 -4.286 5.979 1.00 0.00 H new ATOM 253 N GLN A 18 -4.961 -3.079 4.992 1.00 0.00 N ATOM 254 CA GLN A 18 -3.924 -2.061 5.049 1.00 0.00 C ATOM 255 C GLN A 18 -3.847 -1.281 3.747 1.00 0.00 C ATOM 256 O GLN A 18 -3.791 -0.055 3.745 1.00 0.00 O ATOM 257 CB GLN A 18 -2.564 -2.693 5.346 1.00 0.00 C ATOM 258 CG GLN A 18 -2.539 -3.478 6.639 1.00 0.00 C ATOM 259 CD GLN A 18 -1.144 -3.894 7.042 1.00 0.00 C ATOM 260 OE1 GLN A 18 -0.429 -4.529 6.271 1.00 0.00 O ATOM 261 NE2 GLN A 18 -0.751 -3.545 8.259 1.00 0.00 N ATOM 0 H GLN A 18 -4.614 -4.033 4.898 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.184 -1.373 5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.290 -3.353 4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.808 -1.909 5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.978 -2.875 7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.162 -4.366 6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.378 -3.017 8.866 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.179 -3.804 8.589 1.00 0.00 H new ATOM 270 N VAL A 19 -3.832 -1.986 2.640 1.00 0.00 N ATOM 271 CA VAL A 19 -3.739 -1.332 1.353 1.00 0.00 C ATOM 272 C VAL A 19 -4.991 -0.502 1.045 1.00 0.00 C ATOM 273 O VAL A 19 -4.901 0.580 0.458 1.00 0.00 O ATOM 274 CB VAL A 19 -3.452 -2.364 0.230 1.00 0.00 C ATOM 275 CG1 VAL A 19 -4.508 -3.454 0.191 1.00 0.00 C ATOM 276 CG2 VAL A 19 -3.348 -1.702 -1.129 1.00 0.00 C ATOM 0 H VAL A 19 -3.882 -3.004 2.602 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.900 -0.638 1.395 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.490 -2.819 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.274 -4.158 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.524 -3.980 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.485 -3.008 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.147 -2.458 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.286 -1.197 -1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.537 -0.974 -1.118 1.00 0.00 H new ATOM 286 N GLN A 20 -6.150 -0.995 1.461 1.00 0.00 N ATOM 287 CA GLN A 20 -7.399 -0.281 1.229 1.00 0.00 C ATOM 288 C GLN A 20 -7.427 1.030 2.005 1.00 0.00 C ATOM 289 O GLN A 20 -7.806 2.062 1.460 1.00 0.00 O ATOM 290 CB GLN A 20 -8.617 -1.141 1.587 1.00 0.00 C ATOM 291 CG GLN A 20 -8.734 -1.487 3.058 1.00 0.00 C ATOM 292 CD GLN A 20 -9.937 -2.361 3.350 1.00 0.00 C ATOM 293 OE1 GLN A 20 -10.120 -3.410 2.733 1.00 0.00 O ATOM 294 NE2 GLN A 20 -10.764 -1.933 4.288 1.00 0.00 N ATOM 0 H GLN A 20 -6.252 -1.880 1.957 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.451 -0.056 0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.520 -0.615 1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.574 -2.066 1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.828 -2.000 3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.805 -0.568 3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.574 -1.057 4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.592 -2.479 4.525 1.00 0.00 H new ATOM 303 N HIS A 21 -7.014 1.006 3.277 1.00 0.00 N ATOM 304 CA HIS A 21 -7.013 2.234 4.057 1.00 0.00 C ATOM 305 C HIS A 21 -5.846 3.127 3.641 1.00 0.00 C ATOM 306 O HIS A 21 -5.841 4.317 3.946 1.00 0.00 O ATOM 307 CB HIS A 21 -7.043 1.985 5.568 1.00 0.00 C ATOM 308 CG HIS A 21 -5.717 1.809 6.192 1.00 0.00 C ATOM 309 ND1 HIS A 21 -4.984 0.683 6.041 1.00 0.00 N ATOM 310 CD2 HIS A 21 -4.964 2.664 6.931 1.00 0.00 C ATOM 311 CE1 HIS A 21 -3.830 0.860 6.662 1.00 0.00 C ATOM 312 NE2 HIS A 21 -3.757 2.050 7.226 1.00 0.00 N ATOM 0 H HIS A 21 -6.687 0.175 3.770 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.941 2.761 3.835 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.548 2.822 6.050 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.642 1.096 5.764 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -5.257 3.657 7.238 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.044 0.121 6.702 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -2.980 2.435 7.763 1.00 0.00 H new ATOM 320 N LEU A 22 -4.887 2.575 2.892 1.00 0.00 N ATOM 321 CA LEU A 22 -3.791 3.391 2.394 1.00 0.00 C ATOM 322 C LEU A 22 -4.345 4.256 1.277 1.00 0.00 C ATOM 323 O LEU A 22 -3.977 5.420 1.139 1.00 0.00 O ATOM 324 CB LEU A 22 -2.607 2.557 1.892 1.00 0.00 C ATOM 325 CG LEU A 22 -1.750 1.923 2.989 1.00 0.00 C ATOM 326 CD1 LEU A 22 -0.363 1.590 2.462 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.651 2.838 4.199 1.00 0.00 C ATOM 0 H LEU A 22 -4.851 1.591 2.626 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.399 3.997 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.988 1.765 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.970 3.192 1.276 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.234 0.997 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.230 1.140 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.448 0.889 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.124 2.502 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.036 2.364 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.197 3.784 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.648 3.023 4.598 1.00 0.00 H new ATOM 339 N GLN A 23 -5.294 3.686 0.527 1.00 0.00 N ATOM 340 CA GLN A 23 -5.976 4.419 -0.533 1.00 0.00 C ATOM 341 C GLN A 23 -6.840 5.491 0.114 1.00 0.00 C ATOM 342 O GLN A 23 -6.979 6.605 -0.396 1.00 0.00 O ATOM 343 CB GLN A 23 -6.840 3.479 -1.376 1.00 0.00 C ATOM 344 CG GLN A 23 -6.052 2.656 -2.376 1.00 0.00 C ATOM 345 CD GLN A 23 -5.676 3.445 -3.613 1.00 0.00 C ATOM 346 OE1 GLN A 23 -5.033 4.490 -3.524 1.00 0.00 O ATOM 347 NE2 GLN A 23 -6.078 2.951 -4.775 1.00 0.00 N ATOM 0 H GLN A 23 -5.604 2.720 0.638 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.242 4.875 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.382 2.806 -0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.585 4.068 -1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.146 2.282 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.640 1.787 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.609 2.081 -4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.856 3.441 -5.642 1.00 0.00 H new ATOM 356 N ALA A 24 -7.388 5.132 1.276 1.00 0.00 N ATOM 357 CA ALA A 24 -8.212 6.032 2.067 1.00 0.00 C ATOM 358 C ALA A 24 -7.422 7.285 2.397 1.00 0.00 C ATOM 359 O ALA A 24 -7.872 8.402 2.166 1.00 0.00 O ATOM 360 CB ALA A 24 -8.644 5.345 3.352 1.00 0.00 C ATOM 0 H ALA A 24 -7.270 4.208 1.691 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.099 6.303 1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.261 6.026 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.219 4.451 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.763 5.065 3.929 1.00 0.00 H new ATOM 366 N ALA A 25 -6.221 7.069 2.918 1.00 0.00 N ATOM 367 CA ALA A 25 -5.332 8.158 3.266 1.00 0.00 C ATOM 368 C ALA A 25 -4.979 8.959 2.025 1.00 0.00 C ATOM 369 O ALA A 25 -4.970 10.187 2.055 1.00 0.00 O ATOM 370 CB ALA A 25 -4.076 7.620 3.933 1.00 0.00 C ATOM 0 H ALA A 25 -5.843 6.141 3.108 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.839 8.817 3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.417 8.449 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.348 7.079 4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.561 6.945 3.249 1.00 0.00 H new ATOM 376 N PHE A 26 -4.707 8.249 0.927 1.00 0.00 N ATOM 377 CA PHE A 26 -4.364 8.883 -0.344 1.00 0.00 C ATOM 378 C PHE A 26 -5.441 9.855 -0.796 1.00 0.00 C ATOM 379 O PHE A 26 -5.147 10.795 -1.509 1.00 0.00 O ATOM 380 CB PHE A 26 -4.164 7.851 -1.456 1.00 0.00 C ATOM 381 CG PHE A 26 -2.765 7.324 -1.584 1.00 0.00 C ATOM 382 CD1 PHE A 26 -1.689 8.188 -1.734 1.00 0.00 C ATOM 383 CD2 PHE A 26 -2.525 5.958 -1.566 1.00 0.00 C ATOM 384 CE1 PHE A 26 -0.405 7.695 -1.866 1.00 0.00 C ATOM 385 CE2 PHE A 26 -1.245 5.462 -1.696 1.00 0.00 C ATOM 386 CZ PHE A 26 -0.183 6.331 -1.845 1.00 0.00 C ATOM 0 H PHE A 26 -4.718 7.230 0.895 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.432 9.420 -0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.838 7.013 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.456 8.300 -2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.857 9.255 -1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.352 5.273 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.425 8.375 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.074 4.396 -1.681 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.821 5.945 -1.945 1.00 0.00 H new ATOM 396 N SER A 27 -6.686 9.625 -0.387 1.00 0.00 N ATOM 397 CA SER A 27 -7.789 10.507 -0.770 1.00 0.00 C ATOM 398 C SER A 27 -7.475 11.960 -0.391 1.00 0.00 C ATOM 399 O SER A 27 -7.956 12.902 -1.023 1.00 0.00 O ATOM 400 CB SER A 27 -9.080 10.041 -0.093 1.00 0.00 C ATOM 401 OG SER A 27 -10.217 10.692 -0.631 1.00 0.00 O ATOM 0 H SER A 27 -6.957 8.841 0.206 1.00 0.00 H new ATOM 0 HA SER A 27 -7.920 10.462 -1.851 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.186 8.963 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.021 10.237 0.978 1.00 0.00 H new ATOM 0 HG SER A 27 -11.024 10.370 -0.177 1.00 0.00 H new ATOM 407 N GLN A 28 -6.648 12.133 0.637 1.00 0.00 N ATOM 408 CA GLN A 28 -6.254 13.456 1.096 1.00 0.00 C ATOM 409 C GLN A 28 -4.933 13.897 0.472 1.00 0.00 C ATOM 410 O GLN A 28 -4.754 15.071 0.161 1.00 0.00 O ATOM 411 CB GLN A 28 -6.136 13.472 2.619 1.00 0.00 C ATOM 412 CG GLN A 28 -7.394 13.009 3.335 1.00 0.00 C ATOM 413 CD GLN A 28 -8.572 13.927 3.080 1.00 0.00 C ATOM 414 OE1 GLN A 28 -8.541 15.103 3.450 1.00 0.00 O ATOM 415 NE2 GLN A 28 -9.608 13.408 2.440 1.00 0.00 N ATOM 0 H GLN A 28 -6.237 11.366 1.169 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.027 14.158 0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.304 12.834 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.895 14.484 2.945 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.645 12.000 3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.201 12.958 4.407 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.592 12.430 2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.423 13.986 2.235 1.00 0.00 H new ATOM 424 N TYR A 29 -4.009 12.960 0.309 1.00 0.00 N ATOM 425 CA TYR A 29 -2.693 13.258 -0.261 1.00 0.00 C ATOM 426 C TYR A 29 -2.759 13.392 -1.774 1.00 0.00 C ATOM 427 O TYR A 29 -1.860 13.951 -2.395 1.00 0.00 O ATOM 428 CB TYR A 29 -1.708 12.160 0.120 1.00 0.00 C ATOM 429 CG TYR A 29 -1.703 11.906 1.603 1.00 0.00 C ATOM 430 CD1 TYR A 29 -1.345 12.904 2.498 1.00 0.00 C ATOM 431 CD2 TYR A 29 -2.113 10.686 2.111 1.00 0.00 C ATOM 432 CE1 TYR A 29 -1.400 12.692 3.852 1.00 0.00 C ATOM 433 CE2 TYR A 29 -2.162 10.460 3.469 1.00 0.00 C ATOM 434 CZ TYR A 29 -1.809 11.470 4.339 1.00 0.00 C ATOM 435 OH TYR A 29 -1.878 11.266 5.698 1.00 0.00 O ATOM 0 H TYR A 29 -4.143 11.981 0.563 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.356 14.212 0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.967 11.241 -0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.706 12.441 -0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.018 13.862 2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.400 9.897 1.431 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.123 13.482 4.535 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.475 9.499 3.850 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.272 12.054 6.127 1.00 0.00 H new ATOM 445 N LYS A 30 -3.824 12.858 -2.349 1.00 0.00 N ATOM 446 CA LYS A 30 -4.031 12.887 -3.788 1.00 0.00 C ATOM 447 C LYS A 30 -4.040 14.324 -4.295 1.00 0.00 C ATOM 448 O LYS A 30 -3.335 14.659 -5.245 1.00 0.00 O ATOM 449 CB LYS A 30 -5.350 12.181 -4.147 1.00 0.00 C ATOM 450 CG LYS A 30 -5.351 11.502 -5.514 1.00 0.00 C ATOM 451 CD LYS A 30 -5.118 12.485 -6.646 1.00 0.00 C ATOM 452 CE LYS A 30 -4.860 11.767 -7.960 1.00 0.00 C ATOM 453 NZ LYS A 30 -4.366 12.696 -9.003 1.00 0.00 N ATOM 0 H LYS A 30 -4.569 12.392 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.209 12.358 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.567 11.434 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.159 12.911 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.577 10.735 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.305 10.997 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.987 13.135 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.268 13.124 -6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.130 10.973 -7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.779 11.291 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.282 12.189 -9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.034 13.486 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.435 13.066 -8.725 1.00 0.00 H new ATOM 467 N LYS A 31 -4.823 15.185 -3.657 1.00 0.00 N ATOM 468 CA LYS A 31 -4.873 16.577 -4.079 1.00 0.00 C ATOM 469 C LYS A 31 -3.801 17.392 -3.361 1.00 0.00 C ATOM 470 O LYS A 31 -4.009 18.535 -2.953 1.00 0.00 O ATOM 471 CB LYS A 31 -6.264 17.180 -3.869 1.00 0.00 C ATOM 472 CG LYS A 31 -6.667 17.374 -2.422 1.00 0.00 C ATOM 473 CD LYS A 31 -7.126 16.081 -1.771 1.00 0.00 C ATOM 474 CE LYS A 31 -7.517 16.294 -0.316 1.00 0.00 C ATOM 475 NZ LYS A 31 -8.514 17.383 -0.142 1.00 0.00 N ATOM 0 H LYS A 31 -5.419 14.951 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.668 16.611 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.305 18.145 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.999 16.536 -4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.823 17.779 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.469 18.110 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.976 15.678 -2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.328 15.341 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.925 15.366 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.625 16.528 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.908 17.343 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.052 18.303 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.280 17.266 -0.835 1.00 0.00 H new ATOM 489 N VAL A 32 -2.646 16.774 -3.214 1.00 0.00 N ATOM 490 CA VAL A 32 -1.514 17.385 -2.549 1.00 0.00 C ATOM 491 C VAL A 32 -0.275 17.371 -3.462 1.00 0.00 C ATOM 492 O VAL A 32 0.728 18.007 -3.172 1.00 0.00 O ATOM 493 CB VAL A 32 -1.240 16.637 -1.211 1.00 0.00 C ATOM 494 CG1 VAL A 32 0.080 17.022 -0.574 1.00 0.00 C ATOM 495 CG2 VAL A 32 -2.377 16.886 -0.234 1.00 0.00 C ATOM 0 H VAL A 32 -2.466 15.829 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.742 18.428 -2.328 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.177 15.576 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.212 16.466 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.896 16.786 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.083 18.091 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.177 16.359 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.460 17.955 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.311 16.523 -0.663 1.00 0.00 H new ATOM 505 N GLU A 33 -0.356 16.641 -4.572 1.00 0.00 N ATOM 506 CA GLU A 33 0.761 16.533 -5.516 1.00 0.00 C ATOM 507 C GLU A 33 0.948 17.789 -6.382 1.00 0.00 C ATOM 508 O GLU A 33 2.073 18.135 -6.748 1.00 0.00 O ATOM 509 CB GLU A 33 0.541 15.321 -6.429 1.00 0.00 C ATOM 510 CG GLU A 33 -0.833 15.288 -7.086 1.00 0.00 C ATOM 511 CD GLU A 33 -0.988 14.155 -8.072 1.00 0.00 C ATOM 512 OE1 GLU A 33 -0.227 14.124 -9.056 1.00 0.00 O ATOM 513 OE2 GLU A 33 -1.881 13.306 -7.881 1.00 0.00 O ATOM 0 H GLU A 33 -1.185 16.113 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 33 1.667 16.417 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.305 15.320 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.677 14.410 -5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.597 15.197 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.008 16.234 -7.598 1.00 0.00 H new ATOM 520 N LEU A 34 -0.158 18.426 -6.738 1.00 0.00 N ATOM 521 CA LEU A 34 -0.145 19.609 -7.608 1.00 0.00 C ATOM 522 C LEU A 34 0.572 20.796 -6.977 1.00 0.00 C ATOM 523 O LEU A 34 1.683 21.157 -7.354 1.00 0.00 O ATOM 524 CB LEU A 34 -1.578 20.075 -7.943 1.00 0.00 C ATOM 525 CG LEU A 34 -2.615 18.995 -8.267 1.00 0.00 C ATOM 526 CD1 LEU A 34 -2.045 17.975 -9.232 1.00 0.00 C ATOM 527 CD2 LEU A 34 -3.139 18.330 -7.001 1.00 0.00 C ATOM 0 H LEU A 34 -1.091 18.144 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 34 0.386 19.296 -8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.949 20.655 -7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.521 20.753 -8.795 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.463 19.479 -8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.799 17.218 -9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.755 18.472 -10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.171 17.500 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.873 17.569 -7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.312 17.865 -6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.608 19.080 -6.364 1.00 0.00 H new ATOM 539 N PHE A 35 -0.151 21.408 -6.059 1.00 0.00 N ATOM 540 CA PHE A 35 0.238 22.622 -5.322 1.00 0.00 C ATOM 541 C PHE A 35 1.736 22.824 -5.015 1.00 0.00 C ATOM 542 O PHE A 35 2.257 23.913 -5.253 1.00 0.00 O ATOM 543 CB PHE A 35 -0.589 22.690 -4.043 1.00 0.00 C ATOM 544 CG PHE A 35 -2.052 22.513 -4.319 1.00 0.00 C ATOM 545 CD1 PHE A 35 -2.759 23.485 -5.004 1.00 0.00 C ATOM 546 CD2 PHE A 35 -2.712 21.362 -3.928 1.00 0.00 C ATOM 547 CE1 PHE A 35 -4.096 23.319 -5.290 1.00 0.00 C ATOM 548 CE2 PHE A 35 -4.052 21.192 -4.208 1.00 0.00 C ATOM 549 CZ PHE A 35 -4.746 22.168 -4.892 1.00 0.00 C ATOM 0 H PHE A 35 -1.072 21.066 -5.785 1.00 0.00 H new ATOM 0 HA PHE A 35 0.029 23.446 -6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.253 21.918 -3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.424 23.650 -3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.255 24.387 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.174 20.590 -3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.635 24.088 -5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.559 20.293 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.794 22.032 -5.115 1.00 0.00 H new ATOM 559 N PRO A 36 2.454 21.837 -4.455 1.00 0.00 N ATOM 560 CA PRO A 36 3.874 22.012 -4.105 1.00 0.00 C ATOM 561 C PRO A 36 4.830 21.974 -5.295 1.00 0.00 C ATOM 562 O PRO A 36 6.037 21.820 -5.123 1.00 0.00 O ATOM 563 CB PRO A 36 4.148 20.850 -3.160 1.00 0.00 C ATOM 564 CG PRO A 36 3.185 19.797 -3.576 1.00 0.00 C ATOM 565 CD PRO A 36 1.957 20.512 -4.074 1.00 0.00 C ATOM 0 HA PRO A 36 4.046 22.998 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.178 20.503 -3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.995 21.139 -2.120 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.612 19.168 -4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.940 19.143 -2.739 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.509 19.994 -4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.192 20.579 -3.301 1.00 0.00 H new ATOM 573 N ASN A 37 4.303 22.142 -6.492 1.00 0.00 N ATOM 574 CA ASN A 37 5.139 22.153 -7.681 1.00 0.00 C ATOM 575 C ASN A 37 5.362 23.589 -8.130 1.00 0.00 C ATOM 576 O ASN A 37 4.464 24.218 -8.695 1.00 0.00 O ATOM 577 CB ASN A 37 4.508 21.332 -8.808 1.00 0.00 C ATOM 578 CG ASN A 37 5.417 21.219 -10.015 1.00 0.00 C ATOM 579 OD1 ASN A 37 6.530 20.699 -9.919 1.00 0.00 O ATOM 580 ND2 ASN A 37 4.955 21.701 -11.157 1.00 0.00 N ATOM 0 H ASN A 37 3.307 22.272 -6.669 1.00 0.00 H new ATOM 0 HA ASN A 37 6.098 21.696 -7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.272 20.334 -8.439 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.566 21.793 -9.107 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.526 21.650 -12.000 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.028 22.124 -11.194 1.00 0.00 H new ATOM 587 N GLY A 38 6.551 24.111 -7.852 1.00 0.00 N ATOM 588 CA GLY A 38 6.869 25.487 -8.203 1.00 0.00 C ATOM 589 C GLY A 38 6.845 25.754 -9.695 1.00 0.00 C ATOM 590 O GLY A 38 6.539 26.866 -10.120 1.00 0.00 O ATOM 0 H GLY A 38 7.305 23.605 -7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.158 26.152 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.857 25.733 -7.814 1.00 0.00 H new ATOM 594 N GLY A 39 7.178 24.745 -10.489 1.00 0.00 N ATOM 595 CA GLY A 39 7.192 24.919 -11.930 1.00 0.00 C ATOM 596 C GLY A 39 8.536 25.404 -12.428 1.00 0.00 C ATOM 597 O GLY A 39 8.614 26.168 -13.389 1.00 0.00 O ATOM 0 H GLY A 39 7.438 23.814 -10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.946 23.973 -12.412 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.420 25.633 -12.217 1.00 0.00 H new ATOM 601 N ILE A 40 9.596 24.956 -11.766 1.00 0.00 N ATOM 602 CA ILE A 40 10.948 25.335 -12.133 1.00 0.00 C ATOM 603 C ILE A 40 11.800 24.073 -12.285 1.00 0.00 C ATOM 604 O ILE A 40 11.590 23.120 -11.511 1.00 0.00 O ATOM 605 CB ILE A 40 11.548 26.311 -11.080 1.00 0.00 C ATOM 606 CG1 ILE A 40 12.919 26.855 -11.523 1.00 0.00 C ATOM 607 CG2 ILE A 40 11.650 25.647 -9.710 1.00 0.00 C ATOM 608 CD1 ILE A 40 14.101 25.981 -11.145 1.00 0.00 C ATOM 609 OXT ILE A 40 12.643 24.031 -13.199 1.00 0.00 O ATOM 0 H ILE A 40 9.540 24.325 -10.967 1.00 0.00 H new ATOM 0 HA ILE A 40 10.936 25.862 -13.087 1.00 0.00 H new ATOM 0 HB ILE A 40 10.866 27.157 -11.001 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.911 26.983 -12.605 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.061 27.843 -11.086 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.073 26.352 -8.994 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.657 25.344 -9.378 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.293 24.770 -9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 40 15.023 26.443 -11.498 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.141 25.872 -10.061 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.989 24.999 -11.604 1.00 0.00 H new TER 621 ILE A 40 ATOM 622 N GLY B 41 0.856 -29.226 -2.835 1.00 0.00 N ATOM 623 CA GLY B 41 0.763 -30.125 -1.655 1.00 0.00 C ATOM 624 C GLY B 41 0.649 -29.348 -0.365 1.00 0.00 C ATOM 625 O GLY B 41 -0.348 -28.669 -0.134 1.00 0.00 O ATOM 0 HA2 GLY B 41 -0.103 -30.778 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY B 41 1.644 -30.766 -1.616 1.00 0.00 H new ATOM 631 N LEU B 42 1.676 -29.436 0.470 1.00 0.00 N ATOM 632 CA LEU B 42 1.696 -28.719 1.742 1.00 0.00 C ATOM 633 C LEU B 42 2.810 -27.663 1.756 1.00 0.00 C ATOM 634 O LEU B 42 2.530 -26.492 2.004 1.00 0.00 O ATOM 635 CB LEU B 42 1.854 -29.691 2.920 1.00 0.00 C ATOM 636 CG LEU B 42 0.717 -30.706 3.093 1.00 0.00 C ATOM 637 CD1 LEU B 42 1.044 -31.696 4.201 1.00 0.00 C ATOM 638 CD2 LEU B 42 -0.597 -29.994 3.380 1.00 0.00 C ATOM 0 H LEU B 42 2.508 -29.997 0.290 1.00 0.00 H new ATOM 0 HA LEU B 42 0.740 -28.207 1.853 1.00 0.00 H new ATOM 0 HB2 LEU B 42 2.789 -30.237 2.796 1.00 0.00 H new ATOM 0 HB3 LEU B 42 1.943 -29.111 3.838 1.00 0.00 H new ATOM 0 HG LEU B 42 0.610 -31.261 2.161 1.00 0.00 H new ATOM 0 HD11 LEU B 42 0.225 -32.407 4.307 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.960 -32.232 3.951 1.00 0.00 H new ATOM 0 HD13 LEU B 42 1.182 -31.159 5.139 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -1.391 -30.731 3.500 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -0.502 -29.411 4.296 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -0.840 -29.330 2.550 1.00 0.00 H new ATOM 650 N PRO B 43 4.096 -28.056 1.531 1.00 0.00 N ATOM 651 CA PRO B 43 5.229 -27.130 1.547 1.00 0.00 C ATOM 652 C PRO B 43 4.959 -25.831 0.789 1.00 0.00 C ATOM 653 O PRO B 43 5.259 -24.745 1.276 1.00 0.00 O ATOM 654 CB PRO B 43 6.345 -27.893 0.842 1.00 0.00 C ATOM 655 CG PRO B 43 6.017 -29.334 1.003 1.00 0.00 C ATOM 656 CD PRO B 43 4.543 -29.435 1.307 1.00 0.00 C ATOM 0 HA PRO B 43 5.460 -26.831 2.570 1.00 0.00 H new ATOM 0 HB2 PRO B 43 6.400 -27.620 -0.212 1.00 0.00 H new ATOM 0 HB3 PRO B 43 7.315 -27.662 1.282 1.00 0.00 H new ATOM 0 HG2 PRO B 43 6.259 -29.886 0.095 1.00 0.00 H new ATOM 0 HG3 PRO B 43 6.605 -29.773 1.809 1.00 0.00 H new ATOM 0 HD2 PRO B 43 4.002 -29.894 0.480 1.00 0.00 H new ATOM 0 HD3 PRO B 43 4.365 -30.054 2.187 1.00 0.00 H new ATOM 664 N ASP B 44 4.394 -25.968 -0.411 1.00 0.00 N ATOM 665 CA ASP B 44 4.068 -24.831 -1.277 1.00 0.00 C ATOM 666 C ASP B 44 3.026 -23.923 -0.642 1.00 0.00 C ATOM 667 O ASP B 44 3.020 -22.714 -0.880 1.00 0.00 O ATOM 668 CB ASP B 44 3.574 -25.327 -2.646 1.00 0.00 C ATOM 669 CG ASP B 44 2.542 -26.436 -2.551 1.00 0.00 C ATOM 670 OD1 ASP B 44 2.893 -27.540 -2.083 1.00 0.00 O ATOM 671 OD2 ASP B 44 1.388 -26.214 -2.951 1.00 0.00 O ATOM 0 H ASP B 44 4.148 -26.873 -0.812 1.00 0.00 H new ATOM 0 HA ASP B 44 4.979 -24.249 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.145 -24.488 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP B 44 4.427 -25.683 -3.224 1.00 0.00 H new ATOM 676 N VAL B 45 2.164 -24.499 0.182 1.00 0.00 N ATOM 677 CA VAL B 45 1.136 -23.732 0.868 1.00 0.00 C ATOM 678 C VAL B 45 1.792 -22.820 1.900 1.00 0.00 C ATOM 679 O VAL B 45 1.515 -21.620 1.955 1.00 0.00 O ATOM 680 CB VAL B 45 0.110 -24.663 1.554 1.00 0.00 C ATOM 681 CG1 VAL B 45 -1.025 -23.877 2.181 1.00 0.00 C ATOM 682 CG2 VAL B 45 -0.446 -25.664 0.556 1.00 0.00 C ATOM 0 H VAL B 45 2.156 -25.497 0.392 1.00 0.00 H new ATOM 0 HA VAL B 45 0.600 -23.130 0.134 1.00 0.00 H new ATOM 0 HB VAL B 45 0.631 -25.197 2.349 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -1.726 -24.565 2.654 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -0.624 -23.195 2.931 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -1.541 -23.305 1.410 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -1.167 -26.312 1.054 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -0.938 -25.131 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL B 45 0.368 -26.268 0.154 1.00 0.00 H new ATOM 692 N ALA B 46 2.699 -23.386 2.689 1.00 0.00 N ATOM 693 CA ALA B 46 3.420 -22.613 3.693 1.00 0.00 C ATOM 694 C ALA B 46 4.435 -21.693 3.025 1.00 0.00 C ATOM 695 O ALA B 46 4.783 -20.642 3.556 1.00 0.00 O ATOM 696 CB ALA B 46 4.107 -23.526 4.693 1.00 0.00 C ATOM 0 H ALA B 46 2.952 -24.374 2.653 1.00 0.00 H new ATOM 0 HA ALA B 46 2.698 -22.002 4.235 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.637 -22.924 5.431 1.00 0.00 H new ATOM 0 HB2 ALA B 46 3.361 -24.142 5.196 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.816 -24.169 4.171 1.00 0.00 H new ATOM 702 N SER B 47 4.885 -22.075 1.839 1.00 0.00 N ATOM 703 CA SER B 47 5.827 -21.258 1.091 1.00 0.00 C ATOM 704 C SER B 47 5.116 -20.025 0.560 1.00 0.00 C ATOM 705 O SER B 47 5.732 -19.024 0.199 1.00 0.00 O ATOM 706 CB SER B 47 6.437 -22.057 -0.058 1.00 0.00 C ATOM 707 OG SER B 47 7.200 -23.144 0.437 1.00 0.00 O ATOM 0 H SER B 47 4.614 -22.942 1.376 1.00 0.00 H new ATOM 0 HA SER B 47 6.635 -20.949 1.754 1.00 0.00 H new ATOM 0 HB2 SER B 47 5.646 -22.428 -0.709 1.00 0.00 H new ATOM 0 HB3 SER B 47 7.070 -21.408 -0.663 1.00 0.00 H new ATOM 0 HG SER B 47 6.608 -23.780 0.891 1.00 0.00 H new ATOM 713 N LEU B 48 3.802 -20.085 0.537 1.00 0.00 N ATOM 714 CA LEU B 48 3.028 -18.960 0.073 1.00 0.00 C ATOM 715 C LEU B 48 2.949 -17.892 1.155 1.00 0.00 C ATOM 716 O LEU B 48 2.751 -16.718 0.855 1.00 0.00 O ATOM 717 CB LEU B 48 1.627 -19.398 -0.370 1.00 0.00 C ATOM 718 CG LEU B 48 0.697 -18.253 -0.783 1.00 0.00 C ATOM 719 CD1 LEU B 48 1.221 -17.532 -2.019 1.00 0.00 C ATOM 720 CD2 LEU B 48 -0.711 -18.764 -1.028 1.00 0.00 C ATOM 0 H LEU B 48 3.254 -20.893 0.831 1.00 0.00 H new ATOM 0 HA LEU B 48 3.529 -18.534 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU B 48 1.725 -20.088 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU B 48 1.160 -19.951 0.445 1.00 0.00 H new ATOM 0 HG LEU B 48 0.670 -17.538 0.039 1.00 0.00 H new ATOM 0 HD11 LEU B 48 0.539 -16.725 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU B 48 2.207 -17.118 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.293 -18.236 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -1.354 -17.934 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -0.695 -19.508 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -1.097 -19.218 -0.115 1.00 0.00 H new ATOM 732 N ARG B 49 3.143 -18.292 2.411 1.00 0.00 N ATOM 733 CA ARG B 49 3.120 -17.334 3.514 1.00 0.00 C ATOM 734 C ARG B 49 4.342 -16.430 3.407 1.00 0.00 C ATOM 735 O ARG B 49 4.412 -15.374 4.038 1.00 0.00 O ATOM 736 CB ARG B 49 3.135 -18.012 4.902 1.00 0.00 C ATOM 737 CG ARG B 49 2.546 -19.415 4.980 1.00 0.00 C ATOM 738 CD ARG B 49 1.203 -19.526 4.283 1.00 0.00 C ATOM 739 NE ARG B 49 0.298 -20.482 4.936 1.00 0.00 N ATOM 740 CZ ARG B 49 -0.232 -20.323 6.158 1.00 0.00 C ATOM 741 NH1 ARG B 49 0.065 -19.261 6.895 1.00 0.00 N ATOM 742 NH2 ARG B 49 -1.048 -21.242 6.647 1.00 0.00 N ATOM 0 H ARG B 49 3.315 -19.259 2.687 1.00 0.00 H new ATOM 0 HA ARG B 49 2.190 -16.771 3.432 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.167 -18.056 5.249 1.00 0.00 H new ATOM 0 HB3 ARG B 49 2.591 -17.374 5.599 1.00 0.00 H new ATOM 0 HG2 ARG B 49 3.243 -20.123 4.531 1.00 0.00 H new ATOM 0 HG3 ARG B 49 2.432 -19.699 6.026 1.00 0.00 H new ATOM 0 HD2 ARG B 49 0.730 -18.544 4.258 1.00 0.00 H new ATOM 0 HD3 ARG B 49 1.360 -19.831 3.248 1.00 0.00 H new ATOM 0 HE ARG B 49 0.055 -21.329 4.422 1.00 0.00 H new ATOM 0 HH11 ARG B 49 0.704 -18.552 6.534 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -0.345 -19.153 7.823 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -1.273 -22.070 6.095 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -1.452 -21.123 7.576 1.00 0.00 H new ATOM 756 N GLN B 50 5.302 -16.867 2.598 1.00 0.00 N ATOM 757 CA GLN B 50 6.538 -16.132 2.385 1.00 0.00 C ATOM 758 C GLN B 50 6.300 -15.001 1.397 1.00 0.00 C ATOM 759 O GLN B 50 6.802 -13.893 1.567 1.00 0.00 O ATOM 760 CB GLN B 50 7.594 -17.093 1.861 1.00 0.00 C ATOM 761 CG GLN B 50 7.418 -18.506 2.399 1.00 0.00 C ATOM 762 CD GLN B 50 8.034 -18.704 3.768 1.00 0.00 C ATOM 763 OE1 GLN B 50 9.208 -18.397 3.969 1.00 0.00 O ATOM 764 NE2 GLN B 50 7.260 -19.228 4.709 1.00 0.00 N ATOM 0 H GLN B 50 5.243 -17.740 2.074 1.00 0.00 H new ATOM 0 HA GLN B 50 6.884 -15.697 3.323 1.00 0.00 H new ATOM 0 HB2 GLN B 50 7.552 -17.115 0.772 1.00 0.00 H new ATOM 0 HB3 GLN B 50 8.583 -16.725 2.134 1.00 0.00 H new ATOM 0 HG2 GLN B 50 6.354 -18.739 2.449 1.00 0.00 H new ATOM 0 HG3 GLN B 50 7.866 -19.212 1.700 1.00 0.00 H new ATOM 0 HE21 GLN B 50 6.291 -19.468 4.498 1.00 0.00 H new ATOM 0 HE22 GLN B 50 7.633 -19.391 5.644 1.00 0.00 H new ATOM 773 N GLN B 51 5.498 -15.286 0.376 1.00 0.00 N ATOM 774 CA GLN B 51 5.150 -14.291 -0.627 1.00 0.00 C ATOM 775 C GLN B 51 4.153 -13.305 -0.025 1.00 0.00 C ATOM 776 O GLN B 51 4.049 -12.152 -0.441 1.00 0.00 O ATOM 777 CB GLN B 51 4.548 -14.971 -1.861 1.00 0.00 C ATOM 778 CG GLN B 51 4.243 -14.014 -3.004 1.00 0.00 C ATOM 779 CD GLN B 51 5.484 -13.432 -3.658 1.00 0.00 C ATOM 780 OE1 GLN B 51 6.653 -13.958 -3.314 1.00 0.00 O flip ATOM 781 NE2 GLN B 51 5.388 -12.524 -4.483 1.00 0.00 N flip ATOM 0 H GLN B 51 5.076 -16.202 0.223 1.00 0.00 H new ATOM 0 HA GLN B 51 6.048 -13.756 -0.937 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.238 -15.736 -2.215 1.00 0.00 H new ATOM 0 HB3 GLN B 51 3.629 -15.480 -1.571 1.00 0.00 H new ATOM 0 HG2 GLN B 51 3.657 -14.538 -3.759 1.00 0.00 H new ATOM 0 HG3 GLN B 51 3.624 -13.199 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN B 51 4.471 -12.146 -4.721 1.00 0.00 H new ATOM 0 HE22 GLN B 51 6.225 -12.149 -4.929 1.00 0.00 H new ATOM 790 N VAL B 52 3.438 -13.788 0.978 1.00 0.00 N ATOM 791 CA VAL B 52 2.452 -13.003 1.695 1.00 0.00 C ATOM 792 C VAL B 52 3.155 -11.986 2.588 1.00 0.00 C ATOM 793 O VAL B 52 2.809 -10.804 2.599 1.00 0.00 O ATOM 794 CB VAL B 52 1.560 -13.964 2.522 1.00 0.00 C ATOM 795 CG1 VAL B 52 0.959 -13.317 3.753 1.00 0.00 C ATOM 796 CG2 VAL B 52 0.494 -14.602 1.641 1.00 0.00 C ATOM 0 H VAL B 52 3.528 -14.745 1.319 1.00 0.00 H new ATOM 0 HA VAL B 52 1.821 -12.451 0.998 1.00 0.00 H new ATOM 0 HB VAL B 52 2.214 -14.751 2.897 1.00 0.00 H new ATOM 0 HG11 VAL B 52 0.347 -14.045 4.285 1.00 0.00 H new ATOM 0 HG12 VAL B 52 1.758 -12.968 4.407 1.00 0.00 H new ATOM 0 HG13 VAL B 52 0.339 -12.472 3.454 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -0.121 -15.273 2.241 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -0.134 -13.823 1.209 1.00 0.00 H new ATOM 0 HG23 VAL B 52 0.973 -15.167 0.842 1.00 0.00 H new ATOM 806 N GLU B 53 4.177 -12.455 3.302 1.00 0.00 N ATOM 807 CA GLU B 53 4.971 -11.590 4.166 1.00 0.00 C ATOM 808 C GLU B 53 5.764 -10.619 3.296 1.00 0.00 C ATOM 809 O GLU B 53 6.093 -9.505 3.706 1.00 0.00 O ATOM 810 CB GLU B 53 5.914 -12.425 5.036 1.00 0.00 C ATOM 811 CG GLU B 53 6.560 -11.641 6.163 1.00 0.00 C ATOM 812 CD GLU B 53 7.526 -12.480 6.960 1.00 0.00 C ATOM 813 OE1 GLU B 53 7.093 -13.494 7.542 1.00 0.00 O ATOM 814 OE2 GLU B 53 8.719 -12.129 6.996 1.00 0.00 O ATOM 0 H GLU B 53 4.473 -13.431 3.298 1.00 0.00 H new ATOM 0 HA GLU B 53 4.312 -11.030 4.829 1.00 0.00 H new ATOM 0 HB2 GLU B 53 5.358 -13.261 5.460 1.00 0.00 H new ATOM 0 HB3 GLU B 53 6.696 -12.849 4.406 1.00 0.00 H new ATOM 0 HG2 GLU B 53 7.085 -10.780 5.750 1.00 0.00 H new ATOM 0 HG3 GLU B 53 5.785 -11.255 6.825 1.00 0.00 H new ATOM 821 N ALA B 54 6.030 -11.061 2.074 1.00 0.00 N ATOM 822 CA ALA B 54 6.741 -10.272 1.086 1.00 0.00 C ATOM 823 C ALA B 54 5.942 -9.032 0.719 1.00 0.00 C ATOM 824 O ALA B 54 6.443 -7.910 0.781 1.00 0.00 O ATOM 825 CB ALA B 54 6.957 -11.112 -0.153 1.00 0.00 C ATOM 0 H ALA B 54 5.755 -11.985 1.741 1.00 0.00 H new ATOM 0 HA ALA B 54 7.699 -9.961 1.503 1.00 0.00 H new ATOM 0 HB1 ALA B 54 7.491 -10.526 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA B 54 7.543 -11.994 0.103 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.992 -11.422 -0.555 1.00 0.00 H new ATOM 831 N LEU B 55 4.686 -9.259 0.340 1.00 0.00 N ATOM 832 CA LEU B 55 3.782 -8.182 -0.039 1.00 0.00 C ATOM 833 C LEU B 55 3.568 -7.252 1.148 1.00 0.00 C ATOM 834 O LEU B 55 3.404 -6.039 0.995 1.00 0.00 O ATOM 835 CB LEU B 55 2.447 -8.775 -0.491 1.00 0.00 C ATOM 836 CG LEU B 55 1.616 -7.882 -1.409 1.00 0.00 C ATOM 837 CD1 LEU B 55 2.370 -7.612 -2.701 1.00 0.00 C ATOM 838 CD2 LEU B 55 0.269 -8.523 -1.698 1.00 0.00 C ATOM 0 H LEU B 55 4.271 -10.189 0.288 1.00 0.00 H new ATOM 0 HA LEU B 55 4.216 -7.612 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU B 55 2.641 -9.716 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU B 55 1.855 -9.011 0.393 1.00 0.00 H new ATOM 0 HG LEU B 55 1.440 -6.931 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU B 55 1.767 -6.974 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU B 55 3.312 -7.113 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU B 55 2.572 -8.555 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -0.310 -7.873 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU B 55 0.421 -9.486 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -0.272 -8.670 -0.763 1.00 0.00 H new ATOM 850 N GLN B 56 3.606 -7.845 2.333 1.00 0.00 N ATOM 851 CA GLN B 56 3.450 -7.111 3.582 1.00 0.00 C ATOM 852 C GLN B 56 4.603 -6.135 3.766 1.00 0.00 C ATOM 853 O GLN B 56 4.417 -5.036 4.270 1.00 0.00 O ATOM 854 CB GLN B 56 3.378 -8.095 4.754 1.00 0.00 C ATOM 855 CG GLN B 56 3.863 -7.527 6.073 1.00 0.00 C ATOM 856 CD GLN B 56 3.454 -8.376 7.256 1.00 0.00 C ATOM 857 OE1 GLN B 56 2.265 -8.555 7.524 1.00 0.00 O ATOM 858 NE2 GLN B 56 4.434 -8.905 7.971 1.00 0.00 N ATOM 0 H GLN B 56 3.746 -8.848 2.456 1.00 0.00 H new ATOM 0 HA GLN B 56 2.523 -6.539 3.549 1.00 0.00 H new ATOM 0 HB2 GLN B 56 2.347 -8.428 4.872 1.00 0.00 H new ATOM 0 HB3 GLN B 56 3.971 -8.976 4.511 1.00 0.00 H new ATOM 0 HG2 GLN B 56 4.949 -7.441 6.050 1.00 0.00 H new ATOM 0 HG3 GLN B 56 3.466 -6.520 6.199 1.00 0.00 H new ATOM 0 HE21 GLN B 56 5.405 -8.730 7.713 1.00 0.00 H new ATOM 0 HE22 GLN B 56 4.218 -9.487 8.780 1.00 0.00 H new ATOM 867 N GLY B 57 5.787 -6.532 3.335 1.00 0.00 N ATOM 868 CA GLY B 57 6.944 -5.662 3.443 1.00 0.00 C ATOM 869 C GLY B 57 6.764 -4.381 2.647 1.00 0.00 C ATOM 870 O GLY B 57 7.269 -3.319 3.023 1.00 0.00 O ATOM 0 H GLY B 57 5.972 -7.441 2.911 1.00 0.00 H new ATOM 0 HA2 GLY B 57 7.118 -5.417 4.491 1.00 0.00 H new ATOM 0 HA3 GLY B 57 7.829 -6.189 3.088 1.00 0.00 H new ATOM 874 N GLN B 58 6.024 -4.476 1.552 1.00 0.00 N ATOM 875 CA GLN B 58 5.768 -3.322 0.709 1.00 0.00 C ATOM 876 C GLN B 58 4.772 -2.380 1.364 1.00 0.00 C ATOM 877 O GLN B 58 4.985 -1.172 1.419 1.00 0.00 O ATOM 878 CB GLN B 58 5.252 -3.758 -0.657 1.00 0.00 C ATOM 879 CG GLN B 58 6.197 -4.689 -1.388 1.00 0.00 C ATOM 880 CD GLN B 58 5.788 -4.922 -2.828 1.00 0.00 C ATOM 881 OE1 GLN B 58 4.658 -5.317 -3.108 1.00 0.00 O ATOM 882 NE2 GLN B 58 6.702 -4.672 -3.753 1.00 0.00 N ATOM 0 H GLN B 58 5.591 -5.341 1.228 1.00 0.00 H new ATOM 0 HA GLN B 58 6.710 -2.791 0.576 1.00 0.00 H new ATOM 0 HB2 GLN B 58 4.289 -4.254 -0.532 1.00 0.00 H new ATOM 0 HB3 GLN B 58 5.078 -2.874 -1.270 1.00 0.00 H new ATOM 0 HG2 GLN B 58 7.204 -4.272 -1.363 1.00 0.00 H new ATOM 0 HG3 GLN B 58 6.235 -5.645 -0.866 1.00 0.00 H new ATOM 0 HE21 GLN B 58 7.629 -4.345 -3.479 1.00 0.00 H new ATOM 0 HE22 GLN B 58 6.479 -4.806 -4.739 1.00 0.00 H new ATOM 891 N VAL B 59 3.682 -2.923 1.856 1.00 0.00 N ATOM 892 CA VAL B 59 2.669 -2.099 2.485 1.00 0.00 C ATOM 893 C VAL B 59 3.185 -1.460 3.779 1.00 0.00 C ATOM 894 O VAL B 59 2.851 -0.311 4.088 1.00 0.00 O ATOM 895 CB VAL B 59 1.373 -2.912 2.732 1.00 0.00 C ATOM 896 CG1 VAL B 59 1.644 -4.137 3.579 1.00 0.00 C ATOM 897 CG2 VAL B 59 0.295 -2.069 3.374 1.00 0.00 C ATOM 0 H VAL B 59 3.473 -3.921 1.835 1.00 0.00 H new ATOM 0 HA VAL B 59 2.429 -1.286 1.800 1.00 0.00 H new ATOM 0 HB VAL B 59 1.015 -3.236 1.755 1.00 0.00 H new ATOM 0 HG11 VAL B 59 0.715 -4.685 3.734 1.00 0.00 H new ATOM 0 HG12 VAL B 59 2.364 -4.779 3.071 1.00 0.00 H new ATOM 0 HG13 VAL B 59 2.049 -3.830 4.543 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -0.597 -2.676 3.530 1.00 0.00 H new ATOM 0 HG22 VAL B 59 0.650 -1.693 4.333 1.00 0.00 H new ATOM 0 HG23 VAL B 59 0.053 -1.230 2.722 1.00 0.00 H new ATOM 907 N GLN B 60 4.008 -2.187 4.526 1.00 0.00 N ATOM 908 CA GLN B 60 4.560 -1.662 5.770 1.00 0.00 C ATOM 909 C GLN B 60 5.489 -0.484 5.492 1.00 0.00 C ATOM 910 O GLN B 60 5.421 0.536 6.179 1.00 0.00 O ATOM 911 CB GLN B 60 5.300 -2.750 6.559 1.00 0.00 C ATOM 912 CG GLN B 60 6.553 -3.275 5.879 1.00 0.00 C ATOM 913 CD GLN B 60 7.233 -4.368 6.678 1.00 0.00 C ATOM 914 OE1 GLN B 60 6.614 -5.365 7.050 1.00 0.00 O ATOM 915 NE2 GLN B 60 8.518 -4.189 6.935 1.00 0.00 N ATOM 0 H GLN B 60 4.306 -3.135 4.295 1.00 0.00 H new ATOM 0 HA GLN B 60 3.726 -1.314 6.379 1.00 0.00 H new ATOM 0 HB2 GLN B 60 5.571 -2.352 7.537 1.00 0.00 H new ATOM 0 HB3 GLN B 60 4.619 -3.583 6.732 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.293 -3.659 4.892 1.00 0.00 H new ATOM 0 HG3 GLN B 60 7.252 -2.452 5.727 1.00 0.00 H new ATOM 0 HE21 GLN B 60 8.991 -3.347 6.607 1.00 0.00 H new ATOM 0 HE22 GLN B 60 9.036 -4.893 7.461 1.00 0.00 H new ATOM 924 N HIS B 61 6.360 -0.607 4.486 1.00 0.00 N ATOM 925 CA HIS B 61 7.267 0.490 4.183 1.00 0.00 C ATOM 926 C HIS B 61 6.528 1.617 3.463 1.00 0.00 C ATOM 927 O HIS B 61 7.027 2.736 3.393 1.00 0.00 O ATOM 928 CB HIS B 61 8.515 0.042 3.417 1.00 0.00 C ATOM 929 CG HIS B 61 8.365 0.014 1.948 1.00 0.00 C ATOM 930 ND1 HIS B 61 7.653 -0.938 1.308 1.00 0.00 N ATOM 931 CD2 HIS B 61 8.797 0.877 0.995 1.00 0.00 C ATOM 932 CE1 HIS B 61 7.653 -0.649 0.018 1.00 0.00 C ATOM 933 NE2 HIS B 61 8.335 0.447 -0.236 1.00 0.00 N ATOM 0 H HIS B 61 6.452 -1.428 3.888 1.00 0.00 H new ATOM 0 HA HIS B 61 7.631 0.875 5.135 1.00 0.00 H new ATOM 0 HB2 HIS B 61 9.339 0.709 3.671 1.00 0.00 H new ATOM 0 HB3 HIS B 61 8.795 -0.955 3.758 1.00 0.00 H new ATOM 0 HD1 HIS B 61 7.196 -1.739 1.743 1.00 0.00 H new ATOM 0 HD2 HIS B 61 9.402 1.755 1.169 1.00 0.00 H new ATOM 0 HE1 HIS B 61 7.154 -1.240 -0.735 1.00 0.00 H new ATOM 941 N LEU B 62 5.312 1.346 2.982 1.00 0.00 N ATOM 942 CA LEU B 62 4.522 2.394 2.357 1.00 0.00 C ATOM 943 C LEU B 62 4.010 3.290 3.468 1.00 0.00 C ATOM 944 O LEU B 62 3.946 4.504 3.322 1.00 0.00 O ATOM 945 CB LEU B 62 3.352 1.842 1.536 1.00 0.00 C ATOM 946 CG LEU B 62 3.737 1.199 0.200 1.00 0.00 C ATOM 947 CD1 LEU B 62 2.547 1.174 -0.747 1.00 0.00 C ATOM 948 CD2 LEU B 62 4.901 1.937 -0.433 1.00 0.00 C ATOM 0 H LEU B 62 4.866 0.429 3.014 1.00 0.00 H new ATOM 0 HA LEU B 62 5.148 2.944 1.654 1.00 0.00 H new ATOM 0 HB2 LEU B 62 2.824 1.102 2.138 1.00 0.00 H new ATOM 0 HB3 LEU B 62 2.651 2.654 1.341 1.00 0.00 H new ATOM 0 HG LEU B 62 4.044 0.171 0.394 1.00 0.00 H new ATOM 0 HD11 LEU B 62 2.842 0.713 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU B 62 1.738 0.598 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU B 62 2.207 2.193 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU B 62 5.159 1.465 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU B 62 4.621 2.975 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU B 62 5.761 1.902 0.236 1.00 0.00 H new ATOM 960 N GLN B 63 3.708 2.669 4.610 1.00 0.00 N ATOM 961 CA GLN B 63 3.275 3.407 5.785 1.00 0.00 C ATOM 962 C GLN B 63 4.458 4.228 6.284 1.00 0.00 C ATOM 963 O GLN B 63 4.307 5.363 6.741 1.00 0.00 O ATOM 964 CB GLN B 63 2.797 2.455 6.886 1.00 0.00 C ATOM 965 CG GLN B 63 1.397 1.913 6.663 1.00 0.00 C ATOM 966 CD GLN B 63 0.329 2.920 7.038 1.00 0.00 C ATOM 967 OE1 GLN B 63 0.316 4.043 6.537 1.00 0.00 O ATOM 968 NE2 GLN B 63 -0.571 2.528 7.929 1.00 0.00 N ATOM 0 H GLN B 63 3.757 1.659 4.740 1.00 0.00 H new ATOM 0 HA GLN B 63 2.438 4.055 5.524 1.00 0.00 H new ATOM 0 HB2 GLN B 63 3.493 1.619 6.958 1.00 0.00 H new ATOM 0 HB3 GLN B 63 2.826 2.977 7.842 1.00 0.00 H new ATOM 0 HG2 GLN B 63 1.279 1.634 5.616 1.00 0.00 H new ATOM 0 HG3 GLN B 63 1.262 1.006 7.252 1.00 0.00 H new ATOM 0 HE21 GLN B 63 -0.525 1.587 8.321 1.00 0.00 H new ATOM 0 HE22 GLN B 63 -1.310 3.167 8.223 1.00 0.00 H new ATOM 977 N ALA B 64 5.643 3.633 6.143 1.00 0.00 N ATOM 978 CA ALA B 64 6.894 4.276 6.518 1.00 0.00 C ATOM 979 C ALA B 64 7.031 5.587 5.767 1.00 0.00 C ATOM 980 O ALA B 64 7.260 6.641 6.358 1.00 0.00 O ATOM 981 CB ALA B 64 8.070 3.372 6.180 1.00 0.00 C ATOM 0 H ALA B 64 5.758 2.692 5.766 1.00 0.00 H new ATOM 0 HA ALA B 64 6.890 4.465 7.591 1.00 0.00 H new ATOM 0 HB1 ALA B 64 9.000 3.863 6.465 1.00 0.00 H new ATOM 0 HB2 ALA B 64 7.975 2.432 6.724 1.00 0.00 H new ATOM 0 HB3 ALA B 64 8.079 3.172 5.109 1.00 0.00 H new ATOM 987 N ALA B 65 6.862 5.506 4.450 1.00 0.00 N ATOM 988 CA ALA B 65 6.937 6.670 3.585 1.00 0.00 C ATOM 989 C ALA B 65 5.868 7.678 3.980 1.00 0.00 C ATOM 990 O ALA B 65 6.136 8.877 4.057 1.00 0.00 O ATOM 991 CB ALA B 65 6.772 6.260 2.125 1.00 0.00 C ATOM 0 H ALA B 65 6.670 4.633 3.958 1.00 0.00 H new ATOM 0 HA ALA B 65 7.917 7.133 3.701 1.00 0.00 H new ATOM 0 HB1 ALA B 65 6.831 7.144 1.490 1.00 0.00 H new ATOM 0 HB2 ALA B 65 7.564 5.563 1.851 1.00 0.00 H new ATOM 0 HB3 ALA B 65 5.803 5.779 1.989 1.00 0.00 H new ATOM 997 N PHE B 66 4.659 7.175 4.242 1.00 0.00 N ATOM 998 CA PHE B 66 3.531 8.017 4.644 1.00 0.00 C ATOM 999 C PHE B 66 3.863 8.853 5.869 1.00 0.00 C ATOM 1000 O PHE B 66 3.310 9.924 6.039 1.00 0.00 O ATOM 1001 CB PHE B 66 2.282 7.186 4.951 1.00 0.00 C ATOM 1002 CG PHE B 66 1.399 6.920 3.767 1.00 0.00 C ATOM 1003 CD1 PHE B 66 0.910 7.968 2.995 1.00 0.00 C ATOM 1004 CD2 PHE B 66 1.034 5.624 3.442 1.00 0.00 C ATOM 1005 CE1 PHE B 66 0.083 7.718 1.918 1.00 0.00 C ATOM 1006 CE2 PHE B 66 0.212 5.371 2.368 1.00 0.00 C ATOM 1007 CZ PHE B 66 -0.269 6.418 1.605 1.00 0.00 C ATOM 0 H PHE B 66 4.436 6.181 4.182 1.00 0.00 H new ATOM 0 HA PHE B 66 3.331 8.674 3.797 1.00 0.00 H new ATOM 0 HB2 PHE B 66 2.593 6.232 5.377 1.00 0.00 H new ATOM 0 HB3 PHE B 66 1.698 7.701 5.714 1.00 0.00 H new ATOM 0 HD1 PHE B 66 1.179 8.985 3.240 1.00 0.00 H new ATOM 0 HD2 PHE B 66 1.399 4.802 4.039 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -0.289 8.537 1.320 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -0.057 4.355 2.121 1.00 0.00 H new ATOM 0 HZ PHE B 66 -0.919 6.221 0.765 1.00 0.00 H new ATOM 1017 N SER B 67 4.762 8.367 6.722 1.00 0.00 N ATOM 1018 CA SER B 67 5.146 9.105 7.927 1.00 0.00 C ATOM 1019 C SER B 67 5.596 10.529 7.573 1.00 0.00 C ATOM 1020 O SER B 67 5.473 11.455 8.374 1.00 0.00 O ATOM 1021 CB SER B 67 6.270 8.361 8.655 1.00 0.00 C ATOM 1022 OG SER B 67 6.612 8.990 9.877 1.00 0.00 O ATOM 0 H SER B 67 5.236 7.472 6.604 1.00 0.00 H new ATOM 0 HA SER B 67 4.278 9.175 8.583 1.00 0.00 H new ATOM 0 HB2 SER B 67 5.960 7.334 8.849 1.00 0.00 H new ATOM 0 HB3 SER B 67 7.149 8.312 8.013 1.00 0.00 H new ATOM 0 HG SER B 67 7.331 8.487 10.314 1.00 0.00 H new ATOM 1028 N GLN B 68 6.106 10.695 6.354 1.00 0.00 N ATOM 1029 CA GLN B 68 6.564 11.992 5.878 1.00 0.00 C ATOM 1030 C GLN B 68 5.475 12.715 5.090 1.00 0.00 C ATOM 1031 O GLN B 68 5.330 13.928 5.193 1.00 0.00 O ATOM 1032 CB GLN B 68 7.808 11.815 5.003 1.00 0.00 C ATOM 1033 CG GLN B 68 8.938 11.071 5.696 1.00 0.00 C ATOM 1034 CD GLN B 68 9.466 11.812 6.902 1.00 0.00 C ATOM 1035 OE1 GLN B 68 9.980 12.924 6.785 1.00 0.00 O ATOM 1036 NE2 GLN B 68 9.336 11.203 8.070 1.00 0.00 N ATOM 0 H GLN B 68 6.211 9.940 5.677 1.00 0.00 H new ATOM 0 HA GLN B 68 6.811 12.601 6.748 1.00 0.00 H new ATOM 0 HB2 GLN B 68 7.531 11.276 4.097 1.00 0.00 H new ATOM 0 HB3 GLN B 68 8.167 12.796 4.693 1.00 0.00 H new ATOM 0 HG2 GLN B 68 8.585 10.087 6.004 1.00 0.00 H new ATOM 0 HG3 GLN B 68 9.751 10.911 4.988 1.00 0.00 H new ATOM 0 HE21 GLN B 68 8.903 10.281 8.119 1.00 0.00 H new ATOM 0 HE22 GLN B 68 9.669 11.656 8.921 1.00 0.00 H new ATOM 1045 N TYR B 69 4.721 11.967 4.296 1.00 0.00 N ATOM 1046 CA TYR B 69 3.655 12.547 3.478 1.00 0.00 C ATOM 1047 C TYR B 69 2.420 12.866 4.308 1.00 0.00 C ATOM 1048 O TYR B 69 1.556 13.631 3.886 1.00 0.00 O ATOM 1049 CB TYR B 69 3.290 11.587 2.358 1.00 0.00 C ATOM 1050 CG TYR B 69 4.501 11.139 1.591 1.00 0.00 C ATOM 1051 CD1 TYR B 69 5.291 12.055 0.915 1.00 0.00 C ATOM 1052 CD2 TYR B 69 4.883 9.813 1.592 1.00 0.00 C ATOM 1053 CE1 TYR B 69 6.428 11.658 0.261 1.00 0.00 C ATOM 1054 CE2 TYR B 69 6.017 9.401 0.934 1.00 0.00 C ATOM 1055 CZ TYR B 69 6.793 10.330 0.270 1.00 0.00 C ATOM 1056 OH TYR B 69 7.938 9.939 -0.370 1.00 0.00 O ATOM 0 H TYR B 69 4.825 10.957 4.198 1.00 0.00 H new ATOM 0 HA TYR B 69 4.025 13.483 3.058 1.00 0.00 H new ATOM 0 HB2 TYR B 69 2.782 10.718 2.775 1.00 0.00 H new ATOM 0 HB3 TYR B 69 2.588 12.071 1.679 1.00 0.00 H new ATOM 0 HD1 TYR B 69 5.007 13.097 0.903 1.00 0.00 H new ATOM 0 HD2 TYR B 69 4.281 9.087 2.118 1.00 0.00 H new ATOM 0 HE1 TYR B 69 7.035 12.384 -0.259 1.00 0.00 H new ATOM 0 HE2 TYR B 69 6.299 8.358 0.936 1.00 0.00 H new ATOM 0 HH TYR B 69 8.666 10.555 -0.144 1.00 0.00 H new ATOM 1066 N LYS B 70 2.342 12.250 5.475 1.00 0.00 N ATOM 1067 CA LYS B 70 1.217 12.431 6.385 1.00 0.00 C ATOM 1068 C LYS B 70 1.075 13.899 6.767 1.00 0.00 C ATOM 1069 O LYS B 70 -0.012 14.465 6.680 1.00 0.00 O ATOM 1070 CB LYS B 70 1.406 11.568 7.642 1.00 0.00 C ATOM 1071 CG LYS B 70 0.106 11.072 8.266 1.00 0.00 C ATOM 1072 CD LYS B 70 -0.771 12.216 8.742 1.00 0.00 C ATOM 1073 CE LYS B 70 -2.151 11.734 9.142 1.00 0.00 C ATOM 1074 NZ LYS B 70 -3.089 12.869 9.325 1.00 0.00 N ATOM 0 H LYS B 70 3.056 11.609 5.821 1.00 0.00 H new ATOM 0 HA LYS B 70 0.305 12.115 5.879 1.00 0.00 H new ATOM 0 HB2 LYS B 70 2.024 10.707 7.387 1.00 0.00 H new ATOM 0 HB3 LYS B 70 1.955 12.146 8.386 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -0.441 10.475 7.536 1.00 0.00 H new ATOM 0 HG3 LYS B 70 0.335 10.417 9.107 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -0.297 12.709 9.591 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -0.860 12.960 7.950 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -2.538 11.060 8.378 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -2.084 11.162 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -3.994 12.515 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -2.682 13.551 9.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -3.249 13.338 8.411 1.00 0.00 H new ATOM 1088 N LYS B 71 2.171 14.530 7.173 1.00 0.00 N ATOM 1089 CA LYS B 71 2.106 15.940 7.540 1.00 0.00 C ATOM 1090 C LYS B 71 2.355 16.820 6.316 1.00 0.00 C ATOM 1091 O LYS B 71 3.034 17.845 6.377 1.00 0.00 O ATOM 1092 CB LYS B 71 3.073 16.277 8.680 1.00 0.00 C ATOM 1093 CG LYS B 71 4.544 16.208 8.318 1.00 0.00 C ATOM 1094 CD LYS B 71 5.073 14.783 8.282 1.00 0.00 C ATOM 1095 CE LYS B 71 6.545 14.733 7.885 1.00 0.00 C ATOM 1096 NZ LYS B 71 7.405 15.569 8.767 1.00 0.00 N ATOM 0 H LYS B 71 3.093 14.102 7.255 1.00 0.00 H new ATOM 0 HA LYS B 71 1.101 16.145 7.910 1.00 0.00 H new ATOM 0 HB2 LYS B 71 2.850 17.282 9.040 1.00 0.00 H new ATOM 0 HB3 LYS B 71 2.886 15.593 9.508 1.00 0.00 H new ATOM 0 HG2 LYS B 71 4.696 16.673 7.344 1.00 0.00 H new ATOM 0 HG3 LYS B 71 5.119 16.787 9.041 1.00 0.00 H new ATOM 0 HD2 LYS B 71 4.945 14.323 9.262 1.00 0.00 H new ATOM 0 HD3 LYS B 71 4.486 14.196 7.576 1.00 0.00 H new ATOM 0 HE2 LYS B 71 6.892 13.700 7.919 1.00 0.00 H new ATOM 0 HE3 LYS B 71 6.651 15.071 6.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 8.406 15.370 8.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 7.209 16.575 8.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 7.202 15.346 9.762 1.00 0.00 H new ATOM 1110 N VAL B 72 1.796 16.390 5.202 1.00 0.00 N ATOM 1111 CA VAL B 72 1.930 17.087 3.932 1.00 0.00 C ATOM 1112 C VAL B 72 0.549 17.386 3.327 1.00 0.00 C ATOM 1113 O VAL B 72 0.430 18.125 2.360 1.00 0.00 O ATOM 1114 CB VAL B 72 2.790 16.221 2.971 1.00 0.00 C ATOM 1115 CG1 VAL B 72 2.779 16.731 1.548 1.00 0.00 C ATOM 1116 CG2 VAL B 72 4.223 16.149 3.467 1.00 0.00 C ATOM 0 H VAL B 72 1.232 15.542 5.149 1.00 0.00 H new ATOM 0 HA VAL B 72 2.427 18.044 4.090 1.00 0.00 H new ATOM 0 HB VAL B 72 2.341 15.228 2.966 1.00 0.00 H new ATOM 0 HG11 VAL B 72 3.397 16.085 0.925 1.00 0.00 H new ATOM 0 HG12 VAL B 72 1.757 16.730 1.169 1.00 0.00 H new ATOM 0 HG13 VAL B 72 3.175 17.746 1.522 1.00 0.00 H new ATOM 0 HG21 VAL B 72 4.814 15.539 2.784 1.00 0.00 H new ATOM 0 HG22 VAL B 72 4.643 17.154 3.513 1.00 0.00 H new ATOM 0 HG23 VAL B 72 4.242 15.702 4.461 1.00 0.00 H new ATOM 1126 N GLU B 73 -0.499 16.811 3.911 1.00 0.00 N ATOM 1127 CA GLU B 73 -1.865 17.007 3.420 1.00 0.00 C ATOM 1128 C GLU B 73 -2.454 18.375 3.795 1.00 0.00 C ATOM 1129 O GLU B 73 -3.259 18.938 3.051 1.00 0.00 O ATOM 1130 CB GLU B 73 -2.763 15.898 3.973 1.00 0.00 C ATOM 1131 CG GLU B 73 -2.664 15.720 5.483 1.00 0.00 C ATOM 1132 CD GLU B 73 -3.594 14.647 6.002 1.00 0.00 C ATOM 1133 OE1 GLU B 73 -4.810 14.753 5.765 1.00 0.00 O ATOM 1134 OE2 GLU B 73 -3.111 13.703 6.655 1.00 0.00 O ATOM 0 H GLU B 73 -0.430 16.203 4.727 1.00 0.00 H new ATOM 0 HA GLU B 73 -1.821 16.970 2.332 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -3.798 16.117 3.710 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -2.503 14.957 3.488 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -1.638 15.467 5.749 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -2.896 16.666 5.973 1.00 0.00 H new ATOM 1141 N LEU B 74 -2.087 18.874 4.966 1.00 0.00 N ATOM 1142 CA LEU B 74 -2.610 20.147 5.482 1.00 0.00 C ATOM 1143 C LEU B 74 -2.187 21.348 4.643 1.00 0.00 C ATOM 1144 O LEU B 74 -2.978 21.942 3.914 1.00 0.00 O ATOM 1145 CB LEU B 74 -2.107 20.411 6.914 1.00 0.00 C ATOM 1146 CG LEU B 74 -2.093 19.232 7.891 1.00 0.00 C ATOM 1147 CD1 LEU B 74 -3.384 18.441 7.806 1.00 0.00 C ATOM 1148 CD2 LEU B 74 -0.881 18.338 7.668 1.00 0.00 C ATOM 0 H LEU B 74 -1.422 18.416 5.589 1.00 0.00 H new ATOM 0 HA LEU B 74 -3.694 20.042 5.450 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -1.092 20.803 6.846 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -2.724 21.198 7.347 1.00 0.00 H new ATOM 0 HG LEU B 74 -2.016 19.639 8.899 1.00 0.00 H new ATOM 0 HD11 LEU B 74 -3.348 17.609 8.510 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -4.225 19.089 8.053 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -3.508 18.055 6.794 1.00 0.00 H new ATOM 0 HD21 LEU B 74 -0.903 17.512 8.378 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -0.902 17.944 6.652 1.00 0.00 H new ATOM 0 HD23 LEU B 74 0.030 18.918 7.814 1.00 0.00 H new ATOM 1160 N PHE B 75 -0.930 21.705 4.842 1.00 0.00 N ATOM 1161 CA PHE B 75 -0.253 22.863 4.226 1.00 0.00 C ATOM 1162 C PHE B 75 -0.680 23.261 2.798 1.00 0.00 C ATOM 1163 O PHE B 75 -0.927 24.443 2.551 1.00 0.00 O ATOM 1164 CB PHE B 75 1.249 22.618 4.288 1.00 0.00 C ATOM 1165 CG PHE B 75 1.691 22.243 5.668 1.00 0.00 C ATOM 1166 CD1 PHE B 75 1.625 23.163 6.705 1.00 0.00 C ATOM 1167 CD2 PHE B 75 2.140 20.966 5.940 1.00 0.00 C ATOM 1168 CE1 PHE B 75 2.000 22.808 7.987 1.00 0.00 C ATOM 1169 CE2 PHE B 75 2.518 20.609 7.218 1.00 0.00 C ATOM 1170 CZ PHE B 75 2.451 21.528 8.241 1.00 0.00 C ATOM 0 H PHE B 75 -0.315 21.180 5.463 1.00 0.00 H new ATOM 0 HA PHE B 75 -0.568 23.726 4.813 1.00 0.00 H new ATOM 0 HB2 PHE B 75 1.517 21.824 3.591 1.00 0.00 H new ATOM 0 HB3 PHE B 75 1.778 23.516 3.968 1.00 0.00 H new ATOM 0 HD1 PHE B 75 1.277 24.166 6.508 1.00 0.00 H new ATOM 0 HD2 PHE B 75 2.196 20.239 5.144 1.00 0.00 H new ATOM 0 HE1 PHE B 75 1.940 23.530 8.788 1.00 0.00 H new ATOM 0 HE2 PHE B 75 2.867 19.606 7.416 1.00 0.00 H new ATOM 0 HZ PHE B 75 2.751 21.248 9.240 1.00 0.00 H new ATOM 1180 N PRO B 76 -0.738 22.333 1.824 1.00 0.00 N ATOM 1181 CA PRO B 76 -1.093 22.673 0.436 1.00 0.00 C ATOM 1182 C PRO B 76 -2.578 22.924 0.211 1.00 0.00 C ATOM 1183 O PRO B 76 -3.055 22.895 -0.925 1.00 0.00 O ATOM 1184 CB PRO B 76 -0.642 21.453 -0.354 1.00 0.00 C ATOM 1185 CG PRO B 76 -0.737 20.335 0.618 1.00 0.00 C ATOM 1186 CD PRO B 76 -0.421 20.911 1.970 1.00 0.00 C ATOM 0 HA PRO B 76 -0.621 23.609 0.138 1.00 0.00 H new ATOM 0 HB2 PRO B 76 -1.280 21.282 -1.221 1.00 0.00 H new ATOM 0 HB3 PRO B 76 0.376 21.573 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO B 76 -1.735 19.897 0.608 1.00 0.00 H new ATOM 0 HG3 PRO B 76 -0.037 19.540 0.363 1.00 0.00 H new ATOM 0 HD2 PRO B 76 -1.019 20.446 2.753 1.00 0.00 H new ATOM 0 HD3 PRO B 76 0.625 20.759 2.235 1.00 0.00 H new ATOM 1194 N ASN B 77 -3.298 23.198 1.278 1.00 0.00 N ATOM 1195 CA ASN B 77 -4.713 23.488 1.161 1.00 0.00 C ATOM 1196 C ASN B 77 -4.922 24.989 1.313 1.00 0.00 C ATOM 1197 O ASN B 77 -4.828 25.530 2.418 1.00 0.00 O ATOM 1198 CB ASN B 77 -5.533 22.722 2.203 1.00 0.00 C ATOM 1199 CG ASN B 77 -7.024 22.906 2.007 1.00 0.00 C ATOM 1200 OD1 ASN B 77 -7.574 22.563 0.959 1.00 0.00 O ATOM 1201 ND2 ASN B 77 -7.686 23.455 3.013 1.00 0.00 N ATOM 0 H ASN B 77 -2.932 23.226 2.230 1.00 0.00 H new ATOM 0 HA ASN B 77 -5.059 23.163 0.180 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -5.289 21.661 2.146 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -5.255 23.060 3.201 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -8.692 23.609 2.938 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.191 23.724 3.863 1.00 0.00 H new ATOM 1208 N GLY B 78 -5.175 25.661 0.195 1.00 0.00 N ATOM 1209 CA GLY B 78 -5.363 27.100 0.208 1.00 0.00 C ATOM 1210 C GLY B 78 -6.556 27.539 1.033 1.00 0.00 C ATOM 1211 O GLY B 78 -6.512 28.579 1.688 1.00 0.00 O ATOM 0 H GLY B 78 -5.254 25.231 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -4.464 27.574 0.601 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -5.488 27.453 -0.816 1.00 0.00 H new ATOM 1215 N GLY B 79 -7.619 26.748 0.999 1.00 0.00 N ATOM 1216 CA GLY B 79 -8.810 27.084 1.749 1.00 0.00 C ATOM 1217 C GLY B 79 -9.812 27.827 0.897 1.00 0.00 C ATOM 1218 O GLY B 79 -10.560 28.671 1.389 1.00 0.00 O ATOM 0 H GLY B 79 -7.677 25.880 0.466 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -9.266 26.173 2.137 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -8.539 27.696 2.609 1.00 0.00 H new ATOM 1222 N ILE B 80 -9.814 27.515 -0.390 1.00 0.00 N ATOM 1223 CA ILE B 80 -10.714 28.149 -1.338 1.00 0.00 C ATOM 1224 C ILE B 80 -11.499 27.082 -2.099 1.00 0.00 C ATOM 1225 O ILE B 80 -10.937 25.997 -2.343 1.00 0.00 O ATOM 1226 CB ILE B 80 -9.917 29.076 -2.307 1.00 0.00 C ATOM 1227 CG1 ILE B 80 -10.850 29.879 -3.233 1.00 0.00 C ATOM 1228 CG2 ILE B 80 -8.905 28.271 -3.120 1.00 0.00 C ATOM 1229 CD1 ILE B 80 -11.236 29.172 -4.517 1.00 0.00 C ATOM 1230 OXT ILE B 80 -12.682 27.317 -2.410 1.00 0.00 O ATOM 0 H ILE B 80 -9.195 26.818 -0.804 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.426 28.774 -0.799 1.00 0.00 H new ATOM 0 HB ILE B 80 -9.373 29.794 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -11.759 30.126 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -10.364 30.821 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -8.362 28.939 -3.788 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.202 27.782 -2.445 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -9.428 27.517 -3.708 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -11.893 29.815 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -10.338 28.949 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -11.754 28.243 -4.279 1.00 0.00 H new TER 1242 ILE B 80 ATOM 1243 N GLY C 81 -8.578 -28.070 -1.551 1.00 0.00 N ATOM 1244 CA GLY C 81 -7.698 -29.117 -2.129 1.00 0.00 C ATOM 1245 C GLY C 81 -6.380 -28.551 -2.607 1.00 0.00 C ATOM 1246 O GLY C 81 -5.563 -28.108 -1.798 1.00 0.00 O ATOM 0 HA2 GLY C 81 -7.511 -29.887 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY C 81 -8.208 -29.600 -2.962 1.00 0.00 H new ATOM 1252 N LEU C 82 -6.173 -28.556 -3.916 1.00 0.00 N ATOM 1253 CA LEU C 82 -4.948 -28.025 -4.506 1.00 0.00 C ATOM 1254 C LEU C 82 -5.258 -26.816 -5.400 1.00 0.00 C ATOM 1255 O LEU C 82 -4.677 -25.752 -5.202 1.00 0.00 O ATOM 1256 CB LEU C 82 -4.203 -29.110 -5.294 1.00 0.00 C ATOM 1257 CG LEU C 82 -3.730 -30.314 -4.470 1.00 0.00 C ATOM 1258 CD1 LEU C 82 -3.137 -31.379 -5.377 1.00 0.00 C ATOM 1259 CD2 LEU C 82 -2.719 -29.878 -3.420 1.00 0.00 C ATOM 0 H LEU C 82 -6.840 -28.923 -4.595 1.00 0.00 H new ATOM 0 HA LEU C 82 -4.298 -27.693 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -4.855 -29.470 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.336 -28.656 -5.773 1.00 0.00 H new ATOM 0 HG LEU C 82 -4.592 -30.742 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -2.806 -32.226 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -3.892 -31.712 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.286 -30.964 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -2.395 -30.745 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.857 -29.425 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -3.180 -29.151 -2.751 1.00 0.00 H new ATOM 1271 N PRO C 83 -6.148 -26.963 -6.420 1.00 0.00 N ATOM 1272 CA PRO C 83 -6.491 -25.878 -7.333 1.00 0.00 C ATOM 1273 C PRO C 83 -6.761 -24.551 -6.617 1.00 0.00 C ATOM 1274 O PRO C 83 -6.263 -23.506 -7.023 1.00 0.00 O ATOM 1275 CB PRO C 83 -7.780 -26.349 -8.003 1.00 0.00 C ATOM 1276 CG PRO C 83 -7.781 -27.832 -7.901 1.00 0.00 C ATOM 1277 CD PRO C 83 -6.828 -28.209 -6.795 1.00 0.00 C ATOM 0 HA PRO C 83 -5.667 -25.683 -8.020 1.00 0.00 H new ATOM 0 HB2 PRO C 83 -8.654 -25.924 -7.509 1.00 0.00 H new ATOM 0 HB3 PRO C 83 -7.817 -26.030 -9.045 1.00 0.00 H new ATOM 0 HG2 PRO C 83 -8.784 -28.201 -7.686 1.00 0.00 H new ATOM 0 HG3 PRO C 83 -7.471 -28.282 -8.844 1.00 0.00 H new ATOM 0 HD2 PRO C 83 -7.362 -28.635 -5.946 1.00 0.00 H new ATOM 0 HD3 PRO C 83 -6.113 -28.960 -7.132 1.00 0.00 H new ATOM 1285 N ASP C 84 -7.558 -24.616 -5.547 1.00 0.00 N ATOM 1286 CA ASP C 84 -7.918 -23.438 -4.749 1.00 0.00 C ATOM 1287 C ASP C 84 -6.701 -22.807 -4.090 1.00 0.00 C ATOM 1288 O ASP C 84 -6.666 -21.596 -3.878 1.00 0.00 O ATOM 1289 CB ASP C 84 -8.971 -23.798 -3.689 1.00 0.00 C ATOM 1290 CG ASP C 84 -8.603 -25.026 -2.879 1.00 0.00 C ATOM 1291 OD1 ASP C 84 -8.464 -26.114 -3.469 1.00 0.00 O ATOM 1292 OD2 ASP C 84 -8.471 -24.906 -1.647 1.00 0.00 O ATOM 0 H ASP C 84 -7.972 -25.485 -5.209 1.00 0.00 H new ATOM 0 HA ASP C 84 -8.343 -22.704 -5.433 1.00 0.00 H new ATOM 0 HB2 ASP C 84 -9.104 -22.952 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP C 84 -9.929 -23.968 -4.180 1.00 0.00 H new ATOM 1297 N VAL C 85 -5.703 -23.621 -3.793 1.00 0.00 N ATOM 1298 CA VAL C 85 -4.477 -23.131 -3.190 1.00 0.00 C ATOM 1299 C VAL C 85 -3.729 -22.265 -4.200 1.00 0.00 C ATOM 1300 O VAL C 85 -3.314 -21.145 -3.893 1.00 0.00 O ATOM 1301 CB VAL C 85 -3.583 -24.299 -2.714 1.00 0.00 C ATOM 1302 CG1 VAL C 85 -2.360 -23.785 -1.978 1.00 0.00 C ATOM 1303 CG2 VAL C 85 -4.374 -25.239 -1.819 1.00 0.00 C ATOM 0 H VAL C 85 -5.718 -24.627 -3.960 1.00 0.00 H new ATOM 0 HA VAL C 85 -4.731 -22.533 -2.315 1.00 0.00 H new ATOM 0 HB VAL C 85 -3.247 -24.846 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -1.749 -24.628 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -1.777 -23.148 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -2.674 -23.210 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -3.731 -26.056 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -4.738 -24.693 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -5.221 -25.643 -2.374 1.00 0.00 H new ATOM 1313 N ALA C 86 -3.590 -22.775 -5.423 1.00 0.00 N ATOM 1314 CA ALA C 86 -2.921 -22.031 -6.485 1.00 0.00 C ATOM 1315 C ALA C 86 -3.796 -20.880 -6.959 1.00 0.00 C ATOM 1316 O ALA C 86 -3.301 -19.860 -7.430 1.00 0.00 O ATOM 1317 CB ALA C 86 -2.561 -22.946 -7.639 1.00 0.00 C ATOM 0 H ALA C 86 -3.930 -23.696 -5.700 1.00 0.00 H new ATOM 0 HA ALA C 86 -1.996 -21.616 -6.084 1.00 0.00 H new ATOM 0 HB1 ALA C 86 -2.063 -22.370 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA C 86 -1.893 -23.731 -7.286 1.00 0.00 H new ATOM 0 HB3 ALA C 86 -3.468 -23.396 -8.043 1.00 0.00 H new ATOM 1323 N SER C 87 -5.102 -21.033 -6.796 1.00 0.00 N ATOM 1324 CA SER C 87 -6.035 -19.986 -7.169 1.00 0.00 C ATOM 1325 C SER C 87 -5.905 -18.824 -6.198 1.00 0.00 C ATOM 1326 O SER C 87 -6.329 -17.704 -6.466 1.00 0.00 O ATOM 1327 CB SER C 87 -7.471 -20.508 -7.157 1.00 0.00 C ATOM 1328 OG SER C 87 -7.673 -21.520 -8.133 1.00 0.00 O ATOM 0 H SER C 87 -5.536 -21.871 -6.409 1.00 0.00 H new ATOM 0 HA SER C 87 -5.799 -19.652 -8.179 1.00 0.00 H new ATOM 0 HB2 SER C 87 -7.705 -20.904 -6.169 1.00 0.00 H new ATOM 0 HB3 SER C 87 -8.159 -19.683 -7.341 1.00 0.00 H new ATOM 0 HG SER C 87 -7.004 -22.226 -8.015 1.00 0.00 H new ATOM 1334 N LEU C 88 -5.305 -19.085 -5.059 1.00 0.00 N ATOM 1335 CA LEU C 88 -5.137 -18.041 -4.092 1.00 0.00 C ATOM 1336 C LEU C 88 -3.967 -17.149 -4.465 1.00 0.00 C ATOM 1337 O LEU C 88 -3.927 -15.989 -4.073 1.00 0.00 O ATOM 1338 CB LEU C 88 -4.968 -18.621 -2.679 1.00 0.00 C ATOM 1339 CG LEU C 88 -4.636 -17.602 -1.585 1.00 0.00 C ATOM 1340 CD1 LEU C 88 -5.795 -16.638 -1.364 1.00 0.00 C ATOM 1341 CD2 LEU C 88 -4.267 -18.309 -0.291 1.00 0.00 C ATOM 0 H LEU C 88 -4.934 -19.996 -4.788 1.00 0.00 H new ATOM 0 HA LEU C 88 -6.039 -17.429 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU C 88 -5.888 -19.137 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU C 88 -4.178 -19.371 -2.705 1.00 0.00 H new ATOM 0 HG LEU C 88 -3.776 -17.019 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU C 88 -5.532 -15.926 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU C 88 -6.003 -16.101 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU C 88 -6.681 -17.197 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU C 88 -4.034 -17.569 0.474 1.00 0.00 H new ATOM 0 HD22 LEU C 88 -5.105 -18.922 0.040 1.00 0.00 H new ATOM 0 HD23 LEU C 88 -3.397 -18.944 -0.458 1.00 0.00 H new ATOM 1353 N ARG C 89 -3.035 -17.670 -5.257 1.00 0.00 N ATOM 1354 CA ARG C 89 -1.888 -16.868 -5.694 1.00 0.00 C ATOM 1355 C ARG C 89 -2.367 -15.803 -6.670 1.00 0.00 C ATOM 1356 O ARG C 89 -1.635 -14.866 -6.993 1.00 0.00 O ATOM 1357 CB ARG C 89 -0.806 -17.716 -6.390 1.00 0.00 C ATOM 1358 CG ARG C 89 -0.802 -19.204 -6.067 1.00 0.00 C ATOM 1359 CD ARG C 89 -0.730 -19.495 -4.576 1.00 0.00 C ATOM 1360 NE ARG C 89 0.082 -20.671 -4.265 1.00 0.00 N ATOM 1361 CZ ARG C 89 1.410 -20.738 -4.411 1.00 0.00 C ATOM 1362 NH1 ARG C 89 2.092 -19.718 -4.922 1.00 0.00 N ATOM 1363 NH2 ARG C 89 2.052 -21.839 -4.059 1.00 0.00 N ATOM 0 H ARG C 89 -3.046 -18.628 -5.607 1.00 0.00 H new ATOM 0 HA ARG C 89 -1.446 -16.422 -4.803 1.00 0.00 H new ATOM 0 HB2 ARG C 89 -0.922 -17.600 -7.468 1.00 0.00 H new ATOM 0 HB3 ARG C 89 0.170 -17.307 -6.129 1.00 0.00 H new ATOM 0 HG2 ARG C 89 -1.703 -19.660 -6.476 1.00 0.00 H new ATOM 0 HG3 ARG C 89 0.047 -19.674 -6.563 1.00 0.00 H new ATOM 0 HD2 ARG C 89 -0.317 -18.628 -4.061 1.00 0.00 H new ATOM 0 HD3 ARG C 89 -1.739 -19.644 -4.191 1.00 0.00 H new ATOM 0 HE ARG C 89 -0.398 -21.499 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG C 89 1.603 -18.870 -5.209 1.00 0.00 H new ATOM 0 HH12 ARG C 89 3.104 -19.783 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG C 89 1.535 -22.631 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG C 89 3.065 -21.896 -4.168 1.00 0.00 H new ATOM 1377 N GLN C 90 -3.602 -15.957 -7.128 1.00 0.00 N ATOM 1378 CA GLN C 90 -4.201 -15.020 -8.061 1.00 0.00 C ATOM 1379 C GLN C 90 -4.725 -13.829 -7.290 1.00 0.00 C ATOM 1380 O GLN C 90 -4.611 -12.686 -7.728 1.00 0.00 O ATOM 1381 CB GLN C 90 -5.318 -15.734 -8.799 1.00 0.00 C ATOM 1382 CG GLN C 90 -5.050 -17.221 -8.894 1.00 0.00 C ATOM 1383 CD GLN C 90 -4.478 -17.650 -10.229 1.00 0.00 C ATOM 1384 OE1 GLN C 90 -5.046 -17.380 -11.284 1.00 0.00 O ATOM 1385 NE2 GLN C 90 -3.330 -18.319 -10.181 1.00 0.00 N ATOM 0 H GLN C 90 -4.211 -16.731 -6.864 1.00 0.00 H new ATOM 0 HA GLN C 90 -3.471 -14.662 -8.787 1.00 0.00 H new ATOM 0 HB2 GLN C 90 -6.264 -15.565 -8.284 1.00 0.00 H new ATOM 0 HB3 GLN C 90 -5.421 -15.316 -9.800 1.00 0.00 H new ATOM 0 HG2 GLN C 90 -4.358 -17.508 -8.102 1.00 0.00 H new ATOM 0 HG3 GLN C 90 -5.980 -17.761 -8.716 1.00 0.00 H new ATOM 0 HE21 GLN C 90 -2.894 -18.521 -9.281 1.00 0.00 H new ATOM 0 HE22 GLN C 90 -2.885 -18.631 -11.044 1.00 0.00 H new ATOM 1394 N GLN C 91 -5.262 -14.117 -6.109 1.00 0.00 N ATOM 1395 CA GLN C 91 -5.765 -13.084 -5.229 1.00 0.00 C ATOM 1396 C GLN C 91 -4.586 -12.369 -4.583 1.00 0.00 C ATOM 1397 O GLN C 91 -4.687 -11.194 -4.228 1.00 0.00 O ATOM 1398 CB GLN C 91 -6.682 -13.683 -4.152 1.00 0.00 C ATOM 1399 CG GLN C 91 -7.337 -12.648 -3.242 1.00 0.00 C ATOM 1400 CD GLN C 91 -8.401 -11.809 -3.931 1.00 0.00 C ATOM 1401 OE1 GLN C 91 -8.754 -12.164 -5.160 1.00 0.00 O flip ATOM 1402 NE2 GLN C 91 -8.919 -10.855 -3.351 1.00 0.00 N flip ATOM 0 H GLN C 91 -5.357 -15.064 -5.743 1.00 0.00 H new ATOM 0 HA GLN C 91 -6.353 -12.373 -5.809 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -7.462 -14.268 -4.639 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -6.102 -14.373 -3.540 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -7.786 -13.159 -2.391 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -6.566 -11.987 -2.846 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -8.623 -10.611 -2.406 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -9.645 -10.309 -3.815 1.00 0.00 H new ATOM 1411 N VAL C 92 -3.453 -13.067 -4.441 1.00 0.00 N ATOM 1412 CA VAL C 92 -2.292 -12.428 -3.849 1.00 0.00 C ATOM 1413 C VAL C 92 -1.652 -11.486 -4.867 1.00 0.00 C ATOM 1414 O VAL C 92 -1.222 -10.389 -4.517 1.00 0.00 O ATOM 1415 CB VAL C 92 -1.227 -13.392 -3.239 1.00 0.00 C ATOM 1416 CG1 VAL C 92 -1.847 -14.580 -2.532 1.00 0.00 C ATOM 1417 CG2 VAL C 92 -0.122 -13.787 -4.197 1.00 0.00 C ATOM 0 H VAL C 92 -3.324 -14.040 -4.719 1.00 0.00 H new ATOM 0 HA VAL C 92 -2.671 -11.874 -2.990 1.00 0.00 H new ATOM 0 HB VAL C 92 -0.727 -12.802 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL C 92 -1.059 -15.215 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL C 92 -2.482 -14.229 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL C 92 -2.447 -15.152 -3.240 1.00 0.00 H new ATOM 0 HG21 VAL C 92 0.574 -14.457 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL C 92 -0.553 -14.294 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL C 92 0.409 -12.894 -4.528 1.00 0.00 H new ATOM 1427 N GLU C 93 -1.635 -11.903 -6.134 1.00 0.00 N ATOM 1428 CA GLU C 93 -1.094 -11.065 -7.201 1.00 0.00 C ATOM 1429 C GLU C 93 -2.022 -9.871 -7.388 1.00 0.00 C ATOM 1430 O GLU C 93 -1.606 -8.784 -7.785 1.00 0.00 O ATOM 1431 CB GLU C 93 -0.964 -11.862 -8.503 1.00 0.00 C ATOM 1432 CG GLU C 93 -0.187 -11.141 -9.593 1.00 0.00 C ATOM 1433 CD GLU C 93 -0.042 -11.974 -10.842 1.00 0.00 C ATOM 1434 OE1 GLU C 93 0.552 -13.068 -10.760 1.00 0.00 O ATOM 1435 OE2 GLU C 93 -0.528 -11.539 -11.906 1.00 0.00 O ATOM 0 H GLU C 93 -1.987 -12.809 -6.443 1.00 0.00 H new ATOM 0 HA GLU C 93 -0.096 -10.719 -6.931 1.00 0.00 H new ATOM 0 HB2 GLU C 93 -0.474 -12.812 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU C 93 -1.961 -12.095 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU C 93 -0.693 -10.207 -9.839 1.00 0.00 H new ATOM 0 HG3 GLU C 93 0.802 -10.879 -9.218 1.00 0.00 H new ATOM 1442 N ALA C 94 -3.291 -10.097 -7.058 1.00 0.00 N ATOM 1443 CA ALA C 94 -4.321 -9.073 -7.135 1.00 0.00 C ATOM 1444 C ALA C 94 -4.015 -7.949 -6.161 1.00 0.00 C ATOM 1445 O ALA C 94 -3.973 -6.777 -6.534 1.00 0.00 O ATOM 1446 CB ALA C 94 -5.666 -9.683 -6.797 1.00 0.00 C ATOM 0 H ALA C 94 -3.632 -11.000 -6.729 1.00 0.00 H new ATOM 0 HA ALA C 94 -4.345 -8.669 -8.147 1.00 0.00 H new ATOM 0 HB1 ALA C 94 -6.438 -8.916 -6.855 1.00 0.00 H new ATOM 0 HB2 ALA C 94 -5.893 -10.480 -7.505 1.00 0.00 H new ATOM 0 HB3 ALA C 94 -5.636 -10.093 -5.787 1.00 0.00 H new ATOM 1452 N LEU C 95 -3.791 -8.330 -4.906 1.00 0.00 N ATOM 1453 CA LEU C 95 -3.472 -7.378 -3.851 1.00 0.00 C ATOM 1454 C LEU C 95 -2.176 -6.655 -4.186 1.00 0.00 C ATOM 1455 O LEU C 95 -2.000 -5.470 -3.888 1.00 0.00 O ATOM 1456 CB LEU C 95 -3.336 -8.115 -2.521 1.00 0.00 C ATOM 1457 CG LEU C 95 -3.557 -7.262 -1.278 1.00 0.00 C ATOM 1458 CD1 LEU C 95 -4.977 -6.724 -1.254 1.00 0.00 C ATOM 1459 CD2 LEU C 95 -3.277 -8.064 -0.024 1.00 0.00 C ATOM 0 H LEU C 95 -3.826 -9.301 -4.595 1.00 0.00 H new ATOM 0 HA LEU C 95 -4.274 -6.644 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU C 95 -4.049 -8.940 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU C 95 -2.340 -8.554 -2.468 1.00 0.00 H new ATOM 0 HG LEU C 95 -2.865 -6.421 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU C 95 -5.121 -6.116 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU C 95 -5.150 -6.113 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU C 95 -5.681 -7.556 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU C 95 -3.440 -7.437 0.853 1.00 0.00 H new ATOM 0 HD22 LEU C 95 -3.946 -8.924 0.015 1.00 0.00 H new ATOM 0 HD23 LEU C 95 -2.243 -8.409 -0.036 1.00 0.00 H new ATOM 1471 N GLN C 96 -1.286 -7.389 -4.842 1.00 0.00 N ATOM 1472 CA GLN C 96 0.002 -6.861 -5.277 1.00 0.00 C ATOM 1473 C GLN C 96 -0.198 -5.745 -6.293 1.00 0.00 C ATOM 1474 O GLN C 96 0.542 -4.771 -6.305 1.00 0.00 O ATOM 1475 CB GLN C 96 0.839 -7.998 -5.872 1.00 0.00 C ATOM 1476 CG GLN C 96 1.869 -7.545 -6.885 1.00 0.00 C ATOM 1477 CD GLN C 96 2.900 -8.615 -7.178 1.00 0.00 C ATOM 1478 OE1 GLN C 96 3.626 -9.056 -6.287 1.00 0.00 O ATOM 1479 NE2 GLN C 96 2.960 -9.046 -8.427 1.00 0.00 N ATOM 0 H GLN C 96 -1.436 -8.367 -5.088 1.00 0.00 H new ATOM 0 HA GLN C 96 0.531 -6.442 -4.421 1.00 0.00 H new ATOM 0 HB2 GLN C 96 1.348 -8.522 -5.063 1.00 0.00 H new ATOM 0 HB3 GLN C 96 0.171 -8.717 -6.346 1.00 0.00 H new ATOM 0 HG2 GLN C 96 1.366 -7.266 -7.811 1.00 0.00 H new ATOM 0 HG3 GLN C 96 2.372 -6.652 -6.514 1.00 0.00 H new ATOM 0 HE21 GLN C 96 2.338 -8.652 -9.133 1.00 0.00 H new ATOM 0 HE22 GLN C 96 3.628 -9.773 -8.684 1.00 0.00 H new ATOM 1488 N GLY C 97 -1.210 -5.885 -7.131 1.00 0.00 N ATOM 1489 CA GLY C 97 -1.503 -4.867 -8.124 1.00 0.00 C ATOM 1490 C GLY C 97 -1.844 -3.536 -7.481 1.00 0.00 C ATOM 1491 O GLY C 97 -1.556 -2.466 -8.027 1.00 0.00 O ATOM 0 H GLY C 97 -1.839 -6.688 -7.144 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -0.643 -4.743 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -2.336 -5.195 -8.746 1.00 0.00 H new ATOM 1495 N GLN C 98 -2.449 -3.603 -6.303 1.00 0.00 N ATOM 1496 CA GLN C 98 -2.823 -2.402 -5.581 1.00 0.00 C ATOM 1497 C GLN C 98 -1.602 -1.725 -4.971 1.00 0.00 C ATOM 1498 O GLN C 98 -1.424 -0.518 -5.086 1.00 0.00 O ATOM 1499 CB GLN C 98 -3.839 -2.716 -4.482 1.00 0.00 C ATOM 1500 CG GLN C 98 -5.084 -3.425 -4.980 1.00 0.00 C ATOM 1501 CD GLN C 98 -6.178 -3.505 -3.934 1.00 0.00 C ATOM 1502 OE1 GLN C 98 -5.971 -4.023 -2.837 1.00 0.00 O ATOM 1503 NE2 GLN C 98 -7.351 -2.987 -4.263 1.00 0.00 N ATOM 0 H GLN C 98 -2.689 -4.475 -5.831 1.00 0.00 H new ATOM 0 HA GLN C 98 -3.280 -1.721 -6.299 1.00 0.00 H new ATOM 0 HB2 GLN C 98 -3.359 -3.335 -3.723 1.00 0.00 H new ATOM 0 HB3 GLN C 98 -4.133 -1.786 -3.996 1.00 0.00 H new ATOM 0 HG2 GLN C 98 -5.466 -2.904 -5.858 1.00 0.00 H new ATOM 0 HG3 GLN C 98 -4.819 -4.433 -5.298 1.00 0.00 H new ATOM 0 HE21 GLN C 98 -7.483 -2.566 -5.183 1.00 0.00 H new ATOM 0 HE22 GLN C 98 -8.123 -3.009 -3.597 1.00 0.00 H new ATOM 1512 N VAL C 99 -0.764 -2.496 -4.315 1.00 0.00 N ATOM 1513 CA VAL C 99 0.419 -1.938 -3.687 1.00 0.00 C ATOM 1514 C VAL C 99 1.412 -1.403 -4.720 1.00 0.00 C ATOM 1515 O VAL C 99 2.062 -0.378 -4.495 1.00 0.00 O ATOM 1516 CB VAL C 99 1.081 -2.982 -2.752 1.00 0.00 C ATOM 1517 CG1 VAL C 99 1.431 -4.252 -3.497 1.00 0.00 C ATOM 1518 CG2 VAL C 99 2.310 -2.425 -2.072 1.00 0.00 C ATOM 0 H VAL C 99 -0.875 -3.504 -4.201 1.00 0.00 H new ATOM 0 HA VAL C 99 0.106 -1.088 -3.081 1.00 0.00 H new ATOM 0 HB VAL C 99 0.346 -3.224 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL C 99 1.893 -4.961 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL C 99 0.525 -4.690 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL C 99 2.128 -4.021 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL C 99 2.745 -3.187 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL C 99 3.040 -2.129 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL C 99 2.033 -1.557 -1.474 1.00 0.00 H new ATOM 1528 N GLN C 100 1.512 -2.074 -5.862 1.00 0.00 N ATOM 1529 CA GLN C 100 2.417 -1.632 -6.916 1.00 0.00 C ATOM 1530 C GLN C 100 1.967 -0.300 -7.496 1.00 0.00 C ATOM 1531 O GLN C 100 2.787 0.593 -7.702 1.00 0.00 O ATOM 1532 CB GLN C 100 2.549 -2.668 -8.036 1.00 0.00 C ATOM 1533 CG GLN C 100 1.245 -3.038 -8.715 1.00 0.00 C ATOM 1534 CD GLN C 100 1.457 -3.956 -9.901 1.00 0.00 C ATOM 1535 OE1 GLN C 100 1.975 -5.063 -9.751 1.00 0.00 O ATOM 1536 NE2 GLN C 100 1.062 -3.516 -11.085 1.00 0.00 N ATOM 0 H GLN C 100 0.983 -2.918 -6.080 1.00 0.00 H new ATOM 0 HA GLN C 100 3.397 -1.509 -6.456 1.00 0.00 H new ATOM 0 HB2 GLN C 100 3.238 -2.284 -8.788 1.00 0.00 H new ATOM 0 HB3 GLN C 100 2.998 -3.572 -7.625 1.00 0.00 H new ATOM 0 HG2 GLN C 100 0.588 -3.524 -7.994 1.00 0.00 H new ATOM 0 HG3 GLN C 100 0.740 -2.131 -9.046 1.00 0.00 H new ATOM 0 HE21 GLN C 100 0.637 -2.593 -11.170 1.00 0.00 H new ATOM 0 HE22 GLN C 100 1.183 -4.100 -11.912 1.00 0.00 H new ATOM 1545 N HIS C 101 0.668 -0.148 -7.760 1.00 0.00 N ATOM 1546 CA HIS C 101 0.201 1.111 -8.310 1.00 0.00 C ATOM 1547 C HIS C 101 0.155 2.176 -7.216 1.00 0.00 C ATOM 1548 O HIS C 101 0.084 3.366 -7.512 1.00 0.00 O ATOM 1549 CB HIS C 101 -1.129 0.981 -9.055 1.00 0.00 C ATOM 1550 CG HIS C 101 -2.329 1.106 -8.202 1.00 0.00 C ATOM 1551 ND1 HIS C 101 -2.722 0.128 -7.359 1.00 0.00 N ATOM 1552 CD2 HIS C 101 -3.192 2.136 -8.033 1.00 0.00 C ATOM 1553 CE1 HIS C 101 -3.782 0.561 -6.698 1.00 0.00 C ATOM 1554 NE2 HIS C 101 -4.122 1.778 -7.061 1.00 0.00 N ATOM 0 H HIS C 101 -0.050 -0.856 -7.607 1.00 0.00 H new ATOM 0 HA HIS C 101 0.919 1.428 -9.066 1.00 0.00 H new ATOM 0 HB2 HIS C 101 -1.171 1.744 -9.832 1.00 0.00 H new ATOM 0 HB3 HIS C 101 -1.156 0.014 -9.557 1.00 0.00 H new ATOM 0 HD1 HIS C 101 -2.279 -0.784 -7.251 1.00 0.00 H new ATOM 0 HD2 HIS C 101 -3.163 3.077 -8.563 1.00 0.00 H new ATOM 0 HE1 HIS C 101 -4.306 -0.016 -5.950 1.00 0.00 H new ATOM 1562 N LEU C 102 0.259 1.757 -5.952 1.00 0.00 N ATOM 1563 CA LEU C 102 0.310 2.720 -4.862 1.00 0.00 C ATOM 1564 C LEU C 102 1.676 3.375 -4.907 1.00 0.00 C ATOM 1565 O LEU C 102 1.808 4.576 -4.690 1.00 0.00 O ATOM 1566 CB LEU C 102 0.055 2.092 -3.490 1.00 0.00 C ATOM 1567 CG LEU C 102 -1.408 1.738 -3.208 1.00 0.00 C ATOM 1568 CD1 LEU C 102 -1.665 1.663 -1.713 1.00 0.00 C ATOM 1569 CD2 LEU C 102 -2.345 2.748 -3.852 1.00 0.00 C ATOM 0 H LEU C 102 0.308 0.779 -5.667 1.00 0.00 H new ATOM 0 HA LEU C 102 -0.488 3.450 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU C 102 0.656 1.187 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU C 102 0.402 2.781 -2.720 1.00 0.00 H new ATOM 0 HG LEU C 102 -1.605 0.759 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU C 102 -2.710 1.410 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU C 102 -1.027 0.897 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU C 102 -1.443 2.628 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU C 102 -3.378 2.474 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU C 102 -2.141 3.741 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU C 102 -2.188 2.754 -4.931 1.00 0.00 H new ATOM 1581 N GLN C 103 2.684 2.576 -5.270 1.00 0.00 N ATOM 1582 CA GLN C 103 4.039 3.080 -5.436 1.00 0.00 C ATOM 1583 C GLN C 103 4.059 4.017 -6.631 1.00 0.00 C ATOM 1584 O GLN C 103 4.740 5.045 -6.635 1.00 0.00 O ATOM 1585 CB GLN C 103 5.020 1.927 -5.653 1.00 0.00 C ATOM 1586 CG GLN C 103 5.394 1.199 -4.375 1.00 0.00 C ATOM 1587 CD GLN C 103 6.409 1.963 -3.549 1.00 0.00 C ATOM 1588 OE1 GLN C 103 6.198 3.124 -3.208 1.00 0.00 O ATOM 1589 NE2 GLN C 103 7.521 1.320 -3.231 1.00 0.00 N ATOM 0 H GLN C 103 2.581 1.578 -5.453 1.00 0.00 H new ATOM 0 HA GLN C 103 4.344 3.614 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN C 103 4.582 1.215 -6.352 1.00 0.00 H new ATOM 0 HB3 GLN C 103 5.926 2.315 -6.119 1.00 0.00 H new ATOM 0 HG2 GLN C 103 4.496 1.033 -3.779 1.00 0.00 H new ATOM 0 HG3 GLN C 103 5.798 0.218 -4.624 1.00 0.00 H new ATOM 0 HE21 GLN C 103 7.657 0.356 -3.534 1.00 0.00 H new ATOM 0 HE22 GLN C 103 8.242 1.789 -2.683 1.00 0.00 H new ATOM 1598 N ALA C 104 3.259 3.649 -7.632 1.00 0.00 N ATOM 1599 CA ALA C 104 3.105 4.437 -8.847 1.00 0.00 C ATOM 1600 C ALA C 104 2.660 5.841 -8.490 1.00 0.00 C ATOM 1601 O ALA C 104 3.263 6.826 -8.905 1.00 0.00 O ATOM 1602 CB ALA C 104 2.070 3.789 -9.758 1.00 0.00 C ATOM 0 H ALA C 104 2.701 2.795 -7.620 1.00 0.00 H new ATOM 0 HA ALA C 104 4.062 4.481 -9.368 1.00 0.00 H new ATOM 0 HB1 ALA C 104 1.960 4.384 -10.665 1.00 0.00 H new ATOM 0 HB2 ALA C 104 2.396 2.783 -10.021 1.00 0.00 H new ATOM 0 HB3 ALA C 104 1.112 3.736 -9.241 1.00 0.00 H new ATOM 1608 N ALA C 105 1.603 5.907 -7.691 1.00 0.00 N ATOM 1609 CA ALA C 105 1.065 7.173 -7.236 1.00 0.00 C ATOM 1610 C ALA C 105 2.107 7.928 -6.425 1.00 0.00 C ATOM 1611 O ALA C 105 2.274 9.132 -6.600 1.00 0.00 O ATOM 1612 CB ALA C 105 -0.195 6.948 -6.414 1.00 0.00 C ATOM 0 H ALA C 105 1.101 5.089 -7.345 1.00 0.00 H new ATOM 0 HA ALA C 105 0.804 7.775 -8.106 1.00 0.00 H new ATOM 0 HB1 ALA C 105 -0.587 7.908 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA C 105 -0.943 6.444 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA C 105 0.041 6.331 -5.547 1.00 0.00 H new ATOM 1618 N PHE C 106 2.820 7.210 -5.546 1.00 0.00 N ATOM 1619 CA PHE C 106 3.860 7.830 -4.722 1.00 0.00 C ATOM 1620 C PHE C 106 4.899 8.535 -5.573 1.00 0.00 C ATOM 1621 O PHE C 106 5.507 9.482 -5.119 1.00 0.00 O ATOM 1622 CB PHE C 106 4.592 6.825 -3.835 1.00 0.00 C ATOM 1623 CG PHE C 106 3.910 6.524 -2.530 1.00 0.00 C ATOM 1624 CD1 PHE C 106 3.644 7.548 -1.630 1.00 0.00 C ATOM 1625 CD2 PHE C 106 3.563 5.224 -2.184 1.00 0.00 C ATOM 1626 CE1 PHE C 106 3.049 7.279 -0.412 1.00 0.00 C ATOM 1627 CE2 PHE C 106 2.960 4.956 -0.969 1.00 0.00 C ATOM 1628 CZ PHE C 106 2.706 5.982 -0.082 1.00 0.00 C ATOM 0 H PHE C 106 2.696 6.210 -5.390 1.00 0.00 H new ATOM 0 HA PHE C 106 3.333 8.546 -4.092 1.00 0.00 H new ATOM 0 HB2 PHE C 106 4.714 5.894 -4.389 1.00 0.00 H new ATOM 0 HB3 PHE C 106 5.592 7.206 -3.627 1.00 0.00 H new ATOM 0 HD1 PHE C 106 3.905 8.565 -1.885 1.00 0.00 H new ATOM 0 HD2 PHE C 106 3.766 4.415 -2.870 1.00 0.00 H new ATOM 0 HE1 PHE C 106 2.852 8.083 0.282 1.00 0.00 H new ATOM 0 HE2 PHE C 106 2.688 3.943 -0.714 1.00 0.00 H new ATOM 0 HZ PHE C 106 2.240 5.771 0.869 1.00 0.00 H new ATOM 1638 N SER C 107 5.105 8.074 -6.807 1.00 0.00 N ATOM 1639 CA SER C 107 6.091 8.691 -7.701 1.00 0.00 C ATOM 1640 C SER C 107 5.848 10.203 -7.816 1.00 0.00 C ATOM 1641 O SER C 107 6.770 10.979 -8.072 1.00 0.00 O ATOM 1642 CB SER C 107 6.023 8.033 -9.084 1.00 0.00 C ATOM 1643 OG SER C 107 7.049 8.494 -9.947 1.00 0.00 O ATOM 0 H SER C 107 4.607 7.281 -7.210 1.00 0.00 H new ATOM 0 HA SER C 107 7.086 8.538 -7.283 1.00 0.00 H new ATOM 0 HB2 SER C 107 6.102 6.951 -8.974 1.00 0.00 H new ATOM 0 HB3 SER C 107 5.052 8.238 -9.535 1.00 0.00 H new ATOM 0 HG SER C 107 6.970 8.049 -10.816 1.00 0.00 H new ATOM 1649 N GLN C 108 4.599 10.609 -7.607 1.00 0.00 N ATOM 1650 CA GLN C 108 4.221 12.013 -7.668 1.00 0.00 C ATOM 1651 C GLN C 108 4.197 12.650 -6.281 1.00 0.00 C ATOM 1652 O GLN C 108 4.573 13.805 -6.123 1.00 0.00 O ATOM 1653 CB GLN C 108 2.848 12.155 -8.327 1.00 0.00 C ATOM 1654 CG GLN C 108 2.771 11.534 -9.716 1.00 0.00 C ATOM 1655 CD GLN C 108 3.709 12.192 -10.707 1.00 0.00 C ATOM 1656 OE1 GLN C 108 3.589 13.382 -10.996 1.00 0.00 O ATOM 1657 NE2 GLN C 108 4.648 11.420 -11.234 1.00 0.00 N ATOM 0 H GLN C 108 3.827 9.978 -7.392 1.00 0.00 H new ATOM 0 HA GLN C 108 4.970 12.534 -8.264 1.00 0.00 H new ATOM 0 HB2 GLN C 108 2.098 11.690 -7.688 1.00 0.00 H new ATOM 0 HB3 GLN C 108 2.595 13.213 -8.397 1.00 0.00 H new ATOM 0 HG2 GLN C 108 3.009 10.472 -9.648 1.00 0.00 H new ATOM 0 HG3 GLN C 108 1.748 11.609 -10.086 1.00 0.00 H new ATOM 0 HE21 GLN C 108 4.711 10.438 -10.966 1.00 0.00 H new ATOM 0 HE22 GLN C 108 5.308 11.808 -11.908 1.00 0.00 H new ATOM 1666 N TYR C 109 3.747 11.901 -5.285 1.00 0.00 N ATOM 1667 CA TYR C 109 3.665 12.411 -3.915 1.00 0.00 C ATOM 1668 C TYR C 109 5.028 12.408 -3.236 1.00 0.00 C ATOM 1669 O TYR C 109 5.236 13.084 -2.234 1.00 0.00 O ATOM 1670 CB TYR C 109 2.686 11.564 -3.113 1.00 0.00 C ATOM 1671 CG TYR C 109 1.363 11.428 -3.812 1.00 0.00 C ATOM 1672 CD1 TYR C 109 0.583 12.539 -4.091 1.00 0.00 C ATOM 1673 CD2 TYR C 109 0.923 10.192 -4.244 1.00 0.00 C ATOM 1674 CE1 TYR C 109 -0.597 12.417 -4.776 1.00 0.00 C ATOM 1675 CE2 TYR C 109 -0.263 10.059 -4.926 1.00 0.00 C ATOM 1676 CZ TYR C 109 -1.019 11.180 -5.194 1.00 0.00 C ATOM 1677 OH TYR C 109 -2.191 11.070 -5.893 1.00 0.00 O ATOM 0 H TYR C 109 3.432 10.937 -5.395 1.00 0.00 H new ATOM 0 HA TYR C 109 3.314 13.442 -3.957 1.00 0.00 H new ATOM 0 HB2 TYR C 109 3.113 10.575 -2.947 1.00 0.00 H new ATOM 0 HB3 TYR C 109 2.534 12.015 -2.132 1.00 0.00 H new ATOM 0 HD1 TYR C 109 0.910 13.515 -3.764 1.00 0.00 H new ATOM 0 HD2 TYR C 109 1.521 9.315 -4.043 1.00 0.00 H new ATOM 0 HE1 TYR C 109 -1.194 13.292 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR C 109 -0.599 9.085 -5.249 1.00 0.00 H new ATOM 0 HH TYR C 109 -2.222 11.758 -6.590 1.00 0.00 H new ATOM 1687 N LYS C 110 5.940 11.625 -3.787 1.00 0.00 N ATOM 1688 CA LYS C 110 7.287 11.489 -3.253 1.00 0.00 C ATOM 1689 C LYS C 110 7.991 12.846 -3.217 1.00 0.00 C ATOM 1690 O LYS C 110 8.567 13.222 -2.200 1.00 0.00 O ATOM 1691 CB LYS C 110 8.073 10.460 -4.090 1.00 0.00 C ATOM 1692 CG LYS C 110 9.180 9.722 -3.337 1.00 0.00 C ATOM 1693 CD LYS C 110 10.214 10.665 -2.748 1.00 0.00 C ATOM 1694 CE LYS C 110 11.141 9.944 -1.785 1.00 0.00 C ATOM 1695 NZ LYS C 110 11.945 10.904 -0.991 1.00 0.00 N ATOM 0 H LYS C 110 5.768 11.063 -4.621 1.00 0.00 H new ATOM 0 HA LYS C 110 7.235 11.126 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS C 110 7.372 9.725 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS C 110 8.515 10.972 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS C 110 8.737 9.129 -2.537 1.00 0.00 H new ATOM 0 HG3 LYS C 110 9.673 9.025 -4.015 1.00 0.00 H new ATOM 0 HD2 LYS C 110 10.799 11.113 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS C 110 9.710 11.480 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS C 110 10.555 9.315 -1.115 1.00 0.00 H new ATOM 0 HE3 LYS C 110 11.805 9.283 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS C 110 12.672 10.388 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS C 110 12.403 11.585 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS C 110 11.324 11.413 -0.330 1.00 0.00 H new ATOM 1709 N LYS C 111 7.928 13.602 -4.308 1.00 0.00 N ATOM 1710 CA LYS C 111 8.561 14.919 -4.324 1.00 0.00 C ATOM 1711 C LYS C 111 7.570 15.984 -3.862 1.00 0.00 C ATOM 1712 O LYS C 111 7.506 17.091 -4.393 1.00 0.00 O ATOM 1713 CB LYS C 111 9.139 15.258 -5.709 1.00 0.00 C ATOM 1714 CG LYS C 111 8.106 15.481 -6.805 1.00 0.00 C ATOM 1715 CD LYS C 111 7.515 14.183 -7.327 1.00 0.00 C ATOM 1716 CE LYS C 111 6.479 14.447 -8.409 1.00 0.00 C ATOM 1717 NZ LYS C 111 7.039 15.234 -9.534 1.00 0.00 N ATOM 0 H LYS C 111 7.458 13.336 -5.173 1.00 0.00 H new ATOM 0 HA LYS C 111 9.400 14.899 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS C 111 9.751 16.156 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS C 111 9.802 14.450 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS C 111 7.304 16.111 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS C 111 8.569 16.022 -7.630 1.00 0.00 H new ATOM 0 HD2 LYS C 111 8.310 13.553 -7.727 1.00 0.00 H new ATOM 0 HD3 LYS C 111 7.055 13.633 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS C 111 6.098 13.498 -8.785 1.00 0.00 H new ATOM 0 HE3 LYS C 111 5.633 14.982 -7.978 1.00 0.00 H new ATOM 0 HZ1 LYS C 111 6.397 15.178 -10.350 1.00 0.00 H new ATOM 0 HZ2 LYS C 111 7.144 16.227 -9.244 1.00 0.00 H new ATOM 0 HZ3 LYS C 111 7.969 14.850 -9.797 1.00 0.00 H new ATOM 1731 N VAL C 112 6.782 15.616 -2.872 1.00 0.00 N ATOM 1732 CA VAL C 112 5.766 16.491 -2.311 1.00 0.00 C ATOM 1733 C VAL C 112 5.959 16.650 -0.795 1.00 0.00 C ATOM 1734 O VAL C 112 5.331 17.489 -0.163 1.00 0.00 O ATOM 1735 CB VAL C 112 4.358 15.917 -2.645 1.00 0.00 C ATOM 1736 CG1 VAL C 112 3.244 16.607 -1.888 1.00 0.00 C ATOM 1737 CG2 VAL C 112 4.089 16.012 -4.138 1.00 0.00 C ATOM 0 H VAL C 112 6.827 14.698 -2.430 1.00 0.00 H new ATOM 0 HA VAL C 112 5.857 17.483 -2.753 1.00 0.00 H new ATOM 0 HB VAL C 112 4.368 14.873 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL C 112 2.287 16.163 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL C 112 3.404 16.488 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL C 112 3.237 17.668 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL C 112 3.101 15.607 -4.356 1.00 0.00 H new ATOM 0 HG22 VAL C 112 4.130 17.056 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL C 112 4.843 15.442 -4.681 1.00 0.00 H new ATOM 1747 N GLU C 113 6.837 15.836 -0.217 1.00 0.00 N ATOM 1748 CA GLU C 113 7.101 15.882 1.224 1.00 0.00 C ATOM 1749 C GLU C 113 7.961 17.080 1.647 1.00 0.00 C ATOM 1750 O GLU C 113 7.782 17.624 2.737 1.00 0.00 O ATOM 1751 CB GLU C 113 7.784 14.583 1.657 1.00 0.00 C ATOM 1752 CG GLU C 113 8.984 14.198 0.798 1.00 0.00 C ATOM 1753 CD GLU C 113 9.710 12.981 1.316 1.00 0.00 C ATOM 1754 OE1 GLU C 113 10.147 13.001 2.483 1.00 0.00 O ATOM 1755 OE2 GLU C 113 9.864 12.008 0.552 1.00 0.00 O ATOM 0 H GLU C 113 7.380 15.135 -0.721 1.00 0.00 H new ATOM 0 HA GLU C 113 6.137 15.998 1.719 1.00 0.00 H new ATOM 0 HB2 GLU C 113 8.108 14.683 2.693 1.00 0.00 H new ATOM 0 HB3 GLU C 113 7.055 13.774 1.628 1.00 0.00 H new ATOM 0 HG2 GLU C 113 8.649 14.008 -0.222 1.00 0.00 H new ATOM 0 HG3 GLU C 113 9.678 15.038 0.754 1.00 0.00 H new ATOM 1762 N LEU C 114 8.919 17.446 0.805 1.00 0.00 N ATOM 1763 CA LEU C 114 9.854 18.543 1.094 1.00 0.00 C ATOM 1764 C LEU C 114 9.163 19.896 1.228 1.00 0.00 C ATOM 1765 O LEU C 114 9.025 20.450 2.313 1.00 0.00 O ATOM 1766 CB LEU C 114 10.898 18.690 -0.032 1.00 0.00 C ATOM 1767 CG LEU C 114 11.497 17.409 -0.617 1.00 0.00 C ATOM 1768 CD1 LEU C 114 11.876 16.443 0.483 1.00 0.00 C ATOM 1769 CD2 LEU C 114 10.557 16.756 -1.617 1.00 0.00 C ATOM 0 H LEU C 114 9.075 16.997 -0.097 1.00 0.00 H new ATOM 0 HA LEU C 114 10.320 18.276 2.042 1.00 0.00 H new ATOM 0 HB2 LEU C 114 10.436 19.247 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU C 114 11.717 19.301 0.348 1.00 0.00 H new ATOM 0 HG LEU C 114 12.403 17.685 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU C 114 12.300 15.540 0.044 1.00 0.00 H new ATOM 0 HD12 LEU C 114 12.613 16.908 1.138 1.00 0.00 H new ATOM 0 HD13 LEU C 114 10.989 16.184 1.061 1.00 0.00 H new ATOM 0 HD21 LEU C 114 11.017 15.850 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU C 114 9.619 16.502 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU C 114 10.359 17.448 -2.436 1.00 0.00 H new ATOM 1781 N PHE C 115 8.811 20.422 0.068 1.00 0.00 N ATOM 1782 CA PHE C 115 8.189 21.748 -0.121 1.00 0.00 C ATOM 1783 C PHE C 115 7.251 22.256 0.991 1.00 0.00 C ATOM 1784 O PHE C 115 7.405 23.399 1.427 1.00 0.00 O ATOM 1785 CB PHE C 115 7.477 21.751 -1.467 1.00 0.00 C ATOM 1786 CG PHE C 115 8.371 21.263 -2.562 1.00 0.00 C ATOM 1787 CD1 PHE C 115 9.470 22.009 -2.956 1.00 0.00 C ATOM 1788 CD2 PHE C 115 8.136 20.048 -3.176 1.00 0.00 C ATOM 1789 CE1 PHE C 115 10.320 21.547 -3.941 1.00 0.00 C ATOM 1790 CE2 PHE C 115 8.977 19.586 -4.164 1.00 0.00 C ATOM 1791 CZ PHE C 115 10.071 20.334 -4.549 1.00 0.00 C ATOM 0 H PHE C 115 8.951 19.927 -0.813 1.00 0.00 H new ATOM 0 HA PHE C 115 9.013 22.460 -0.078 1.00 0.00 H new ATOM 0 HB2 PHE C 115 6.590 21.120 -1.412 1.00 0.00 H new ATOM 0 HB3 PHE C 115 7.136 22.760 -1.697 1.00 0.00 H new ATOM 0 HD1 PHE C 115 9.664 22.963 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE C 115 7.284 19.454 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE C 115 11.178 22.134 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE C 115 8.780 18.636 -4.639 1.00 0.00 H new ATOM 0 HZ PHE C 115 10.730 19.971 -5.324 1.00 0.00 H new ATOM 1801 N PRO C 116 6.252 21.476 1.446 1.00 0.00 N ATOM 1802 CA PRO C 116 5.304 21.937 2.472 1.00 0.00 C ATOM 1803 C PRO C 116 5.871 21.985 3.890 1.00 0.00 C ATOM 1804 O PRO C 116 5.119 22.051 4.861 1.00 0.00 O ATOM 1805 CB PRO C 116 4.162 20.928 2.386 1.00 0.00 C ATOM 1806 CG PRO C 116 4.785 19.691 1.840 1.00 0.00 C ATOM 1807 CD PRO C 116 5.938 20.124 0.976 1.00 0.00 C ATOM 0 HA PRO C 116 5.011 22.969 2.281 1.00 0.00 H new ATOM 0 HB2 PRO C 116 3.719 20.748 3.366 1.00 0.00 H new ATOM 0 HB3 PRO C 116 3.364 21.288 1.737 1.00 0.00 H new ATOM 0 HG2 PRO C 116 5.129 19.044 2.647 1.00 0.00 H new ATOM 0 HG3 PRO C 116 4.062 19.119 1.259 1.00 0.00 H new ATOM 0 HD2 PRO C 116 6.792 19.456 1.087 1.00 0.00 H new ATOM 0 HD3 PRO C 116 5.667 20.122 -0.080 1.00 0.00 H new ATOM 1815 N ASN C 117 7.182 21.984 4.009 1.00 0.00 N ATOM 1816 CA ASN C 117 7.821 22.063 5.315 1.00 0.00 C ATOM 1817 C ASN C 117 8.354 23.471 5.530 1.00 0.00 C ATOM 1818 O ASN C 117 9.376 23.850 4.956 1.00 0.00 O ATOM 1819 CB ASN C 117 8.948 21.036 5.441 1.00 0.00 C ATOM 1820 CG ASN C 117 9.518 20.980 6.847 1.00 0.00 C ATOM 1821 OD1 ASN C 117 8.797 20.700 7.808 1.00 0.00 O ATOM 1822 ND2 ASN C 117 10.813 21.241 6.976 1.00 0.00 N ATOM 0 H ASN C 117 7.829 21.930 3.222 1.00 0.00 H new ATOM 0 HA ASN C 117 7.082 21.835 6.083 1.00 0.00 H new ATOM 0 HB2 ASN C 117 8.572 20.051 5.164 1.00 0.00 H new ATOM 0 HB3 ASN C 117 9.743 21.284 4.738 1.00 0.00 H new ATOM 0 HD21 ASN C 117 11.249 21.214 7.898 1.00 0.00 H new ATOM 0 HD22 ASN C 117 11.372 21.468 6.154 1.00 0.00 H new ATOM 1829 N GLY C 118 7.644 24.248 6.343 1.00 0.00 N ATOM 1830 CA GLY C 118 8.037 25.621 6.608 1.00 0.00 C ATOM 1831 C GLY C 118 9.387 25.739 7.289 1.00 0.00 C ATOM 1832 O GLY C 118 10.123 26.699 7.053 1.00 0.00 O ATOM 0 H GLY C 118 6.797 23.948 6.826 1.00 0.00 H new ATOM 0 HA2 GLY C 118 8.063 26.172 5.668 1.00 0.00 H new ATOM 0 HA3 GLY C 118 7.280 26.094 7.234 1.00 0.00 H new ATOM 1836 N GLY C 119 9.711 24.776 8.139 1.00 0.00 N ATOM 1837 CA GLY C 119 10.978 24.813 8.842 1.00 0.00 C ATOM 1838 C GLY C 119 10.865 25.499 10.184 1.00 0.00 C ATOM 1839 O GLY C 119 11.810 26.137 10.652 1.00 0.00 O ATOM 0 H GLY C 119 9.122 23.972 8.355 1.00 0.00 H new ATOM 0 HA2 GLY C 119 11.342 23.796 8.985 1.00 0.00 H new ATOM 0 HA3 GLY C 119 11.716 25.333 8.231 1.00 0.00 H new ATOM 1843 N ILE C 120 9.699 25.365 10.801 1.00 0.00 N ATOM 1844 CA ILE C 120 9.437 25.965 12.096 1.00 0.00 C ATOM 1845 C ILE C 120 8.969 24.886 13.072 1.00 0.00 C ATOM 1846 O ILE C 120 8.240 23.973 12.633 1.00 0.00 O ATOM 1847 CB ILE C 120 8.392 27.117 11.963 1.00 0.00 C ATOM 1848 CG1 ILE C 120 8.197 27.880 13.287 1.00 0.00 C ATOM 1849 CG2 ILE C 120 7.057 26.588 11.448 1.00 0.00 C ATOM 1850 CD1 ILE C 120 7.165 27.275 14.221 1.00 0.00 C ATOM 1851 OXT ILE C 120 9.355 24.942 14.256 1.00 0.00 O ATOM 0 H ILE C 120 8.913 24.839 10.418 1.00 0.00 H new ATOM 0 HA ILE C 120 10.354 26.405 12.487 1.00 0.00 H new ATOM 0 HB ILE C 120 8.790 27.824 11.235 1.00 0.00 H new ATOM 0 HG12 ILE C 120 9.154 27.929 13.807 1.00 0.00 H new ATOM 0 HG13 ILE C 120 7.905 28.905 13.060 1.00 0.00 H new ATOM 0 HG21 ILE C 120 6.347 27.411 11.365 1.00 0.00 H new ATOM 0 HG22 ILE C 120 7.200 26.132 10.469 1.00 0.00 H new ATOM 0 HG23 ILE C 120 6.669 25.843 12.142 1.00 0.00 H new ATOM 0 HD11 ILE C 120 7.096 27.878 15.126 1.00 0.00 H new ATOM 0 HD12 ILE C 120 6.195 27.252 13.725 1.00 0.00 H new ATOM 0 HD13 ILE C 120 7.463 26.260 14.483 1.00 0.00 H new TER 1863 ILE C 120