USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 975 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 CYS SG : rot 157:sc= -2.9! USER MOD Set 1.2: A 97 CYS SG : rot -152:sc= -5.61! USER MOD Set 2.1: A 84 MET CE :methyl 174:sc= -1.3 (180deg=-1.38) USER MOD Set 2.2: A 95 TYR OH : rot -172:sc= 0.365 USER MOD Set 3.1: A 83 GLN : amide:sc= -0.0743 X(o=-0.56,f=-0.8) USER MOD Set 3.2: A 85 ASN : amide:sc= -0.481 K(o=-0.56,f=-4.5!) USER MOD Set 4.1: A 77 LYS NZ :NH3+ -156:sc= 0.726 (180deg=-0.116) USER MOD Set 4.2: A 81 TYR OH : rot 180:sc= 0.992 USER MOD Set 5.1: A 33 ASN :FLIP amide:sc= 0.251 F(o=-2.1,f=-0.21) USER MOD Set 5.2: A 75 ASN :FLIP amide:sc=-0.00463 X(o=-0.21,f=-0.21) USER MOD Set 5.3: A 78 ASN : amide:sc= -0.457 K(o=-0.21,f=-0.85) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.105 (180deg=-0.6) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00729) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 8 SER OG : rot -30:sc= 0.112 USER MOD Single : A 14 GLN : amide:sc= -2.37 X(o=-2.4,f=-2.8) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -97:sc= 0.441 USER MOD Single : A 26 SER OG : rot 180:sc= 0.529 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -109:sc= 0.436 (180deg=0.0276) USER MOD Single : A 55 SER OG : rot -109:sc= 1.08 USER MOD Single : A 58 SER OG : rot -1:sc= 0.233 USER MOD Single : A 59 THR OG1 : rot -62:sc= 0.712 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0177) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 154:sc= 0.663 (180deg=0.319) USER MOD Single : A 92 THR OG1 : rot 86:sc= 0.125 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 41:sc= 0.143 USER MOD Single : A 112 TYR OH : rot 30:sc= -0.115 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.656 F(o=-1.6!,f=-0.66) USER MOD Single : A 117 THR OG1 : rot 120:sc= -0.571 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.35 F(o=-1.8,f=-0.35) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -133:sc= 1.27 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-1) USER MOD Single : A 129 HIS : no HE2:sc= 0.0533 X(o=0.053,f=-0.26) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.338 -0.108 -0.555 1.00 0.00 N ATOM 2 CA MET A 1 0.428 -0.163 -1.817 1.00 0.00 C ATOM 3 C MET A 1 -0.251 0.724 -2.881 1.00 0.00 C ATOM 4 O MET A 1 -1.031 0.240 -3.709 1.00 0.00 O ATOM 5 CB MET A 1 0.577 -1.634 -2.319 1.00 0.00 C ATOM 6 CG MET A 1 1.345 -2.575 -1.368 1.00 0.00 C ATOM 7 SD MET A 1 1.599 -4.234 -2.045 1.00 0.00 S ATOM 8 CE MET A 1 2.567 -3.894 -3.521 1.00 0.00 C ATOM 0 H1 MET A 1 0.152 -0.667 0.173 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.416 0.880 -0.239 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.290 -0.498 -0.709 1.00 0.00 H new ATOM 0 HA MET A 1 1.432 0.221 -1.634 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.418 -2.046 -2.488 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.086 -1.623 -3.283 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.314 -2.133 -1.137 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.798 -2.654 -0.428 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.058 -4.809 -3.853 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.911 -3.528 -4.310 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.320 -3.139 -3.296 1.00 0.00 H new ATOM 20 N GLN A 2 0.023 2.040 -2.815 1.00 0.00 N ATOM 21 CA GLN A 2 -0.465 3.025 -3.800 1.00 0.00 C ATOM 22 C GLN A 2 0.730 3.593 -4.572 1.00 0.00 C ATOM 23 O GLN A 2 1.631 4.196 -3.974 1.00 0.00 O ATOM 24 CB GLN A 2 -1.271 4.160 -3.097 1.00 0.00 C ATOM 25 CG GLN A 2 -2.651 3.712 -2.572 1.00 0.00 C ATOM 26 CD GLN A 2 -3.443 4.809 -1.845 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.875 5.690 -1.200 1.00 0.00 O ATOM 28 NE2 GLN A 2 -4.767 4.773 -1.962 1.00 0.00 N ATOM 0 H GLN A 2 0.591 2.452 -2.075 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.141 2.534 -4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.684 4.547 -2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.409 4.983 -3.799 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.244 3.349 -3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.512 2.871 -1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.211 4.031 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.338 5.487 -1.511 1.00 0.00 H new ATOM 37 N LEU A 3 0.745 3.367 -5.900 1.00 0.00 N ATOM 38 CA LEU A 3 1.816 3.846 -6.785 1.00 0.00 C ATOM 39 C LEU A 3 1.648 5.367 -6.980 1.00 0.00 C ATOM 40 O LEU A 3 0.677 5.822 -7.598 1.00 0.00 O ATOM 41 CB LEU A 3 1.765 3.066 -8.150 1.00 0.00 C ATOM 42 CG LEU A 3 3.085 2.969 -8.999 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.585 4.335 -9.502 1.00 0.00 C ATOM 44 CD2 LEU A 3 4.188 2.207 -8.231 1.00 0.00 C ATOM 0 H LEU A 3 0.014 2.847 -6.386 1.00 0.00 H new ATOM 0 HA LEU A 3 2.795 3.661 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.428 2.051 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.002 3.533 -8.773 1.00 0.00 H new ATOM 0 HG LEU A 3 2.834 2.396 -9.892 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.499 4.198 -10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.822 4.792 -10.132 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.789 4.984 -8.650 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.089 2.156 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.411 2.729 -7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.844 1.197 -8.007 1.00 0.00 H new ATOM 56 N GLN A 4 2.599 6.128 -6.424 1.00 0.00 N ATOM 57 CA GLN A 4 2.658 7.596 -6.543 1.00 0.00 C ATOM 58 C GLN A 4 3.537 7.977 -7.746 1.00 0.00 C ATOM 59 O GLN A 4 4.599 7.385 -7.951 1.00 0.00 O ATOM 60 CB GLN A 4 3.246 8.212 -5.244 1.00 0.00 C ATOM 61 CG GLN A 4 2.541 7.760 -3.946 1.00 0.00 C ATOM 62 CD GLN A 4 3.077 8.426 -2.668 1.00 0.00 C ATOM 63 OE1 GLN A 4 3.481 9.693 -2.753 1.00 0.00 O flip ATOM 64 NE2 GLN A 4 3.090 7.814 -1.599 1.00 0.00 N flip ATOM 0 H GLN A 4 3.362 5.738 -5.870 1.00 0.00 H new ATOM 0 HA GLN A 4 1.651 7.985 -6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.302 7.951 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.190 9.298 -5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.475 7.973 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.644 6.679 -3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 4 2.775 6.845 -1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.416 8.277 -0.750 1.00 0.00 H new ATOM 73 N LEU A 5 3.075 8.953 -8.527 1.00 0.00 N ATOM 74 CA LEU A 5 3.799 9.488 -9.693 1.00 0.00 C ATOM 75 C LEU A 5 4.207 10.943 -9.419 1.00 0.00 C ATOM 76 O LEU A 5 3.367 11.774 -9.030 1.00 0.00 O ATOM 77 CB LEU A 5 2.882 9.419 -10.935 1.00 0.00 C ATOM 78 CG LEU A 5 2.409 7.991 -11.353 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.240 8.072 -12.351 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.585 7.155 -11.926 1.00 0.00 C ATOM 0 H LEU A 5 2.174 9.405 -8.370 1.00 0.00 H new ATOM 0 HA LEU A 5 4.696 8.897 -9.875 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.001 10.032 -10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.409 9.868 -11.777 1.00 0.00 H new ATOM 0 HG LEU A 5 2.050 7.480 -10.459 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.927 7.065 -12.628 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.404 8.598 -11.890 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.560 8.611 -13.243 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.225 6.166 -12.208 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.994 7.656 -12.803 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.363 7.055 -11.169 1.00 0.00 H new ATOM 92 N VAL A 6 5.501 11.239 -9.596 1.00 0.00 N ATOM 93 CA VAL A 6 6.038 12.598 -9.466 1.00 0.00 C ATOM 94 C VAL A 6 6.569 13.056 -10.830 1.00 0.00 C ATOM 95 O VAL A 6 7.646 12.628 -11.264 1.00 0.00 O ATOM 96 CB VAL A 6 7.187 12.681 -8.382 1.00 0.00 C ATOM 97 CG1 VAL A 6 7.723 14.136 -8.246 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.710 12.119 -7.010 1.00 0.00 C ATOM 0 H VAL A 6 6.206 10.541 -9.834 1.00 0.00 H new ATOM 0 HA VAL A 6 5.233 13.253 -9.133 1.00 0.00 H new ATOM 0 HB VAL A 6 8.013 12.056 -8.721 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.512 14.164 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.123 14.468 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.910 14.796 -7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.522 12.190 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.857 12.698 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.417 11.075 -7.126 1.00 0.00 H new ATOM 108 N GLU A 7 5.792 13.916 -11.509 1.00 0.00 N ATOM 109 CA GLU A 7 6.200 14.519 -12.782 1.00 0.00 C ATOM 110 C GLU A 7 7.062 15.760 -12.514 1.00 0.00 C ATOM 111 O GLU A 7 6.878 16.459 -11.503 1.00 0.00 O ATOM 112 CB GLU A 7 4.979 14.876 -13.683 1.00 0.00 C ATOM 113 CG GLU A 7 4.110 13.669 -14.130 1.00 0.00 C ATOM 114 CD GLU A 7 2.920 13.358 -13.195 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.132 13.048 -12.003 1.00 0.00 O ATOM 116 OE2 GLU A 7 1.762 13.406 -13.658 1.00 0.00 O ATOM 0 H GLU A 7 4.869 14.210 -11.190 1.00 0.00 H new ATOM 0 HA GLU A 7 6.788 13.782 -13.329 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.344 15.580 -13.145 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.343 15.390 -14.573 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.728 13.864 -15.132 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.744 12.785 -14.197 1.00 0.00 H new ATOM 123 N SER A 8 8.000 15.997 -13.427 1.00 0.00 N ATOM 124 CA SER A 8 8.965 17.100 -13.363 1.00 0.00 C ATOM 125 C SER A 8 9.490 17.391 -14.777 1.00 0.00 C ATOM 126 O SER A 8 9.167 16.665 -15.732 1.00 0.00 O ATOM 127 CB SER A 8 10.124 16.730 -12.402 1.00 0.00 C ATOM 128 OG SER A 8 10.746 15.514 -12.788 1.00 0.00 O ATOM 0 H SER A 8 8.116 15.414 -14.256 1.00 0.00 H new ATOM 0 HA SER A 8 8.482 17.998 -12.977 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.862 17.532 -12.394 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.741 16.638 -11.386 1.00 0.00 H new ATOM 0 HG SER A 8 10.088 14.935 -13.226 1.00 0.00 H new ATOM 134 N GLY A 9 10.281 18.467 -14.908 1.00 0.00 N ATOM 135 CA GLY A 9 10.881 18.856 -16.187 1.00 0.00 C ATOM 136 C GLY A 9 10.047 19.873 -16.956 1.00 0.00 C ATOM 137 O GLY A 9 10.562 20.529 -17.858 1.00 0.00 O ATOM 0 H GLY A 9 10.520 19.086 -14.134 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.872 19.272 -16.005 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.017 17.967 -16.803 1.00 0.00 H new ATOM 141 N GLY A 10 8.756 19.999 -16.587 1.00 0.00 N ATOM 142 CA GLY A 10 7.837 20.940 -17.228 1.00 0.00 C ATOM 143 C GLY A 10 8.202 22.390 -16.960 1.00 0.00 C ATOM 144 O GLY A 10 8.353 22.793 -15.798 1.00 0.00 O ATOM 0 H GLY A 10 8.330 19.451 -15.839 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.834 20.763 -18.304 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.824 20.753 -16.871 1.00 0.00 H new ATOM 148 N GLY A 11 8.372 23.159 -18.040 1.00 0.00 N ATOM 149 CA GLY A 11 8.752 24.563 -17.960 1.00 0.00 C ATOM 150 C GLY A 11 8.543 25.272 -19.275 1.00 0.00 C ATOM 151 O GLY A 11 7.886 24.735 -20.186 1.00 0.00 O ATOM 0 H GLY A 11 8.248 22.820 -18.994 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.166 25.055 -17.184 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.799 24.641 -17.667 1.00 0.00 H new ATOM 155 N LEU A 12 9.104 26.483 -19.380 1.00 0.00 N ATOM 156 CA LEU A 12 8.954 27.326 -20.557 1.00 0.00 C ATOM 157 C LEU A 12 10.094 27.061 -21.549 1.00 0.00 C ATOM 158 O LEU A 12 11.267 27.250 -21.223 1.00 0.00 O ATOM 159 CB LEU A 12 8.860 28.821 -20.145 1.00 0.00 C ATOM 160 CG LEU A 12 8.414 29.854 -21.249 1.00 0.00 C ATOM 161 CD1 LEU A 12 7.790 31.114 -20.612 1.00 0.00 C ATOM 162 CD2 LEU A 12 9.580 30.259 -22.188 1.00 0.00 C ATOM 0 H LEU A 12 9.675 26.901 -18.645 1.00 0.00 H new ATOM 0 HA LEU A 12 8.022 27.076 -21.064 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.161 28.897 -19.312 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.837 29.129 -19.771 1.00 0.00 H new ATOM 0 HG LEU A 12 7.661 29.350 -21.855 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.492 31.809 -21.397 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.915 30.831 -20.027 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.522 31.593 -19.962 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.219 30.972 -22.930 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.377 30.717 -21.602 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.965 29.373 -22.693 1.00 0.00 H new ATOM 174 N VAL A 13 9.719 26.610 -22.756 1.00 0.00 N ATOM 175 CA VAL A 13 10.629 26.457 -23.906 1.00 0.00 C ATOM 176 C VAL A 13 10.066 27.239 -25.098 1.00 0.00 C ATOM 177 O VAL A 13 8.939 27.720 -25.045 1.00 0.00 O ATOM 178 CB VAL A 13 10.849 24.944 -24.300 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.615 24.192 -23.188 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.508 24.236 -24.638 1.00 0.00 C ATOM 0 H VAL A 13 8.759 26.336 -22.966 1.00 0.00 H new ATOM 0 HA VAL A 13 11.603 26.854 -23.621 1.00 0.00 H new ATOM 0 HB VAL A 13 11.458 24.925 -25.204 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.755 23.152 -23.482 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.588 24.660 -23.036 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.044 24.233 -22.261 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.702 23.197 -24.904 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.849 24.271 -23.770 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.031 24.742 -25.477 1.00 0.00 H new ATOM 190 N GLN A 14 10.867 27.381 -26.153 1.00 0.00 N ATOM 191 CA GLN A 14 10.455 28.065 -27.391 1.00 0.00 C ATOM 192 C GLN A 14 9.767 27.086 -28.361 1.00 0.00 C ATOM 193 O GLN A 14 10.032 25.872 -28.340 1.00 0.00 O ATOM 194 CB GLN A 14 11.663 28.772 -28.088 1.00 0.00 C ATOM 195 CG GLN A 14 12.762 27.868 -28.698 1.00 0.00 C ATOM 196 CD GLN A 14 13.637 27.143 -27.675 1.00 0.00 C ATOM 197 OE1 GLN A 14 13.845 27.617 -26.559 1.00 0.00 O ATOM 198 NE2 GLN A 14 14.163 25.997 -28.056 1.00 0.00 N ATOM 0 H GLN A 14 11.823 27.026 -26.179 1.00 0.00 H new ATOM 0 HA GLN A 14 9.735 28.835 -27.112 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.269 29.406 -28.882 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.135 29.430 -27.358 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.287 27.126 -29.340 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.402 28.478 -29.335 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.970 25.632 -28.989 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.763 25.474 -27.418 1.00 0.00 H new ATOM 207 N ALA A 15 8.869 27.642 -29.198 1.00 0.00 N ATOM 208 CA ALA A 15 8.168 26.913 -30.266 1.00 0.00 C ATOM 209 C ALA A 15 9.166 26.466 -31.346 1.00 0.00 C ATOM 210 O ALA A 15 9.837 27.301 -31.957 1.00 0.00 O ATOM 211 CB ALA A 15 7.067 27.802 -30.864 1.00 0.00 C ATOM 0 H ALA A 15 8.608 28.627 -29.148 1.00 0.00 H new ATOM 0 HA ALA A 15 7.702 26.020 -29.849 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.550 27.258 -31.655 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.355 28.073 -30.085 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.514 28.706 -31.277 1.00 0.00 H new ATOM 217 N GLY A 16 9.263 25.147 -31.542 1.00 0.00 N ATOM 218 CA GLY A 16 10.247 24.533 -32.433 1.00 0.00 C ATOM 219 C GLY A 16 11.346 23.828 -31.653 1.00 0.00 C ATOM 220 O GLY A 16 12.075 23.002 -32.212 1.00 0.00 O ATOM 0 H GLY A 16 8.654 24.471 -31.081 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.749 23.818 -33.088 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.687 25.298 -33.072 1.00 0.00 H new ATOM 224 N GLY A 17 11.443 24.152 -30.346 1.00 0.00 N ATOM 225 CA GLY A 17 12.432 23.559 -29.448 1.00 0.00 C ATOM 226 C GLY A 17 11.950 22.292 -28.752 1.00 0.00 C ATOM 227 O GLY A 17 10.814 21.854 -28.947 1.00 0.00 O ATOM 0 H GLY A 17 10.834 24.833 -29.893 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.333 23.330 -30.016 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.710 24.294 -28.693 1.00 0.00 H new ATOM 231 N SER A 18 12.841 21.705 -27.943 1.00 0.00 N ATOM 232 CA SER A 18 12.595 20.444 -27.222 1.00 0.00 C ATOM 233 C SER A 18 12.406 20.684 -25.708 1.00 0.00 C ATOM 234 O SER A 18 12.768 21.746 -25.182 1.00 0.00 O ATOM 235 CB SER A 18 13.775 19.469 -27.486 1.00 0.00 C ATOM 236 OG SER A 18 15.029 20.071 -27.196 1.00 0.00 O ATOM 0 H SER A 18 13.766 22.096 -27.767 1.00 0.00 H new ATOM 0 HA SER A 18 11.669 20.003 -27.591 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.651 18.574 -26.876 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.757 19.150 -28.528 1.00 0.00 H new ATOM 0 HG SER A 18 15.748 19.429 -27.372 1.00 0.00 H new ATOM 242 N LEU A 19 11.828 19.677 -25.034 1.00 0.00 N ATOM 243 CA LEU A 19 11.639 19.649 -23.574 1.00 0.00 C ATOM 244 C LEU A 19 11.449 18.188 -23.143 1.00 0.00 C ATOM 245 O LEU A 19 10.595 17.487 -23.698 1.00 0.00 O ATOM 246 CB LEU A 19 10.405 20.503 -23.157 1.00 0.00 C ATOM 247 CG LEU A 19 10.134 20.628 -21.620 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.323 21.295 -20.889 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.808 21.382 -21.351 1.00 0.00 C ATOM 0 H LEU A 19 11.471 18.842 -25.498 1.00 0.00 H new ATOM 0 HA LEU A 19 12.513 20.076 -23.082 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.530 21.506 -23.565 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.519 20.076 -23.627 1.00 0.00 H new ATOM 0 HG LEU A 19 10.031 19.621 -21.217 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.102 21.366 -19.824 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.222 20.695 -21.034 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.485 22.294 -21.294 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.643 21.455 -20.276 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.865 22.383 -21.779 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.981 20.839 -21.809 1.00 0.00 H new ATOM 261 N ARG A 20 12.259 17.720 -22.176 1.00 0.00 N ATOM 262 CA ARG A 20 12.163 16.346 -21.657 1.00 0.00 C ATOM 263 C ARG A 20 11.532 16.342 -20.255 1.00 0.00 C ATOM 264 O ARG A 20 12.014 17.021 -19.335 1.00 0.00 O ATOM 265 CB ARG A 20 13.545 15.642 -21.642 1.00 0.00 C ATOM 266 CG ARG A 20 13.487 14.150 -21.207 1.00 0.00 C ATOM 267 CD ARG A 20 14.844 13.440 -21.338 1.00 0.00 C ATOM 268 NE ARG A 20 15.887 14.101 -20.536 1.00 0.00 N ATOM 269 CZ ARG A 20 17.190 14.176 -20.848 1.00 0.00 C ATOM 270 NH1 ARG A 20 17.661 13.610 -21.953 1.00 0.00 N ATOM 271 NH2 ARG A 20 18.014 14.823 -20.041 1.00 0.00 N ATOM 0 H ARG A 20 12.991 18.278 -21.737 1.00 0.00 H new ATOM 0 HA ARG A 20 11.517 15.782 -22.330 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.984 15.703 -22.638 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.209 16.182 -20.967 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.149 14.090 -20.172 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.748 13.627 -21.814 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.744 12.402 -21.019 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.146 13.424 -22.385 1.00 0.00 H new ATOM 0 HE ARG A 20 15.593 14.542 -19.665 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.030 13.109 -22.579 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.654 13.676 -22.176 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.657 15.259 -19.191 1.00 0.00 H new ATOM 0 HH22 ARG A 20 19.006 14.886 -20.269 1.00 0.00 H new ATOM 285 N LEU A 21 10.434 15.583 -20.130 1.00 0.00 N ATOM 286 CA LEU A 21 9.719 15.354 -18.870 1.00 0.00 C ATOM 287 C LEU A 21 10.309 14.122 -18.159 1.00 0.00 C ATOM 288 O LEU A 21 10.952 13.270 -18.794 1.00 0.00 O ATOM 289 CB LEU A 21 8.185 15.152 -19.132 1.00 0.00 C ATOM 290 CG LEU A 21 7.391 16.386 -19.684 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.625 17.627 -18.811 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.702 16.671 -21.171 1.00 0.00 C ATOM 0 H LEU A 21 10.010 15.101 -20.922 1.00 0.00 H new ATOM 0 HA LEU A 21 9.840 16.229 -18.231 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.067 14.329 -19.837 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.719 14.840 -18.197 1.00 0.00 H new ATOM 0 HG LEU A 21 6.332 16.133 -19.633 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.063 18.468 -19.216 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.291 17.424 -17.793 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.687 17.871 -18.803 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.127 17.535 -21.504 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.766 16.877 -21.287 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.433 15.802 -21.772 1.00 0.00 H new ATOM 304 N SER A 22 10.113 14.052 -16.839 1.00 0.00 N ATOM 305 CA SER A 22 10.560 12.928 -16.007 1.00 0.00 C ATOM 306 C SER A 22 9.464 12.599 -14.980 1.00 0.00 C ATOM 307 O SER A 22 9.043 13.470 -14.226 1.00 0.00 O ATOM 308 CB SER A 22 11.883 13.303 -15.290 1.00 0.00 C ATOM 309 OG SER A 22 12.873 13.756 -16.205 1.00 0.00 O ATOM 0 H SER A 22 9.634 14.782 -16.311 1.00 0.00 H new ATOM 0 HA SER A 22 10.741 12.052 -16.629 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.688 14.081 -14.552 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.260 12.436 -14.747 1.00 0.00 H new ATOM 0 HG SER A 22 13.471 13.014 -16.434 1.00 0.00 H new ATOM 315 N CYS A 23 9.015 11.340 -14.969 1.00 0.00 N ATOM 316 CA CYS A 23 8.015 10.829 -14.018 1.00 0.00 C ATOM 317 C CYS A 23 8.647 9.741 -13.152 1.00 0.00 C ATOM 318 O CYS A 23 8.861 8.613 -13.609 1.00 0.00 O ATOM 319 CB CYS A 23 6.788 10.260 -14.748 1.00 0.00 C ATOM 320 SG CYS A 23 5.633 9.419 -13.645 1.00 0.00 S ATOM 0 H CYS A 23 9.339 10.634 -15.630 1.00 0.00 H new ATOM 0 HA CYS A 23 7.682 11.658 -13.393 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.268 11.071 -15.258 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.121 9.562 -15.516 1.00 0.00 H new ATOM 0 HG CYS A 23 4.452 9.398 -14.187 1.00 0.00 H new ATOM 326 N VAL A 24 8.983 10.104 -11.914 1.00 0.00 N ATOM 327 CA VAL A 24 9.599 9.198 -10.945 1.00 0.00 C ATOM 328 C VAL A 24 8.491 8.520 -10.109 1.00 0.00 C ATOM 329 O VAL A 24 7.655 9.212 -9.510 1.00 0.00 O ATOM 330 CB VAL A 24 10.585 9.988 -10.009 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.381 9.028 -9.103 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.537 10.907 -10.828 1.00 0.00 C ATOM 0 H VAL A 24 8.833 11.046 -11.552 1.00 0.00 H new ATOM 0 HA VAL A 24 10.170 8.435 -11.474 1.00 0.00 H new ATOM 0 HB VAL A 24 9.983 10.631 -9.367 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.054 9.602 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.691 8.459 -8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.962 8.343 -9.720 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.204 11.437 -10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.126 10.300 -11.515 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.948 11.628 -11.395 1.00 0.00 H new ATOM 342 N ALA A 25 8.500 7.175 -10.051 1.00 0.00 N ATOM 343 CA ALA A 25 7.448 6.406 -9.367 1.00 0.00 C ATOM 344 C ALA A 25 7.822 6.215 -7.883 1.00 0.00 C ATOM 345 O ALA A 25 8.677 5.379 -7.558 1.00 0.00 O ATOM 346 CB ALA A 25 7.225 5.048 -10.069 1.00 0.00 C ATOM 0 H ALA A 25 9.228 6.598 -10.472 1.00 0.00 H new ATOM 0 HA ALA A 25 6.511 6.960 -9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.444 4.494 -9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.923 5.218 -11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.151 4.473 -10.051 1.00 0.00 H new ATOM 352 N SER A 26 7.210 7.062 -7.018 1.00 0.00 N ATOM 353 CA SER A 26 7.326 7.004 -5.539 1.00 0.00 C ATOM 354 C SER A 26 8.801 7.069 -5.067 1.00 0.00 C ATOM 355 O SER A 26 9.173 6.484 -4.038 1.00 0.00 O ATOM 356 CB SER A 26 6.609 5.735 -5.002 1.00 0.00 C ATOM 357 OG SER A 26 5.312 5.594 -5.563 1.00 0.00 O ATOM 0 H SER A 26 6.608 7.822 -7.337 1.00 0.00 H new ATOM 0 HA SER A 26 6.834 7.884 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.205 4.853 -5.235 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.533 5.791 -3.916 1.00 0.00 H new ATOM 0 HG SER A 26 4.888 4.786 -5.207 1.00 0.00 H new ATOM 363 N GLY A 27 9.621 7.817 -5.824 1.00 0.00 N ATOM 364 CA GLY A 27 11.060 7.877 -5.586 1.00 0.00 C ATOM 365 C GLY A 27 11.746 6.627 -6.131 1.00 0.00 C ATOM 366 O GLY A 27 12.225 6.620 -7.268 1.00 0.00 O ATOM 0 H GLY A 27 9.303 8.388 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.476 8.764 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.254 7.969 -4.517 1.00 0.00 H new ATOM 370 N ARG A 28 11.763 5.558 -5.319 1.00 0.00 N ATOM 371 CA ARG A 28 12.319 4.247 -5.706 1.00 0.00 C ATOM 372 C ARG A 28 11.435 3.130 -5.128 1.00 0.00 C ATOM 373 O ARG A 28 11.556 2.767 -3.952 1.00 0.00 O ATOM 374 CB ARG A 28 13.796 4.093 -5.228 1.00 0.00 C ATOM 375 CG ARG A 28 14.801 5.012 -5.962 1.00 0.00 C ATOM 376 CD ARG A 28 16.230 4.904 -5.418 1.00 0.00 C ATOM 377 NE ARG A 28 17.158 5.789 -6.150 1.00 0.00 N ATOM 378 CZ ARG A 28 17.811 6.843 -5.633 1.00 0.00 C ATOM 379 NH1 ARG A 28 17.647 7.196 -4.358 1.00 0.00 N ATOM 380 NH2 ARG A 28 18.625 7.544 -6.401 1.00 0.00 N ATOM 0 H ARG A 28 11.390 5.577 -4.370 1.00 0.00 H new ATOM 0 HA ARG A 28 12.325 4.174 -6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.844 4.302 -4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.103 3.056 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.804 4.762 -7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.465 6.046 -5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.238 5.163 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.573 3.872 -5.496 1.00 0.00 H new ATOM 0 HE ARG A 28 17.317 5.582 -7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.018 6.663 -3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.151 7.999 -3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.754 7.284 -7.379 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.125 8.346 -6.016 1.00 0.00 H new ATOM 394 N THR A 29 10.510 2.637 -5.958 1.00 0.00 N ATOM 395 CA THR A 29 9.645 1.490 -5.644 1.00 0.00 C ATOM 396 C THR A 29 9.605 0.563 -6.866 1.00 0.00 C ATOM 397 O THR A 29 10.062 0.940 -7.948 1.00 0.00 O ATOM 398 CB THR A 29 8.192 1.943 -5.249 1.00 0.00 C ATOM 399 OG1 THR A 29 7.459 0.840 -4.687 1.00 0.00 O ATOM 400 CG2 THR A 29 7.405 2.505 -6.448 1.00 0.00 C ATOM 0 H THR A 29 10.337 3.029 -6.884 1.00 0.00 H new ATOM 0 HA THR A 29 10.056 0.963 -4.783 1.00 0.00 H new ATOM 0 HB THR A 29 8.303 2.739 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.557 1.136 -4.444 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.409 2.803 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.928 3.371 -6.853 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.320 1.739 -7.219 1.00 0.00 H new ATOM 408 N PHE A 30 9.067 -0.650 -6.684 1.00 0.00 N ATOM 409 CA PHE A 30 8.908 -1.636 -7.765 1.00 0.00 C ATOM 410 C PHE A 30 7.552 -2.356 -7.612 1.00 0.00 C ATOM 411 O PHE A 30 7.287 -2.988 -6.580 1.00 0.00 O ATOM 412 CB PHE A 30 10.106 -2.643 -7.777 1.00 0.00 C ATOM 413 CG PHE A 30 10.398 -3.348 -6.439 1.00 0.00 C ATOM 414 CD1 PHE A 30 11.089 -2.688 -5.418 1.00 0.00 C ATOM 415 CD2 PHE A 30 9.993 -4.667 -6.206 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.359 -3.320 -4.217 1.00 0.00 C ATOM 417 CE2 PHE A 30 10.263 -5.296 -5.003 1.00 0.00 C ATOM 418 CZ PHE A 30 10.947 -4.622 -4.010 1.00 0.00 C ATOM 0 H PHE A 30 8.728 -0.978 -5.780 1.00 0.00 H new ATOM 0 HA PHE A 30 8.914 -1.123 -8.727 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.910 -3.404 -8.532 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.003 -2.108 -8.089 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.417 -1.670 -5.569 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.461 -5.203 -6.978 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.893 -2.794 -3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.939 -6.313 -4.841 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.160 -5.113 -3.072 1.00 0.00 H new ATOM 428 N ARG A 31 6.705 -2.234 -8.652 1.00 0.00 N ATOM 429 CA ARG A 31 5.396 -2.904 -8.735 1.00 0.00 C ATOM 430 C ARG A 31 4.811 -2.692 -10.150 1.00 0.00 C ATOM 431 O ARG A 31 4.789 -3.617 -10.972 1.00 0.00 O ATOM 432 CB ARG A 31 4.402 -2.386 -7.644 1.00 0.00 C ATOM 433 CG ARG A 31 3.052 -3.148 -7.598 1.00 0.00 C ATOM 434 CD ARG A 31 3.247 -4.663 -7.377 1.00 0.00 C ATOM 435 NE ARG A 31 1.977 -5.410 -7.394 1.00 0.00 N ATOM 436 CZ ARG A 31 1.850 -6.719 -7.679 1.00 0.00 C ATOM 437 NH1 ARG A 31 2.909 -7.455 -8.016 1.00 0.00 N ATOM 438 NH2 ARG A 31 0.657 -7.285 -7.628 1.00 0.00 N ATOM 0 H ARG A 31 6.915 -1.659 -9.468 1.00 0.00 H new ATOM 0 HA ARG A 31 5.540 -3.968 -8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.881 -2.460 -6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.204 -1.329 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.434 -2.742 -6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.512 -2.985 -8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.905 -5.057 -8.151 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.746 -4.825 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 31 1.126 -4.894 -7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.834 -7.027 -8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.794 -8.446 -8.229 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.160 -6.730 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.553 -8.277 -7.843 1.00 0.00 H new ATOM 452 N SER A 32 4.355 -1.448 -10.419 1.00 0.00 N ATOM 453 CA SER A 32 3.792 -1.057 -11.723 1.00 0.00 C ATOM 454 C SER A 32 4.936 -0.671 -12.674 1.00 0.00 C ATOM 455 O SER A 32 5.828 0.098 -12.299 1.00 0.00 O ATOM 456 CB SER A 32 2.797 0.123 -11.553 1.00 0.00 C ATOM 457 OG SER A 32 1.741 -0.216 -10.670 1.00 0.00 O ATOM 0 H SER A 32 4.369 -0.690 -9.736 1.00 0.00 H new ATOM 0 HA SER A 32 3.244 -1.898 -12.147 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.327 0.996 -11.171 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.387 0.398 -12.525 1.00 0.00 H new ATOM 0 HG SER A 32 1.132 0.546 -10.581 1.00 0.00 H new ATOM 463 N ASN A 33 4.931 -1.259 -13.884 1.00 0.00 N ATOM 464 CA ASN A 33 5.909 -0.953 -14.954 1.00 0.00 C ATOM 465 C ASN A 33 5.172 -0.457 -16.210 1.00 0.00 C ATOM 466 O ASN A 33 5.748 -0.415 -17.306 1.00 0.00 O ATOM 467 CB ASN A 33 6.776 -2.206 -15.269 1.00 0.00 C ATOM 468 CG ASN A 33 7.579 -2.739 -14.073 1.00 0.00 C ATOM 469 OD1 ASN A 33 8.017 -1.858 -13.182 1.00 0.00 O flip ATOM 470 ND2 ASN A 33 7.822 -3.944 -13.957 1.00 0.00 N flip ATOM 0 H ASN A 33 4.245 -1.965 -14.153 1.00 0.00 H new ATOM 0 HA ASN A 33 6.577 -0.162 -14.614 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.126 -3.000 -15.637 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.468 -1.961 -16.075 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.475 -4.604 -14.654 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.369 -4.280 -13.165 1.00 0.00 H new ATOM 477 N ALA A 34 3.895 -0.071 -16.026 1.00 0.00 N ATOM 478 CA ALA A 34 3.058 0.513 -17.073 1.00 0.00 C ATOM 479 C ALA A 34 2.707 1.949 -16.671 1.00 0.00 C ATOM 480 O ALA A 34 2.101 2.170 -15.616 1.00 0.00 O ATOM 481 CB ALA A 34 1.788 -0.340 -17.267 1.00 0.00 C ATOM 0 H ALA A 34 3.416 -0.161 -15.130 1.00 0.00 H new ATOM 0 HA ALA A 34 3.593 0.530 -18.023 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.169 0.101 -18.048 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.070 -1.352 -17.556 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.225 -0.372 -16.334 1.00 0.00 H new ATOM 487 N MET A 35 3.138 2.923 -17.499 1.00 0.00 N ATOM 488 CA MET A 35 2.841 4.353 -17.317 1.00 0.00 C ATOM 489 C MET A 35 2.494 4.975 -18.686 1.00 0.00 C ATOM 490 O MET A 35 3.308 4.926 -19.617 1.00 0.00 O ATOM 491 CB MET A 35 4.031 5.141 -16.673 1.00 0.00 C ATOM 492 CG MET A 35 4.498 4.664 -15.282 1.00 0.00 C ATOM 493 SD MET A 35 5.501 3.155 -15.355 1.00 0.00 S ATOM 494 CE MET A 35 6.115 3.043 -13.672 1.00 0.00 C ATOM 0 H MET A 35 3.709 2.733 -18.322 1.00 0.00 H new ATOM 0 HA MET A 35 1.997 4.428 -16.631 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.881 5.092 -17.354 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.744 6.190 -16.596 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.076 5.456 -14.807 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.626 4.485 -14.653 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.747 2.160 -13.573 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.697 3.934 -13.437 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.274 2.966 -12.982 1.00 0.00 H new ATOM 504 N GLY A 36 1.283 5.549 -18.795 1.00 0.00 N ATOM 505 CA GLY A 36 0.846 6.257 -19.998 1.00 0.00 C ATOM 506 C GLY A 36 0.994 7.767 -19.854 1.00 0.00 C ATOM 507 O GLY A 36 0.654 8.318 -18.810 1.00 0.00 O ATOM 0 H GLY A 36 0.586 5.532 -18.051 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.430 5.915 -20.853 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.196 6.012 -20.205 1.00 0.00 H new ATOM 511 N TRP A 37 1.510 8.428 -20.900 1.00 0.00 N ATOM 512 CA TRP A 37 1.602 9.895 -20.971 1.00 0.00 C ATOM 513 C TRP A 37 0.298 10.474 -21.537 1.00 0.00 C ATOM 514 O TRP A 37 -0.227 9.984 -22.544 1.00 0.00 O ATOM 515 CB TRP A 37 2.810 10.333 -21.842 1.00 0.00 C ATOM 516 CG TRP A 37 4.149 10.008 -21.218 1.00 0.00 C ATOM 517 CD1 TRP A 37 5.011 8.999 -21.564 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.765 10.704 -20.122 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.126 9.045 -20.767 1.00 0.00 N ATOM 520 CE2 TRP A 37 5.993 10.076 -19.871 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.395 11.807 -19.338 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.857 10.509 -18.865 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.251 12.235 -18.340 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.472 11.587 -18.113 1.00 0.00 C ATOM 0 H TRP A 37 1.878 7.957 -21.727 1.00 0.00 H new ATOM 0 HA TRP A 37 1.755 10.281 -19.963 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.743 9.846 -22.815 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.751 11.407 -22.019 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.838 8.276 -22.347 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.925 8.415 -20.830 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.457 12.314 -19.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.798 10.011 -18.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.975 13.080 -17.727 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.123 11.945 -17.329 1.00 0.00 H new ATOM 535 N PHE A 38 -0.216 11.498 -20.851 1.00 0.00 N ATOM 536 CA PHE A 38 -1.435 12.234 -21.219 1.00 0.00 C ATOM 537 C PHE A 38 -1.153 13.745 -21.123 1.00 0.00 C ATOM 538 O PHE A 38 -0.090 14.161 -20.639 1.00 0.00 O ATOM 539 CB PHE A 38 -2.624 11.850 -20.280 1.00 0.00 C ATOM 540 CG PHE A 38 -3.018 10.372 -20.327 1.00 0.00 C ATOM 541 CD1 PHE A 38 -2.441 9.445 -19.459 1.00 0.00 C ATOM 542 CD2 PHE A 38 -3.947 9.911 -21.253 1.00 0.00 C ATOM 543 CE1 PHE A 38 -2.781 8.107 -19.524 1.00 0.00 C ATOM 544 CE2 PHE A 38 -4.288 8.572 -21.311 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.703 7.671 -20.450 1.00 0.00 C ATOM 0 H PHE A 38 0.216 11.851 -19.997 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.716 11.972 -22.239 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.360 12.110 -19.255 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.492 12.453 -20.548 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.720 9.777 -18.727 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.409 10.608 -21.936 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.323 7.401 -18.847 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.015 8.232 -22.034 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.966 6.625 -20.500 1.00 0.00 H new ATOM 555 N ARG A 39 -2.111 14.558 -21.592 1.00 0.00 N ATOM 556 CA ARG A 39 -2.042 16.030 -21.509 1.00 0.00 C ATOM 557 C ARG A 39 -3.447 16.608 -21.392 1.00 0.00 C ATOM 558 O ARG A 39 -4.364 16.135 -22.046 1.00 0.00 O ATOM 559 CB ARG A 39 -1.328 16.621 -22.748 1.00 0.00 C ATOM 560 CG ARG A 39 -2.036 16.387 -24.105 1.00 0.00 C ATOM 561 CD ARG A 39 -1.248 16.995 -25.268 1.00 0.00 C ATOM 562 NE ARG A 39 -1.932 16.876 -26.558 1.00 0.00 N ATOM 563 CZ ARG A 39 -1.448 17.345 -27.718 1.00 0.00 C ATOM 564 NH1 ARG A 39 -0.222 17.875 -27.792 1.00 0.00 N ATOM 565 NH2 ARG A 39 -2.192 17.272 -28.805 1.00 0.00 N ATOM 0 H ARG A 39 -2.960 14.215 -22.042 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.466 16.298 -20.623 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.212 17.695 -22.600 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.326 16.197 -22.804 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.161 15.317 -24.270 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.034 16.823 -24.074 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.061 18.049 -25.060 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.276 16.506 -25.334 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.837 16.405 -26.575 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.362 17.928 -26.957 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.129 18.226 -28.683 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.125 16.862 -28.758 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.834 17.625 -29.692 1.00 0.00 H new ATOM 579 N GLN A 40 -3.603 17.658 -20.588 1.00 0.00 N ATOM 580 CA GLN A 40 -4.904 18.267 -20.318 1.00 0.00 C ATOM 581 C GLN A 40 -4.815 19.790 -20.443 1.00 0.00 C ATOM 582 O GLN A 40 -3.897 20.417 -19.908 1.00 0.00 O ATOM 583 CB GLN A 40 -5.404 17.856 -18.909 1.00 0.00 C ATOM 584 CG GLN A 40 -6.758 18.471 -18.522 1.00 0.00 C ATOM 585 CD GLN A 40 -7.318 17.930 -17.214 1.00 0.00 C ATOM 586 OE1 GLN A 40 -7.052 18.462 -16.139 1.00 0.00 O ATOM 587 NE2 GLN A 40 -8.102 16.868 -17.301 1.00 0.00 N ATOM 0 H GLN A 40 -2.828 18.112 -20.104 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.622 17.908 -21.055 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.484 16.770 -18.866 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.659 18.150 -18.170 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.647 19.552 -18.441 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.475 18.283 -19.321 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.300 16.454 -18.212 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.508 16.464 -16.457 1.00 0.00 H new ATOM 596 N ALA A 41 -5.773 20.360 -21.177 1.00 0.00 N ATOM 597 CA ALA A 41 -5.992 21.806 -21.256 1.00 0.00 C ATOM 598 C ALA A 41 -7.034 22.221 -20.184 1.00 0.00 C ATOM 599 O ALA A 41 -7.923 21.419 -19.871 1.00 0.00 O ATOM 600 CB ALA A 41 -6.455 22.171 -22.676 1.00 0.00 C ATOM 0 H ALA A 41 -6.429 19.821 -21.742 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.068 22.348 -21.055 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.619 23.247 -22.740 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.690 21.878 -23.395 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.384 21.648 -22.901 1.00 0.00 H new ATOM 606 N PRO A 42 -6.920 23.452 -19.572 1.00 0.00 N ATOM 607 CA PRO A 42 -7.893 23.945 -18.547 1.00 0.00 C ATOM 608 C PRO A 42 -9.360 23.928 -19.044 1.00 0.00 C ATOM 609 O PRO A 42 -9.695 24.591 -20.035 1.00 0.00 O ATOM 610 CB PRO A 42 -7.401 25.389 -18.250 1.00 0.00 C ATOM 611 CG PRO A 42 -5.940 25.348 -18.585 1.00 0.00 C ATOM 612 CD PRO A 42 -5.822 24.437 -19.784 1.00 0.00 C ATOM 0 HA PRO A 42 -7.914 23.307 -17.664 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.930 26.124 -18.857 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.564 25.660 -17.207 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.562 26.345 -18.812 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.356 24.969 -17.746 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.946 24.984 -20.719 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.847 23.951 -19.826 1.00 0.00 H new ATOM 620 N GLY A 43 -10.215 23.144 -18.356 1.00 0.00 N ATOM 621 CA GLY A 43 -11.628 22.984 -18.747 1.00 0.00 C ATOM 622 C GLY A 43 -11.844 21.930 -19.828 1.00 0.00 C ATOM 623 O GLY A 43 -12.917 21.874 -20.445 1.00 0.00 O ATOM 0 H GLY A 43 -9.950 22.612 -17.527 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.212 22.715 -17.867 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.009 23.941 -19.103 1.00 0.00 H new ATOM 627 N LYS A 44 -10.822 21.090 -20.058 1.00 0.00 N ATOM 628 CA LYS A 44 -10.854 20.000 -21.051 1.00 0.00 C ATOM 629 C LYS A 44 -10.422 18.682 -20.394 1.00 0.00 C ATOM 630 O LYS A 44 -9.914 18.674 -19.266 1.00 0.00 O ATOM 631 CB LYS A 44 -9.933 20.340 -22.269 1.00 0.00 C ATOM 632 CG LYS A 44 -10.490 21.411 -23.265 1.00 0.00 C ATOM 633 CD LYS A 44 -11.049 20.794 -24.579 1.00 0.00 C ATOM 634 CE LYS A 44 -12.261 19.862 -24.378 1.00 0.00 C ATOM 635 NZ LYS A 44 -12.470 18.972 -25.550 1.00 0.00 N ATOM 0 H LYS A 44 -9.937 21.148 -19.553 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.874 19.888 -21.420 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.973 20.689 -21.888 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.741 19.421 -22.823 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.280 21.979 -22.773 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.696 22.116 -23.511 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.335 21.602 -25.253 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.253 20.235 -25.071 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.111 19.257 -23.484 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.157 20.460 -24.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.324 19.269 -26.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.647 19.032 -26.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.585 17.991 -25.225 1.00 0.00 H new ATOM 649 N GLU A 45 -10.651 17.573 -21.116 1.00 0.00 N ATOM 650 CA GLU A 45 -10.233 16.217 -20.707 1.00 0.00 C ATOM 651 C GLU A 45 -8.733 16.017 -20.997 1.00 0.00 C ATOM 652 O GLU A 45 -8.109 16.829 -21.705 1.00 0.00 O ATOM 653 CB GLU A 45 -11.078 15.119 -21.442 1.00 0.00 C ATOM 654 CG GLU A 45 -10.857 14.978 -22.983 1.00 0.00 C ATOM 655 CD GLU A 45 -11.326 16.192 -23.822 1.00 0.00 C ATOM 656 OE1 GLU A 45 -10.474 17.010 -24.239 1.00 0.00 O ATOM 657 OE2 GLU A 45 -12.555 16.359 -24.015 1.00 0.00 O ATOM 0 H GLU A 45 -11.138 17.591 -22.012 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.407 16.116 -19.636 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.863 14.157 -20.978 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.133 15.328 -21.267 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.796 14.814 -23.170 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.383 14.089 -23.331 1.00 0.00 H new ATOM 664 N ARG A 46 -8.142 14.945 -20.428 1.00 0.00 N ATOM 665 CA ARG A 46 -6.755 14.560 -20.747 1.00 0.00 C ATOM 666 C ARG A 46 -6.754 13.631 -21.977 1.00 0.00 C ATOM 667 O ARG A 46 -7.443 12.603 -22.003 1.00 0.00 O ATOM 668 CB ARG A 46 -5.983 13.927 -19.529 1.00 0.00 C ATOM 669 CG ARG A 46 -6.301 12.457 -19.144 1.00 0.00 C ATOM 670 CD ARG A 46 -7.732 12.241 -18.641 1.00 0.00 C ATOM 671 NE ARG A 46 -7.981 10.840 -18.257 1.00 0.00 N ATOM 672 CZ ARG A 46 -8.890 10.432 -17.352 1.00 0.00 C ATOM 673 NH1 ARG A 46 -9.699 11.303 -16.755 1.00 0.00 N ATOM 674 NH2 ARG A 46 -8.996 9.148 -17.062 1.00 0.00 N ATOM 0 H ARG A 46 -8.601 14.336 -19.751 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.204 15.471 -20.982 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.916 13.992 -19.741 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.173 14.549 -18.654 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.132 11.820 -20.012 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.603 12.135 -18.371 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.916 12.889 -17.784 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.437 12.534 -19.419 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.419 10.122 -18.714 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.636 12.296 -16.981 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.383 10.978 -16.071 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.390 8.469 -17.523 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.684 8.835 -16.377 1.00 0.00 H new ATOM 688 N GLU A 47 -6.019 14.040 -23.015 1.00 0.00 N ATOM 689 CA GLU A 47 -5.859 13.277 -24.252 1.00 0.00 C ATOM 690 C GLU A 47 -4.599 12.409 -24.170 1.00 0.00 C ATOM 691 O GLU A 47 -3.573 12.832 -23.626 1.00 0.00 O ATOM 692 CB GLU A 47 -5.784 14.231 -25.480 1.00 0.00 C ATOM 693 CG GLU A 47 -5.619 13.529 -26.852 1.00 0.00 C ATOM 694 CD GLU A 47 -6.772 12.564 -27.196 1.00 0.00 C ATOM 695 OE1 GLU A 47 -6.609 11.330 -27.047 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.851 13.039 -27.603 1.00 0.00 O ATOM 0 H GLU A 47 -5.511 14.925 -23.018 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.727 12.629 -24.378 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.691 14.836 -25.506 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.948 14.916 -25.337 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.546 14.287 -27.632 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.680 12.976 -26.857 1.00 0.00 H new ATOM 703 N PHE A 48 -4.714 11.200 -24.730 1.00 0.00 N ATOM 704 CA PHE A 48 -3.635 10.214 -24.820 1.00 0.00 C ATOM 705 C PHE A 48 -2.502 10.739 -25.732 1.00 0.00 C ATOM 706 O PHE A 48 -2.764 11.222 -26.835 1.00 0.00 O ATOM 707 CB PHE A 48 -4.235 8.888 -25.360 1.00 0.00 C ATOM 708 CG PHE A 48 -3.255 7.723 -25.455 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.968 6.949 -24.334 1.00 0.00 C ATOM 710 CD2 PHE A 48 -2.637 7.389 -26.663 1.00 0.00 C ATOM 711 CE1 PHE A 48 -2.095 5.888 -24.412 1.00 0.00 C ATOM 712 CE2 PHE A 48 -1.760 6.326 -26.735 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.496 5.575 -25.613 1.00 0.00 C ATOM 0 H PHE A 48 -5.586 10.872 -25.145 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.197 10.036 -23.838 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.063 8.594 -24.715 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.652 9.073 -26.350 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.437 7.184 -23.390 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.848 7.969 -27.549 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.879 5.301 -23.532 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.281 6.084 -27.672 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.817 4.737 -25.674 1.00 0.00 H new ATOM 723 N VAL A 49 -1.257 10.659 -25.237 1.00 0.00 N ATOM 724 CA VAL A 49 -0.042 11.052 -25.988 1.00 0.00 C ATOM 725 C VAL A 49 0.775 9.788 -26.304 1.00 0.00 C ATOM 726 O VAL A 49 1.076 9.490 -27.468 1.00 0.00 O ATOM 727 CB VAL A 49 0.844 12.072 -25.162 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.128 12.499 -25.932 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.011 13.306 -24.730 1.00 0.00 C ATOM 0 H VAL A 49 -1.058 10.318 -24.297 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.345 11.548 -26.910 1.00 0.00 H new ATOM 0 HB VAL A 49 1.176 11.553 -24.263 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.701 13.199 -25.324 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.736 11.619 -26.143 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.847 12.979 -26.870 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.642 13.991 -24.164 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.373 13.813 -25.615 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.822 12.982 -24.107 1.00 0.00 H new ATOM 739 N ALA A 50 1.092 9.035 -25.240 1.00 0.00 N ATOM 740 CA ALA A 50 1.980 7.864 -25.304 1.00 0.00 C ATOM 741 C ALA A 50 1.628 6.859 -24.192 1.00 0.00 C ATOM 742 O ALA A 50 0.815 7.164 -23.321 1.00 0.00 O ATOM 743 CB ALA A 50 3.447 8.317 -25.189 1.00 0.00 C ATOM 0 H ALA A 50 0.736 9.223 -24.303 1.00 0.00 H new ATOM 0 HA ALA A 50 1.842 7.365 -26.263 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.101 7.447 -25.237 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.684 8.995 -26.009 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.596 8.831 -24.239 1.00 0.00 H new ATOM 749 N ALA A 51 2.227 5.654 -24.255 1.00 0.00 N ATOM 750 CA ALA A 51 2.105 4.639 -23.195 1.00 0.00 C ATOM 751 C ALA A 51 3.230 3.600 -23.301 1.00 0.00 C ATOM 752 O ALA A 51 3.483 3.025 -24.382 1.00 0.00 O ATOM 753 CB ALA A 51 0.728 3.945 -23.211 1.00 0.00 C ATOM 0 H ALA A 51 2.807 5.359 -25.040 1.00 0.00 H new ATOM 0 HA ALA A 51 2.197 5.161 -22.242 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.684 3.205 -22.412 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.056 4.688 -23.061 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.581 3.451 -24.172 1.00 0.00 H new ATOM 759 N ILE A 52 3.906 3.386 -22.167 1.00 0.00 N ATOM 760 CA ILE A 52 4.899 2.340 -22.007 1.00 0.00 C ATOM 761 C ILE A 52 4.288 1.319 -21.053 1.00 0.00 C ATOM 762 O ILE A 52 4.044 1.643 -19.900 1.00 0.00 O ATOM 763 CB ILE A 52 6.280 2.856 -21.417 1.00 0.00 C ATOM 764 CG1 ILE A 52 6.860 4.088 -22.209 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.305 1.690 -21.390 1.00 0.00 C ATOM 766 CD1 ILE A 52 6.159 5.427 -21.973 1.00 0.00 C ATOM 0 H ILE A 52 3.770 3.948 -21.327 1.00 0.00 H new ATOM 0 HA ILE A 52 5.137 1.924 -22.986 1.00 0.00 H new ATOM 0 HB ILE A 52 6.092 3.204 -20.401 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.912 4.200 -21.947 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.819 3.862 -23.274 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.252 2.047 -20.985 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.923 0.884 -20.763 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.461 1.319 -22.403 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.643 6.201 -22.569 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.112 5.346 -22.265 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.222 5.690 -20.917 1.00 0.00 H new ATOM 778 N ARG A 53 4.005 0.106 -21.545 1.00 0.00 N ATOM 779 CA ARG A 53 3.424 -0.969 -20.725 1.00 0.00 C ATOM 780 C ARG A 53 4.523 -1.872 -20.161 1.00 0.00 C ATOM 781 O ARG A 53 5.705 -1.706 -20.494 1.00 0.00 O ATOM 782 CB ARG A 53 2.413 -1.810 -21.542 1.00 0.00 C ATOM 783 CG ARG A 53 1.213 -1.010 -22.091 1.00 0.00 C ATOM 784 CD ARG A 53 0.120 -1.934 -22.642 1.00 0.00 C ATOM 785 NE ARG A 53 -0.405 -2.819 -21.587 1.00 0.00 N ATOM 786 CZ ARG A 53 -1.134 -3.926 -21.772 1.00 0.00 C ATOM 787 NH1 ARG A 53 -1.422 -4.369 -22.992 1.00 0.00 N ATOM 788 NH2 ARG A 53 -1.588 -4.569 -20.708 1.00 0.00 N ATOM 0 H ARG A 53 4.170 -0.158 -22.516 1.00 0.00 H new ATOM 0 HA ARG A 53 2.892 -0.503 -19.896 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.937 -2.274 -22.377 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.038 -2.617 -20.913 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.798 -0.387 -21.299 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.553 -0.338 -22.879 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.691 -1.336 -23.057 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.523 -2.534 -23.458 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.192 -2.563 -20.623 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.086 -3.863 -23.811 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.979 -5.215 -23.109 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.380 -4.218 -19.773 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.146 -5.415 -20.823 1.00 0.00 H new ATOM 802 N TRP A 54 4.108 -2.837 -19.309 1.00 0.00 N ATOM 803 CA TRP A 54 5.002 -3.874 -18.761 1.00 0.00 C ATOM 804 C TRP A 54 5.718 -4.616 -19.917 1.00 0.00 C ATOM 805 O TRP A 54 6.930 -4.836 -19.868 1.00 0.00 O ATOM 806 CB TRP A 54 4.192 -4.856 -17.870 1.00 0.00 C ATOM 807 CG TRP A 54 5.044 -5.871 -17.126 1.00 0.00 C ATOM 808 CD1 TRP A 54 5.782 -5.646 -15.996 1.00 0.00 C ATOM 809 CD2 TRP A 54 5.245 -7.258 -17.457 1.00 0.00 C ATOM 810 NE1 TRP A 54 6.434 -6.791 -15.620 1.00 0.00 N ATOM 811 CE2 TRP A 54 6.120 -7.794 -16.496 1.00 0.00 C ATOM 812 CE3 TRP A 54 4.769 -8.095 -18.469 1.00 0.00 C ATOM 813 CZ2 TRP A 54 6.536 -9.123 -16.522 1.00 0.00 C ATOM 814 CZ3 TRP A 54 5.182 -9.415 -18.498 1.00 0.00 C ATOM 815 CH2 TRP A 54 6.058 -9.920 -17.527 1.00 0.00 C ATOM 0 H TRP A 54 3.144 -2.916 -18.984 1.00 0.00 H new ATOM 0 HA TRP A 54 5.764 -3.407 -18.137 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.617 -4.280 -17.145 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.475 -5.389 -18.495 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.842 -4.702 -15.475 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.054 -6.881 -14.815 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.089 -7.717 -19.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.212 -9.511 -15.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.824 -10.067 -19.281 1.00 0.00 H new ATOM 0 HH2 TRP A 54 6.361 -10.956 -17.573 1.00 0.00 H new ATOM 826 N SER A 55 4.929 -4.957 -20.960 1.00 0.00 N ATOM 827 CA SER A 55 5.426 -5.512 -22.238 1.00 0.00 C ATOM 828 C SER A 55 4.305 -5.467 -23.300 1.00 0.00 C ATOM 829 O SER A 55 3.197 -4.978 -23.021 1.00 0.00 O ATOM 830 CB SER A 55 5.931 -6.963 -22.043 1.00 0.00 C ATOM 831 OG SER A 55 4.894 -7.814 -21.592 1.00 0.00 O ATOM 0 H SER A 55 3.915 -4.853 -20.937 1.00 0.00 H new ATOM 0 HA SER A 55 6.264 -4.905 -22.582 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.330 -7.341 -22.984 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.750 -6.971 -21.323 1.00 0.00 H new ATOM 0 HG SER A 55 5.052 -8.054 -20.655 1.00 0.00 H new ATOM 837 N GLY A 56 4.612 -5.963 -24.512 1.00 0.00 N ATOM 838 CA GLY A 56 3.626 -6.095 -25.584 1.00 0.00 C ATOM 839 C GLY A 56 3.293 -4.779 -26.276 1.00 0.00 C ATOM 840 O GLY A 56 2.151 -4.580 -26.714 1.00 0.00 O ATOM 0 H GLY A 56 5.547 -6.280 -24.769 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.001 -6.800 -26.326 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.711 -6.521 -25.173 1.00 0.00 H new ATOM 844 N GLY A 57 4.279 -3.873 -26.346 1.00 0.00 N ATOM 845 CA GLY A 57 4.132 -2.603 -27.048 1.00 0.00 C ATOM 846 C GLY A 57 5.141 -1.600 -26.544 1.00 0.00 C ATOM 847 O GLY A 57 6.143 -1.338 -27.205 1.00 0.00 O ATOM 0 H GLY A 57 5.195 -4.005 -25.917 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.266 -2.755 -28.119 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.123 -2.216 -26.905 1.00 0.00 H new ATOM 851 N SER A 58 4.866 -1.069 -25.335 1.00 0.00 N ATOM 852 CA SER A 58 5.758 -0.152 -24.578 1.00 0.00 C ATOM 853 C SER A 58 6.188 1.117 -25.373 1.00 0.00 C ATOM 854 O SER A 58 7.168 1.776 -25.013 1.00 0.00 O ATOM 855 CB SER A 58 6.982 -0.924 -23.982 1.00 0.00 C ATOM 856 OG SER A 58 7.768 -1.574 -24.966 1.00 0.00 O ATOM 0 H SER A 58 3.996 -1.268 -24.841 1.00 0.00 H new ATOM 0 HA SER A 58 5.163 0.232 -23.749 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.610 -0.225 -23.429 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.623 -1.664 -23.267 1.00 0.00 H new ATOM 0 HG SER A 58 7.375 -1.423 -25.851 1.00 0.00 H new ATOM 862 N THR A 59 5.360 1.511 -26.369 1.00 0.00 N ATOM 863 CA THR A 59 5.667 2.589 -27.338 1.00 0.00 C ATOM 864 C THR A 59 4.354 3.077 -27.977 1.00 0.00 C ATOM 865 O THR A 59 3.608 2.270 -28.539 1.00 0.00 O ATOM 866 CB THR A 59 6.642 2.128 -28.502 1.00 0.00 C ATOM 867 OG1 THR A 59 6.180 0.893 -29.071 1.00 0.00 O ATOM 868 CG2 THR A 59 8.116 1.978 -28.057 1.00 0.00 C ATOM 0 H THR A 59 4.447 1.083 -26.524 1.00 0.00 H new ATOM 0 HA THR A 59 6.169 3.379 -26.780 1.00 0.00 H new ATOM 0 HB THR A 59 6.622 2.923 -29.248 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.197 0.191 -28.387 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.722 1.660 -28.906 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.483 2.935 -27.687 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.183 1.233 -27.264 1.00 0.00 H new ATOM 876 N TYR A 60 4.073 4.386 -27.880 1.00 0.00 N ATOM 877 CA TYR A 60 2.915 5.022 -28.555 1.00 0.00 C ATOM 878 C TYR A 60 3.286 6.460 -28.941 1.00 0.00 C ATOM 879 O TYR A 60 3.924 7.174 -28.164 1.00 0.00 O ATOM 880 CB TYR A 60 1.627 5.009 -27.682 1.00 0.00 C ATOM 881 CG TYR A 60 0.911 3.645 -27.600 1.00 0.00 C ATOM 882 CD1 TYR A 60 0.035 3.229 -28.608 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.111 2.782 -26.525 1.00 0.00 C ATOM 884 CE1 TYR A 60 -0.614 2.012 -28.531 1.00 0.00 C ATOM 885 CE2 TYR A 60 0.467 1.567 -26.448 1.00 0.00 C ATOM 886 CZ TYR A 60 -0.390 1.189 -27.449 1.00 0.00 C ATOM 887 OH TYR A 60 -1.035 -0.018 -27.366 1.00 0.00 O ATOM 0 H TYR A 60 4.637 5.038 -27.334 1.00 0.00 H new ATOM 0 HA TYR A 60 2.688 4.438 -29.447 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.887 5.328 -26.673 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.929 5.746 -28.079 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.137 3.870 -29.460 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.786 3.072 -25.734 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.293 1.708 -29.314 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.636 0.915 -25.603 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.766 -0.477 -26.543 1.00 0.00 H new ATOM 897 N TYR A 61 2.893 6.844 -30.165 1.00 0.00 N ATOM 898 CA TYR A 61 3.236 8.135 -30.796 1.00 0.00 C ATOM 899 C TYR A 61 2.334 8.373 -32.021 1.00 0.00 C ATOM 900 O TYR A 61 1.775 7.419 -32.585 1.00 0.00 O ATOM 901 CB TYR A 61 4.756 8.174 -31.209 1.00 0.00 C ATOM 902 CG TYR A 61 5.310 6.830 -31.735 1.00 0.00 C ATOM 903 CD1 TYR A 61 4.937 6.318 -32.988 1.00 0.00 C ATOM 904 CD2 TYR A 61 6.178 6.051 -30.957 1.00 0.00 C ATOM 905 CE1 TYR A 61 5.405 5.091 -33.432 1.00 0.00 C ATOM 906 CE2 TYR A 61 6.653 4.831 -31.406 1.00 0.00 C ATOM 907 CZ TYR A 61 6.262 4.354 -32.638 1.00 0.00 C ATOM 908 OH TYR A 61 6.722 3.122 -33.072 1.00 0.00 O ATOM 0 H TYR A 61 2.313 6.253 -30.761 1.00 0.00 H new ATOM 0 HA TYR A 61 3.068 8.932 -30.072 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.892 8.935 -31.978 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.346 8.484 -30.347 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.273 6.891 -33.618 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.483 6.411 -29.985 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.100 4.712 -34.396 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.329 4.254 -30.792 1.00 0.00 H new ATOM 0 HH TYR A 61 7.316 2.737 -32.394 1.00 0.00 H new ATOM 918 N ALA A 62 2.192 9.646 -32.416 1.00 0.00 N ATOM 919 CA ALA A 62 1.561 10.033 -33.690 1.00 0.00 C ATOM 920 C ALA A 62 2.624 9.996 -34.806 1.00 0.00 C ATOM 921 O ALA A 62 3.800 10.244 -34.540 1.00 0.00 O ATOM 922 CB ALA A 62 0.926 11.436 -33.578 1.00 0.00 C ATOM 0 H ALA A 62 2.512 10.440 -31.861 1.00 0.00 H new ATOM 0 HA ALA A 62 0.763 9.331 -33.931 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.465 11.704 -34.529 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.167 11.430 -32.796 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.697 12.166 -33.330 1.00 0.00 H new ATOM 928 N ASP A 63 2.198 9.697 -36.044 1.00 0.00 N ATOM 929 CA ASP A 63 3.091 9.598 -37.220 1.00 0.00 C ATOM 930 C ASP A 63 3.808 10.936 -37.513 1.00 0.00 C ATOM 931 O ASP A 63 4.948 10.948 -37.993 1.00 0.00 O ATOM 932 CB ASP A 63 2.272 9.147 -38.458 1.00 0.00 C ATOM 933 CG ASP A 63 1.734 7.706 -38.348 1.00 0.00 C ATOM 934 OD1 ASP A 63 2.255 6.801 -39.043 1.00 0.00 O ATOM 935 OD2 ASP A 63 0.800 7.469 -37.546 1.00 0.00 O ATOM 0 H ASP A 63 1.219 9.515 -36.263 1.00 0.00 H new ATOM 0 HA ASP A 63 3.860 8.859 -36.998 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.434 9.830 -38.598 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.898 9.226 -39.347 1.00 0.00 H new ATOM 940 N SER A 64 3.130 12.055 -37.218 1.00 0.00 N ATOM 941 CA SER A 64 3.684 13.411 -37.413 1.00 0.00 C ATOM 942 C SER A 64 4.817 13.712 -36.410 1.00 0.00 C ATOM 943 O SER A 64 5.821 14.349 -36.760 1.00 0.00 O ATOM 944 CB SER A 64 2.562 14.459 -37.276 1.00 0.00 C ATOM 945 OG SER A 64 1.494 14.174 -38.167 1.00 0.00 O ATOM 0 H SER A 64 2.183 12.050 -36.838 1.00 0.00 H new ATOM 0 HA SER A 64 4.108 13.460 -38.416 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.193 14.471 -36.251 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.959 15.453 -37.483 1.00 0.00 H new ATOM 0 HG SER A 64 0.792 14.850 -38.063 1.00 0.00 H new ATOM 951 N VAL A 65 4.648 13.232 -35.156 1.00 0.00 N ATOM 952 CA VAL A 65 5.607 13.488 -34.059 1.00 0.00 C ATOM 953 C VAL A 65 6.601 12.316 -33.887 1.00 0.00 C ATOM 954 O VAL A 65 7.490 12.385 -33.037 1.00 0.00 O ATOM 955 CB VAL A 65 4.862 13.777 -32.697 1.00 0.00 C ATOM 956 CG1 VAL A 65 3.829 14.920 -32.856 1.00 0.00 C ATOM 957 CG2 VAL A 65 4.212 12.502 -32.100 1.00 0.00 C ATOM 0 H VAL A 65 3.849 12.661 -34.879 1.00 0.00 H new ATOM 0 HA VAL A 65 6.174 14.377 -34.335 1.00 0.00 H new ATOM 0 HB VAL A 65 5.618 14.106 -31.983 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.332 15.096 -31.902 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.339 15.830 -33.173 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.088 14.639 -33.605 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.712 12.752 -31.164 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.483 12.101 -32.805 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.983 11.755 -31.911 1.00 0.00 H new ATOM 967 N LYS A 66 6.434 11.245 -34.697 1.00 0.00 N ATOM 968 CA LYS A 66 7.312 10.052 -34.672 1.00 0.00 C ATOM 969 C LYS A 66 8.749 10.472 -35.034 1.00 0.00 C ATOM 970 O LYS A 66 8.959 11.140 -36.050 1.00 0.00 O ATOM 971 CB LYS A 66 6.762 8.968 -35.663 1.00 0.00 C ATOM 972 CG LYS A 66 7.364 7.530 -35.543 1.00 0.00 C ATOM 973 CD LYS A 66 8.794 7.358 -36.134 1.00 0.00 C ATOM 974 CE LYS A 66 8.873 7.681 -37.642 1.00 0.00 C ATOM 975 NZ LYS A 66 7.990 6.800 -38.451 1.00 0.00 N ATOM 0 H LYS A 66 5.686 11.184 -35.387 1.00 0.00 H new ATOM 0 HA LYS A 66 7.324 9.615 -33.673 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.683 8.897 -35.524 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.929 9.322 -36.680 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.388 7.250 -34.490 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.695 6.830 -36.044 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.484 8.007 -35.594 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.126 6.333 -35.971 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.593 8.722 -37.804 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.903 7.572 -37.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.113 7.018 -39.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.240 5.805 -38.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.999 6.960 -38.181 1.00 0.00 H new ATOM 989 N GLY A 67 9.719 10.075 -34.189 1.00 0.00 N ATOM 990 CA GLY A 67 11.136 10.409 -34.383 1.00 0.00 C ATOM 991 C GLY A 67 11.554 11.657 -33.615 1.00 0.00 C ATOM 992 O GLY A 67 12.733 11.814 -33.273 1.00 0.00 O ATOM 0 H GLY A 67 9.539 9.515 -33.356 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.751 9.567 -34.064 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.328 10.559 -35.445 1.00 0.00 H new ATOM 996 N ARG A 68 10.589 12.557 -33.355 1.00 0.00 N ATOM 997 CA ARG A 68 10.819 13.776 -32.561 1.00 0.00 C ATOM 998 C ARG A 68 10.550 13.448 -31.080 1.00 0.00 C ATOM 999 O ARG A 68 11.401 13.650 -30.207 1.00 0.00 O ATOM 1000 CB ARG A 68 9.894 14.944 -33.032 1.00 0.00 C ATOM 1001 CG ARG A 68 9.620 15.021 -34.552 1.00 0.00 C ATOM 1002 CD ARG A 68 9.003 16.376 -34.981 1.00 0.00 C ATOM 1003 NE ARG A 68 8.044 16.911 -33.980 1.00 0.00 N ATOM 1004 CZ ARG A 68 6.746 17.179 -34.196 1.00 0.00 C ATOM 1005 NH1 ARG A 68 6.156 16.831 -35.330 1.00 0.00 N ATOM 1006 NH2 ARG A 68 6.031 17.755 -33.247 1.00 0.00 N ATOM 0 H ARG A 68 9.630 12.460 -33.689 1.00 0.00 H new ATOM 0 HA ARG A 68 11.850 14.103 -32.696 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.939 14.856 -32.515 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.342 15.886 -32.715 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.553 14.864 -35.093 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.946 14.213 -34.837 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.802 17.101 -35.137 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.493 16.252 -35.937 1.00 0.00 H new ATOM 0 HE ARG A 68 8.405 17.091 -33.043 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.689 16.352 -36.056 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.169 17.042 -35.477 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.465 17.994 -32.355 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.045 17.961 -33.406 1.00 0.00 H new ATOM 1020 N PHE A 69 9.342 12.926 -30.835 1.00 0.00 N ATOM 1021 CA PHE A 69 8.895 12.483 -29.513 1.00 0.00 C ATOM 1022 C PHE A 69 9.385 11.044 -29.294 1.00 0.00 C ATOM 1023 O PHE A 69 9.069 10.140 -30.077 1.00 0.00 O ATOM 1024 CB PHE A 69 7.343 12.559 -29.404 1.00 0.00 C ATOM 1025 CG PHE A 69 6.738 13.976 -29.354 1.00 0.00 C ATOM 1026 CD1 PHE A 69 5.669 14.264 -28.499 1.00 0.00 C ATOM 1027 CD2 PHE A 69 7.207 15.010 -30.176 1.00 0.00 C ATOM 1028 CE1 PHE A 69 5.107 15.530 -28.457 1.00 0.00 C ATOM 1029 CE2 PHE A 69 6.644 16.274 -30.126 1.00 0.00 C ATOM 1030 CZ PHE A 69 5.588 16.528 -29.274 1.00 0.00 C ATOM 0 H PHE A 69 8.638 12.798 -31.562 1.00 0.00 H new ATOM 0 HA PHE A 69 9.309 13.135 -28.744 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.913 12.031 -30.255 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.035 12.022 -28.507 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.275 13.487 -27.861 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.021 14.818 -30.859 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.289 15.734 -27.781 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.032 17.062 -30.754 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.139 17.510 -29.248 1.00 0.00 H new ATOM 1040 N THR A 70 10.173 10.865 -28.237 1.00 0.00 N ATOM 1041 CA THR A 70 10.764 9.590 -27.854 1.00 0.00 C ATOM 1042 C THR A 70 10.394 9.316 -26.391 1.00 0.00 C ATOM 1043 O THR A 70 10.512 10.200 -25.539 1.00 0.00 O ATOM 1044 CB THR A 70 12.321 9.618 -28.024 1.00 0.00 C ATOM 1045 OG1 THR A 70 12.651 10.071 -29.354 1.00 0.00 O ATOM 1046 CG2 THR A 70 12.949 8.231 -27.773 1.00 0.00 C ATOM 0 H THR A 70 10.424 11.626 -27.606 1.00 0.00 H new ATOM 0 HA THR A 70 10.380 8.799 -28.499 1.00 0.00 H new ATOM 0 HB THR A 70 12.729 10.305 -27.283 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.625 10.090 -29.461 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.030 8.292 -27.901 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.721 7.907 -26.757 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.540 7.512 -28.483 1.00 0.00 H new ATOM 1054 N ILE A 71 9.927 8.098 -26.117 1.00 0.00 N ATOM 1055 CA ILE A 71 9.558 7.657 -24.760 1.00 0.00 C ATOM 1056 C ILE A 71 10.671 6.766 -24.196 1.00 0.00 C ATOM 1057 O ILE A 71 11.385 6.102 -24.958 1.00 0.00 O ATOM 1058 CB ILE A 71 8.164 6.908 -24.709 1.00 0.00 C ATOM 1059 CG1 ILE A 71 8.123 5.555 -25.517 1.00 0.00 C ATOM 1060 CG2 ILE A 71 7.029 7.852 -25.159 1.00 0.00 C ATOM 1061 CD1 ILE A 71 8.069 5.670 -27.037 1.00 0.00 C ATOM 0 H ILE A 71 9.791 7.381 -26.830 1.00 0.00 H new ATOM 0 HA ILE A 71 9.445 8.549 -24.145 1.00 0.00 H new ATOM 0 HB ILE A 71 8.016 6.626 -23.667 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.004 4.972 -25.250 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.253 4.987 -25.187 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.077 7.322 -25.118 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.991 8.717 -24.497 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.216 8.185 -26.180 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.044 4.673 -27.477 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.173 6.217 -27.329 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.951 6.202 -27.393 1.00 0.00 H new ATOM 1073 N SER A 72 10.833 6.787 -22.871 1.00 0.00 N ATOM 1074 CA SER A 72 11.891 6.044 -22.169 1.00 0.00 C ATOM 1075 C SER A 72 11.337 5.487 -20.853 1.00 0.00 C ATOM 1076 O SER A 72 10.483 6.112 -20.233 1.00 0.00 O ATOM 1077 CB SER A 72 13.097 6.977 -21.888 1.00 0.00 C ATOM 1078 OG SER A 72 13.559 7.595 -23.079 1.00 0.00 O ATOM 0 H SER A 72 10.230 7.323 -22.247 1.00 0.00 H new ATOM 0 HA SER A 72 12.228 5.217 -22.795 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.808 7.742 -21.167 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.906 6.403 -21.436 1.00 0.00 H new ATOM 0 HG SER A 72 14.319 8.178 -22.871 1.00 0.00 H new ATOM 1084 N ARG A 73 11.828 4.312 -20.449 1.00 0.00 N ATOM 1085 CA ARG A 73 11.505 3.693 -19.155 1.00 0.00 C ATOM 1086 C ARG A 73 12.762 3.006 -18.614 1.00 0.00 C ATOM 1087 O ARG A 73 13.443 2.270 -19.342 1.00 0.00 O ATOM 1088 CB ARG A 73 10.343 2.673 -19.291 1.00 0.00 C ATOM 1089 CG ARG A 73 9.989 1.919 -17.977 1.00 0.00 C ATOM 1090 CD ARG A 73 8.937 0.809 -18.173 1.00 0.00 C ATOM 1091 NE ARG A 73 9.364 -0.171 -19.193 1.00 0.00 N ATOM 1092 CZ ARG A 73 8.790 -1.357 -19.436 1.00 0.00 C ATOM 1093 NH1 ARG A 73 7.802 -1.808 -18.680 1.00 0.00 N ATOM 1094 NH2 ARG A 73 9.219 -2.084 -20.455 1.00 0.00 N ATOM 0 H ARG A 73 12.468 3.756 -21.016 1.00 0.00 H new ATOM 0 HA ARG A 73 11.175 4.466 -18.461 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.455 3.198 -19.644 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.606 1.942 -20.055 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.897 1.480 -17.563 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.618 2.636 -17.244 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.766 0.298 -17.226 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.988 1.255 -18.471 1.00 0.00 H new ATOM 0 HE ARG A 73 10.171 0.079 -19.765 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.464 -1.250 -17.896 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.378 -2.714 -18.882 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.977 -1.740 -21.044 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.791 -2.989 -20.652 1.00 0.00 H new ATOM 1108 N ASP A 74 13.055 3.265 -17.338 1.00 0.00 N ATOM 1109 CA ASP A 74 14.174 2.664 -16.606 1.00 0.00 C ATOM 1110 C ASP A 74 13.618 1.960 -15.365 1.00 0.00 C ATOM 1111 O ASP A 74 13.269 2.614 -14.377 1.00 0.00 O ATOM 1112 CB ASP A 74 15.198 3.745 -16.195 1.00 0.00 C ATOM 1113 CG ASP A 74 15.866 4.442 -17.384 1.00 0.00 C ATOM 1114 OD1 ASP A 74 16.988 4.038 -17.775 1.00 0.00 O ATOM 1115 OD2 ASP A 74 15.275 5.391 -17.941 1.00 0.00 O ATOM 0 H ASP A 74 12.509 3.913 -16.771 1.00 0.00 H new ATOM 0 HA ASP A 74 14.687 1.945 -17.245 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.697 4.493 -15.581 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.968 3.287 -15.574 1.00 0.00 H new ATOM 1120 N ASN A 75 13.542 0.624 -15.437 1.00 0.00 N ATOM 1121 CA ASN A 75 12.983 -0.236 -14.370 1.00 0.00 C ATOM 1122 C ASN A 75 13.892 -0.263 -13.109 1.00 0.00 C ATOM 1123 O ASN A 75 13.439 -0.640 -12.019 1.00 0.00 O ATOM 1124 CB ASN A 75 12.757 -1.667 -14.946 1.00 0.00 C ATOM 1125 CG ASN A 75 12.132 -2.655 -13.951 1.00 0.00 C ATOM 1126 OD1 ASN A 75 10.811 -2.640 -13.834 1.00 0.00 O flip ATOM 1127 ND2 ASN A 75 12.832 -3.408 -13.274 1.00 0.00 N flip ATOM 0 H ASN A 75 13.870 0.097 -16.247 1.00 0.00 H new ATOM 0 HA ASN A 75 12.029 0.178 -14.044 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.113 -1.596 -15.823 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.714 -2.066 -15.284 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.846 -3.399 -13.385 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.398 -4.041 -12.602 1.00 0.00 H new ATOM 1134 N ALA A 76 15.166 0.161 -13.276 1.00 0.00 N ATOM 1135 CA ALA A 76 16.172 0.210 -12.188 1.00 0.00 C ATOM 1136 C ALA A 76 15.685 1.031 -10.972 1.00 0.00 C ATOM 1137 O ALA A 76 15.800 0.588 -9.826 1.00 0.00 O ATOM 1138 CB ALA A 76 17.493 0.778 -12.730 1.00 0.00 C ATOM 0 H ALA A 76 15.528 0.481 -14.175 1.00 0.00 H new ATOM 0 HA ALA A 76 16.329 -0.809 -11.836 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.230 0.813 -11.928 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.861 0.140 -13.534 1.00 0.00 H new ATOM 0 HB3 ALA A 76 17.326 1.785 -13.113 1.00 0.00 H new ATOM 1144 N LYS A 77 15.123 2.221 -11.245 1.00 0.00 N ATOM 1145 CA LYS A 77 14.530 3.109 -10.209 1.00 0.00 C ATOM 1146 C LYS A 77 13.024 3.327 -10.475 1.00 0.00 C ATOM 1147 O LYS A 77 12.347 3.999 -9.687 1.00 0.00 O ATOM 1148 CB LYS A 77 15.287 4.481 -10.113 1.00 0.00 C ATOM 1149 CG LYS A 77 15.208 5.427 -11.345 1.00 0.00 C ATOM 1150 CD LYS A 77 16.032 4.951 -12.563 1.00 0.00 C ATOM 1151 CE LYS A 77 16.082 5.999 -13.696 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.792 7.237 -13.298 1.00 0.00 N ATOM 0 H LYS A 77 15.063 2.602 -12.189 1.00 0.00 H new ATOM 0 HA LYS A 77 14.642 2.610 -9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.900 5.020 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 77 16.338 4.273 -9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 77 14.165 5.530 -11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 77 15.554 6.418 -11.051 1.00 0.00 H new ATOM 0 HD2 LYS A 77 17.048 4.721 -12.242 1.00 0.00 H new ATOM 0 HD3 LYS A 77 15.602 4.026 -12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 77 16.576 5.565 -14.565 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.065 6.249 -13.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.467 8.029 -13.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.593 7.446 -12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 17.816 7.107 -13.427 1.00 0.00 H new ATOM 1166 N ASN A 78 12.523 2.710 -11.572 1.00 0.00 N ATOM 1167 CA ASN A 78 11.138 2.859 -12.066 1.00 0.00 C ATOM 1168 C ASN A 78 10.789 4.336 -12.315 1.00 0.00 C ATOM 1169 O ASN A 78 10.030 4.962 -11.572 1.00 0.00 O ATOM 1170 CB ASN A 78 10.113 2.131 -11.154 1.00 0.00 C ATOM 1171 CG ASN A 78 10.275 0.607 -11.218 1.00 0.00 C ATOM 1172 OD1 ASN A 78 9.679 -0.052 -12.063 1.00 0.00 O ATOM 1173 ND2 ASN A 78 11.100 0.047 -10.345 1.00 0.00 N ATOM 0 H ASN A 78 13.084 2.083 -12.148 1.00 0.00 H new ATOM 0 HA ASN A 78 11.074 2.361 -13.034 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.239 2.467 -10.125 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.101 2.402 -11.456 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.255 -0.961 -10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.580 0.624 -9.655 1.00 0.00 H new ATOM 1180 N THR A 79 11.437 4.898 -13.344 1.00 0.00 N ATOM 1181 CA THR A 79 11.201 6.270 -13.805 1.00 0.00 C ATOM 1182 C THR A 79 11.045 6.275 -15.335 1.00 0.00 C ATOM 1183 O THR A 79 11.862 5.689 -16.057 1.00 0.00 O ATOM 1184 CB THR A 79 12.370 7.215 -13.365 1.00 0.00 C ATOM 1185 OG1 THR A 79 12.460 7.246 -11.926 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.205 8.655 -13.895 1.00 0.00 C ATOM 0 H THR A 79 12.148 4.406 -13.885 1.00 0.00 H new ATOM 0 HA THR A 79 10.284 6.644 -13.350 1.00 0.00 H new ATOM 0 HB THR A 79 13.285 6.809 -13.797 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.194 7.837 -11.657 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.044 9.265 -13.559 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.180 8.641 -14.985 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.274 9.078 -13.516 1.00 0.00 H new ATOM 1194 N VAL A 80 9.988 6.948 -15.808 1.00 0.00 N ATOM 1195 CA VAL A 80 9.634 7.045 -17.231 1.00 0.00 C ATOM 1196 C VAL A 80 9.861 8.490 -17.708 1.00 0.00 C ATOM 1197 O VAL A 80 9.350 9.425 -17.101 1.00 0.00 O ATOM 1198 CB VAL A 80 8.136 6.609 -17.447 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.675 6.783 -18.914 1.00 0.00 C ATOM 1200 CG2 VAL A 80 7.922 5.150 -16.970 1.00 0.00 C ATOM 0 H VAL A 80 9.341 7.451 -15.200 1.00 0.00 H new ATOM 0 HA VAL A 80 10.265 6.376 -17.816 1.00 0.00 H new ATOM 0 HB VAL A 80 7.517 7.272 -16.843 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.636 6.468 -19.009 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.765 7.831 -19.202 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.300 6.173 -19.566 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.882 4.865 -17.126 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.570 4.483 -17.538 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.163 5.075 -15.910 1.00 0.00 H new ATOM 1210 N TYR A 81 10.650 8.655 -18.781 1.00 0.00 N ATOM 1211 CA TYR A 81 10.979 9.977 -19.359 1.00 0.00 C ATOM 1212 C TYR A 81 10.218 10.186 -20.686 1.00 0.00 C ATOM 1213 O TYR A 81 9.839 9.211 -21.356 1.00 0.00 O ATOM 1214 CB TYR A 81 12.509 10.096 -19.598 1.00 0.00 C ATOM 1215 CG TYR A 81 13.379 9.874 -18.347 1.00 0.00 C ATOM 1216 CD1 TYR A 81 13.780 8.590 -17.954 1.00 0.00 C ATOM 1217 CD2 TYR A 81 13.809 10.949 -17.563 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.563 8.395 -16.826 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.594 10.755 -16.439 1.00 0.00 C ATOM 1220 CZ TYR A 81 14.970 9.480 -16.076 1.00 0.00 C ATOM 1221 OH TYR A 81 15.742 9.287 -14.946 1.00 0.00 O ATOM 0 H TYR A 81 11.082 7.875 -19.277 1.00 0.00 H new ATOM 0 HA TYR A 81 10.673 10.749 -18.653 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.801 9.372 -20.359 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.723 11.086 -20.001 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.474 7.736 -18.540 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.523 11.953 -17.840 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.854 7.396 -16.535 1.00 0.00 H new ATOM 0 HE2 TYR A 81 14.911 11.601 -15.848 1.00 0.00 H new ATOM 0 HH TYR A 81 15.943 10.154 -14.535 1.00 0.00 H new ATOM 1231 N LEU A 82 10.003 11.463 -21.059 1.00 0.00 N ATOM 1232 CA LEU A 82 9.320 11.841 -22.311 1.00 0.00 C ATOM 1233 C LEU A 82 10.120 12.957 -23.014 1.00 0.00 C ATOM 1234 O LEU A 82 10.007 14.129 -22.651 1.00 0.00 O ATOM 1235 CB LEU A 82 7.870 12.313 -21.993 1.00 0.00 C ATOM 1236 CG LEU A 82 6.961 12.652 -23.216 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.727 11.422 -24.117 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.622 13.291 -22.760 1.00 0.00 C ATOM 0 H LEU A 82 10.299 12.263 -20.499 1.00 0.00 H new ATOM 0 HA LEU A 82 9.263 10.981 -22.978 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.379 11.535 -21.409 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.931 13.197 -21.358 1.00 0.00 H new ATOM 0 HG LEU A 82 7.490 13.390 -23.819 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.090 11.701 -24.956 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.684 11.059 -24.493 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.242 10.635 -23.539 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.010 13.516 -23.634 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.088 12.595 -22.113 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.826 14.211 -22.213 1.00 0.00 H new ATOM 1250 N GLN A 83 10.941 12.581 -24.008 1.00 0.00 N ATOM 1251 CA GLN A 83 11.733 13.536 -24.807 1.00 0.00 C ATOM 1252 C GLN A 83 10.865 14.089 -25.952 1.00 0.00 C ATOM 1253 O GLN A 83 10.672 13.428 -26.966 1.00 0.00 O ATOM 1254 CB GLN A 83 13.013 12.838 -25.358 1.00 0.00 C ATOM 1255 CG GLN A 83 13.996 13.749 -26.128 1.00 0.00 C ATOM 1256 CD GLN A 83 14.491 14.945 -25.303 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.478 14.841 -24.574 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.825 16.092 -25.433 1.00 0.00 N ATOM 0 H GLN A 83 11.076 11.608 -24.282 1.00 0.00 H new ATOM 0 HA GLN A 83 12.049 14.368 -24.178 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.546 12.385 -24.522 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.706 12.026 -26.018 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.854 13.157 -26.448 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.508 14.117 -27.031 1.00 0.00 H new ATOM 0 HE21 GLN A 83 13.011 16.143 -26.046 1.00 0.00 H new ATOM 0 HE22 GLN A 83 14.129 16.919 -24.920 1.00 0.00 H new ATOM 1267 N MET A 84 10.329 15.296 -25.762 1.00 0.00 N ATOM 1268 CA MET A 84 9.421 15.950 -26.723 1.00 0.00 C ATOM 1269 C MET A 84 10.183 16.996 -27.558 1.00 0.00 C ATOM 1270 O MET A 84 10.450 18.091 -27.071 1.00 0.00 O ATOM 1271 CB MET A 84 8.263 16.624 -25.941 1.00 0.00 C ATOM 1272 CG MET A 84 7.350 15.674 -25.167 1.00 0.00 C ATOM 1273 SD MET A 84 6.158 16.543 -24.114 1.00 0.00 S ATOM 1274 CE MET A 84 5.348 17.653 -25.260 1.00 0.00 C ATOM 0 H MET A 84 10.511 15.858 -24.930 1.00 0.00 H new ATOM 0 HA MET A 84 9.016 15.204 -27.406 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.690 17.341 -25.240 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.654 17.191 -26.645 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.811 15.041 -25.872 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.960 15.015 -24.549 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.526 18.161 -24.755 1.00 0.00 H new ATOM 0 HE2 MET A 84 6.065 18.391 -25.620 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.959 17.084 -26.104 1.00 0.00 H new ATOM 1284 N ASN A 85 10.548 16.644 -28.803 1.00 0.00 N ATOM 1285 CA ASN A 85 11.291 17.552 -29.719 1.00 0.00 C ATOM 1286 C ASN A 85 10.343 18.215 -30.728 1.00 0.00 C ATOM 1287 O ASN A 85 9.380 17.592 -31.192 1.00 0.00 O ATOM 1288 CB ASN A 85 12.415 16.786 -30.466 1.00 0.00 C ATOM 1289 CG ASN A 85 13.530 16.278 -29.547 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.321 16.041 -28.359 1.00 0.00 O ATOM 1291 ND2 ASN A 85 14.719 16.091 -30.097 1.00 0.00 N ATOM 0 H ASN A 85 10.342 15.731 -29.208 1.00 0.00 H new ATOM 0 HA ASN A 85 11.747 18.333 -29.111 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.977 15.939 -30.993 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.849 17.441 -31.221 1.00 0.00 H new ATOM 0 HD21 ASN A 85 15.493 15.741 -29.532 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.862 16.297 -31.086 1.00 0.00 H new ATOM 1298 N SER A 86 10.664 19.485 -31.062 1.00 0.00 N ATOM 1299 CA SER A 86 9.922 20.315 -32.027 1.00 0.00 C ATOM 1300 C SER A 86 8.469 20.523 -31.556 1.00 0.00 C ATOM 1301 O SER A 86 7.531 19.894 -32.053 1.00 0.00 O ATOM 1302 CB SER A 86 10.010 19.742 -33.465 1.00 0.00 C ATOM 1303 OG SER A 86 9.379 20.599 -34.407 1.00 0.00 O ATOM 0 H SER A 86 11.465 19.969 -30.657 1.00 0.00 H new ATOM 0 HA SER A 86 10.393 21.297 -32.068 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.056 19.605 -33.740 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.541 18.758 -33.495 1.00 0.00 H new ATOM 0 HG SER A 86 9.453 20.210 -35.304 1.00 0.00 H new ATOM 1309 N LEU A 87 8.330 21.362 -30.517 1.00 0.00 N ATOM 1310 CA LEU A 87 7.039 21.657 -29.872 1.00 0.00 C ATOM 1311 C LEU A 87 6.314 22.826 -30.549 1.00 0.00 C ATOM 1312 O LEU A 87 6.920 23.625 -31.259 1.00 0.00 O ATOM 1313 CB LEU A 87 7.266 21.928 -28.357 1.00 0.00 C ATOM 1314 CG LEU A 87 7.894 20.732 -27.574 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.000 21.010 -26.059 1.00 0.00 C ATOM 1316 CD2 LEU A 87 7.117 19.439 -27.860 1.00 0.00 C ATOM 0 H LEU A 87 9.116 21.859 -30.097 1.00 0.00 H new ATOM 0 HA LEU A 87 6.391 20.788 -29.983 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.915 22.797 -28.249 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.311 22.184 -27.899 1.00 0.00 H new ATOM 0 HG LEU A 87 8.916 20.606 -27.931 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.443 20.148 -25.561 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.627 21.886 -25.893 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.005 21.193 -25.652 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.567 18.614 -27.307 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.080 19.562 -27.549 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.152 19.222 -28.928 1.00 0.00 H new ATOM 1328 N LYS A 88 5.001 22.895 -30.330 1.00 0.00 N ATOM 1329 CA LYS A 88 4.128 23.949 -30.868 1.00 0.00 C ATOM 1330 C LYS A 88 3.733 24.897 -29.718 1.00 0.00 C ATOM 1331 O LYS A 88 3.649 24.450 -28.571 1.00 0.00 O ATOM 1332 CB LYS A 88 2.868 23.293 -31.494 1.00 0.00 C ATOM 1333 CG LYS A 88 3.161 22.243 -32.593 1.00 0.00 C ATOM 1334 CD LYS A 88 1.881 21.483 -33.025 1.00 0.00 C ATOM 1335 CE LYS A 88 1.277 20.661 -31.872 1.00 0.00 C ATOM 1336 NZ LYS A 88 -0.031 20.076 -32.240 1.00 0.00 N ATOM 0 H LYS A 88 4.501 22.209 -29.764 1.00 0.00 H new ATOM 0 HA LYS A 88 4.644 24.520 -31.640 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.291 22.817 -30.701 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.240 24.077 -31.918 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.599 22.738 -33.460 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.900 21.530 -32.226 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.141 22.197 -33.387 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.117 20.820 -33.857 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.966 19.864 -31.594 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.157 21.298 -30.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.200 19.220 -31.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.785 20.768 -32.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.029 19.829 -33.250 1.00 0.00 H new ATOM 1350 N PRO A 89 3.466 26.218 -29.992 1.00 0.00 N ATOM 1351 CA PRO A 89 3.075 27.193 -28.935 1.00 0.00 C ATOM 1352 C PRO A 89 1.715 26.846 -28.262 1.00 0.00 C ATOM 1353 O PRO A 89 1.395 27.367 -27.185 1.00 0.00 O ATOM 1354 CB PRO A 89 3.004 28.539 -29.706 1.00 0.00 C ATOM 1355 CG PRO A 89 2.746 28.142 -31.127 1.00 0.00 C ATOM 1356 CD PRO A 89 3.529 26.867 -31.326 1.00 0.00 C ATOM 0 HA PRO A 89 3.781 27.204 -28.104 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.208 29.176 -29.321 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.934 29.100 -29.613 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.682 27.984 -31.305 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.073 28.918 -31.819 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.087 26.240 -32.100 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.557 27.069 -31.627 1.00 0.00 H new ATOM 1364 N GLU A 90 0.934 25.960 -28.921 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.369 25.467 -28.416 1.00 0.00 C ATOM 1366 C GLU A 90 -0.199 24.348 -27.351 1.00 0.00 C ATOM 1367 O GLU A 90 -1.190 23.874 -26.783 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.239 24.969 -29.606 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.605 23.824 -30.425 1.00 0.00 C ATOM 1370 CD GLU A 90 -1.453 23.379 -31.631 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -1.983 22.251 -31.630 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -1.598 24.171 -32.590 1.00 0.00 O ATOM 0 H GLU A 90 1.192 25.564 -29.825 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.873 26.298 -27.922 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.202 24.634 -29.221 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.437 25.809 -30.272 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.375 24.143 -30.780 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.444 22.968 -29.770 1.00 0.00 H new ATOM 1379 N ASP A 91 1.061 23.942 -27.072 1.00 0.00 N ATOM 1380 CA ASP A 91 1.392 22.969 -26.003 1.00 0.00 C ATOM 1381 C ASP A 91 1.674 23.695 -24.667 1.00 0.00 C ATOM 1382 O ASP A 91 2.547 23.293 -23.889 1.00 0.00 O ATOM 1383 CB ASP A 91 2.596 22.076 -26.434 1.00 0.00 C ATOM 1384 CG ASP A 91 2.263 21.156 -27.626 1.00 0.00 C ATOM 1385 OD1 ASP A 91 2.817 21.351 -28.730 1.00 0.00 O ATOM 1386 OD2 ASP A 91 1.431 20.236 -27.457 1.00 0.00 O ATOM 0 H ASP A 91 1.878 24.279 -27.581 1.00 0.00 H new ATOM 0 HA ASP A 91 0.532 22.318 -25.846 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.439 22.714 -26.698 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.911 21.466 -25.587 1.00 0.00 H new ATOM 1391 N THR A 92 0.912 24.770 -24.400 1.00 0.00 N ATOM 1392 CA THR A 92 0.865 25.422 -23.084 1.00 0.00 C ATOM 1393 C THR A 92 -0.283 24.780 -22.275 1.00 0.00 C ATOM 1394 O THR A 92 -1.454 25.175 -22.400 1.00 0.00 O ATOM 1395 CB THR A 92 0.677 26.964 -23.239 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.757 27.486 -24.029 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.629 27.697 -21.881 1.00 0.00 C ATOM 0 H THR A 92 0.310 25.211 -25.095 1.00 0.00 H new ATOM 0 HA THR A 92 1.805 25.277 -22.552 1.00 0.00 H new ATOM 0 HB THR A 92 -0.282 27.135 -23.728 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.532 27.412 -24.980 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.497 28.766 -22.049 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.205 27.317 -21.291 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.561 27.527 -21.343 1.00 0.00 H new ATOM 1405 N ALA A 93 0.068 23.748 -21.479 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.912 22.906 -20.764 1.00 0.00 C ATOM 1407 C ALA A 93 -0.227 22.105 -19.641 1.00 0.00 C ATOM 1408 O ALA A 93 0.971 22.267 -19.386 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.620 21.965 -21.768 1.00 0.00 C ATOM 0 H ALA A 93 1.037 23.476 -21.315 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.661 23.548 -20.300 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.343 21.345 -21.238 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.136 22.559 -22.522 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.881 21.327 -22.252 1.00 0.00 H new ATOM 1415 N VAL A 94 -1.005 21.255 -18.952 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.483 20.350 -17.917 1.00 0.00 C ATOM 1417 C VAL A 94 -0.415 18.906 -18.466 1.00 0.00 C ATOM 1418 O VAL A 94 -1.440 18.272 -18.723 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.332 20.441 -16.577 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.855 20.219 -16.801 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.766 19.487 -15.493 1.00 0.00 C ATOM 0 H VAL A 94 -2.012 21.176 -19.097 1.00 0.00 H new ATOM 0 HA VAL A 94 0.529 20.663 -17.659 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.232 21.464 -16.215 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.378 20.294 -15.847 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.237 20.977 -17.485 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.020 19.230 -17.228 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.366 19.570 -14.587 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.800 18.461 -15.858 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.266 19.760 -15.271 1.00 0.00 H new ATOM 1431 N TYR A 95 0.815 18.412 -18.685 1.00 0.00 N ATOM 1432 CA TYR A 95 1.065 17.016 -19.080 1.00 0.00 C ATOM 1433 C TYR A 95 1.108 16.157 -17.812 1.00 0.00 C ATOM 1434 O TYR A 95 1.804 16.494 -16.857 1.00 0.00 O ATOM 1435 CB TYR A 95 2.391 16.891 -19.887 1.00 0.00 C ATOM 1436 CG TYR A 95 2.250 17.215 -21.390 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.452 16.231 -22.368 1.00 0.00 C ATOM 1438 CD2 TYR A 95 1.901 18.496 -21.827 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.313 16.517 -23.713 1.00 0.00 C ATOM 1440 CE2 TYR A 95 1.767 18.786 -23.176 1.00 0.00 C ATOM 1441 CZ TYR A 95 1.974 17.796 -24.112 1.00 0.00 C ATOM 1442 OH TYR A 95 1.827 18.074 -25.458 1.00 0.00 O ATOM 0 H TYR A 95 1.664 18.970 -18.593 1.00 0.00 H new ATOM 0 HA TYR A 95 0.264 16.669 -19.732 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.133 17.560 -19.451 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.774 15.876 -19.780 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.721 15.230 -22.065 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.732 19.276 -21.099 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.469 15.743 -24.450 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.501 19.784 -23.492 1.00 0.00 H new ATOM 0 HH TYR A 95 1.717 19.040 -25.582 1.00 0.00 H new ATOM 1452 N LEU A 96 0.340 15.067 -17.802 1.00 0.00 N ATOM 1453 CA LEU A 96 0.209 14.187 -16.638 1.00 0.00 C ATOM 1454 C LEU A 96 0.383 12.729 -17.069 1.00 0.00 C ATOM 1455 O LEU A 96 -0.104 12.324 -18.123 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.165 14.445 -15.933 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.485 14.191 -16.772 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -3.039 12.751 -16.595 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.580 15.245 -16.459 1.00 0.00 C ATOM 0 H LEU A 96 -0.212 14.767 -18.605 1.00 0.00 H new ATOM 0 HA LEU A 96 0.992 14.404 -15.911 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.208 13.817 -15.043 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.178 15.481 -15.593 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.201 14.300 -17.819 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.943 12.633 -17.192 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.290 12.030 -16.924 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.273 12.578 -15.545 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.468 15.035 -17.055 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.835 15.202 -15.400 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.207 16.240 -16.702 1.00 0.00 H new ATOM 1471 N CYS A 97 1.124 11.964 -16.272 1.00 0.00 N ATOM 1472 CA CYS A 97 1.285 10.521 -16.467 1.00 0.00 C ATOM 1473 C CYS A 97 0.233 9.773 -15.641 1.00 0.00 C ATOM 1474 O CYS A 97 -0.331 10.326 -14.689 1.00 0.00 O ATOM 1475 CB CYS A 97 2.689 10.084 -16.036 1.00 0.00 C ATOM 1476 SG CYS A 97 3.007 10.360 -14.288 1.00 0.00 S ATOM 0 H CYS A 97 1.634 12.328 -15.467 1.00 0.00 H new ATOM 0 HA CYS A 97 1.152 10.286 -17.523 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.818 9.025 -16.260 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.429 10.627 -16.624 1.00 0.00 H new ATOM 0 HG CYS A 97 4.279 10.552 -14.103 1.00 0.00 H new ATOM 1482 N ALA A 98 -0.036 8.528 -16.020 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.953 7.643 -15.294 1.00 0.00 C ATOM 1484 C ALA A 98 -0.287 6.277 -15.125 1.00 0.00 C ATOM 1485 O ALA A 98 0.424 5.839 -16.017 1.00 0.00 O ATOM 1486 CB ALA A 98 -2.277 7.526 -16.046 1.00 0.00 C ATOM 0 H ALA A 98 0.378 8.097 -16.847 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.171 8.055 -14.309 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.950 6.867 -15.498 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.731 8.512 -16.138 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.096 7.115 -17.039 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.532 5.600 -13.994 1.00 0.00 N ATOM 1493 CA ALA A 99 0.100 4.305 -13.686 1.00 0.00 C ATOM 1494 C ALA A 99 -0.957 3.201 -13.745 1.00 0.00 C ATOM 1495 O ALA A 99 -1.984 3.270 -13.056 1.00 0.00 O ATOM 1496 CB ALA A 99 0.773 4.330 -12.300 1.00 0.00 C ATOM 0 H ALA A 99 -1.170 5.930 -13.270 1.00 0.00 H new ATOM 0 HA ALA A 99 0.876 4.108 -14.426 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.231 3.361 -12.100 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.540 5.104 -12.282 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.025 4.542 -11.536 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.690 2.198 -14.585 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.568 1.055 -14.768 1.00 0.00 C ATOM 1504 C GLY A 100 -0.888 -0.239 -14.377 1.00 0.00 C ATOM 1505 O GLY A 100 0.295 -0.246 -13.986 1.00 0.00 O ATOM 0 H GLY A 100 0.152 2.163 -15.160 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.469 1.188 -14.169 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.883 1.001 -15.810 1.00 0.00 H new ATOM 1509 N VAL A 101 -1.635 -1.343 -14.485 1.00 0.00 N ATOM 1510 CA VAL A 101 -1.184 -2.687 -14.082 1.00 0.00 C ATOM 1511 C VAL A 101 -1.445 -3.691 -15.215 1.00 0.00 C ATOM 1512 O VAL A 101 -2.279 -3.447 -16.102 1.00 0.00 O ATOM 1513 CB VAL A 101 -1.895 -3.179 -12.754 1.00 0.00 C ATOM 1514 CG1 VAL A 101 -1.520 -2.272 -11.552 1.00 0.00 C ATOM 1515 CG2 VAL A 101 -3.437 -3.278 -12.936 1.00 0.00 C ATOM 0 H VAL A 101 -2.584 -1.332 -14.860 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.114 -2.627 -13.882 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.532 -4.183 -12.536 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.022 -2.632 -10.654 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.441 -2.297 -11.400 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.834 -1.248 -11.757 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.892 -3.618 -12.006 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.836 -2.298 -13.198 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.665 -3.987 -13.732 1.00 0.00 H new ATOM 1525 N TRP A 102 -0.733 -4.831 -15.162 1.00 0.00 N ATOM 1526 CA TRP A 102 -0.915 -5.943 -16.104 1.00 0.00 C ATOM 1527 C TRP A 102 -2.221 -6.687 -15.745 1.00 0.00 C ATOM 1528 O TRP A 102 -2.230 -7.650 -14.969 1.00 0.00 O ATOM 1529 CB TRP A 102 0.324 -6.883 -16.075 1.00 0.00 C ATOM 1530 CG TRP A 102 0.351 -7.914 -17.188 1.00 0.00 C ATOM 1531 CD1 TRP A 102 -0.025 -9.231 -17.117 1.00 0.00 C ATOM 1532 CD2 TRP A 102 0.781 -7.699 -18.543 1.00 0.00 C ATOM 1533 NE1 TRP A 102 0.138 -9.833 -18.338 1.00 0.00 N ATOM 1534 CE2 TRP A 102 0.636 -8.917 -19.226 1.00 0.00 C ATOM 1535 CE3 TRP A 102 1.274 -6.589 -19.239 1.00 0.00 C ATOM 1536 CZ2 TRP A 102 0.966 -9.058 -20.571 1.00 0.00 C ATOM 1537 CZ3 TRP A 102 1.604 -6.729 -20.573 1.00 0.00 C ATOM 1538 CH2 TRP A 102 1.449 -7.956 -21.228 1.00 0.00 C ATOM 0 H TRP A 102 -0.013 -5.005 -14.461 1.00 0.00 H new ATOM 0 HA TRP A 102 -1.001 -5.567 -17.124 1.00 0.00 H new ATOM 0 HB2 TRP A 102 1.227 -6.276 -16.136 1.00 0.00 H new ATOM 0 HB3 TRP A 102 0.351 -7.400 -15.116 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.395 -9.722 -16.229 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -0.077 -10.807 -18.551 1.00 0.00 H new ATOM 0 HE3 TRP A 102 1.394 -5.638 -18.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 0.846 -10.003 -21.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 1.987 -5.879 -21.118 1.00 0.00 H new ATOM 0 HH2 TRP A 102 1.715 -8.036 -22.272 1.00 0.00 H new ATOM 1549 N ARG A 103 -3.324 -6.152 -16.284 1.00 0.00 N ATOM 1550 CA ARG A 103 -4.705 -6.591 -15.993 1.00 0.00 C ATOM 1551 C ARG A 103 -5.029 -7.939 -16.686 1.00 0.00 C ATOM 1552 O ARG A 103 -4.474 -8.243 -17.751 1.00 0.00 O ATOM 1553 CB ARG A 103 -5.673 -5.465 -16.456 1.00 0.00 C ATOM 1554 CG ARG A 103 -7.176 -5.700 -16.190 1.00 0.00 C ATOM 1555 CD ARG A 103 -8.035 -4.536 -16.704 1.00 0.00 C ATOM 1556 NE ARG A 103 -9.483 -4.772 -16.555 1.00 0.00 N ATOM 1557 CZ ARG A 103 -10.432 -4.251 -17.358 1.00 0.00 C ATOM 1558 NH1 ARG A 103 -10.100 -3.532 -18.431 1.00 0.00 N ATOM 1559 NH2 ARG A 103 -11.703 -4.465 -17.089 1.00 0.00 N ATOM 0 H ARG A 103 -3.285 -5.382 -16.952 1.00 0.00 H new ATOM 0 HA ARG A 103 -4.822 -6.763 -14.923 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -5.380 -4.538 -15.963 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.535 -5.314 -17.527 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.490 -6.625 -16.674 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -7.340 -5.828 -15.120 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.764 -3.628 -16.165 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.808 -4.362 -17.756 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.788 -5.373 -15.789 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.118 -3.370 -18.653 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -10.829 -3.144 -19.030 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.965 -5.023 -16.276 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.425 -4.073 -17.693 1.00 0.00 H new ATOM 1573 N SER A 104 -5.940 -8.729 -16.062 1.00 0.00 N ATOM 1574 CA SER A 104 -6.363 -10.073 -16.546 1.00 0.00 C ATOM 1575 C SER A 104 -6.979 -10.015 -17.961 1.00 0.00 C ATOM 1576 O SER A 104 -6.765 -10.920 -18.780 1.00 0.00 O ATOM 1577 CB SER A 104 -7.388 -10.682 -15.561 1.00 0.00 C ATOM 1578 OG SER A 104 -6.850 -10.799 -14.256 1.00 0.00 O ATOM 0 H SER A 104 -6.408 -8.450 -15.200 1.00 0.00 H new ATOM 0 HA SER A 104 -5.472 -10.699 -16.598 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.281 -10.058 -15.532 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.697 -11.665 -15.917 1.00 0.00 H new ATOM 0 HG SER A 104 -7.523 -11.185 -13.658 1.00 0.00 H new ATOM 1584 N SER A 105 -7.737 -8.932 -18.226 1.00 0.00 N ATOM 1585 CA SER A 105 -8.370 -8.680 -19.534 1.00 0.00 C ATOM 1586 C SER A 105 -7.317 -8.472 -20.646 1.00 0.00 C ATOM 1587 O SER A 105 -7.593 -8.715 -21.824 1.00 0.00 O ATOM 1588 CB SER A 105 -9.285 -7.435 -19.421 1.00 0.00 C ATOM 1589 OG SER A 105 -9.886 -7.095 -20.664 1.00 0.00 O ATOM 0 H SER A 105 -7.927 -8.206 -17.536 1.00 0.00 H new ATOM 0 HA SER A 105 -8.962 -9.553 -19.808 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.064 -7.625 -18.683 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.701 -6.589 -19.058 1.00 0.00 H new ATOM 0 HG SER A 105 -10.455 -6.306 -20.547 1.00 0.00 H new ATOM 1595 N GLY A 106 -6.109 -8.030 -20.248 1.00 0.00 N ATOM 1596 CA GLY A 106 -5.043 -7.672 -21.193 1.00 0.00 C ATOM 1597 C GLY A 106 -5.059 -6.179 -21.521 1.00 0.00 C ATOM 1598 O GLY A 106 -4.017 -5.594 -21.819 1.00 0.00 O ATOM 0 H GLY A 106 -5.849 -7.913 -19.269 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.075 -7.942 -20.770 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -5.161 -8.248 -22.111 1.00 0.00 H new ATOM 1602 N TRP A 107 -6.265 -5.573 -21.469 1.00 0.00 N ATOM 1603 CA TRP A 107 -6.456 -4.122 -21.613 1.00 0.00 C ATOM 1604 C TRP A 107 -5.894 -3.419 -20.368 1.00 0.00 C ATOM 1605 O TRP A 107 -6.369 -3.661 -19.257 1.00 0.00 O ATOM 1606 CB TRP A 107 -7.966 -3.792 -21.814 1.00 0.00 C ATOM 1607 CG TRP A 107 -8.268 -2.318 -21.988 1.00 0.00 C ATOM 1608 CD1 TRP A 107 -8.660 -1.434 -21.018 1.00 0.00 C ATOM 1609 CD2 TRP A 107 -8.196 -1.560 -23.207 1.00 0.00 C ATOM 1610 NE1 TRP A 107 -8.828 -0.188 -21.555 1.00 0.00 N ATOM 1611 CE2 TRP A 107 -8.551 -0.236 -22.895 1.00 0.00 C ATOM 1612 CE3 TRP A 107 -7.862 -1.874 -24.528 1.00 0.00 C ATOM 1613 CZ2 TRP A 107 -8.584 0.773 -23.855 1.00 0.00 C ATOM 1614 CZ3 TRP A 107 -7.892 -0.872 -25.481 1.00 0.00 C ATOM 1615 CH2 TRP A 107 -8.251 0.439 -25.140 1.00 0.00 C ATOM 0 H TRP A 107 -7.136 -6.084 -21.325 1.00 0.00 H new ATOM 0 HA TRP A 107 -5.922 -3.764 -22.493 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.329 -4.330 -22.689 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.524 -4.166 -20.956 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.814 -1.685 -19.979 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -9.114 0.644 -21.040 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.585 -2.882 -24.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -8.863 1.783 -23.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -7.635 -1.104 -26.504 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -8.265 1.200 -25.906 1.00 0.00 H new ATOM 1626 N ASP A 108 -4.874 -2.565 -20.565 1.00 0.00 N ATOM 1627 CA ASP A 108 -4.217 -1.833 -19.461 1.00 0.00 C ATOM 1628 C ASP A 108 -5.125 -0.673 -19.015 1.00 0.00 C ATOM 1629 O ASP A 108 -5.737 -0.001 -19.855 1.00 0.00 O ATOM 1630 CB ASP A 108 -2.822 -1.303 -19.904 1.00 0.00 C ATOM 1631 CG ASP A 108 -1.804 -1.215 -18.748 1.00 0.00 C ATOM 1632 OD1 ASP A 108 -0.933 -2.121 -18.646 1.00 0.00 O ATOM 1633 OD2 ASP A 108 -1.880 -0.261 -17.941 1.00 0.00 O ATOM 0 H ASP A 108 -4.483 -2.362 -21.485 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.061 -2.511 -18.622 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.423 -1.956 -20.680 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.942 -0.315 -20.349 1.00 0.00 H new ATOM 1638 N THR A 109 -5.206 -0.449 -17.704 1.00 0.00 N ATOM 1639 CA THR A 109 -6.128 0.528 -17.102 1.00 0.00 C ATOM 1640 C THR A 109 -5.364 1.469 -16.149 1.00 0.00 C ATOM 1641 O THR A 109 -4.673 0.980 -15.254 1.00 0.00 O ATOM 1642 CB THR A 109 -7.271 -0.202 -16.316 1.00 0.00 C ATOM 1643 OG1 THR A 109 -6.702 -1.163 -15.409 1.00 0.00 O ATOM 1644 CG2 THR A 109 -8.264 -0.906 -17.255 1.00 0.00 C ATOM 0 H THR A 109 -4.631 -0.941 -17.020 1.00 0.00 H new ATOM 0 HA THR A 109 -6.572 1.115 -17.906 1.00 0.00 H new ATOM 0 HB THR A 109 -7.822 0.558 -15.762 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.903 -0.782 -14.988 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.037 -1.397 -16.665 1.00 0.00 H new ATOM 0 HG22 THR A 109 -8.724 -0.171 -17.915 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.736 -1.650 -17.852 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.456 2.831 -16.337 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.888 3.812 -15.381 1.00 0.00 C ATOM 1654 C PRO A 110 -5.552 3.707 -13.986 1.00 0.00 C ATOM 1655 O PRO A 110 -6.600 4.311 -13.738 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.165 5.191 -16.056 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.394 4.868 -17.501 1.00 0.00 C ATOM 1658 CD PRO A 110 -6.068 3.515 -17.511 1.00 0.00 C ATOM 0 HA PRO A 110 -3.827 3.646 -15.192 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.035 5.679 -15.617 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.321 5.870 -15.931 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.021 5.622 -17.977 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.453 4.842 -18.051 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.150 3.602 -17.410 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.877 2.975 -18.438 1.00 0.00 H new ATOM 1666 N ASP A 111 -4.965 2.875 -13.104 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.411 2.726 -11.696 1.00 0.00 C ATOM 1668 C ASP A 111 -5.000 3.943 -10.858 1.00 0.00 C ATOM 1669 O ASP A 111 -5.600 4.228 -9.817 1.00 0.00 O ATOM 1670 CB ASP A 111 -4.838 1.414 -11.083 1.00 0.00 C ATOM 1671 CG ASP A 111 -5.598 0.160 -11.554 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -6.461 -0.343 -10.796 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -5.361 -0.317 -12.685 1.00 0.00 O ATOM 0 H ASP A 111 -4.168 2.285 -13.343 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.499 2.666 -11.686 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.786 1.320 -11.353 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.883 1.475 -9.996 1.00 0.00 H new ATOM 1678 N TYR A 112 -3.958 4.645 -11.322 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.440 5.859 -10.687 1.00 0.00 C ATOM 1680 C TYR A 112 -3.219 6.928 -11.758 1.00 0.00 C ATOM 1681 O TYR A 112 -3.068 6.609 -12.942 1.00 0.00 O ATOM 1682 CB TYR A 112 -2.102 5.564 -9.944 1.00 0.00 C ATOM 1683 CG TYR A 112 -2.206 4.438 -8.905 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -1.824 3.124 -9.215 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -2.723 4.679 -7.631 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -1.951 2.106 -8.285 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -2.843 3.664 -6.703 1.00 0.00 C ATOM 1688 CZ TYR A 112 -2.460 2.381 -7.035 1.00 0.00 C ATOM 1689 OH TYR A 112 -2.595 1.369 -6.109 1.00 0.00 O ATOM 0 H TYR A 112 -3.445 4.379 -12.162 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.164 6.215 -9.954 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.340 5.300 -10.678 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.764 6.474 -9.448 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.425 2.903 -10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -3.035 5.678 -7.366 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.652 1.100 -8.539 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.236 3.874 -5.719 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.905 0.690 -6.263 1.00 0.00 H new ATOM 1699 N TRP A 113 -3.250 8.190 -11.331 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.844 9.349 -12.138 1.00 0.00 C ATOM 1701 C TRP A 113 -1.824 10.142 -11.325 1.00 0.00 C ATOM 1702 O TRP A 113 -1.751 9.998 -10.093 1.00 0.00 O ATOM 1703 CB TRP A 113 -4.072 10.226 -12.534 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.996 9.565 -13.543 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.937 9.678 -14.909 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -6.103 8.686 -13.266 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -5.930 8.928 -15.487 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.658 8.315 -14.503 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.677 8.179 -12.091 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.755 7.467 -14.603 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.766 7.336 -12.192 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -8.295 6.986 -13.441 1.00 0.00 C ATOM 0 H TRP A 113 -3.564 8.445 -10.395 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.397 9.017 -13.075 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.641 10.465 -11.636 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.715 11.170 -12.946 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -4.214 10.271 -15.450 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.099 8.841 -16.489 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.274 8.443 -11.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.167 7.197 -15.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -8.217 6.940 -11.294 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.146 6.323 -13.488 1.00 0.00 H new ATOM 1723 N GLY A 114 -1.025 10.954 -12.017 1.00 0.00 N ATOM 1724 CA GLY A 114 0.048 11.704 -11.385 1.00 0.00 C ATOM 1725 C GLY A 114 -0.402 13.048 -10.853 1.00 0.00 C ATOM 1726 O GLY A 114 -1.603 13.343 -10.800 1.00 0.00 O ATOM 0 H GLY A 114 -1.106 11.106 -13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.462 11.115 -10.566 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.851 11.856 -12.106 1.00 0.00 H new ATOM 1730 N GLN A 115 0.578 13.863 -10.451 1.00 0.00 N ATOM 1731 CA GLN A 115 0.345 15.223 -9.929 1.00 0.00 C ATOM 1732 C GLN A 115 0.282 16.246 -11.081 1.00 0.00 C ATOM 1733 O GLN A 115 -0.290 17.332 -10.925 1.00 0.00 O ATOM 1734 CB GLN A 115 1.457 15.592 -8.906 1.00 0.00 C ATOM 1735 CG GLN A 115 2.900 15.482 -9.438 1.00 0.00 C ATOM 1736 CD GLN A 115 3.949 15.739 -8.357 1.00 0.00 C ATOM 1737 OE1 GLN A 115 4.294 14.697 -7.614 1.00 0.00 O flip ATOM 1738 NE2 GLN A 115 4.417 16.861 -8.169 1.00 0.00 N flip ATOM 0 H GLN A 115 1.563 13.601 -10.477 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.617 15.247 -9.417 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.290 16.613 -8.564 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.357 14.944 -8.035 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.053 14.488 -9.858 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.039 16.196 -10.250 1.00 0.00 H new ATOM 0 HE21 GLN A 115 4.128 17.640 -8.761 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.094 17.012 -7.421 1.00 0.00 H new ATOM 1747 N GLY A 116 0.860 15.872 -12.236 1.00 0.00 N ATOM 1748 CA GLY A 116 0.921 16.731 -13.416 1.00 0.00 C ATOM 1749 C GLY A 116 2.133 17.654 -13.405 1.00 0.00 C ATOM 1750 O GLY A 116 2.703 17.936 -12.341 1.00 0.00 O ATOM 0 H GLY A 116 1.298 14.961 -12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.949 16.111 -14.312 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.012 17.331 -13.472 1.00 0.00 H new ATOM 1754 N THR A 117 2.515 18.134 -14.595 1.00 0.00 N ATOM 1755 CA THR A 117 3.629 19.069 -14.777 1.00 0.00 C ATOM 1756 C THR A 117 3.222 20.131 -15.821 1.00 0.00 C ATOM 1757 O THR A 117 2.883 19.805 -16.969 1.00 0.00 O ATOM 1758 CB THR A 117 4.964 18.328 -15.162 1.00 0.00 C ATOM 1759 OG1 THR A 117 6.040 19.263 -15.280 1.00 0.00 O ATOM 1760 CG2 THR A 117 4.848 17.500 -16.454 1.00 0.00 C ATOM 0 H THR A 117 2.053 17.880 -15.468 1.00 0.00 H new ATOM 0 HA THR A 117 3.838 19.569 -13.831 1.00 0.00 H new ATOM 0 HB THR A 117 5.168 17.627 -14.352 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.743 19.035 -14.636 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.802 17.015 -16.662 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.075 16.742 -16.332 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.585 18.156 -17.284 1.00 0.00 H new ATOM 1768 N GLN A 118 3.189 21.399 -15.382 1.00 0.00 N ATOM 1769 CA GLN A 118 2.767 22.533 -16.213 1.00 0.00 C ATOM 1770 C GLN A 118 3.890 22.952 -17.170 1.00 0.00 C ATOM 1771 O GLN A 118 4.881 23.563 -16.756 1.00 0.00 O ATOM 1772 CB GLN A 118 2.322 23.730 -15.316 1.00 0.00 C ATOM 1773 CG GLN A 118 0.975 23.519 -14.571 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.298 23.848 -15.393 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -0.266 23.722 -16.724 1.00 0.00 O flip ATOM 1776 NE2 GLN A 118 -1.318 24.230 -14.821 1.00 0.00 N flip ATOM 0 H GLN A 118 3.456 21.666 -14.435 1.00 0.00 H new ATOM 0 HA GLN A 118 1.913 22.222 -16.814 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.102 23.924 -14.580 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.242 24.622 -15.938 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.918 22.480 -14.245 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.976 24.135 -13.672 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.329 24.322 -13.805 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -2.153 24.455 -15.363 1.00 0.00 H new ATOM 1785 N VAL A 119 3.737 22.567 -18.445 1.00 0.00 N ATOM 1786 CA VAL A 119 4.630 22.993 -19.533 1.00 0.00 C ATOM 1787 C VAL A 119 4.033 24.250 -20.200 1.00 0.00 C ATOM 1788 O VAL A 119 2.804 24.400 -20.286 1.00 0.00 O ATOM 1789 CB VAL A 119 4.842 21.842 -20.600 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.371 20.550 -19.930 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.553 21.553 -21.411 1.00 0.00 C ATOM 0 H VAL A 119 2.987 21.948 -18.752 1.00 0.00 H new ATOM 0 HA VAL A 119 5.610 23.223 -19.116 1.00 0.00 H new ATOM 0 HB VAL A 119 5.595 22.197 -21.304 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.507 19.777 -20.687 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.326 20.756 -19.446 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.653 20.206 -19.185 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.746 20.757 -22.130 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.758 21.244 -20.733 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.247 22.455 -21.942 1.00 0.00 H new ATOM 1801 N THR A 120 4.898 25.173 -20.617 1.00 0.00 N ATOM 1802 CA THR A 120 4.493 26.367 -21.370 1.00 0.00 C ATOM 1803 C THR A 120 5.447 26.547 -22.548 1.00 0.00 C ATOM 1804 O THR A 120 6.569 27.008 -22.380 1.00 0.00 O ATOM 1805 CB THR A 120 4.496 27.643 -20.451 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.578 27.453 -19.357 1.00 0.00 O ATOM 1807 CG2 THR A 120 4.120 28.937 -21.210 1.00 0.00 C ATOM 0 H THR A 120 5.902 25.117 -20.444 1.00 0.00 H new ATOM 0 HA THR A 120 3.475 26.236 -21.737 1.00 0.00 H new ATOM 0 HB THR A 120 5.516 27.766 -20.086 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.582 28.248 -18.784 1.00 0.00 H new ATOM 0 HG21 THR A 120 4.140 29.782 -20.521 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.835 29.108 -22.015 1.00 0.00 H new ATOM 0 HG23 THR A 120 3.119 28.835 -21.630 1.00 0.00 H new ATOM 1815 N VAL A 121 5.017 26.172 -23.749 1.00 0.00 N ATOM 1816 CA VAL A 121 5.832 26.380 -24.941 1.00 0.00 C ATOM 1817 C VAL A 121 5.532 27.788 -25.467 1.00 0.00 C ATOM 1818 O VAL A 121 4.498 28.011 -26.108 1.00 0.00 O ATOM 1819 CB VAL A 121 5.560 25.289 -26.035 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.511 25.456 -27.249 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.661 23.867 -25.425 1.00 0.00 C ATOM 0 H VAL A 121 4.116 25.726 -23.922 1.00 0.00 H new ATOM 0 HA VAL A 121 6.888 26.288 -24.687 1.00 0.00 H new ATOM 0 HB VAL A 121 4.543 25.425 -26.403 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.296 24.684 -27.988 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.361 26.439 -27.696 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.545 25.362 -26.917 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.469 23.124 -26.199 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.661 23.716 -25.017 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.924 23.759 -24.629 1.00 0.00 H new ATOM 1831 N SER A 122 6.401 28.755 -25.096 1.00 0.00 N ATOM 1832 CA SER A 122 6.281 30.141 -25.564 1.00 0.00 C ATOM 1833 C SER A 122 6.585 30.216 -27.074 1.00 0.00 C ATOM 1834 O SER A 122 7.419 29.459 -27.578 1.00 0.00 O ATOM 1835 CB SER A 122 7.230 31.060 -24.771 1.00 0.00 C ATOM 1836 OG SER A 122 6.972 32.427 -25.052 1.00 0.00 O ATOM 0 H SER A 122 7.192 28.594 -24.473 1.00 0.00 H new ATOM 0 HA SER A 122 5.259 30.483 -25.398 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.111 30.876 -23.703 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.264 30.823 -25.022 1.00 0.00 H new ATOM 0 HG SER A 122 7.818 32.890 -25.228 1.00 0.00 H new ATOM 1842 N SER A 123 5.896 31.124 -27.776 1.00 0.00 N ATOM 1843 CA SER A 123 6.010 31.271 -29.232 1.00 0.00 C ATOM 1844 C SER A 123 7.353 31.948 -29.596 1.00 0.00 C ATOM 1845 O SER A 123 7.416 33.171 -29.725 1.00 0.00 O ATOM 1846 CB SER A 123 4.802 32.075 -29.763 1.00 0.00 C ATOM 1847 OG SER A 123 4.849 32.249 -31.170 1.00 0.00 O ATOM 0 H SER A 123 5.242 31.779 -27.349 1.00 0.00 H new ATOM 0 HA SER A 123 6.000 30.289 -29.705 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.879 31.561 -29.493 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.777 33.051 -29.279 1.00 0.00 H new ATOM 0 HG SER A 123 4.066 32.761 -31.463 1.00 0.00 H new ATOM 1853 N LEU A 124 8.419 31.117 -29.697 1.00 0.00 N ATOM 1854 CA LEU A 124 9.808 31.532 -30.024 1.00 0.00 C ATOM 1855 C LEU A 124 10.475 32.334 -28.865 1.00 0.00 C ATOM 1856 O LEU A 124 11.445 31.879 -28.259 1.00 0.00 O ATOM 1857 CB LEU A 124 9.907 32.301 -31.391 1.00 0.00 C ATOM 1858 CG LEU A 124 9.774 31.457 -32.709 1.00 0.00 C ATOM 1859 CD1 LEU A 124 10.832 30.340 -32.768 1.00 0.00 C ATOM 1860 CD2 LEU A 124 8.349 30.895 -32.902 1.00 0.00 C ATOM 0 H LEU A 124 8.335 30.111 -29.549 1.00 0.00 H new ATOM 0 HA LEU A 124 10.374 30.608 -30.143 1.00 0.00 H new ATOM 0 HB2 LEU A 124 9.132 33.067 -31.403 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.866 32.818 -31.418 1.00 0.00 H new ATOM 0 HG LEU A 124 9.960 32.137 -33.541 1.00 0.00 H new ATOM 0 HD11 LEU A 124 10.713 29.774 -33.692 1.00 0.00 H new ATOM 0 HD12 LEU A 124 11.828 30.781 -32.738 1.00 0.00 H new ATOM 0 HD13 LEU A 124 10.705 29.673 -31.915 1.00 0.00 H new ATOM 0 HD21 LEU A 124 8.307 30.319 -33.826 1.00 0.00 H new ATOM 0 HD22 LEU A 124 8.095 30.250 -32.061 1.00 0.00 H new ATOM 0 HD23 LEU A 124 7.637 31.719 -32.955 1.00 0.00 H new ATOM 1872 N GLU A 125 9.945 33.519 -28.574 1.00 0.00 N ATOM 1873 CA GLU A 125 10.490 34.440 -27.558 1.00 0.00 C ATOM 1874 C GLU A 125 10.293 33.887 -26.130 1.00 0.00 C ATOM 1875 O GLU A 125 9.170 33.893 -25.616 1.00 0.00 O ATOM 1876 CB GLU A 125 9.793 35.818 -27.696 1.00 0.00 C ATOM 1877 CG GLU A 125 9.822 36.403 -29.122 1.00 0.00 C ATOM 1878 CD GLU A 125 9.079 37.737 -29.226 1.00 0.00 C ATOM 1879 OE1 GLU A 125 7.837 37.728 -29.327 1.00 0.00 O ATOM 1880 OE2 GLU A 125 9.730 38.803 -29.201 1.00 0.00 O ATOM 0 H GLU A 125 9.112 33.880 -29.040 1.00 0.00 H new ATOM 0 HA GLU A 125 11.562 34.546 -27.725 1.00 0.00 H new ATOM 0 HB2 GLU A 125 8.755 35.721 -27.377 1.00 0.00 H new ATOM 0 HB3 GLU A 125 10.271 36.524 -27.016 1.00 0.00 H new ATOM 0 HG2 GLU A 125 10.857 36.543 -29.432 1.00 0.00 H new ATOM 0 HG3 GLU A 125 9.376 35.688 -29.813 1.00 0.00 H new ATOM 1887 N HIS A 126 11.387 33.405 -25.503 1.00 0.00 N ATOM 1888 CA HIS A 126 11.359 32.937 -24.103 1.00 0.00 C ATOM 1889 C HIS A 126 11.258 34.156 -23.152 1.00 0.00 C ATOM 1890 O HIS A 126 12.060 35.092 -23.253 1.00 0.00 O ATOM 1891 CB HIS A 126 12.599 32.043 -23.781 1.00 0.00 C ATOM 1892 CG HIS A 126 13.951 32.706 -23.922 1.00 0.00 C ATOM 1893 ND1 HIS A 126 14.686 32.669 -25.084 1.00 0.00 N ATOM 1894 CD2 HIS A 126 14.703 33.401 -23.034 1.00 0.00 C ATOM 1895 CE1 HIS A 126 15.824 33.308 -24.906 1.00 0.00 C ATOM 1896 NE2 HIS A 126 15.859 33.764 -23.672 1.00 0.00 N ATOM 0 H HIS A 126 12.302 33.330 -25.947 1.00 0.00 H new ATOM 0 HA HIS A 126 10.479 32.311 -23.952 1.00 0.00 H new ATOM 0 HB2 HIS A 126 12.502 31.676 -22.759 1.00 0.00 H new ATOM 0 HB3 HIS A 126 12.574 31.172 -24.436 1.00 0.00 H new ATOM 0 HD2 HIS A 126 14.439 33.627 -22.011 1.00 0.00 H new ATOM 0 HE1 HIS A 126 16.598 33.436 -25.648 1.00 0.00 H new ATOM 0 HE2 HIS A 126 16.622 34.300 -23.259 1.00 0.00 H new ATOM 1905 N HIS A 127 10.256 34.153 -22.249 1.00 0.00 N ATOM 1906 CA HIS A 127 9.990 35.295 -21.359 1.00 0.00 C ATOM 1907 C HIS A 127 9.384 34.804 -20.031 1.00 0.00 C ATOM 1908 O HIS A 127 8.229 34.368 -19.988 1.00 0.00 O ATOM 1909 CB HIS A 127 9.046 36.314 -22.064 1.00 0.00 C ATOM 1910 CG HIS A 127 8.829 37.595 -21.300 1.00 0.00 C ATOM 1911 ND1 HIS A 127 9.729 38.639 -21.316 1.00 0.00 N ATOM 1912 CD2 HIS A 127 7.811 38.000 -20.505 1.00 0.00 C ATOM 1913 CE1 HIS A 127 9.277 39.623 -20.565 1.00 0.00 C ATOM 1914 NE2 HIS A 127 8.116 39.262 -20.063 1.00 0.00 N ATOM 0 H HIS A 127 9.618 33.368 -22.119 1.00 0.00 H new ATOM 0 HA HIS A 127 10.930 35.800 -21.135 1.00 0.00 H new ATOM 0 HB2 HIS A 127 9.459 36.555 -23.044 1.00 0.00 H new ATOM 0 HB3 HIS A 127 8.080 35.838 -22.233 1.00 0.00 H new ATOM 0 HD2 HIS A 127 6.923 37.434 -20.264 1.00 0.00 H new ATOM 0 HE1 HIS A 127 9.775 40.565 -20.391 1.00 0.00 H new ATOM 0 HE2 HIS A 127 7.536 39.829 -19.445 1.00 0.00 H new ATOM 1923 N HIS A 128 10.202 34.858 -18.965 1.00 0.00 N ATOM 1924 CA HIS A 128 9.786 34.568 -17.579 1.00 0.00 C ATOM 1925 C HIS A 128 10.793 35.226 -16.613 1.00 0.00 C ATOM 1926 O HIS A 128 11.718 34.586 -16.106 1.00 0.00 O ATOM 1927 CB HIS A 128 9.612 33.030 -17.319 1.00 0.00 C ATOM 1928 CG HIS A 128 10.802 32.157 -17.675 1.00 0.00 C ATOM 1929 ND1 HIS A 128 11.821 31.876 -16.789 1.00 0.00 N ATOM 1930 CD2 HIS A 128 11.123 31.514 -18.819 1.00 0.00 C ATOM 1931 CE1 HIS A 128 12.714 31.105 -17.375 1.00 0.00 C ATOM 1932 NE2 HIS A 128 12.312 30.866 -18.606 1.00 0.00 N ATOM 0 H HIS A 128 11.188 35.109 -19.043 1.00 0.00 H new ATOM 0 HA HIS A 128 8.799 34.996 -17.402 1.00 0.00 H new ATOM 0 HB2 HIS A 128 9.382 32.884 -16.264 1.00 0.00 H new ATOM 0 HB3 HIS A 128 8.748 32.681 -17.885 1.00 0.00 H new ATOM 0 HD2 HIS A 128 10.548 31.511 -19.733 1.00 0.00 H new ATOM 0 HE1 HIS A 128 13.621 30.732 -16.923 1.00 0.00 H new ATOM 0 HE2 HIS A 128 12.805 30.292 -19.290 1.00 0.00 H new ATOM 1941 N HIS A 129 10.624 36.546 -16.422 1.00 0.00 N ATOM 1942 CA HIS A 129 11.552 37.386 -15.641 1.00 0.00 C ATOM 1943 C HIS A 129 10.993 37.555 -14.211 1.00 0.00 C ATOM 1944 O HIS A 129 9.989 38.242 -14.017 1.00 0.00 O ATOM 1945 CB HIS A 129 11.733 38.758 -16.352 1.00 0.00 C ATOM 1946 CG HIS A 129 13.023 39.461 -16.024 1.00 0.00 C ATOM 1947 ND1 HIS A 129 13.127 40.499 -15.126 1.00 0.00 N ATOM 1948 CD2 HIS A 129 14.276 39.254 -16.494 1.00 0.00 C ATOM 1949 CE1 HIS A 129 14.381 40.902 -15.072 1.00 0.00 C ATOM 1950 NE2 HIS A 129 15.095 40.165 -15.888 1.00 0.00 N ATOM 0 H HIS A 129 9.835 37.064 -16.807 1.00 0.00 H new ATOM 0 HA HIS A 129 12.532 36.913 -15.573 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.680 38.605 -17.430 1.00 0.00 H new ATOM 0 HB3 HIS A 129 10.900 39.407 -16.081 1.00 0.00 H new ATOM 0 HD1 HIS A 129 12.356 40.894 -14.588 1.00 0.00 H new ATOM 0 HD2 HIS A 129 14.573 38.507 -17.215 1.00 0.00 H new ATOM 0 HE1 HIS A 129 14.758 41.706 -14.457 1.00 0.00 H new ATOM 1959 N HIS A 130 11.650 36.912 -13.227 1.00 0.00 N ATOM 1960 CA HIS A 130 11.157 36.808 -11.828 1.00 0.00 C ATOM 1961 C HIS A 130 11.121 38.185 -11.112 1.00 0.00 C ATOM 1962 O HIS A 130 10.233 38.440 -10.290 1.00 0.00 O ATOM 1963 CB HIS A 130 12.054 35.819 -11.032 1.00 0.00 C ATOM 1964 CG HIS A 130 11.573 35.524 -9.627 1.00 0.00 C ATOM 1965 ND1 HIS A 130 11.929 36.278 -8.523 1.00 0.00 N ATOM 1966 CD2 HIS A 130 10.750 34.555 -9.156 1.00 0.00 C ATOM 1967 CE1 HIS A 130 11.345 35.785 -7.449 1.00 0.00 C ATOM 1968 NE2 HIS A 130 10.629 34.742 -7.803 1.00 0.00 N ATOM 0 H HIS A 130 12.545 36.445 -13.375 1.00 0.00 H new ATOM 0 HA HIS A 130 10.133 36.437 -11.866 1.00 0.00 H new ATOM 0 HB2 HIS A 130 12.118 34.882 -11.585 1.00 0.00 H new ATOM 0 HB3 HIS A 130 13.063 36.227 -10.978 1.00 0.00 H new ATOM 0 HD2 HIS A 130 10.277 33.779 -9.739 1.00 0.00 H new ATOM 0 HE1 HIS A 130 11.439 36.174 -6.446 1.00 0.00 H new ATOM 0 HE2 HIS A 130 10.073 34.164 -7.173 1.00 0.00 H new ATOM 1977 N HIS A 131 12.113 39.042 -11.412 1.00 0.00 N ATOM 1978 CA HIS A 131 12.225 40.393 -10.836 1.00 0.00 C ATOM 1979 C HIS A 131 12.924 41.321 -11.861 1.00 0.00 C ATOM 1980 O HIS A 131 14.177 41.343 -11.904 1.00 0.00 O ATOM 1981 CB HIS A 131 12.991 40.356 -9.479 1.00 0.00 C ATOM 1982 CG HIS A 131 13.131 41.706 -8.814 1.00 0.00 C ATOM 1983 ND1 HIS A 131 14.237 42.511 -8.981 1.00 0.00 N ATOM 1984 CD2 HIS A 131 12.294 42.392 -8.002 1.00 0.00 C ATOM 1985 CE1 HIS A 131 14.075 43.630 -8.306 1.00 0.00 C ATOM 1986 NE2 HIS A 131 12.903 43.584 -7.705 1.00 0.00 N ATOM 1987 OXT HIS A 131 12.216 42.022 -12.620 1.00 0.00 O ATOM 0 H HIS A 131 12.863 38.815 -12.065 1.00 0.00 H new ATOM 0 HA HIS A 131 11.230 40.786 -10.627 1.00 0.00 H new ATOM 0 HB2 HIS A 131 12.472 39.680 -8.799 1.00 0.00 H new ATOM 0 HB3 HIS A 131 13.985 39.940 -9.646 1.00 0.00 H new ATOM 0 HD2 HIS A 131 11.327 42.062 -7.653 1.00 0.00 H new ATOM 0 HE1 HIS A 131 14.781 44.445 -8.254 1.00 0.00 H new ATOM 0 HE2 HIS A 131 12.512 44.317 -7.114 1.00 0.00 H new TER 1996 HIS A 131