USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00027 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0806 X(o=-0.081,f=-0.45) USER MOD Single : A 26 GLN : amide:sc= -0.208 K(o=-0.21,f=-2!) USER MOD Single : A 29 SER OG : rot -160:sc= -0.447 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -20:sc= -0.0607 USER MOD Single : A 38 SER OG : rot 180:sc= -0.465 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 55 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.39) USER MOD Single : A 57 ASN : amide:sc= -0.347 K(o=-0.35,f=-1.8!) USER MOD Single : A 60 ASN : amide:sc= 0.205 K(o=0.21,f=-2.4!) USER MOD Single : A 65 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.53) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 70 HIS : no HD1:sc= -2.42 X(o=-2.4,f=-2) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 157:sc= 0.382 (180deg=0.053) USER MOD Single : A 82 SER OG : rot 89:sc= -0.103 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0566 K(o=-0.057,f=-1.9!) USER MOD Single : A 95 SER OG : rot 26:sc= 0.558 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 178:sc= 0.0367 (180deg=0.0362) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.101 -23.813 25.270 1.00 0.00 N ATOM 2 CA GLY A 1 7.051 -24.744 24.158 1.00 0.00 C ATOM 3 C GLY A 1 5.669 -25.335 23.958 1.00 0.00 C ATOM 4 O GLY A 1 5.039 -25.794 24.911 1.00 0.00 O ATOM 0 H1 GLY A 1 8.066 -23.437 25.365 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.440 -23.029 25.097 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.833 -24.304 26.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.360 -24.233 23.246 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.766 -25.549 24.330 1.00 0.00 H new ATOM 8 N SER A 2 5.195 -25.321 22.716 1.00 0.00 N ATOM 9 CA SER A 2 3.877 -25.854 22.395 1.00 0.00 C ATOM 10 C SER A 2 3.656 -25.885 20.886 1.00 0.00 C ATOM 11 O SER A 2 4.463 -25.361 20.119 1.00 0.00 O ATOM 12 CB SER A 2 2.787 -25.015 23.065 1.00 0.00 C ATOM 13 OG SER A 2 3.128 -23.639 23.061 1.00 0.00 O ATOM 0 H SER A 2 5.705 -24.946 21.916 1.00 0.00 H new ATOM 0 HA SER A 2 3.823 -26.875 22.773 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.840 -25.160 22.544 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.642 -25.354 24.091 1.00 0.00 H new ATOM 0 HG SER A 2 2.415 -23.124 23.493 1.00 0.00 H new ATOM 19 N SER A 3 2.556 -26.503 20.467 1.00 0.00 N ATOM 20 CA SER A 3 2.230 -26.606 19.050 1.00 0.00 C ATOM 21 C SER A 3 0.758 -26.959 18.856 1.00 0.00 C ATOM 22 O SER A 3 0.078 -27.371 19.794 1.00 0.00 O ATOM 23 CB SER A 3 3.111 -27.660 18.377 1.00 0.00 C ATOM 24 OG SER A 3 3.041 -27.558 16.966 1.00 0.00 O ATOM 0 H SER A 3 1.876 -26.940 21.089 1.00 0.00 H new ATOM 0 HA SER A 3 2.418 -25.637 18.588 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.144 -27.537 18.703 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.795 -28.655 18.689 1.00 0.00 H new ATOM 0 HG SER A 3 3.614 -28.241 16.560 1.00 0.00 H new ATOM 30 N GLY A 4 0.273 -26.793 17.629 1.00 0.00 N ATOM 31 CA GLY A 4 -1.115 -27.097 17.332 1.00 0.00 C ATOM 32 C GLY A 4 -1.817 -25.962 16.615 1.00 0.00 C ATOM 33 O GLY A 4 -1.587 -24.791 16.918 1.00 0.00 O ATOM 0 H GLY A 4 0.816 -26.453 16.835 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.163 -27.996 16.717 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.642 -27.317 18.260 1.00 0.00 H new ATOM 37 N SER A 5 -2.676 -26.307 15.662 1.00 0.00 N ATOM 38 CA SER A 5 -3.410 -25.307 14.895 1.00 0.00 C ATOM 39 C SER A 5 -4.743 -25.868 14.407 1.00 0.00 C ATOM 40 O SER A 5 -4.788 -26.914 13.759 1.00 0.00 O ATOM 41 CB SER A 5 -2.576 -24.833 13.704 1.00 0.00 C ATOM 42 OG SER A 5 -1.410 -24.154 14.136 1.00 0.00 O ATOM 0 H SER A 5 -2.881 -27.272 15.402 1.00 0.00 H new ATOM 0 HA SER A 5 -3.610 -24.458 15.549 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.296 -25.688 13.089 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.174 -24.172 13.077 1.00 0.00 H new ATOM 0 HG SER A 5 -0.893 -23.863 13.356 1.00 0.00 H new ATOM 48 N SER A 6 -5.825 -25.164 14.722 1.00 0.00 N ATOM 49 CA SER A 6 -7.159 -25.592 14.319 1.00 0.00 C ATOM 50 C SER A 6 -7.692 -24.718 13.188 1.00 0.00 C ATOM 51 O SER A 6 -8.027 -25.211 12.112 1.00 0.00 O ATOM 52 CB SER A 6 -8.116 -25.542 15.512 1.00 0.00 C ATOM 53 OG SER A 6 -9.453 -25.776 15.104 1.00 0.00 O ATOM 0 H SER A 6 -5.804 -24.295 15.255 1.00 0.00 H new ATOM 0 HA SER A 6 -7.091 -26.619 13.960 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.822 -26.289 16.250 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.046 -24.569 15.998 1.00 0.00 H new ATOM 0 HG SER A 6 -10.044 -25.740 15.885 1.00 0.00 H new ATOM 59 N GLY A 7 -7.767 -23.415 13.441 1.00 0.00 N ATOM 60 CA GLY A 7 -8.260 -22.491 12.436 1.00 0.00 C ATOM 61 C GLY A 7 -8.124 -21.043 12.862 1.00 0.00 C ATOM 62 O GLY A 7 -8.450 -20.689 13.996 1.00 0.00 O ATOM 0 H GLY A 7 -7.495 -22.983 14.324 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.713 -22.645 11.506 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.308 -22.709 12.230 1.00 0.00 H new ATOM 66 N LEU A 8 -7.640 -20.203 11.954 1.00 0.00 N ATOM 67 CA LEU A 8 -7.460 -18.785 12.242 1.00 0.00 C ATOM 68 C LEU A 8 -8.590 -17.958 11.638 1.00 0.00 C ATOM 69 O LEU A 8 -8.397 -17.254 10.647 1.00 0.00 O ATOM 70 CB LEU A 8 -6.113 -18.301 11.701 1.00 0.00 C ATOM 71 CG LEU A 8 -5.765 -16.838 11.977 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.129 -16.690 13.350 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.839 -16.298 10.897 1.00 0.00 C ATOM 0 H LEU A 8 -7.365 -20.480 11.012 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.478 -18.655 13.324 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.328 -18.927 12.125 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.099 -18.460 10.623 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.687 -16.256 11.962 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.888 -15.642 13.528 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.826 -17.037 14.113 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.216 -17.284 13.394 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.602 -15.256 11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.920 -16.883 10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.332 -16.368 9.927 1.00 0.00 H new ATOM 85 N VAL A 9 -9.770 -18.047 12.242 1.00 0.00 N ATOM 86 CA VAL A 9 -10.931 -17.305 11.766 1.00 0.00 C ATOM 87 C VAL A 9 -11.503 -16.415 12.864 1.00 0.00 C ATOM 88 O VAL A 9 -11.988 -15.316 12.595 1.00 0.00 O ATOM 89 CB VAL A 9 -12.035 -18.253 11.262 1.00 0.00 C ATOM 90 CG1 VAL A 9 -12.485 -19.188 12.374 1.00 0.00 C ATOM 91 CG2 VAL A 9 -13.211 -17.458 10.714 1.00 0.00 C ATOM 0 H VAL A 9 -9.947 -18.626 13.063 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.591 -16.683 10.938 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.627 -18.859 10.453 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.265 -19.850 11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.637 -19.783 12.715 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.875 -18.602 13.206 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.982 -18.144 10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.621 -16.825 11.501 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.874 -16.835 9.885 1.00 0.00 H new ATOM 101 N GLN A 10 -11.442 -16.897 14.101 1.00 0.00 N ATOM 102 CA GLN A 10 -11.954 -16.145 15.240 1.00 0.00 C ATOM 103 C GLN A 10 -11.319 -14.760 15.307 1.00 0.00 C ATOM 104 O GLN A 10 -10.221 -14.543 14.796 1.00 0.00 O ATOM 105 CB GLN A 10 -11.688 -16.904 16.541 1.00 0.00 C ATOM 106 CG GLN A 10 -10.235 -17.313 16.720 1.00 0.00 C ATOM 107 CD GLN A 10 -9.960 -17.902 18.090 1.00 0.00 C ATOM 108 OE1 GLN A 10 -9.399 -17.237 18.962 1.00 0.00 O ATOM 109 NE2 GLN A 10 -10.353 -19.154 18.287 1.00 0.00 N ATOM 0 H GLN A 10 -11.043 -17.805 14.340 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.030 -16.026 15.111 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.988 -16.281 17.383 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.314 -17.796 16.566 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.970 -18.043 15.955 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.595 -16.444 16.567 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.814 -19.668 17.536 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.194 -19.603 19.189 1.00 0.00 H new ATOM 118 N GLY A 11 -12.019 -13.823 15.941 1.00 0.00 N ATOM 119 CA GLY A 11 -11.508 -12.470 16.062 1.00 0.00 C ATOM 120 C GLY A 11 -12.490 -11.432 15.555 1.00 0.00 C ATOM 121 O GLY A 11 -13.616 -11.762 15.183 1.00 0.00 O ATOM 0 H GLY A 11 -12.930 -13.977 16.373 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.275 -12.265 17.107 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.575 -12.386 15.505 1.00 0.00 H new ATOM 125 N ARG A 12 -12.063 -10.174 15.541 1.00 0.00 N ATOM 126 CA ARG A 12 -12.913 -9.084 15.079 1.00 0.00 C ATOM 127 C ARG A 12 -13.491 -9.391 13.700 1.00 0.00 C ATOM 128 O ARG A 12 -13.058 -10.329 13.031 1.00 0.00 O ATOM 129 CB ARG A 12 -12.122 -7.776 15.031 1.00 0.00 C ATOM 130 CG ARG A 12 -12.121 -7.016 16.348 1.00 0.00 C ATOM 131 CD ARG A 12 -11.973 -5.519 16.127 1.00 0.00 C ATOM 132 NE ARG A 12 -10.573 -5.102 16.122 1.00 0.00 N ATOM 133 CZ ARG A 12 -10.185 -3.831 16.135 1.00 0.00 C ATOM 134 NH1 ARG A 12 -11.086 -2.859 16.154 1.00 0.00 N ATOM 135 NH2 ARG A 12 -8.892 -3.532 16.129 1.00 0.00 N ATOM 0 H ARG A 12 -11.133 -9.884 15.844 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.737 -8.977 15.784 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.093 -7.994 14.746 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.540 -7.137 14.253 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.048 -7.216 16.885 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.305 -7.375 16.976 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.436 -5.245 15.179 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.508 -4.982 16.910 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.854 -5.826 16.108 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.081 -3.086 16.159 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.785 -1.885 16.164 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.196 -4.278 16.114 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.594 -2.557 16.139 1.00 0.00 H new ATOM 149 N ARG A 13 -14.470 -8.596 13.284 1.00 0.00 N ATOM 150 CA ARG A 13 -15.108 -8.785 11.986 1.00 0.00 C ATOM 151 C ARG A 13 -15.468 -7.442 11.357 1.00 0.00 C ATOM 152 O ARG A 13 -16.065 -6.581 12.003 1.00 0.00 O ATOM 153 CB ARG A 13 -16.365 -9.644 12.132 1.00 0.00 C ATOM 154 CG ARG A 13 -17.015 -10.003 10.806 1.00 0.00 C ATOM 155 CD ARG A 13 -16.058 -10.771 9.907 1.00 0.00 C ATOM 156 NE ARG A 13 -15.572 -11.993 10.541 1.00 0.00 N ATOM 157 CZ ARG A 13 -16.276 -13.118 10.604 1.00 0.00 C ATOM 158 NH1 ARG A 13 -17.490 -13.175 10.074 1.00 0.00 N ATOM 159 NH2 ARG A 13 -15.765 -14.189 11.198 1.00 0.00 N ATOM 0 H ARG A 13 -14.839 -7.815 13.826 1.00 0.00 H new ATOM 0 HA ARG A 13 -14.401 -9.296 11.333 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -16.108 -10.562 12.661 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -17.089 -9.112 12.749 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -17.907 -10.603 10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.340 -9.094 10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.561 -11.023 8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -15.211 -10.134 9.651 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.641 -11.983 10.958 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -17.886 -12.354 9.616 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.028 -14.040 10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.831 -14.149 11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.306 -15.052 11.246 1.00 0.00 H new ATOM 173 N VAL A 14 -15.099 -7.270 10.092 1.00 0.00 N ATOM 174 CA VAL A 14 -15.383 -6.033 9.374 1.00 0.00 C ATOM 175 C VAL A 14 -16.390 -6.265 8.254 1.00 0.00 C ATOM 176 O VAL A 14 -16.316 -7.262 7.535 1.00 0.00 O ATOM 177 CB VAL A 14 -14.100 -5.423 8.777 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.436 -4.228 7.898 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.134 -5.027 9.883 1.00 0.00 C ATOM 0 H VAL A 14 -14.603 -7.972 9.543 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.805 -5.337 10.099 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.615 -6.176 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.518 -3.810 7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.088 -4.547 7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.944 -3.469 8.494 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.234 -4.598 9.443 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.607 -4.290 10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.868 -5.908 10.467 1.00 0.00 H new ATOM 189 N HIS A 15 -17.333 -5.339 8.112 1.00 0.00 N ATOM 190 CA HIS A 15 -18.357 -5.442 7.078 1.00 0.00 C ATOM 191 C HIS A 15 -18.443 -4.152 6.268 1.00 0.00 C ATOM 192 O HIS A 15 -18.963 -3.143 6.745 1.00 0.00 O ATOM 193 CB HIS A 15 -19.715 -5.757 7.705 1.00 0.00 C ATOM 194 CG HIS A 15 -19.846 -7.174 8.170 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.154 -8.221 7.599 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.594 -7.715 9.160 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.472 -9.345 8.216 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.344 -9.065 9.168 1.00 0.00 N ATOM 0 H HIS A 15 -17.409 -4.509 8.700 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.079 -6.254 6.406 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.879 -5.089 8.551 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.499 -5.548 6.977 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -21.263 -7.184 9.821 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.085 -10.326 7.982 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.763 -9.742 9.805 1.00 0.00 H new ATOM 206 N ILE A 16 -17.931 -4.193 5.043 1.00 0.00 N ATOM 207 CA ILE A 16 -17.951 -3.028 4.167 1.00 0.00 C ATOM 208 C ILE A 16 -19.372 -2.508 3.976 1.00 0.00 C ATOM 209 O ILE A 16 -20.140 -3.051 3.182 1.00 0.00 O ATOM 210 CB ILE A 16 -17.344 -3.348 2.789 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.906 -3.848 2.944 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.389 -2.120 1.892 1.00 0.00 C ATOM 213 CD1 ILE A 16 -14.963 -2.808 3.509 1.00 0.00 C ATOM 0 H ILE A 16 -17.497 -5.021 4.634 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.347 -2.260 4.651 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.935 -4.137 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.902 -4.722 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.536 -4.173 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -16.956 -2.362 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.424 -1.804 1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.819 -1.312 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.962 -3.231 3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.938 -1.942 2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.309 -2.501 4.496 1.00 0.00 H new ATOM 225 N ILE A 17 -19.713 -1.453 4.708 1.00 0.00 N ATOM 226 CA ILE A 17 -21.041 -0.858 4.616 1.00 0.00 C ATOM 227 C ILE A 17 -21.214 -0.098 3.306 1.00 0.00 C ATOM 228 O ILE A 17 -22.064 -0.442 2.485 1.00 0.00 O ATOM 229 CB ILE A 17 -21.311 0.100 5.792 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.915 -0.558 7.115 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.775 0.511 5.814 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.150 0.324 8.322 1.00 0.00 C ATOM 0 H ILE A 17 -19.089 -0.993 5.371 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.758 -1.679 4.654 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.705 0.996 5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.480 -1.483 7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.861 -0.831 7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.950 1.188 6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.025 1.015 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.400 -0.375 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.847 -0.206 9.225 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.564 1.238 8.224 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.208 0.577 8.388 1.00 0.00 H new ATOM 244 N GLU A 18 -20.400 0.936 3.115 1.00 0.00 N ATOM 245 CA GLU A 18 -20.463 1.744 1.903 1.00 0.00 C ATOM 246 C GLU A 18 -19.102 1.798 1.214 1.00 0.00 C ATOM 247 O GLU A 18 -18.357 2.767 1.364 1.00 0.00 O ATOM 248 CB GLU A 18 -20.937 3.161 2.232 1.00 0.00 C ATOM 249 CG GLU A 18 -22.218 3.200 3.048 1.00 0.00 C ATOM 250 CD GLU A 18 -23.000 4.483 2.844 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.556 5.327 2.038 1.00 0.00 O ATOM 252 OE2 GLU A 18 -24.056 4.644 3.491 1.00 0.00 O ATOM 0 H GLU A 18 -19.690 1.233 3.784 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.177 1.279 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.151 3.680 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.092 3.708 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.844 2.350 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.975 3.091 4.105 1.00 0.00 H new ATOM 259 N ASP A 19 -18.786 0.751 0.460 1.00 0.00 N ATOM 260 CA ASP A 19 -17.515 0.679 -0.253 1.00 0.00 C ATOM 261 C ASP A 19 -17.286 1.937 -1.084 1.00 0.00 C ATOM 262 O ASP A 19 -18.234 2.637 -1.445 1.00 0.00 O ATOM 263 CB ASP A 19 -17.482 -0.557 -1.154 1.00 0.00 C ATOM 264 CG ASP A 19 -16.070 -1.038 -1.424 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.411 -0.470 -2.319 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.624 -1.984 -0.741 1.00 0.00 O ATOM 0 H ASP A 19 -19.391 -0.059 0.326 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.716 0.603 0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.053 -1.359 -0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.972 -0.327 -2.100 1.00 0.00 H new ATOM 271 N LEU A 20 -16.024 2.219 -1.385 1.00 0.00 N ATOM 272 CA LEU A 20 -15.669 3.394 -2.174 1.00 0.00 C ATOM 273 C LEU A 20 -16.465 3.437 -3.475 1.00 0.00 C ATOM 274 O LEU A 20 -17.156 2.480 -3.822 1.00 0.00 O ATOM 275 CB LEU A 20 -14.170 3.395 -2.479 1.00 0.00 C ATOM 276 CG LEU A 20 -13.241 3.194 -1.282 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.050 2.332 -1.669 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.776 4.536 -0.737 1.00 0.00 C ATOM 0 H LEU A 20 -15.229 1.650 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.915 4.281 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.967 2.609 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.917 4.343 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.796 2.679 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.400 2.200 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.401 1.358 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.494 2.819 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.116 4.374 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.238 5.078 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.641 5.119 -0.420 1.00 0.00 H new ATOM 290 N GLU A 21 -16.360 4.552 -4.190 1.00 0.00 N ATOM 291 CA GLU A 21 -17.069 4.718 -5.454 1.00 0.00 C ATOM 292 C GLU A 21 -16.088 4.899 -6.609 1.00 0.00 C ATOM 293 O GLU A 21 -15.862 3.979 -7.395 1.00 0.00 O ATOM 294 CB GLU A 21 -18.014 5.920 -5.380 1.00 0.00 C ATOM 295 CG GLU A 21 -19.131 5.754 -4.364 1.00 0.00 C ATOM 296 CD GLU A 21 -20.377 6.534 -4.735 1.00 0.00 C ATOM 297 OE1 GLU A 21 -20.692 6.610 -5.941 1.00 0.00 O ATOM 298 OE2 GLU A 21 -21.037 7.069 -3.820 1.00 0.00 O ATOM 0 H GLU A 21 -15.792 5.353 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.653 3.816 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.437 6.810 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.451 6.089 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.382 4.697 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.779 6.082 -3.386 1.00 0.00 H new ATOM 305 N ASP A 22 -15.509 6.090 -6.704 1.00 0.00 N ATOM 306 CA ASP A 22 -14.552 6.393 -7.762 1.00 0.00 C ATOM 307 C ASP A 22 -14.046 7.827 -7.643 1.00 0.00 C ATOM 308 O ASP A 22 -14.638 8.650 -6.945 1.00 0.00 O ATOM 309 CB ASP A 22 -15.191 6.176 -9.135 1.00 0.00 C ATOM 310 CG ASP A 22 -16.593 6.748 -9.217 1.00 0.00 C ATOM 311 OD1 ASP A 22 -17.543 6.052 -8.800 1.00 0.00 O ATOM 312 OD2 ASP A 22 -16.740 7.891 -9.697 1.00 0.00 O ATOM 0 H ASP A 22 -15.685 6.862 -6.061 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.703 5.718 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.567 6.639 -9.900 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.224 5.109 -9.353 1.00 0.00 H new ATOM 317 N VAL A 23 -12.945 8.120 -8.330 1.00 0.00 N ATOM 318 CA VAL A 23 -12.359 9.454 -8.301 1.00 0.00 C ATOM 319 C VAL A 23 -11.698 9.793 -9.633 1.00 0.00 C ATOM 320 O VAL A 23 -11.099 8.931 -10.277 1.00 0.00 O ATOM 321 CB VAL A 23 -11.316 9.585 -7.175 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.682 10.967 -7.193 1.00 0.00 C ATOM 323 CG2 VAL A 23 -11.953 9.299 -5.824 1.00 0.00 C ATOM 0 H VAL A 23 -12.442 7.451 -8.913 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.174 10.153 -8.114 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.530 8.849 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.948 11.041 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.189 11.129 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.454 11.723 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.202 9.396 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.759 10.010 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.355 8.286 -5.818 1.00 0.00 H new ATOM 333 N ASP A 24 -11.811 11.052 -10.040 1.00 0.00 N ATOM 334 CA ASP A 24 -11.223 11.506 -11.295 1.00 0.00 C ATOM 335 C ASP A 24 -10.884 12.992 -11.230 1.00 0.00 C ATOM 336 O ASP A 24 -11.769 13.845 -11.295 1.00 0.00 O ATOM 337 CB ASP A 24 -12.181 11.239 -12.457 1.00 0.00 C ATOM 338 CG ASP A 24 -13.553 11.840 -12.226 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.386 11.181 -11.568 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.796 12.968 -12.704 1.00 0.00 O ATOM 0 H ASP A 24 -12.305 11.777 -9.519 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.301 10.948 -11.459 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.758 11.649 -13.374 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.279 10.163 -12.604 1.00 0.00 H new ATOM 345 N VAL A 25 -9.596 13.295 -11.100 1.00 0.00 N ATOM 346 CA VAL A 25 -9.140 14.677 -11.026 1.00 0.00 C ATOM 347 C VAL A 25 -7.741 14.826 -11.613 1.00 0.00 C ATOM 348 O VAL A 25 -7.153 13.858 -12.095 1.00 0.00 O ATOM 349 CB VAL A 25 -9.132 15.189 -9.574 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.509 15.034 -8.946 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.079 14.457 -8.757 1.00 0.00 C ATOM 0 H VAL A 25 -8.850 12.601 -11.044 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.842 15.273 -11.610 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.880 16.249 -9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.484 15.401 -7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.237 15.608 -9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.794 13.982 -8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.087 14.832 -7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.298 13.389 -8.754 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.096 14.625 -9.197 1.00 0.00 H new ATOM 361 N GLN A 26 -7.213 16.045 -11.569 1.00 0.00 N ATOM 362 CA GLN A 26 -5.882 16.320 -12.096 1.00 0.00 C ATOM 363 C GLN A 26 -4.807 15.975 -11.071 1.00 0.00 C ATOM 364 O GLN A 26 -4.984 16.199 -9.874 1.00 0.00 O ATOM 365 CB GLN A 26 -5.764 17.791 -12.500 1.00 0.00 C ATOM 366 CG GLN A 26 -5.660 18.740 -11.317 1.00 0.00 C ATOM 367 CD GLN A 26 -6.314 20.081 -11.585 1.00 0.00 C ATOM 368 OE1 GLN A 26 -7.226 20.187 -12.405 1.00 0.00 O ATOM 369 NE2 GLN A 26 -5.851 21.115 -10.892 1.00 0.00 N ATOM 0 H GLN A 26 -7.687 16.857 -11.174 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.732 15.695 -12.976 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.886 17.916 -13.134 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.632 18.065 -13.100 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.126 18.280 -10.445 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.609 18.895 -11.072 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.093 20.982 -10.222 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.253 22.042 -11.030 1.00 0.00 H new ATOM 378 N GLU A 27 -3.694 15.428 -11.549 1.00 0.00 N ATOM 379 CA GLU A 27 -2.591 15.050 -10.672 1.00 0.00 C ATOM 380 C GLU A 27 -2.117 16.245 -9.850 1.00 0.00 C ATOM 381 O GLU A 27 -2.139 17.383 -10.318 1.00 0.00 O ATOM 382 CB GLU A 27 -1.429 14.487 -11.492 1.00 0.00 C ATOM 383 CG GLU A 27 -0.522 15.557 -12.077 1.00 0.00 C ATOM 384 CD GLU A 27 0.719 15.792 -11.239 1.00 0.00 C ATOM 385 OE1 GLU A 27 1.720 15.075 -11.448 1.00 0.00 O ATOM 386 OE2 GLU A 27 0.691 16.693 -10.374 1.00 0.00 O ATOM 0 H GLU A 27 -3.532 15.237 -12.538 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.950 14.280 -9.989 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.836 13.826 -10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.829 13.878 -12.303 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.226 15.265 -13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.078 16.490 -12.166 1.00 0.00 H new ATOM 393 N GLY A 28 -1.688 15.977 -8.620 1.00 0.00 N ATOM 394 CA GLY A 28 -1.215 17.039 -7.751 1.00 0.00 C ATOM 395 C GLY A 28 -2.302 17.566 -6.835 1.00 0.00 C ATOM 396 O GLY A 28 -2.016 18.238 -5.845 1.00 0.00 O ATOM 0 H GLY A 28 -1.660 15.043 -8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.385 16.669 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.828 17.857 -8.359 1.00 0.00 H new ATOM 400 N SER A 29 -3.552 17.262 -7.167 1.00 0.00 N ATOM 401 CA SER A 29 -4.686 17.715 -6.370 1.00 0.00 C ATOM 402 C SER A 29 -4.950 16.760 -5.209 1.00 0.00 C ATOM 403 O SER A 29 -4.195 15.814 -4.986 1.00 0.00 O ATOM 404 CB SER A 29 -5.937 17.831 -7.244 1.00 0.00 C ATOM 405 OG SER A 29 -5.798 18.870 -8.197 1.00 0.00 O ATOM 0 H SER A 29 -3.805 16.704 -7.982 1.00 0.00 H new ATOM 0 HA SER A 29 -4.443 18.697 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.116 16.885 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.807 18.023 -6.616 1.00 0.00 H new ATOM 0 HG SER A 29 -6.684 19.139 -8.519 1.00 0.00 H new ATOM 411 N SER A 30 -6.026 17.017 -4.473 1.00 0.00 N ATOM 412 CA SER A 30 -6.389 16.184 -3.333 1.00 0.00 C ATOM 413 C SER A 30 -7.638 15.361 -3.635 1.00 0.00 C ATOM 414 O SER A 30 -8.747 15.892 -3.682 1.00 0.00 O ATOM 415 CB SER A 30 -6.623 17.051 -2.095 1.00 0.00 C ATOM 416 OG SER A 30 -6.930 18.386 -2.458 1.00 0.00 O ATOM 0 H SER A 30 -6.662 17.796 -4.646 1.00 0.00 H new ATOM 0 HA SER A 30 -5.563 15.500 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.439 16.635 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.734 17.038 -1.464 1.00 0.00 H new ATOM 0 HG SER A 30 -7.077 18.919 -1.649 1.00 0.00 H new ATOM 422 N ALA A 31 -7.448 14.062 -3.841 1.00 0.00 N ATOM 423 CA ALA A 31 -8.558 13.165 -4.137 1.00 0.00 C ATOM 424 C ALA A 31 -9.153 12.587 -2.858 1.00 0.00 C ATOM 425 O ALA A 31 -8.431 12.077 -2.000 1.00 0.00 O ATOM 426 CB ALA A 31 -8.100 12.047 -5.062 1.00 0.00 C ATOM 0 H ALA A 31 -6.536 13.607 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.335 13.741 -4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.939 11.384 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.730 12.474 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.303 11.480 -4.581 1.00 0.00 H new ATOM 432 N THR A 32 -10.474 12.669 -2.735 1.00 0.00 N ATOM 433 CA THR A 32 -11.166 12.155 -1.560 1.00 0.00 C ATOM 434 C THR A 32 -11.738 10.766 -1.822 1.00 0.00 C ATOM 435 O THR A 32 -12.402 10.539 -2.833 1.00 0.00 O ATOM 436 CB THR A 32 -12.306 13.094 -1.124 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.779 14.384 -0.795 1.00 0.00 O ATOM 438 CG2 THR A 32 -13.049 12.523 0.074 1.00 0.00 C ATOM 0 H THR A 32 -11.086 13.087 -3.436 1.00 0.00 H new ATOM 0 HA THR A 32 -10.428 12.096 -0.760 1.00 0.00 H new ATOM 0 HB THR A 32 -13.006 13.189 -1.954 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.510 14.976 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.850 13.204 0.364 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.474 11.554 -0.189 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.357 12.401 0.907 1.00 0.00 H new ATOM 446 N PHE A 33 -11.477 9.841 -0.904 1.00 0.00 N ATOM 447 CA PHE A 33 -11.966 8.474 -1.037 1.00 0.00 C ATOM 448 C PHE A 33 -12.768 8.062 0.195 1.00 0.00 C ATOM 449 O PHE A 33 -12.232 7.455 1.123 1.00 0.00 O ATOM 450 CB PHE A 33 -10.797 7.509 -1.245 1.00 0.00 C ATOM 451 CG PHE A 33 -10.340 7.420 -2.673 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.027 6.636 -3.586 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.224 8.119 -3.102 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.610 6.552 -4.901 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.802 8.039 -4.416 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.495 7.254 -5.316 1.00 0.00 C ATOM 0 H PHE A 33 -10.930 10.013 -0.061 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.621 8.432 -1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.960 7.826 -0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.090 6.516 -0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.899 6.084 -3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.677 8.734 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.155 5.938 -5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.931 8.590 -4.738 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.166 7.189 -6.343 1.00 0.00 H new ATOM 466 N ARG A 34 -14.054 8.396 0.195 1.00 0.00 N ATOM 467 CA ARG A 34 -14.929 8.063 1.312 1.00 0.00 C ATOM 468 C ARG A 34 -15.375 6.605 1.237 1.00 0.00 C ATOM 469 O ARG A 34 -15.617 6.075 0.153 1.00 0.00 O ATOM 470 CB ARG A 34 -16.152 8.982 1.321 1.00 0.00 C ATOM 471 CG ARG A 34 -16.597 9.391 2.716 1.00 0.00 C ATOM 472 CD ARG A 34 -18.024 9.914 2.715 1.00 0.00 C ATOM 473 NE ARG A 34 -18.968 8.930 2.191 1.00 0.00 N ATOM 474 CZ ARG A 34 -20.233 9.208 1.898 1.00 0.00 C ATOM 475 NH1 ARG A 34 -20.704 10.435 2.076 1.00 0.00 N ATOM 476 NH2 ARG A 34 -21.030 8.259 1.425 1.00 0.00 N ATOM 0 H ARG A 34 -14.513 8.897 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.369 8.207 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.926 9.878 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.978 8.479 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.522 8.536 3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.927 10.159 3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.311 10.186 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.077 10.822 2.115 1.00 0.00 H new ATOM 0 HE ARG A 34 -18.637 7.977 2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -20.094 11.168 2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -21.676 10.646 1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -20.671 7.314 1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -22.001 8.474 1.200 1.00 0.00 H new ATOM 490 N CYS A 35 -15.481 5.964 2.396 1.00 0.00 N ATOM 491 CA CYS A 35 -15.897 4.568 2.462 1.00 0.00 C ATOM 492 C CYS A 35 -16.339 4.198 3.874 1.00 0.00 C ATOM 493 O CYS A 35 -15.582 4.354 4.833 1.00 0.00 O ATOM 494 CB CYS A 35 -14.756 3.653 2.016 1.00 0.00 C ATOM 495 SG CYS A 35 -13.187 3.965 2.859 1.00 0.00 S ATOM 0 H CYS A 35 -15.285 6.389 3.302 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.744 4.435 1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.048 2.617 2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.609 3.770 0.942 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.197 5.162 3.366 1.00 0.00 H new ATOM 501 N ARG A 36 -17.569 3.710 3.995 1.00 0.00 N ATOM 502 CA ARG A 36 -18.114 3.321 5.290 1.00 0.00 C ATOM 503 C ARG A 36 -17.832 1.850 5.579 1.00 0.00 C ATOM 504 O ARG A 36 -18.248 0.969 4.826 1.00 0.00 O ATOM 505 CB ARG A 36 -19.621 3.581 5.333 1.00 0.00 C ATOM 506 CG ARG A 36 -20.165 3.781 6.738 1.00 0.00 C ATOM 507 CD ARG A 36 -21.682 3.885 6.739 1.00 0.00 C ATOM 508 NE ARG A 36 -22.214 4.109 8.080 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.513 4.147 8.358 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.406 3.975 7.393 1.00 0.00 N ATOM 511 NH2 ARG A 36 -23.920 4.356 9.603 1.00 0.00 N ATOM 0 H ARG A 36 -18.208 3.574 3.211 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.627 3.924 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.846 4.465 4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.139 2.742 4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.856 2.949 7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.737 4.686 7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -21.990 4.702 6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.108 2.970 6.328 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.553 4.244 8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.096 3.813 6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.402 4.005 7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.236 4.488 10.348 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.917 4.385 9.815 1.00 0.00 H new ATOM 525 N ILE A 37 -17.122 1.592 6.672 1.00 0.00 N ATOM 526 CA ILE A 37 -16.785 0.228 7.060 1.00 0.00 C ATOM 527 C ILE A 37 -17.056 -0.005 8.542 1.00 0.00 C ATOM 528 O ILE A 37 -16.675 0.804 9.388 1.00 0.00 O ATOM 529 CB ILE A 37 -15.308 -0.094 6.762 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.391 0.777 7.624 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.009 0.112 5.285 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.813 0.048 8.817 1.00 0.00 C ATOM 0 H ILE A 37 -16.769 2.310 7.305 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.419 -0.434 6.469 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.122 -1.140 7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.575 1.153 7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.951 1.644 7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.962 -0.119 5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.643 -0.546 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.208 1.149 5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.173 0.726 9.383 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.623 -0.304 9.456 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.225 -0.803 8.473 1.00 0.00 H new ATOM 544 N SER A 38 -17.715 -1.117 8.850 1.00 0.00 N ATOM 545 CA SER A 38 -18.039 -1.457 10.231 1.00 0.00 C ATOM 546 C SER A 38 -16.945 -2.323 10.848 1.00 0.00 C ATOM 547 O SER A 38 -16.248 -3.070 10.161 1.00 0.00 O ATOM 548 CB SER A 38 -19.381 -2.187 10.297 1.00 0.00 C ATOM 549 OG SER A 38 -19.389 -3.146 11.340 1.00 0.00 O ATOM 0 H SER A 38 -18.035 -1.798 8.162 1.00 0.00 H new ATOM 0 HA SER A 38 -18.109 -0.530 10.801 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.183 -1.466 10.455 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.578 -2.679 9.345 1.00 0.00 H new ATOM 0 HG SER A 38 -20.258 -3.598 11.362 1.00 0.00 H new ATOM 555 N PRO A 39 -16.790 -2.221 12.176 1.00 0.00 N ATOM 556 CA PRO A 39 -17.614 -1.335 13.004 1.00 0.00 C ATOM 557 C PRO A 39 -17.308 0.138 12.757 1.00 0.00 C ATOM 558 O PRO A 39 -16.403 0.475 11.994 1.00 0.00 O ATOM 559 CB PRO A 39 -17.232 -1.728 14.433 1.00 0.00 C ATOM 560 CG PRO A 39 -15.858 -2.292 14.317 1.00 0.00 C ATOM 561 CD PRO A 39 -15.798 -2.964 12.973 1.00 0.00 C ATOM 0 HA PRO A 39 -18.676 -1.445 12.787 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.251 -0.865 15.099 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.928 -2.461 14.841 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.106 -1.507 14.395 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.659 -3.004 15.118 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.802 -2.900 12.536 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.049 -4.023 13.041 1.00 0.00 H new ATOM 569 N ALA A 40 -18.068 1.013 13.408 1.00 0.00 N ATOM 570 CA ALA A 40 -17.876 2.450 13.261 1.00 0.00 C ATOM 571 C ALA A 40 -16.713 2.940 14.118 1.00 0.00 C ATOM 572 O ALA A 40 -16.396 4.128 14.130 1.00 0.00 O ATOM 573 CB ALA A 40 -19.152 3.193 13.625 1.00 0.00 C ATOM 0 H ALA A 40 -18.823 0.751 14.042 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.635 2.654 12.218 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.994 4.265 13.511 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.960 2.873 12.967 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.418 2.974 14.659 1.00 0.00 H new ATOM 579 N ASN A 41 -16.082 2.015 14.834 1.00 0.00 N ATOM 580 CA ASN A 41 -14.955 2.353 15.696 1.00 0.00 C ATOM 581 C ASN A 41 -13.748 1.474 15.383 1.00 0.00 C ATOM 582 O ASN A 41 -12.971 1.129 16.273 1.00 0.00 O ATOM 583 CB ASN A 41 -15.346 2.197 17.167 1.00 0.00 C ATOM 584 CG ASN A 41 -16.406 3.194 17.592 1.00 0.00 C ATOM 585 OD1 ASN A 41 -17.572 3.077 17.214 1.00 0.00 O ATOM 586 ND2 ASN A 41 -16.005 4.183 18.383 1.00 0.00 N ATOM 0 H ASN A 41 -16.332 1.026 14.834 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.684 3.392 15.507 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.714 1.185 17.337 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.461 2.324 17.791 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -16.674 4.884 18.702 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.028 4.241 18.672 1.00 0.00 H new ATOM 593 N TYR A 42 -13.598 1.116 14.113 1.00 0.00 N ATOM 594 CA TYR A 42 -12.487 0.276 13.682 1.00 0.00 C ATOM 595 C TYR A 42 -11.271 1.124 13.320 1.00 0.00 C ATOM 596 O TYR A 42 -11.381 2.101 12.580 1.00 0.00 O ATOM 597 CB TYR A 42 -12.901 -0.579 12.483 1.00 0.00 C ATOM 598 CG TYR A 42 -11.869 -1.612 12.090 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.733 -1.251 11.378 1.00 0.00 C ATOM 600 CD2 TYR A 42 -12.031 -2.949 12.433 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.788 -2.192 11.016 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.091 -3.896 12.077 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.971 -3.513 11.368 1.00 0.00 C ATOM 604 OH TYR A 42 -9.031 -4.453 11.011 1.00 0.00 O ATOM 0 H TYR A 42 -14.232 1.394 13.364 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.218 -0.379 14.511 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.839 -1.084 12.714 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.092 0.073 11.631 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.585 -0.217 11.102 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.907 -3.253 12.987 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.911 -1.895 10.460 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.232 -4.931 12.352 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.310 -5.334 11.336 1.00 0.00 H new ATOM 614 N GLU A 43 -10.112 0.741 13.848 1.00 0.00 N ATOM 615 CA GLU A 43 -8.876 1.466 13.581 1.00 0.00 C ATOM 616 C GLU A 43 -7.700 0.825 14.313 1.00 0.00 C ATOM 617 O GLU A 43 -7.869 0.085 15.283 1.00 0.00 O ATOM 618 CB GLU A 43 -9.015 2.930 14.002 1.00 0.00 C ATOM 619 CG GLU A 43 -9.898 3.131 15.222 1.00 0.00 C ATOM 620 CD GLU A 43 -9.645 4.457 15.914 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.947 5.309 15.327 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.146 4.641 17.043 1.00 0.00 O ATOM 0 H GLU A 43 -10.004 -0.066 14.462 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.684 1.421 12.509 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.025 3.335 14.210 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.425 3.502 13.169 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.944 3.076 14.921 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.726 2.318 15.928 1.00 0.00 H new ATOM 629 N PRO A 44 -6.479 1.114 13.839 1.00 0.00 N ATOM 630 CA PRO A 44 -6.266 1.993 12.685 1.00 0.00 C ATOM 631 C PRO A 44 -6.730 1.358 11.379 1.00 0.00 C ATOM 632 O PRO A 44 -7.165 0.206 11.357 1.00 0.00 O ATOM 633 CB PRO A 44 -4.749 2.197 12.671 1.00 0.00 C ATOM 634 CG PRO A 44 -4.198 0.993 13.353 1.00 0.00 C ATOM 635 CD PRO A 44 -5.213 0.605 14.392 1.00 0.00 C ATOM 0 HA PRO A 44 -6.834 2.919 12.768 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.371 2.283 11.652 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.468 3.111 13.194 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.037 0.182 12.643 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.234 1.211 13.812 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.244 -0.474 14.540 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.988 1.053 15.360 1.00 0.00 H new ATOM 643 N VAL A 45 -6.635 2.116 10.291 1.00 0.00 N ATOM 644 CA VAL A 45 -7.044 1.626 8.980 1.00 0.00 C ATOM 645 C VAL A 45 -5.879 1.651 7.997 1.00 0.00 C ATOM 646 O VAL A 45 -4.997 2.505 8.084 1.00 0.00 O ATOM 647 CB VAL A 45 -8.204 2.461 8.406 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.504 2.132 9.123 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.891 3.946 8.505 1.00 0.00 C ATOM 0 H VAL A 45 -6.278 3.072 10.292 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.379 0.598 9.116 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.325 2.208 7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.312 2.731 8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.733 1.074 8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.400 2.354 10.185 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.721 4.521 8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.743 4.218 9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.984 4.165 7.941 1.00 0.00 H new ATOM 659 N HIS A 46 -5.882 0.707 7.060 1.00 0.00 N ATOM 660 CA HIS A 46 -4.826 0.621 6.058 1.00 0.00 C ATOM 661 C HIS A 46 -5.338 1.060 4.690 1.00 0.00 C ATOM 662 O HIS A 46 -6.502 0.844 4.354 1.00 0.00 O ATOM 663 CB HIS A 46 -4.284 -0.807 5.979 1.00 0.00 C ATOM 664 CG HIS A 46 -3.891 -1.372 7.309 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.229 -0.640 8.272 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.071 -2.607 7.834 1.00 0.00 C ATOM 667 CE1 HIS A 46 -3.018 -1.401 9.332 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.519 -2.599 9.091 1.00 0.00 N ATOM 0 H HIS A 46 -6.604 -0.008 6.974 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.020 1.291 6.357 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.041 -1.450 5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.418 -0.822 5.317 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.558 -3.443 7.353 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.521 -1.095 10.241 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.499 -3.390 9.735 1.00 0.00 H new ATOM 676 N TRP A 47 -4.461 1.677 3.906 1.00 0.00 N ATOM 677 CA TRP A 47 -4.826 2.147 2.574 1.00 0.00 C ATOM 678 C TRP A 47 -3.722 1.839 1.567 1.00 0.00 C ATOM 679 O TRP A 47 -2.541 2.044 1.845 1.00 0.00 O ATOM 680 CB TRP A 47 -5.105 3.650 2.600 1.00 0.00 C ATOM 681 CG TRP A 47 -6.329 4.014 3.385 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.487 3.934 4.739 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.565 4.512 2.863 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.748 4.353 5.090 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.429 4.713 3.957 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.027 4.809 1.577 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.725 5.197 3.803 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.314 5.288 1.426 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.151 5.479 2.533 1.00 0.00 C ATOM 0 H TRP A 47 -3.493 1.863 4.169 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.730 1.622 2.265 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.243 4.165 3.025 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.218 4.009 1.577 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.732 3.592 5.432 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.117 4.390 6.040 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.389 4.666 0.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.372 5.345 4.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.681 5.519 0.437 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.152 5.856 2.382 1.00 0.00 H new ATOM 700 N PHE A 48 -4.115 1.347 0.397 1.00 0.00 N ATOM 701 CA PHE A 48 -3.158 1.011 -0.651 1.00 0.00 C ATOM 702 C PHE A 48 -3.624 1.542 -2.003 1.00 0.00 C ATOM 703 O PHE A 48 -4.794 1.886 -2.179 1.00 0.00 O ATOM 704 CB PHE A 48 -2.963 -0.505 -0.725 1.00 0.00 C ATOM 705 CG PHE A 48 -2.470 -1.109 0.559 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.345 -1.353 1.605 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.133 -1.433 0.719 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.895 -1.909 2.788 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.677 -1.990 1.899 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.559 -2.227 2.935 1.00 0.00 C ATOM 0 H PHE A 48 -5.089 1.172 0.151 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.206 1.481 -0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.909 -0.972 -0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.254 -0.734 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.391 -1.106 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.439 -1.248 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.587 -2.094 3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.368 -2.240 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.205 -2.660 3.859 1.00 0.00 H new ATOM 720 N LEU A 49 -2.701 1.606 -2.957 1.00 0.00 N ATOM 721 CA LEU A 49 -3.016 2.096 -4.294 1.00 0.00 C ATOM 722 C LEU A 49 -2.270 1.294 -5.357 1.00 0.00 C ATOM 723 O LEU A 49 -1.065 1.462 -5.543 1.00 0.00 O ATOM 724 CB LEU A 49 -2.658 3.578 -4.414 1.00 0.00 C ATOM 725 CG LEU A 49 -2.956 4.234 -5.762 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.778 4.069 -6.709 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.220 3.647 -6.373 1.00 0.00 C ATOM 0 H LEU A 49 -1.729 1.325 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.087 1.973 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.196 4.125 -3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.594 3.692 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.116 5.300 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.009 4.542 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.894 4.538 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.585 3.008 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.417 4.126 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.088 2.575 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.062 3.819 -5.702 1.00 0.00 H new ATOM 739 N ASP A 50 -2.995 0.425 -6.052 1.00 0.00 N ATOM 740 CA ASP A 50 -2.403 -0.400 -7.098 1.00 0.00 C ATOM 741 C ASP A 50 -1.430 -1.414 -6.505 1.00 0.00 C ATOM 742 O ASP A 50 -1.759 -2.590 -6.349 1.00 0.00 O ATOM 743 CB ASP A 50 -1.684 0.477 -8.124 1.00 0.00 C ATOM 744 CG ASP A 50 -2.398 0.509 -9.461 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.644 0.430 -9.469 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.710 0.613 -10.498 1.00 0.00 O ATOM 0 H ASP A 50 -3.994 0.274 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.206 -0.943 -7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.601 1.492 -7.735 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.669 0.106 -8.266 1.00 0.00 H new ATOM 751 N LYS A 51 -0.228 -0.951 -6.178 1.00 0.00 N ATOM 752 CA LYS A 51 0.795 -1.816 -5.602 1.00 0.00 C ATOM 753 C LYS A 51 1.729 -1.023 -4.693 1.00 0.00 C ATOM 754 O LYS A 51 2.942 -1.233 -4.697 1.00 0.00 O ATOM 755 CB LYS A 51 1.601 -2.496 -6.711 1.00 0.00 C ATOM 756 CG LYS A 51 0.745 -3.280 -7.690 1.00 0.00 C ATOM 757 CD LYS A 51 1.586 -3.894 -8.798 1.00 0.00 C ATOM 758 CE LYS A 51 0.990 -5.204 -9.289 1.00 0.00 C ATOM 759 NZ LYS A 51 2.022 -6.089 -9.898 1.00 0.00 N ATOM 0 H LYS A 51 0.062 0.019 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 51 0.296 -2.579 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.162 -1.738 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.330 -3.169 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.211 -4.067 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.007 -2.622 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.662 -3.193 -9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.599 -4.068 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.514 -5.721 -8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.211 -4.996 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.576 -6.972 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.459 -5.606 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.752 -6.308 -9.191 1.00 0.00 H new ATOM 773 N THR A 52 1.156 -0.112 -3.913 1.00 0.00 N ATOM 774 CA THR A 52 1.937 0.712 -2.999 1.00 0.00 C ATOM 775 C THR A 52 1.106 1.136 -1.794 1.00 0.00 C ATOM 776 O THR A 52 -0.028 1.598 -1.923 1.00 0.00 O ATOM 777 CB THR A 52 2.481 1.970 -3.702 1.00 0.00 C ATOM 778 OG1 THR A 52 3.156 1.603 -4.910 1.00 0.00 O ATOM 779 CG2 THR A 52 3.435 2.729 -2.792 1.00 0.00 C ATOM 0 H THR A 52 0.153 0.074 -3.896 1.00 0.00 H new ATOM 0 HA THR A 52 2.775 0.102 -2.662 1.00 0.00 H new ATOM 0 HB THR A 52 1.638 2.619 -3.940 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.497 2.408 -5.352 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.806 3.613 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.910 3.033 -1.887 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.274 2.086 -2.526 1.00 0.00 H new ATOM 787 N PRO A 53 1.680 0.978 -0.592 1.00 0.00 N ATOM 788 CA PRO A 53 1.009 1.340 0.660 1.00 0.00 C ATOM 789 C PRO A 53 0.859 2.849 0.822 1.00 0.00 C ATOM 790 O PRO A 53 1.571 3.626 0.184 1.00 0.00 O ATOM 791 CB PRO A 53 1.939 0.776 1.737 1.00 0.00 C ATOM 792 CG PRO A 53 3.280 0.726 1.090 1.00 0.00 C ATOM 793 CD PRO A 53 3.029 0.433 -0.363 1.00 0.00 C ATOM 0 HA PRO A 53 -0.007 0.947 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.950 1.411 2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.617 -0.214 2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.807 1.672 1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.903 -0.046 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.770 0.912 -1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.071 -0.636 -0.571 1.00 0.00 H new ATOM 801 N LEU A 54 -0.070 3.258 1.678 1.00 0.00 N ATOM 802 CA LEU A 54 -0.313 4.675 1.925 1.00 0.00 C ATOM 803 C LEU A 54 -0.450 4.952 3.418 1.00 0.00 C ATOM 804 O LEU A 54 -1.189 4.264 4.123 1.00 0.00 O ATOM 805 CB LEU A 54 -1.576 5.131 1.192 1.00 0.00 C ATOM 806 CG LEU A 54 -1.567 4.965 -0.328 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.984 4.810 -0.857 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.875 6.148 -0.990 1.00 0.00 C ATOM 0 H LEU A 54 -0.668 2.628 2.213 1.00 0.00 H new ATOM 0 HA LEU A 54 0.542 5.236 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.425 4.577 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.745 6.183 1.422 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.010 4.061 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.957 4.693 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.446 3.930 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.566 5.695 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.878 6.013 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.404 7.067 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.154 6.213 -0.635 1.00 0.00 H new ATOM 820 N HIS A 55 0.266 5.966 3.895 1.00 0.00 N ATOM 821 CA HIS A 55 0.222 6.337 5.305 1.00 0.00 C ATOM 822 C HIS A 55 0.133 7.851 5.466 1.00 0.00 C ATOM 823 O HIS A 55 0.742 8.603 4.705 1.00 0.00 O ATOM 824 CB HIS A 55 1.458 5.807 6.032 1.00 0.00 C ATOM 825 CG HIS A 55 1.766 4.374 5.723 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.001 3.323 6.185 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.762 3.820 4.992 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.515 2.185 5.753 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.583 2.459 5.026 1.00 0.00 N ATOM 0 H HIS A 55 0.883 6.545 3.326 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.669 5.890 5.745 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.318 6.421 5.764 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.312 5.915 7.107 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.550 4.350 4.478 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.128 1.198 5.959 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.178 1.771 4.565 1.00 0.00 H new ATOM 837 N ALA A 56 -0.631 8.292 6.461 1.00 0.00 N ATOM 838 CA ALA A 56 -0.798 9.716 6.722 1.00 0.00 C ATOM 839 C ALA A 56 0.552 10.411 6.861 1.00 0.00 C ATOM 840 O ALA A 56 1.465 9.892 7.501 1.00 0.00 O ATOM 841 CB ALA A 56 -1.635 9.928 7.975 1.00 0.00 C ATOM 0 H ALA A 56 -1.144 7.683 7.099 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.318 10.158 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.752 10.996 8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.616 9.474 7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.137 9.466 8.828 1.00 0.00 H new ATOM 847 N ASN A 57 0.671 11.589 6.257 1.00 0.00 N ATOM 848 CA ASN A 57 1.911 12.355 6.313 1.00 0.00 C ATOM 849 C ASN A 57 1.675 13.803 5.895 1.00 0.00 C ATOM 850 O ASN A 57 0.534 14.239 5.751 1.00 0.00 O ATOM 851 CB ASN A 57 2.970 11.718 5.410 1.00 0.00 C ATOM 852 CG ASN A 57 4.348 11.722 6.043 1.00 0.00 C ATOM 853 OD1 ASN A 57 4.482 11.648 7.264 1.00 0.00 O ATOM 854 ND2 ASN A 57 5.380 11.809 5.212 1.00 0.00 N ATOM 0 H ASN A 57 -0.076 12.034 5.723 1.00 0.00 H new ATOM 0 HA ASN A 57 2.268 12.346 7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.680 10.692 5.183 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.007 12.256 4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.331 11.816 5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.221 11.868 4.206 1.00 0.00 H new ATOM 861 N GLU A 58 2.763 14.542 5.701 1.00 0.00 N ATOM 862 CA GLU A 58 2.674 15.941 5.300 1.00 0.00 C ATOM 863 C GLU A 58 1.777 16.100 4.075 1.00 0.00 C ATOM 864 O GLU A 58 1.129 17.132 3.896 1.00 0.00 O ATOM 865 CB GLU A 58 4.067 16.499 5.001 1.00 0.00 C ATOM 866 CG GLU A 58 4.050 17.911 4.442 1.00 0.00 C ATOM 867 CD GLU A 58 4.957 18.854 5.209 1.00 0.00 C ATOM 868 OE1 GLU A 58 6.175 18.862 4.931 1.00 0.00 O ATOM 869 OE2 GLU A 58 4.450 19.582 6.088 1.00 0.00 O ATOM 0 H GLU A 58 3.715 14.195 5.815 1.00 0.00 H new ATOM 0 HA GLU A 58 2.236 16.501 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.658 16.487 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.567 15.842 4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.358 17.887 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.030 18.295 4.466 1.00 0.00 H new ATOM 876 N LEU A 59 1.746 15.071 3.235 1.00 0.00 N ATOM 877 CA LEU A 59 0.929 15.095 2.027 1.00 0.00 C ATOM 878 C LEU A 59 -0.306 14.216 2.187 1.00 0.00 C ATOM 879 O LEU A 59 -1.426 14.645 1.911 1.00 0.00 O ATOM 880 CB LEU A 59 1.750 14.628 0.824 1.00 0.00 C ATOM 881 CG LEU A 59 3.030 15.414 0.537 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.780 14.804 -0.637 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.707 16.876 0.264 1.00 0.00 C ATOM 0 H LEU A 59 2.277 14.210 3.368 1.00 0.00 H new ATOM 0 HA LEU A 59 0.602 16.121 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.016 13.582 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.116 14.670 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 59 3.671 15.362 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.688 15.377 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.044 13.772 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.147 14.825 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.629 17.421 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.046 16.947 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.214 17.308 1.135 1.00 0.00 H new ATOM 895 N ASN A 60 -0.095 12.983 2.636 1.00 0.00 N ATOM 896 CA ASN A 60 -1.192 12.043 2.834 1.00 0.00 C ATOM 897 C ASN A 60 -2.081 12.481 3.994 1.00 0.00 C ATOM 898 O ASN A 60 -1.589 12.911 5.037 1.00 0.00 O ATOM 899 CB ASN A 60 -0.646 10.638 3.098 1.00 0.00 C ATOM 900 CG ASN A 60 0.522 10.293 2.195 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.640 10.766 2.399 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.267 9.464 1.189 1.00 0.00 N ATOM 0 H ASN A 60 0.826 12.612 2.870 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.793 12.027 1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.332 10.563 4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.442 9.908 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.013 9.195 0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.675 9.096 1.058 1.00 0.00 H new ATOM 909 N GLU A 61 -3.391 12.369 3.804 1.00 0.00 N ATOM 910 CA GLU A 61 -4.348 12.754 4.835 1.00 0.00 C ATOM 911 C GLU A 61 -5.400 11.667 5.034 1.00 0.00 C ATOM 912 O GLU A 61 -6.049 11.233 4.082 1.00 0.00 O ATOM 913 CB GLU A 61 -5.028 14.074 4.463 1.00 0.00 C ATOM 914 CG GLU A 61 -4.688 15.219 5.403 1.00 0.00 C ATOM 915 CD GLU A 61 -3.203 15.314 5.692 1.00 0.00 C ATOM 916 OE1 GLU A 61 -2.449 15.738 4.791 1.00 0.00 O ATOM 917 OE2 GLU A 61 -2.794 14.966 6.820 1.00 0.00 O ATOM 0 H GLU A 61 -3.814 12.015 2.946 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.803 12.884 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.738 14.349 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.108 13.928 4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.030 16.157 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.229 15.088 6.340 1.00 0.00 H new ATOM 924 N ILE A 62 -5.562 11.230 6.279 1.00 0.00 N ATOM 925 CA ILE A 62 -6.534 10.194 6.604 1.00 0.00 C ATOM 926 C ILE A 62 -7.367 10.584 7.821 1.00 0.00 C ATOM 927 O ILE A 62 -6.867 10.606 8.946 1.00 0.00 O ATOM 928 CB ILE A 62 -5.847 8.843 6.878 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.064 8.386 5.645 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.877 7.796 7.276 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.655 7.935 5.958 1.00 0.00 C ATOM 0 H ILE A 62 -5.033 11.578 7.079 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.187 10.091 5.737 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.147 8.968 7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.601 7.567 5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.024 9.204 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.376 6.847 7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.395 8.120 8.178 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.598 7.670 6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.159 7.625 5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.101 8.758 6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.687 7.096 6.653 1.00 0.00 H new ATOM 943 N ASP A 63 -8.638 10.889 7.588 1.00 0.00 N ATOM 944 CA ASP A 63 -9.542 11.275 8.665 1.00 0.00 C ATOM 945 C ASP A 63 -10.366 10.081 9.137 1.00 0.00 C ATOM 946 O ASP A 63 -10.198 8.965 8.646 1.00 0.00 O ATOM 947 CB ASP A 63 -10.470 12.400 8.203 1.00 0.00 C ATOM 948 CG ASP A 63 -10.318 13.656 9.038 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.172 14.126 9.200 1.00 0.00 O ATOM 950 OD2 ASP A 63 -11.344 14.168 9.532 1.00 0.00 O ATOM 0 H ASP A 63 -9.066 10.877 6.662 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.940 11.632 9.501 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.261 12.634 7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.504 12.058 8.252 1.00 0.00 H new ATOM 955 N ALA A 64 -11.255 10.324 10.095 1.00 0.00 N ATOM 956 CA ALA A 64 -12.106 9.270 10.633 1.00 0.00 C ATOM 957 C ALA A 64 -13.473 9.816 11.030 1.00 0.00 C ATOM 958 O ALA A 64 -13.798 9.897 12.215 1.00 0.00 O ATOM 959 CB ALA A 64 -11.433 8.606 11.825 1.00 0.00 C ATOM 0 H ALA A 64 -11.404 11.242 10.514 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.256 8.524 9.852 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.079 7.821 12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.484 8.172 11.511 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.253 9.349 12.602 1.00 0.00 H new ATOM 965 N GLN A 65 -14.268 10.190 10.034 1.00 0.00 N ATOM 966 CA GLN A 65 -15.600 10.730 10.281 1.00 0.00 C ATOM 967 C GLN A 65 -16.426 9.774 11.135 1.00 0.00 C ATOM 968 O GLN A 65 -16.130 8.583 11.238 1.00 0.00 O ATOM 969 CB GLN A 65 -16.318 11.001 8.958 1.00 0.00 C ATOM 970 CG GLN A 65 -16.075 12.398 8.408 1.00 0.00 C ATOM 971 CD GLN A 65 -16.756 12.626 7.074 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.809 12.051 6.794 1.00 0.00 O ATOM 973 NE2 GLN A 65 -16.158 13.469 6.240 1.00 0.00 N ATOM 0 H GLN A 65 -14.014 10.129 9.048 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.488 11.669 10.824 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.992 10.268 8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.389 10.857 9.099 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.435 13.135 9.126 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.003 12.559 8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.287 13.924 6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.570 13.662 5.327 1.00 0.00 H new ATOM 982 N PRO A 66 -17.486 10.304 11.762 1.00 0.00 N ATOM 983 CA PRO A 66 -18.376 9.515 12.618 1.00 0.00 C ATOM 984 C PRO A 66 -19.219 8.526 11.821 1.00 0.00 C ATOM 985 O PRO A 66 -19.742 8.857 10.757 1.00 0.00 O ATOM 986 CB PRO A 66 -19.268 10.572 13.273 1.00 0.00 C ATOM 987 CG PRO A 66 -19.259 11.718 12.321 1.00 0.00 C ATOM 988 CD PRO A 66 -17.897 11.716 11.684 1.00 0.00 C ATOM 0 HA PRO A 66 -17.821 8.905 13.331 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.279 10.195 13.429 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.883 10.865 14.249 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.041 11.608 11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.446 12.658 12.840 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.935 12.067 10.653 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.203 12.366 12.217 1.00 0.00 H new ATOM 996 N GLY A 67 -19.348 7.309 12.342 1.00 0.00 N ATOM 997 CA GLY A 67 -20.130 6.291 11.665 1.00 0.00 C ATOM 998 C GLY A 67 -19.271 5.354 10.839 1.00 0.00 C ATOM 999 O GLY A 67 -19.767 4.673 9.943 1.00 0.00 O ATOM 0 H GLY A 67 -18.925 7.010 13.221 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.686 5.713 12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.864 6.771 11.018 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.976 5.320 11.141 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.066 4.458 10.409 1.00 0.00 C ATOM 1005 C GLY A 68 -16.771 4.976 9.016 1.00 0.00 C ATOM 1006 O GLY A 68 -16.591 4.196 8.081 1.00 0.00 O ATOM 0 H GLY A 68 -17.541 5.874 11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.132 4.366 10.964 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.495 3.459 10.338 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.722 6.296 8.875 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.450 6.918 7.585 1.00 0.00 C ATOM 1012 C TYR A 69 -14.992 7.356 7.487 1.00 0.00 C ATOM 1013 O TYR A 69 -14.626 8.443 7.933 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.370 8.122 7.371 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.686 7.769 6.715 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -18.784 7.638 5.336 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -19.831 7.565 7.475 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -19.984 7.316 4.732 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -21.035 7.242 6.881 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.107 7.119 5.509 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.304 6.798 4.911 1.00 0.00 O ATOM 0 H TYR A 69 -16.867 6.956 9.639 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.642 6.179 6.807 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.568 8.593 8.334 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.853 8.859 6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -17.907 7.791 4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -19.778 7.661 8.549 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -20.043 7.219 3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -21.915 7.087 7.487 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.995 6.692 5.598 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.162 6.499 6.899 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.743 6.796 6.740 1.00 0.00 C ATOM 1033 C HIS A 70 -12.486 7.533 5.429 1.00 0.00 C ATOM 1034 O HIS A 70 -12.598 6.955 4.348 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.923 5.507 6.784 1.00 0.00 C ATOM 1036 CG HIS A 70 -11.978 4.807 8.107 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.227 5.196 9.196 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.701 3.737 8.513 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.485 4.395 10.215 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.377 3.502 9.827 1.00 0.00 N ATOM 0 H HIS A 70 -14.448 5.594 6.525 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.437 7.440 7.564 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.283 4.830 6.009 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.884 5.739 6.548 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.402 3.173 7.915 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.042 4.460 11.198 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.763 2.758 10.409 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.140 8.812 5.532 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.866 9.628 4.355 1.00 0.00 C ATOM 1050 C VAL A 71 -10.367 9.734 4.097 1.00 0.00 C ATOM 1051 O VAL A 71 -9.584 9.980 5.016 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.452 11.044 4.505 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.316 11.819 3.203 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.907 10.974 4.943 1.00 0.00 C ATOM 0 H VAL A 71 -12.043 9.306 6.419 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.343 9.134 3.509 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.889 11.572 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.736 12.817 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.262 11.899 2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.853 11.297 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.305 11.983 5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.486 10.429 4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.974 10.460 5.902 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.974 9.549 2.842 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.568 9.625 2.461 1.00 0.00 C ATOM 1066 C LEU A 72 -8.336 10.748 1.456 1.00 0.00 C ATOM 1067 O LEU A 72 -8.800 10.684 0.317 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.107 8.292 1.870 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.673 8.254 1.338 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.707 7.840 2.438 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.569 7.308 0.151 1.00 0.00 C ATOM 0 H LEU A 72 -10.609 9.345 2.070 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.985 9.839 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.210 7.523 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.782 8.025 1.057 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.403 9.256 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.692 7.818 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.761 8.556 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.975 6.849 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.542 7.294 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.858 6.303 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.232 7.648 -0.644 1.00 0.00 H new ATOM 1083 N THR A 73 -7.612 11.778 1.884 1.00 0.00 N ATOM 1084 CA THR A 73 -7.317 12.916 1.022 1.00 0.00 C ATOM 1085 C THR A 73 -5.854 12.916 0.593 1.00 0.00 C ATOM 1086 O THR A 73 -5.006 13.530 1.242 1.00 0.00 O ATOM 1087 CB THR A 73 -7.634 14.250 1.723 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.801 14.107 2.542 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.856 15.357 0.704 1.00 0.00 C ATOM 0 H THR A 73 -7.219 11.847 2.823 1.00 0.00 H new ATOM 0 HA THR A 73 -7.952 12.817 0.141 1.00 0.00 H new ATOM 0 HB THR A 73 -6.782 14.519 2.348 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.995 14.959 2.986 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.078 16.290 1.223 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.956 15.482 0.101 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.693 15.093 0.057 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.563 12.224 -0.503 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.201 12.145 -1.019 1.00 0.00 C ATOM 1099 C LEU A 74 -3.797 13.452 -1.693 1.00 0.00 C ATOM 1100 O LEU A 74 -4.112 13.682 -2.861 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.077 10.986 -2.010 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.875 9.599 -1.400 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.211 8.516 -2.413 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.447 9.439 -0.900 1.00 0.00 C ATOM 0 H LEU A 74 -6.252 11.710 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.530 11.970 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.977 10.963 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.240 11.193 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.550 9.495 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.061 7.536 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.251 8.618 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.562 8.617 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.322 8.446 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.754 9.564 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.241 10.193 -0.140 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.097 14.303 -0.951 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.650 15.587 -1.477 1.00 0.00 C ATOM 1118 C ARG A 75 -1.381 15.421 -2.309 1.00 0.00 C ATOM 1119 O ARG A 75 -0.582 14.517 -2.064 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.398 16.571 -0.334 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.545 16.658 0.659 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.389 17.851 1.589 1.00 0.00 C ATOM 1123 NE ARG A 75 -3.792 19.101 0.949 1.00 0.00 N ATOM 1124 CZ ARG A 75 -3.544 20.302 1.460 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -2.897 20.415 2.612 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -3.943 21.392 0.818 1.00 0.00 N ATOM 0 H ARG A 75 -2.827 14.127 0.017 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.437 15.982 -2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.492 16.276 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.215 17.561 -0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.489 16.737 0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.589 15.741 1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.989 17.693 2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.350 17.927 1.910 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.291 19.049 0.061 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.589 19.579 3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.708 21.338 3.002 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.441 21.308 -0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.752 22.314 1.211 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.204 16.299 -3.291 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.033 16.248 -4.158 1.00 0.00 C ATOM 1142 C GLN A 76 0.096 14.879 -4.819 1.00 0.00 C ATOM 1143 O GLN A 76 0.994 14.102 -4.492 1.00 0.00 O ATOM 1144 CB GLN A 76 1.233 16.563 -3.360 1.00 0.00 C ATOM 1145 CG GLN A 76 1.333 18.017 -2.928 1.00 0.00 C ATOM 1146 CD GLN A 76 2.739 18.570 -3.059 1.00 0.00 C ATOM 1147 OE1 GLN A 76 2.939 19.672 -3.570 1.00 0.00 O ATOM 1148 NE2 GLN A 76 3.721 17.805 -2.597 1.00 0.00 N ATOM 0 H GLN A 76 -1.856 17.053 -3.506 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.158 16.998 -4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.263 15.927 -2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.105 16.311 -3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.653 18.619 -3.531 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.006 18.107 -1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.508 16.898 -2.181 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.688 18.124 -2.658 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.807 14.590 -5.749 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.795 13.314 -6.457 1.00 0.00 C ATOM 1159 C LEU A 77 0.028 13.409 -7.738 1.00 0.00 C ATOM 1160 O LEU A 77 0.572 14.465 -8.060 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.223 12.877 -6.786 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.006 12.226 -5.645 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.502 12.337 -5.892 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.597 10.769 -5.481 1.00 0.00 C ATOM 0 H LEU A 77 -1.557 15.221 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.335 12.570 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.779 13.750 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.184 12.176 -7.619 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.771 12.755 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.042 11.868 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.783 13.388 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.755 11.834 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.164 10.322 -4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.802 10.227 -6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.532 10.713 -5.256 1.00 0.00 H new ATOM 1176 N ALA A 78 0.111 12.300 -8.465 1.00 0.00 N ATOM 1177 CA ALA A 78 0.863 12.260 -9.713 1.00 0.00 C ATOM 1178 C ALA A 78 0.178 11.363 -10.738 1.00 0.00 C ATOM 1179 O ALA A 78 -0.597 10.474 -10.382 1.00 0.00 O ATOM 1180 CB ALA A 78 2.285 11.782 -9.457 1.00 0.00 C ATOM 0 H ALA A 78 -0.333 11.417 -8.211 1.00 0.00 H new ATOM 0 HA ALA A 78 0.899 13.271 -10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.835 11.757 -10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.779 12.464 -8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.260 10.782 -9.024 1.00 0.00 H new ATOM 1186 N LEU A 79 0.467 11.602 -12.013 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.123 10.815 -13.091 1.00 0.00 C ATOM 1188 C LEU A 79 0.214 9.336 -12.933 1.00 0.00 C ATOM 1189 O LEU A 79 -0.444 8.473 -13.514 1.00 0.00 O ATOM 1190 CB LEU A 79 0.373 11.321 -14.447 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.165 12.680 -14.894 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.613 13.193 -16.097 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.649 12.587 -15.217 1.00 0.00 C ATOM 0 H LEU A 79 1.106 12.334 -12.325 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.206 10.929 -13.041 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.461 11.376 -14.416 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.113 10.582 -15.205 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.036 13.387 -14.075 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.216 14.161 -16.401 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.665 13.299 -15.832 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.516 12.486 -16.921 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.014 13.564 -15.533 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.802 11.865 -16.019 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.195 12.265 -14.330 1.00 0.00 H new ATOM 1205 N LYS A 80 1.241 9.050 -12.141 1.00 0.00 N ATOM 1206 CA LYS A 80 1.664 7.675 -11.902 1.00 0.00 C ATOM 1207 C LYS A 80 0.937 7.083 -10.698 1.00 0.00 C ATOM 1208 O LYS A 80 1.315 6.027 -10.191 1.00 0.00 O ATOM 1209 CB LYS A 80 3.177 7.616 -11.677 1.00 0.00 C ATOM 1210 CG LYS A 80 3.660 8.519 -10.555 1.00 0.00 C ATOM 1211 CD LYS A 80 4.555 9.630 -11.080 1.00 0.00 C ATOM 1212 CE LYS A 80 5.284 10.339 -9.949 1.00 0.00 C ATOM 1213 NZ LYS A 80 5.619 11.747 -10.301 1.00 0.00 N ATOM 0 H LYS A 80 1.797 9.753 -11.653 1.00 0.00 H new ATOM 0 HA LYS A 80 1.411 7.086 -12.783 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.463 6.588 -11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.685 7.895 -12.601 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.802 8.953 -10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.206 7.928 -9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.281 9.214 -11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.955 10.350 -11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.663 10.327 -9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.199 9.797 -9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.746 12.302 -9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.499 11.766 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.846 12.157 -10.863 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.107 7.770 -10.247 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.888 7.311 -9.105 1.00 0.00 C ATOM 1229 C ASP A 81 -2.243 6.773 -9.554 1.00 0.00 C ATOM 1230 O ASP A 81 -2.948 6.119 -8.785 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.085 8.450 -8.103 1.00 0.00 C ATOM 1232 CG ASP A 81 -2.454 9.092 -8.218 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -3.440 8.467 -7.777 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.538 10.219 -8.750 1.00 0.00 O ATOM 0 H ASP A 81 -0.432 8.647 -10.655 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.338 6.503 -8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.950 8.067 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.317 9.207 -8.262 1.00 0.00 H new ATOM 1239 N SER A 82 -2.601 7.052 -10.803 1.00 0.00 N ATOM 1240 CA SER A 82 -3.873 6.601 -11.353 1.00 0.00 C ATOM 1241 C SER A 82 -3.949 5.077 -11.367 1.00 0.00 C ATOM 1242 O SER A 82 -3.346 4.422 -12.216 1.00 0.00 O ATOM 1243 CB SER A 82 -4.062 7.145 -12.771 1.00 0.00 C ATOM 1244 OG SER A 82 -3.290 8.315 -12.975 1.00 0.00 O ATOM 0 H SER A 82 -2.027 7.589 -11.453 1.00 0.00 H new ATOM 0 HA SER A 82 -4.671 6.982 -10.716 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.774 6.385 -13.497 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.116 7.366 -12.942 1.00 0.00 H new ATOM 0 HG SER A 82 -2.396 8.066 -13.291 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.695 4.519 -10.418 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.836 3.077 -10.338 1.00 0.00 C ATOM 1252 C GLY A 83 -6.137 2.658 -9.682 1.00 0.00 C ATOM 1253 O GLY A 83 -7.218 2.879 -10.229 1.00 0.00 O ATOM 0 H GLY A 83 -5.204 5.040 -9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.786 2.654 -11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.999 2.664 -9.775 1.00 0.00 H new ATOM 1257 N THR A 84 -6.035 2.047 -8.505 1.00 0.00 N ATOM 1258 CA THR A 84 -7.211 1.593 -7.775 1.00 0.00 C ATOM 1259 C THR A 84 -6.930 1.503 -6.279 1.00 0.00 C ATOM 1260 O THR A 84 -6.073 0.733 -5.845 1.00 0.00 O ATOM 1261 CB THR A 84 -7.689 0.218 -8.279 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.850 0.247 -9.702 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.005 -0.172 -7.622 1.00 0.00 C ATOM 0 H THR A 84 -5.149 1.856 -8.038 1.00 0.00 H new ATOM 0 HA THR A 84 -7.995 2.329 -7.951 1.00 0.00 H new ATOM 0 HB THR A 84 -6.936 -0.524 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.153 -0.631 -10.015 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.322 -1.146 -7.994 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.872 -0.222 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.765 0.572 -7.860 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.656 2.294 -5.497 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.484 2.302 -4.049 1.00 0.00 C ATOM 1273 C ILE A 85 -7.911 0.972 -3.438 1.00 0.00 C ATOM 1274 O ILE A 85 -9.051 0.537 -3.605 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.291 3.438 -3.393 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.850 4.793 -3.949 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.125 3.400 -1.881 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.421 5.151 -3.607 1.00 0.00 C ATOM 0 H ILE A 85 -8.369 2.938 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.423 2.463 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.346 3.297 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.965 4.786 -5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.512 5.568 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.701 4.209 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.483 2.444 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.072 3.520 -1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.178 6.124 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.305 5.190 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.749 4.397 -4.017 1.00 0.00 H new ATOM 1290 N TYR A 86 -6.989 0.330 -2.729 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.269 -0.952 -2.093 1.00 0.00 C ATOM 1292 C TYR A 86 -7.311 -0.809 -0.575 1.00 0.00 C ATOM 1293 O TYR A 86 -6.303 -1.000 0.107 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.212 -1.984 -2.490 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.459 -2.614 -3.842 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.449 -3.575 -4.012 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.703 -2.250 -4.949 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.678 -4.154 -5.245 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.926 -2.823 -6.186 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.914 -3.775 -6.329 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.139 -4.349 -7.559 1.00 0.00 O ATOM 0 H TYR A 86 -6.041 0.676 -2.580 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.246 -1.293 -2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.233 -1.505 -2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.180 -2.768 -1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.049 -3.874 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.927 -1.506 -4.841 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.451 -4.899 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.330 -2.527 -7.037 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.517 -3.971 -8.215 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.484 -0.471 -0.051 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.660 -0.301 1.387 1.00 0.00 C ATOM 1313 C PHE A 87 -8.577 -1.644 2.107 1.00 0.00 C ATOM 1314 O PHE A 87 -8.938 -2.681 1.550 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.004 0.367 1.683 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.266 0.563 3.149 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.650 1.592 3.844 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.128 -0.280 3.831 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -9.889 1.773 5.194 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.371 -0.103 5.180 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.752 0.926 5.862 1.00 0.00 C ATOM 0 H PHE A 87 -9.328 -0.309 -0.601 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.857 0.338 1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.037 1.335 1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.804 -0.239 1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.977 2.259 3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.616 -1.085 3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.401 2.576 5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.044 -0.769 5.700 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.942 1.068 6.916 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.100 -1.616 3.347 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.969 -2.831 4.143 1.00 0.00 C ATOM 1333 C GLU A 88 -8.505 -2.616 5.555 1.00 0.00 C ATOM 1334 O GLU A 88 -8.214 -1.605 6.194 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.505 -3.273 4.202 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.150 -4.340 3.181 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.676 -4.697 3.198 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.073 -4.670 4.291 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.126 -5.002 2.120 1.00 0.00 O ATOM 0 H GLU A 88 -7.798 -0.766 3.822 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.558 -3.614 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.865 -2.404 4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.289 -3.652 5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.739 -5.236 3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.424 -3.990 2.186 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.289 -3.575 6.036 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.864 -3.493 7.373 1.00 0.00 C ATOM 1348 C ALA A 89 -10.428 -4.840 7.812 1.00 0.00 C ATOM 1349 O ALA A 89 -11.545 -5.205 7.447 1.00 0.00 O ATOM 1350 CB ALA A 89 -10.947 -2.426 7.417 1.00 0.00 C ATOM 0 H ALA A 89 -9.541 -4.418 5.520 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.070 -3.218 8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.368 -2.376 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.516 -1.460 7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.734 -2.677 6.706 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.647 -5.577 8.596 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.086 -6.876 9.071 1.00 0.00 C ATOM 1358 C GLY A 90 -9.969 -7.951 8.009 1.00 0.00 C ATOM 1359 O GLY A 90 -8.866 -8.298 7.586 1.00 0.00 O ATOM 0 H GLY A 90 -8.718 -5.297 8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.493 -7.161 9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.122 -6.807 9.402 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.109 -8.480 7.577 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.130 -9.523 6.558 1.00 0.00 C ATOM 1365 C ASP A 91 -11.813 -9.027 5.287 1.00 0.00 C ATOM 1366 O ASP A 91 -12.266 -9.823 4.465 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.846 -10.767 7.085 1.00 0.00 C ATOM 1368 CG ASP A 91 -11.094 -11.431 8.221 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -10.937 -10.792 9.283 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -10.662 -12.590 8.050 1.00 0.00 O ATOM 0 H ASP A 91 -12.030 -8.204 7.917 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.099 -9.782 6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.844 -10.491 7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.974 -11.481 6.271 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.885 -7.709 5.136 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.515 -7.108 3.966 1.00 0.00 C ATOM 1377 C GLN A 92 -11.503 -6.304 3.155 1.00 0.00 C ATOM 1378 O GLN A 92 -10.361 -6.121 3.576 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.676 -6.208 4.392 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.854 -6.970 4.976 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.589 -7.794 3.937 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.314 -7.254 3.100 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.407 -9.108 3.985 1.00 0.00 N ATOM 0 H GLN A 92 -11.515 -7.037 5.808 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.899 -7.912 3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.317 -5.490 5.130 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -14.016 -5.635 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.499 -7.627 5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.548 -6.264 5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.797 -9.513 4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.877 -9.713 3.311 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.931 -5.827 1.991 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.062 -5.044 1.121 1.00 0.00 C ATOM 1394 C ARG A 93 -11.877 -4.294 0.071 1.00 0.00 C ATOM 1395 O ARG A 93 -12.560 -4.903 -0.751 1.00 0.00 O ATOM 1396 CB ARG A 93 -10.039 -5.952 0.435 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.839 -5.204 -0.123 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.881 -6.144 -0.838 1.00 0.00 C ATOM 1399 NE ARG A 93 -8.464 -6.696 -2.057 1.00 0.00 N ATOM 1400 CZ ARG A 93 -9.136 -7.841 -2.098 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -9.310 -8.551 -0.991 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -9.637 -8.278 -3.246 1.00 0.00 N ATOM 0 H ARG A 93 -12.874 -5.969 1.629 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.535 -4.315 1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.691 -6.698 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.530 -6.491 -0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.179 -4.433 -0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.316 -4.697 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.964 -5.608 -1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.604 -6.958 -0.168 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.349 -6.174 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.927 -8.218 -0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.826 -9.430 -1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.506 -7.734 -4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.153 -9.158 -3.275 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.799 -2.967 0.106 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.528 -2.134 -0.842 1.00 0.00 C ATOM 1418 C ALA A 94 -11.723 -1.925 -2.120 1.00 0.00 C ATOM 1419 O ALA A 94 -10.522 -2.193 -2.160 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.876 -0.795 -0.210 1.00 0.00 C ATOM 0 H ALA A 94 -11.238 -2.447 0.781 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.452 -2.649 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.420 -0.183 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.497 -0.959 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.960 -0.282 0.083 1.00 0.00 H new ATOM 1426 N SER A 95 -12.392 -1.445 -3.163 1.00 0.00 N ATOM 1427 CA SER A 95 -11.739 -1.204 -4.445 1.00 0.00 C ATOM 1428 C SER A 95 -12.445 -0.090 -5.213 1.00 0.00 C ATOM 1429 O SER A 95 -13.609 -0.221 -5.588 1.00 0.00 O ATOM 1430 CB SER A 95 -11.723 -2.484 -5.282 1.00 0.00 C ATOM 1431 OG SER A 95 -13.039 -2.913 -5.584 1.00 0.00 O ATOM 0 H SER A 95 -13.386 -1.215 -3.146 1.00 0.00 H new ATOM 0 HA SER A 95 -10.713 -0.894 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.173 -2.311 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.196 -3.270 -4.740 1.00 0.00 H new ATOM 0 HG SER A 95 -13.644 -2.142 -5.579 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.730 1.006 -5.443 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.285 2.142 -6.168 1.00 0.00 C ATOM 1439 C ALA A 96 -11.366 2.569 -7.308 1.00 0.00 C ATOM 1440 O ALA A 96 -10.143 2.549 -7.173 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.526 3.307 -5.219 1.00 0.00 C ATOM 0 H ALA A 96 -10.765 1.131 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.238 1.835 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.941 4.149 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.227 3.004 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.583 3.604 -4.761 1.00 0.00 H new ATOM 1447 N ALA A 97 -11.964 2.953 -8.431 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.199 3.385 -9.594 1.00 0.00 C ATOM 1449 C ALA A 97 -10.581 4.760 -9.365 1.00 0.00 C ATOM 1450 O ALA A 97 -11.268 5.780 -9.433 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.084 3.401 -10.832 1.00 0.00 C ATOM 0 H ALA A 97 -12.976 2.974 -8.560 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.389 2.673 -9.750 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.500 3.726 -11.693 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.473 2.399 -11.014 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.914 4.090 -10.677 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.281 4.781 -9.092 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.570 6.032 -8.852 1.00 0.00 C ATOM 1459 C LEU A 98 -8.013 6.600 -10.153 1.00 0.00 C ATOM 1460 O LEU A 98 -6.928 6.220 -10.593 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.435 5.812 -7.850 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.373 6.910 -7.788 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -7.024 8.276 -7.634 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.401 6.649 -6.647 1.00 0.00 C ATOM 0 H LEU A 98 -8.698 3.946 -9.031 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.278 6.750 -8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.870 5.699 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.942 4.870 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.814 6.900 -8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.252 9.044 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.678 8.465 -8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.609 8.299 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.652 7.441 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.945 6.630 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.908 5.689 -6.801 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.761 7.514 -10.763 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.341 8.135 -12.013 1.00 0.00 C ATOM 1478 C ARG A 99 -7.678 9.485 -11.753 1.00 0.00 C ATOM 1479 O ARG A 99 -8.196 10.307 -10.998 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.540 8.315 -12.946 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.151 7.003 -13.412 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.346 7.238 -14.322 1.00 0.00 C ATOM 1483 NE ARG A 99 -11.828 5.997 -14.923 1.00 0.00 N ATOM 1484 CZ ARG A 99 -11.211 5.376 -15.922 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -10.094 5.877 -16.430 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -11.712 4.250 -16.415 1.00 0.00 N ATOM 0 H ARG A 99 -9.661 7.841 -10.411 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.614 7.478 -12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.304 8.900 -12.434 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.228 8.891 -13.817 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.399 6.418 -13.941 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.461 6.417 -12.547 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.151 7.701 -13.751 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.070 7.939 -15.110 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.685 5.585 -14.555 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.706 6.742 -16.054 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.623 5.398 -17.197 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.571 3.861 -16.027 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.238 3.774 -17.182 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.530 9.706 -12.385 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.796 10.955 -12.223 1.00 0.00 C ATOM 1502 C VAL A 100 -5.255 11.452 -13.559 1.00 0.00 C ATOM 1503 O VAL A 100 -4.270 10.925 -14.078 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.625 10.795 -11.235 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.887 12.114 -11.063 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.126 10.277 -9.896 1.00 0.00 C ATOM 0 H VAL A 100 -6.088 9.036 -13.014 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.500 11.686 -11.825 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.925 10.065 -11.643 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.063 11.981 -10.362 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.494 12.440 -12.026 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.574 12.868 -10.678 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.286 10.170 -9.210 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.847 10.981 -9.480 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.605 9.308 -10.037 1.00 0.00 H new ATOM 1516 N THR A 101 -5.905 12.471 -14.113 1.00 0.00 N ATOM 1517 CA THR A 101 -5.490 13.039 -15.389 1.00 0.00 C ATOM 1518 C THR A 101 -4.410 14.097 -15.195 1.00 0.00 C ATOM 1519 O THR A 101 -4.020 14.398 -14.068 1.00 0.00 O ATOM 1520 CB THR A 101 -6.680 13.668 -16.138 1.00 0.00 C ATOM 1521 OG1 THR A 101 -7.165 14.806 -15.417 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.804 12.657 -16.314 1.00 0.00 C ATOM 0 H THR A 101 -6.721 12.920 -13.697 1.00 0.00 H new ATOM 0 HA THR A 101 -5.088 12.219 -15.984 1.00 0.00 H new ATOM 0 HB THR A 101 -6.336 13.981 -17.124 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.920 15.202 -15.900 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.633 13.124 -16.845 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.440 11.804 -16.887 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.145 12.318 -15.336 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.931 14.657 -16.301 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.895 15.682 -16.251 1.00 0.00 C ATOM 1532 C GLU A 102 -3.389 16.918 -15.505 1.00 0.00 C ATOM 1533 O GLU A 102 -4.580 17.053 -15.222 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.458 16.067 -17.666 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.256 15.284 -18.166 1.00 0.00 C ATOM 1536 CD GLU A 102 -1.376 14.903 -19.629 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -1.890 15.726 -20.415 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -0.956 13.783 -19.987 1.00 0.00 O ATOM 0 H GLU A 102 -4.244 14.418 -17.242 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.040 15.272 -15.714 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.292 15.911 -18.350 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.222 17.131 -17.688 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.354 15.879 -18.022 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.141 14.380 -17.567 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.465 17.819 -15.188 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.804 19.046 -14.476 1.00 0.00 C ATOM 1547 C LYS A 103 -2.310 20.272 -15.237 1.00 0.00 C ATOM 1548 O LYS A 103 -1.379 20.200 -16.040 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.200 19.027 -13.070 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.768 19.533 -13.017 1.00 0.00 C ATOM 1551 CD LYS A 103 0.164 18.654 -13.834 1.00 0.00 C ATOM 1552 CE LYS A 103 1.622 19.023 -13.602 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.476 18.667 -14.769 1.00 0.00 N ATOM 0 H LYS A 103 -1.475 17.722 -15.413 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.890 19.103 -14.398 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.817 19.637 -12.410 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.231 18.008 -12.684 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.728 20.555 -13.393 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.429 19.561 -11.981 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.005 17.609 -13.569 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.074 18.754 -14.893 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.700 20.093 -13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.989 18.510 -12.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.456 18.965 -14.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.449 17.638 -14.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.121 19.149 -15.619 1.00 0.00 H new ATOM 1567 N PRO A 104 -2.944 21.425 -14.980 1.00 0.00 N ATOM 1568 CA PRO A 104 -2.584 22.689 -15.630 1.00 0.00 C ATOM 1569 C PRO A 104 -1.231 23.215 -15.163 1.00 0.00 C ATOM 1570 O PRO A 104 -0.530 23.900 -15.908 1.00 0.00 O ATOM 1571 CB PRO A 104 -3.705 23.639 -15.202 1.00 0.00 C ATOM 1572 CG PRO A 104 -4.211 23.076 -13.919 1.00 0.00 C ATOM 1573 CD PRO A 104 -4.062 21.584 -14.035 1.00 0.00 C ATOM 0 HA PRO A 104 -2.489 22.580 -16.710 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -3.333 24.655 -15.069 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -4.494 23.684 -15.953 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.642 23.461 -13.073 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -5.252 23.353 -13.755 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -3.841 21.126 -13.071 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.973 21.117 -14.409 1.00 0.00 H new ATOM 1581 N SER A 105 -0.870 22.891 -13.925 1.00 0.00 N ATOM 1582 CA SER A 105 0.398 23.335 -13.358 1.00 0.00 C ATOM 1583 C SER A 105 1.563 22.548 -13.951 1.00 0.00 C ATOM 1584 O SER A 105 1.398 21.807 -14.920 1.00 0.00 O ATOM 1585 CB SER A 105 0.382 23.178 -11.836 1.00 0.00 C ATOM 1586 OG SER A 105 -0.844 23.629 -11.289 1.00 0.00 O ATOM 0 H SER A 105 -1.438 22.323 -13.296 1.00 0.00 H new ATOM 0 HA SER A 105 0.531 24.388 -13.606 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.537 22.131 -11.574 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.207 23.742 -11.401 1.00 0.00 H new ATOM 0 HG SER A 105 -0.829 23.516 -10.316 1.00 0.00 H new ATOM 1592 N VAL A 106 2.742 22.715 -13.360 1.00 0.00 N ATOM 1593 CA VAL A 106 3.936 22.021 -13.828 1.00 0.00 C ATOM 1594 C VAL A 106 4.480 21.081 -12.757 1.00 0.00 C ATOM 1595 O VAL A 106 4.846 19.942 -13.044 1.00 0.00 O ATOM 1596 CB VAL A 106 5.041 23.015 -14.232 1.00 0.00 C ATOM 1597 CG1 VAL A 106 6.071 22.335 -15.122 1.00 0.00 C ATOM 1598 CG2 VAL A 106 4.439 24.226 -14.929 1.00 0.00 C ATOM 0 H VAL A 106 2.896 23.324 -12.557 1.00 0.00 H new ATOM 0 HA VAL A 106 3.643 21.440 -14.703 1.00 0.00 H new ATOM 0 HB VAL A 106 5.546 23.358 -13.329 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.844 23.052 -15.398 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.524 21.502 -14.584 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.584 21.962 -16.023 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.234 24.918 -15.208 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.908 23.904 -15.825 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.743 24.725 -14.255 1.00 0.00 H new ATOM 1608 N PHE A 107 4.529 21.567 -11.521 1.00 0.00 N ATOM 1609 CA PHE A 107 5.029 20.771 -10.407 1.00 0.00 C ATOM 1610 C PHE A 107 4.333 19.414 -10.352 1.00 0.00 C ATOM 1611 O PHE A 107 3.296 19.210 -10.985 1.00 0.00 O ATOM 1612 CB PHE A 107 4.821 21.516 -9.086 1.00 0.00 C ATOM 1613 CG PHE A 107 5.757 21.076 -7.997 1.00 0.00 C ATOM 1614 CD1 PHE A 107 7.093 21.439 -8.024 1.00 0.00 C ATOM 1615 CD2 PHE A 107 5.299 20.300 -6.944 1.00 0.00 C ATOM 1616 CE1 PHE A 107 7.957 21.037 -7.023 1.00 0.00 C ATOM 1617 CE2 PHE A 107 6.157 19.894 -5.940 1.00 0.00 C ATOM 1618 CZ PHE A 107 7.488 20.263 -5.980 1.00 0.00 C ATOM 0 H PHE A 107 4.229 22.508 -11.266 1.00 0.00 H new ATOM 0 HA PHE A 107 6.096 20.607 -10.561 1.00 0.00 H new ATOM 0 HB2 PHE A 107 4.951 22.585 -9.256 1.00 0.00 H new ATOM 0 HB3 PHE A 107 3.794 21.369 -8.753 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.465 22.044 -8.838 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.259 20.009 -6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 107 8.997 21.328 -7.056 1.00 0.00 H new ATOM 0 HE2 PHE A 107 5.788 19.289 -5.125 1.00 0.00 H new ATOM 0 HZ PHE A 107 8.161 19.946 -5.197 1.00 0.00 H new ATOM 1628 N SER A 108 4.911 18.489 -9.593 1.00 0.00 N ATOM 1629 CA SER A 108 4.350 17.150 -9.459 1.00 0.00 C ATOM 1630 C SER A 108 4.907 16.448 -8.224 1.00 0.00 C ATOM 1631 O SER A 108 5.798 16.967 -7.551 1.00 0.00 O ATOM 1632 CB SER A 108 4.650 16.320 -10.709 1.00 0.00 C ATOM 1633 OG SER A 108 5.925 16.639 -11.239 1.00 0.00 O ATOM 0 H SER A 108 5.768 18.642 -9.061 1.00 0.00 H new ATOM 0 HA SER A 108 3.270 17.246 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.610 15.259 -10.463 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.884 16.502 -11.463 1.00 0.00 H new ATOM 0 HG SER A 108 6.094 16.094 -12.036 1.00 0.00 H new ATOM 1639 N ARG A 109 4.375 15.266 -7.933 1.00 0.00 N ATOM 1640 CA ARG A 109 4.817 14.492 -6.778 1.00 0.00 C ATOM 1641 C ARG A 109 6.176 13.850 -7.043 1.00 0.00 C ATOM 1642 O ARG A 109 6.256 12.706 -7.490 1.00 0.00 O ATOM 1643 CB ARG A 109 3.788 13.413 -6.436 1.00 0.00 C ATOM 1644 CG ARG A 109 3.877 12.921 -5.001 1.00 0.00 C ATOM 1645 CD ARG A 109 3.004 11.696 -4.777 1.00 0.00 C ATOM 1646 NE ARG A 109 3.575 10.791 -3.783 1.00 0.00 N ATOM 1647 CZ ARG A 109 3.530 11.015 -2.474 1.00 0.00 C ATOM 1648 NH1 ARG A 109 2.943 12.108 -2.005 1.00 0.00 N ATOM 1649 NH2 ARG A 109 4.072 10.145 -1.632 1.00 0.00 N ATOM 0 H ARG A 109 3.637 14.823 -8.481 1.00 0.00 H new ATOM 0 HA ARG A 109 4.914 15.172 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 109 2.788 13.807 -6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 109 3.923 12.567 -7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 109 4.913 12.680 -4.761 1.00 0.00 H new ATOM 0 HG3 ARG A 109 3.570 13.717 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 109 2.013 12.012 -4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 109 2.876 11.165 -5.720 1.00 0.00 H new ATOM 0 HE ARG A 109 4.033 9.941 -4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 109 2.525 12.779 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 109 2.910 12.278 -1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.524 9.303 -1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 109 4.037 10.318 -0.627 1.00 0.00 H new ATOM 1663 N SER A 110 7.241 14.593 -6.763 1.00 0.00 N ATOM 1664 CA SER A 110 8.596 14.098 -6.974 1.00 0.00 C ATOM 1665 C SER A 110 9.420 14.206 -5.695 1.00 0.00 C ATOM 1666 O SER A 110 9.462 15.257 -5.057 1.00 0.00 O ATOM 1667 CB SER A 110 9.277 14.878 -8.100 1.00 0.00 C ATOM 1668 OG SER A 110 10.291 14.104 -8.716 1.00 0.00 O ATOM 0 H SER A 110 7.192 15.541 -6.389 1.00 0.00 H new ATOM 0 HA SER A 110 8.532 13.047 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.536 15.170 -8.844 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.708 15.796 -7.701 1.00 0.00 H new ATOM 0 HG SER A 110 10.710 14.624 -9.433 1.00 0.00 H new ATOM 1674 N GLY A 111 10.074 13.108 -5.325 1.00 0.00 N ATOM 1675 CA GLY A 111 10.887 13.099 -4.123 1.00 0.00 C ATOM 1676 C GLY A 111 10.131 12.583 -2.915 1.00 0.00 C ATOM 1677 O GLY A 111 9.725 13.346 -2.038 1.00 0.00 O ATOM 0 H GLY A 111 10.055 12.226 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 111 11.768 12.479 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 111 11.242 14.109 -3.921 1.00 0.00 H new ATOM 1681 N PRO A 112 9.931 11.258 -2.859 1.00 0.00 N ATOM 1682 CA PRO A 112 9.216 10.612 -1.754 1.00 0.00 C ATOM 1683 C PRO A 112 10.009 10.646 -0.452 1.00 0.00 C ATOM 1684 O PRO A 112 10.862 9.791 -0.211 1.00 0.00 O ATOM 1685 CB PRO A 112 9.045 9.170 -2.239 1.00 0.00 C ATOM 1686 CG PRO A 112 10.159 8.960 -3.205 1.00 0.00 C ATOM 1687 CD PRO A 112 10.387 10.289 -3.869 1.00 0.00 C ATOM 0 HA PRO A 112 8.276 11.115 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.102 8.464 -1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.075 9.025 -2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.060 8.619 -2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.901 8.196 -3.939 1.00 0.00 H new ATOM 0 HD2 PRO A 112 11.437 10.437 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 112 9.820 10.378 -4.796 1.00 0.00 H new ATOM 1695 N SER A 113 9.722 11.638 0.384 1.00 0.00 N ATOM 1696 CA SER A 113 10.411 11.785 1.661 1.00 0.00 C ATOM 1697 C SER A 113 10.318 10.501 2.479 1.00 0.00 C ATOM 1698 O SER A 113 11.311 9.798 2.666 1.00 0.00 O ATOM 1699 CB SER A 113 9.818 12.952 2.453 1.00 0.00 C ATOM 1700 OG SER A 113 10.252 12.925 3.802 1.00 0.00 O ATOM 0 H SER A 113 9.017 12.352 0.200 1.00 0.00 H new ATOM 0 HA SER A 113 11.462 11.990 1.457 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.112 13.895 1.992 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.730 12.905 2.417 1.00 0.00 H new ATOM 0 HG SER A 113 9.861 13.682 4.287 1.00 0.00 H new ATOM 1706 N SER A 114 9.118 10.201 2.965 1.00 0.00 N ATOM 1707 CA SER A 114 8.894 9.004 3.767 1.00 0.00 C ATOM 1708 C SER A 114 9.334 7.754 3.010 1.00 0.00 C ATOM 1709 O SER A 114 9.964 6.862 3.576 1.00 0.00 O ATOM 1710 CB SER A 114 7.418 8.889 4.150 1.00 0.00 C ATOM 1711 OG SER A 114 7.248 8.057 5.284 1.00 0.00 O ATOM 0 H SER A 114 8.285 10.771 2.817 1.00 0.00 H new ATOM 0 HA SER A 114 9.491 9.088 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.015 9.880 4.359 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.852 8.485 3.311 1.00 0.00 H new ATOM 0 HG SER A 114 6.296 8.001 5.509 1.00 0.00 H new ATOM 1717 N GLY A 115 8.995 7.697 1.726 1.00 0.00 N ATOM 1718 CA GLY A 115 9.362 6.553 0.912 1.00 0.00 C ATOM 1719 C GLY A 115 8.207 5.595 0.705 1.00 0.00 C ATOM 1720 O GLY A 115 7.533 5.208 1.660 1.00 0.00 O ATOM 0 H GLY A 115 8.473 8.423 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.720 6.900 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.189 6.024 1.386 1.00 0.00 H new TER 1724 GLY A 115