USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=37 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 127 HIS : no HD1:sc= 0 K(o=-0.32,f=-1.7) USER MOD Set 1.2: A 129 HIS : no HE2:sc= -0.319 X(o=-0.32,f=-0.58) USER MOD Set 2.1: A 23 CYS SG : rot -55:sc= -2.48! USER MOD Set 2.2: A 35 MET CE :methyl 144:sc= -0.234 (180deg=-0.294) USER MOD Set 2.3: A 97 CYS SG : rot 140:sc= -1.7 USER MOD Set 3.1: A 84 MET CE :methyl -162:sc= -0.786 (180deg=-1.32) USER MOD Set 3.2: A 95 TYR OH : rot -170:sc= -0.35 USER MOD Set 4.1: A 77 LYS NZ :NH3+ -142:sc= 0.526 (180deg=-0.144) USER MOD Set 4.2: A 81 TYR OH : rot 180:sc= 0.987 USER MOD Set 5.1: A 1 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Set 5.2: A 4 GLN : amide:sc= 0.313 X(o=1.4,f=1.4) USER MOD Set 5.3: A 26 SER OG : rot 46:sc= 0.324 USER MOD Set 5.4: A 29 THR OG1 : rot 85:sc= 0.794 USER MOD Set 6.1: A 14 GLN : amide:sc= 0.00408 X(o=0.0089,f=0) USER MOD Set 6.2: A 126 HIS : no HE2:sc= 0.0048 X(o=0.0089,f=-0.095) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.82) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.131 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.04 K(o=-1,f=-0.079) USER MOD Single : A 40 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.089) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 147:sc= -0.0463 USER MOD Single : A 58 SER OG : rot 57:sc= 0.218 USER MOD Single : A 59 THR OG1 : rot 41:sc= 0.0365 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+ -151:sc= 0.649 (180deg=0.244) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 78 ASN : amide:sc= -0.0586 K(o=-0.059,f=-4.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.374 K(o=0.37,f=-4.4!) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 146:sc= 0.149 (180deg=-2.05!) USER MOD Single : A 92 THR OG1 : rot 81:sc= 0.395 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 -117:sc= 0.175 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.059) USER MOD Single : A 117 THR OG1 : rot -130:sc= -0.0532 USER MOD Single : A 118 GLN : amide:sc= -2.25 K(o=-2.3,f=-0.65) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -130:sc= -1.35 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.051 0.926 0.611 1.00 0.00 N ATOM 2 CA MET A 1 1.462 2.273 0.137 1.00 0.00 C ATOM 3 C MET A 1 1.203 2.360 -1.375 1.00 0.00 C ATOM 4 O MET A 1 1.924 1.736 -2.156 1.00 0.00 O ATOM 5 CB MET A 1 2.961 2.530 0.467 1.00 0.00 C ATOM 6 CG MET A 1 3.444 3.965 0.211 1.00 0.00 C ATOM 7 SD MET A 1 2.560 5.173 1.230 1.00 0.00 S ATOM 8 CE MET A 1 3.477 6.686 0.933 1.00 0.00 C ATOM 0 H1 MET A 1 1.220 0.851 1.634 1.00 0.00 H new ATOM 0 H2 MET A 1 0.039 0.783 0.416 1.00 0.00 H new ATOM 0 H3 MET A 1 1.605 0.199 0.115 1.00 0.00 H new ATOM 0 HA MET A 1 0.880 3.042 0.646 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.134 2.286 1.515 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.570 1.846 -0.124 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.512 4.030 0.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.307 4.211 -0.842 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.266 7.402 1.728 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.545 6.467 0.916 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.179 7.110 -0.026 1.00 0.00 H new ATOM 20 N GLN A 2 0.165 3.124 -1.775 1.00 0.00 N ATOM 21 CA GLN A 2 -0.313 3.200 -3.180 1.00 0.00 C ATOM 22 C GLN A 2 0.702 3.884 -4.127 1.00 0.00 C ATOM 23 O GLN A 2 1.779 4.324 -3.694 1.00 0.00 O ATOM 24 CB GLN A 2 -1.691 3.915 -3.235 1.00 0.00 C ATOM 25 CG GLN A 2 -2.816 3.184 -2.460 1.00 0.00 C ATOM 26 CD GLN A 2 -4.198 3.841 -2.581 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.515 4.476 -3.584 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.029 3.704 -1.558 1.00 0.00 N ATOM 0 H GLN A 2 -0.370 3.709 -1.133 1.00 0.00 H new ATOM 0 HA GLN A 2 -0.422 2.176 -3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.582 4.922 -2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.992 4.020 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.882 2.158 -2.821 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.542 3.134 -1.406 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.743 3.172 -0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.955 4.131 -1.592 1.00 0.00 H new ATOM 37 N LEU A 3 0.343 3.937 -5.425 1.00 0.00 N ATOM 38 CA LEU A 3 1.193 4.504 -6.489 1.00 0.00 C ATOM 39 C LEU A 3 1.471 6.004 -6.265 1.00 0.00 C ATOM 40 O LEU A 3 0.546 6.822 -6.226 1.00 0.00 O ATOM 41 CB LEU A 3 0.555 4.260 -7.898 1.00 0.00 C ATOM 42 CG LEU A 3 0.950 2.940 -8.628 1.00 0.00 C ATOM 43 CD1 LEU A 3 2.457 2.944 -8.946 1.00 0.00 C ATOM 44 CD2 LEU A 3 0.518 1.687 -7.830 1.00 0.00 C ATOM 0 H LEU A 3 -0.551 3.585 -5.766 1.00 0.00 H new ATOM 0 HA LEU A 3 2.152 3.988 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.529 4.276 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.822 5.098 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 3 0.408 2.892 -9.573 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.724 2.018 -9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.691 3.793 -9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.024 3.024 -8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.812 0.790 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.001 1.694 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.564 1.694 -7.700 1.00 0.00 H new ATOM 56 N GLN A 4 2.756 6.329 -6.072 1.00 0.00 N ATOM 57 CA GLN A 4 3.254 7.706 -6.031 1.00 0.00 C ATOM 58 C GLN A 4 3.949 7.982 -7.369 1.00 0.00 C ATOM 59 O GLN A 4 4.771 7.168 -7.818 1.00 0.00 O ATOM 60 CB GLN A 4 4.250 7.882 -4.854 1.00 0.00 C ATOM 61 CG GLN A 4 3.731 7.383 -3.499 1.00 0.00 C ATOM 62 CD GLN A 4 4.788 7.427 -2.396 1.00 0.00 C ATOM 63 OE1 GLN A 4 5.497 6.454 -2.156 1.00 0.00 O ATOM 64 NE2 GLN A 4 4.910 8.566 -1.734 1.00 0.00 N ATOM 0 H GLN A 4 3.488 5.631 -5.938 1.00 0.00 H new ATOM 0 HA GLN A 4 2.434 8.408 -5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.172 7.352 -5.093 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.504 8.938 -4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.877 7.990 -3.199 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.372 6.360 -3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.304 9.355 -1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.610 8.656 -0.998 1.00 0.00 H new ATOM 73 N LEU A 5 3.579 9.085 -8.030 1.00 0.00 N ATOM 74 CA LEU A 5 4.194 9.515 -9.296 1.00 0.00 C ATOM 75 C LEU A 5 4.652 10.975 -9.150 1.00 0.00 C ATOM 76 O LEU A 5 3.847 11.852 -8.809 1.00 0.00 O ATOM 77 CB LEU A 5 3.209 9.369 -10.504 1.00 0.00 C ATOM 78 CG LEU A 5 2.611 7.939 -10.797 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.406 7.597 -9.880 1.00 0.00 C ATOM 80 CD2 LEU A 5 2.231 7.784 -12.287 1.00 0.00 C ATOM 0 H LEU A 5 2.841 9.709 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 5 5.048 8.871 -9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.376 10.053 -10.342 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.728 9.705 -11.402 1.00 0.00 H new ATOM 0 HG LEU A 5 3.399 7.221 -10.567 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.034 6.602 -10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.724 7.619 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.613 8.329 -10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.822 6.788 -12.456 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.484 8.533 -12.552 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.118 7.922 -12.905 1.00 0.00 H new ATOM 92 N VAL A 6 5.957 11.228 -9.376 1.00 0.00 N ATOM 93 CA VAL A 6 6.534 12.582 -9.323 1.00 0.00 C ATOM 94 C VAL A 6 7.018 12.981 -10.727 1.00 0.00 C ATOM 95 O VAL A 6 8.089 12.550 -11.166 1.00 0.00 O ATOM 96 CB VAL A 6 7.734 12.669 -8.295 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.294 14.115 -8.212 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.320 12.139 -6.893 1.00 0.00 C ATOM 0 H VAL A 6 6.636 10.501 -9.599 1.00 0.00 H new ATOM 0 HA VAL A 6 5.760 13.270 -8.983 1.00 0.00 H new ATOM 0 HB VAL A 6 8.533 12.025 -8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.117 14.146 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.653 14.423 -9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.505 14.792 -7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.167 12.213 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.492 12.735 -6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.010 11.097 -6.975 1.00 0.00 H new ATOM 108 N GLU A 7 6.220 13.816 -11.417 1.00 0.00 N ATOM 109 CA GLU A 7 6.549 14.329 -12.761 1.00 0.00 C ATOM 110 C GLU A 7 7.401 15.603 -12.630 1.00 0.00 C ATOM 111 O GLU A 7 7.211 16.396 -11.698 1.00 0.00 O ATOM 112 CB GLU A 7 5.265 14.603 -13.609 1.00 0.00 C ATOM 113 CG GLU A 7 4.381 13.361 -13.914 1.00 0.00 C ATOM 114 CD GLU A 7 3.325 13.037 -12.835 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.125 13.184 -13.106 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.687 12.659 -11.714 1.00 0.00 O ATOM 0 H GLU A 7 5.327 14.155 -11.058 1.00 0.00 H new ATOM 0 HA GLU A 7 7.120 13.565 -13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.656 15.340 -13.085 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.566 15.053 -14.555 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.872 13.520 -14.865 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.029 12.494 -14.040 1.00 0.00 H new ATOM 123 N SER A 8 8.348 15.777 -13.565 1.00 0.00 N ATOM 124 CA SER A 8 9.327 16.884 -13.570 1.00 0.00 C ATOM 125 C SER A 8 9.666 17.277 -15.024 1.00 0.00 C ATOM 126 O SER A 8 9.312 16.558 -15.972 1.00 0.00 O ATOM 127 CB SER A 8 10.617 16.462 -12.811 1.00 0.00 C ATOM 128 OG SER A 8 10.337 16.061 -11.476 1.00 0.00 O ATOM 0 H SER A 8 8.460 15.142 -14.355 1.00 0.00 H new ATOM 0 HA SER A 8 8.892 17.746 -13.063 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.100 15.642 -13.343 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.321 17.294 -12.800 1.00 0.00 H new ATOM 0 HG SER A 8 11.171 15.801 -11.031 1.00 0.00 H new ATOM 134 N GLY A 9 10.371 18.416 -15.183 1.00 0.00 N ATOM 135 CA GLY A 9 10.737 18.959 -16.501 1.00 0.00 C ATOM 136 C GLY A 9 9.786 20.066 -16.961 1.00 0.00 C ATOM 137 O GLY A 9 9.832 20.489 -18.121 1.00 0.00 O ATOM 0 H GLY A 9 10.701 18.982 -14.401 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.753 19.351 -16.460 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.735 18.154 -17.236 1.00 0.00 H new ATOM 141 N GLY A 10 8.921 20.520 -16.038 1.00 0.00 N ATOM 142 CA GLY A 10 7.949 21.573 -16.318 1.00 0.00 C ATOM 143 C GLY A 10 8.586 22.951 -16.400 1.00 0.00 C ATOM 144 O GLY A 10 9.062 23.483 -15.388 1.00 0.00 O ATOM 0 H GLY A 10 8.881 20.164 -15.083 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.443 21.354 -17.258 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.187 21.575 -15.539 1.00 0.00 H new ATOM 148 N GLY A 11 8.607 23.513 -17.618 1.00 0.00 N ATOM 149 CA GLY A 11 9.152 24.839 -17.865 1.00 0.00 C ATOM 150 C GLY A 11 8.635 25.430 -19.157 1.00 0.00 C ATOM 151 O GLY A 11 7.785 24.827 -19.836 1.00 0.00 O ATOM 0 H GLY A 11 8.245 23.054 -18.454 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.894 25.498 -17.036 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.240 24.783 -17.901 1.00 0.00 H new ATOM 155 N LEU A 12 9.140 26.620 -19.496 1.00 0.00 N ATOM 156 CA LEU A 12 8.784 27.309 -20.737 1.00 0.00 C ATOM 157 C LEU A 12 9.784 26.935 -21.844 1.00 0.00 C ATOM 158 O LEU A 12 10.998 27.082 -21.662 1.00 0.00 O ATOM 159 CB LEU A 12 8.796 28.839 -20.529 1.00 0.00 C ATOM 160 CG LEU A 12 8.163 29.674 -21.680 1.00 0.00 C ATOM 161 CD1 LEU A 12 6.629 29.633 -21.620 1.00 0.00 C ATOM 162 CD2 LEU A 12 8.694 31.120 -21.705 1.00 0.00 C ATOM 0 H LEU A 12 9.806 27.131 -18.917 1.00 0.00 H new ATOM 0 HA LEU A 12 7.780 27.001 -21.030 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.267 29.067 -19.604 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.828 29.162 -20.394 1.00 0.00 H new ATOM 0 HG LEU A 12 8.468 29.212 -22.619 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.217 30.226 -22.437 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.289 28.602 -21.712 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.291 30.043 -20.668 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.225 31.666 -22.524 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.459 31.610 -20.760 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.774 31.108 -21.848 1.00 0.00 H new ATOM 174 N VAL A 13 9.275 26.453 -22.981 1.00 0.00 N ATOM 175 CA VAL A 13 10.088 26.214 -24.191 1.00 0.00 C ATOM 176 C VAL A 13 9.446 26.938 -25.385 1.00 0.00 C ATOM 177 O VAL A 13 8.260 27.264 -25.356 1.00 0.00 O ATOM 178 CB VAL A 13 10.272 24.673 -24.507 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.146 23.978 -23.426 1.00 0.00 C ATOM 180 CG2 VAL A 13 8.904 23.969 -24.655 1.00 0.00 C ATOM 0 H VAL A 13 8.290 26.216 -23.095 1.00 0.00 H new ATOM 0 HA VAL A 13 11.086 26.612 -24.007 1.00 0.00 H new ATOM 0 HB VAL A 13 10.795 24.589 -25.460 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.254 22.921 -23.670 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.130 24.447 -23.397 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.668 24.078 -22.452 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.060 22.912 -24.872 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.341 24.070 -23.727 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.345 24.428 -25.471 1.00 0.00 H new ATOM 190 N GLN A 14 10.254 27.215 -26.406 1.00 0.00 N ATOM 191 CA GLN A 14 9.796 27.791 -27.679 1.00 0.00 C ATOM 192 C GLN A 14 9.088 26.717 -28.530 1.00 0.00 C ATOM 193 O GLN A 14 9.425 25.523 -28.444 1.00 0.00 O ATOM 194 CB GLN A 14 11.012 28.380 -28.446 1.00 0.00 C ATOM 195 CG GLN A 14 12.170 27.384 -28.639 1.00 0.00 C ATOM 196 CD GLN A 14 13.351 27.972 -29.391 1.00 0.00 C ATOM 197 OE1 GLN A 14 14.252 28.555 -28.792 1.00 0.00 O ATOM 198 NE2 GLN A 14 13.353 27.834 -30.703 1.00 0.00 N ATOM 0 H GLN A 14 11.259 27.045 -26.377 1.00 0.00 H new ATOM 0 HA GLN A 14 9.081 28.589 -27.477 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.678 28.728 -29.424 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.382 29.252 -27.906 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.507 27.036 -27.663 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.803 26.511 -29.179 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.587 27.344 -31.165 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.120 28.218 -31.255 1.00 0.00 H new ATOM 207 N ALA A 15 8.092 27.151 -29.328 1.00 0.00 N ATOM 208 CA ALA A 15 7.428 26.300 -30.329 1.00 0.00 C ATOM 209 C ALA A 15 8.435 25.892 -31.414 1.00 0.00 C ATOM 210 O ALA A 15 8.915 26.744 -32.173 1.00 0.00 O ATOM 211 CB ALA A 15 6.223 27.034 -30.936 1.00 0.00 C ATOM 0 H ALA A 15 7.727 28.103 -29.295 1.00 0.00 H new ATOM 0 HA ALA A 15 7.059 25.395 -29.846 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.741 26.393 -31.675 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.511 27.278 -30.148 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.561 27.952 -31.417 1.00 0.00 H new ATOM 217 N GLY A 16 8.771 24.595 -31.449 1.00 0.00 N ATOM 218 CA GLY A 16 9.796 24.057 -32.349 1.00 0.00 C ATOM 219 C GLY A 16 11.019 23.549 -31.589 1.00 0.00 C ATOM 220 O GLY A 16 11.772 22.713 -32.113 1.00 0.00 O ATOM 0 H GLY A 16 8.338 23.890 -30.853 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.371 23.243 -32.936 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.103 24.831 -33.052 1.00 0.00 H new ATOM 224 N GLY A 17 11.208 24.047 -30.344 1.00 0.00 N ATOM 225 CA GLY A 17 12.262 23.550 -29.445 1.00 0.00 C ATOM 226 C GLY A 17 11.953 22.165 -28.874 1.00 0.00 C ATOM 227 O GLY A 17 10.919 21.571 -29.195 1.00 0.00 O ATOM 0 H GLY A 17 10.640 24.794 -29.944 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.207 23.511 -29.987 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.394 24.255 -28.624 1.00 0.00 H new ATOM 231 N SER A 18 12.848 21.649 -28.020 1.00 0.00 N ATOM 232 CA SER A 18 12.727 20.300 -27.429 1.00 0.00 C ATOM 233 C SER A 18 12.735 20.381 -25.887 1.00 0.00 C ATOM 234 O SER A 18 13.341 21.290 -25.311 1.00 0.00 O ATOM 235 CB SER A 18 13.872 19.398 -27.941 1.00 0.00 C ATOM 236 OG SER A 18 15.143 19.995 -27.722 1.00 0.00 O ATOM 0 H SER A 18 13.681 22.154 -27.716 1.00 0.00 H new ATOM 0 HA SER A 18 11.777 19.862 -27.736 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.830 18.433 -27.436 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.737 19.206 -29.006 1.00 0.00 H new ATOM 0 HG SER A 18 15.846 19.399 -28.055 1.00 0.00 H new ATOM 242 N LEU A 19 12.062 19.414 -25.244 1.00 0.00 N ATOM 243 CA LEU A 19 11.909 19.340 -23.784 1.00 0.00 C ATOM 244 C LEU A 19 11.745 17.868 -23.373 1.00 0.00 C ATOM 245 O LEU A 19 10.989 17.124 -24.007 1.00 0.00 O ATOM 246 CB LEU A 19 10.682 20.175 -23.317 1.00 0.00 C ATOM 247 CG LEU A 19 10.412 20.218 -21.776 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.608 20.824 -21.002 1.00 0.00 C ATOM 249 CD2 LEU A 19 9.091 20.963 -21.466 1.00 0.00 C ATOM 0 H LEU A 19 11.601 18.648 -25.734 1.00 0.00 H new ATOM 0 HA LEU A 19 12.796 19.756 -23.307 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.812 21.198 -23.669 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.793 19.779 -23.808 1.00 0.00 H new ATOM 0 HG LEU A 19 10.301 19.190 -21.430 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.382 20.837 -19.936 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.498 20.220 -21.177 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.786 21.842 -21.347 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.926 20.979 -20.389 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.154 21.985 -21.839 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.261 20.450 -21.952 1.00 0.00 H new ATOM 261 N ARG A 20 12.481 17.452 -22.333 1.00 0.00 N ATOM 262 CA ARG A 20 12.398 16.095 -21.774 1.00 0.00 C ATOM 263 C ARG A 20 11.725 16.140 -20.392 1.00 0.00 C ATOM 264 O ARG A 20 12.137 16.898 -19.508 1.00 0.00 O ATOM 265 CB ARG A 20 13.809 15.454 -21.677 1.00 0.00 C ATOM 266 CG ARG A 20 13.821 14.010 -21.118 1.00 0.00 C ATOM 267 CD ARG A 20 15.230 13.393 -21.089 1.00 0.00 C ATOM 268 NE ARG A 20 15.820 13.282 -22.441 1.00 0.00 N ATOM 269 CZ ARG A 20 16.956 12.636 -22.742 1.00 0.00 C ATOM 270 NH1 ARG A 20 17.683 12.045 -21.797 1.00 0.00 N ATOM 271 NH2 ARG A 20 17.360 12.586 -24.003 1.00 0.00 N ATOM 0 H ARG A 20 13.154 18.050 -21.853 1.00 0.00 H new ATOM 0 HA ARG A 20 11.794 15.477 -22.439 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.261 15.450 -22.669 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.436 16.081 -21.043 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.410 14.013 -20.109 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.168 13.384 -21.726 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.879 14.003 -20.460 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.182 12.404 -20.633 1.00 0.00 H new ATOM 0 HE ARG A 20 15.322 13.734 -23.208 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.379 12.079 -20.824 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.544 11.558 -22.046 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.808 13.036 -24.733 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.223 12.097 -24.243 1.00 0.00 H new ATOM 285 N LEU A 21 10.671 15.334 -20.239 1.00 0.00 N ATOM 286 CA LEU A 21 9.942 15.139 -18.983 1.00 0.00 C ATOM 287 C LEU A 21 10.477 13.881 -18.277 1.00 0.00 C ATOM 288 O LEU A 21 11.113 13.032 -18.914 1.00 0.00 O ATOM 289 CB LEU A 21 8.412 15.016 -19.253 1.00 0.00 C ATOM 290 CG LEU A 21 7.683 16.286 -19.832 1.00 0.00 C ATOM 291 CD1 LEU A 21 8.004 17.542 -19.006 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.984 16.502 -21.333 1.00 0.00 C ATOM 0 H LEU A 21 10.290 14.783 -21.008 1.00 0.00 H new ATOM 0 HA LEU A 21 10.096 16.003 -18.336 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.256 14.190 -19.947 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.924 14.743 -18.317 1.00 0.00 H new ATOM 0 HG LEU A 21 6.612 16.100 -19.751 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.485 18.400 -19.433 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.676 17.394 -17.977 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.079 17.723 -19.022 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.459 17.390 -21.685 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.057 16.636 -21.473 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.649 15.633 -21.900 1.00 0.00 H new ATOM 304 N SER A 22 10.254 13.788 -16.956 1.00 0.00 N ATOM 305 CA SER A 22 10.667 12.627 -16.146 1.00 0.00 C ATOM 306 C SER A 22 9.673 12.402 -14.994 1.00 0.00 C ATOM 307 O SER A 22 9.439 13.309 -14.201 1.00 0.00 O ATOM 308 CB SER A 22 12.096 12.855 -15.595 1.00 0.00 C ATOM 309 OG SER A 22 12.195 14.084 -14.886 1.00 0.00 O ATOM 0 H SER A 22 9.782 14.515 -16.418 1.00 0.00 H new ATOM 0 HA SER A 22 10.671 11.736 -16.774 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.368 12.031 -14.935 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.809 12.852 -16.419 1.00 0.00 H new ATOM 0 HG SER A 22 13.109 14.195 -14.551 1.00 0.00 H new ATOM 315 N CYS A 23 9.104 11.189 -14.905 1.00 0.00 N ATOM 316 CA CYS A 23 8.195 10.788 -13.819 1.00 0.00 C ATOM 317 C CYS A 23 8.823 9.637 -13.028 1.00 0.00 C ATOM 318 O CYS A 23 8.949 8.518 -13.540 1.00 0.00 O ATOM 319 CB CYS A 23 6.821 10.360 -14.371 1.00 0.00 C ATOM 320 SG CYS A 23 5.622 9.898 -13.092 1.00 0.00 S ATOM 0 H CYS A 23 9.264 10.452 -15.592 1.00 0.00 H new ATOM 0 HA CYS A 23 8.041 11.645 -13.163 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.408 11.177 -14.963 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.959 9.516 -15.046 1.00 0.00 H new ATOM 0 HG CYS A 23 6.131 8.973 -12.333 1.00 0.00 H new ATOM 326 N VAL A 24 9.242 9.927 -11.789 1.00 0.00 N ATOM 327 CA VAL A 24 9.838 8.933 -10.895 1.00 0.00 C ATOM 328 C VAL A 24 8.715 8.199 -10.133 1.00 0.00 C ATOM 329 O VAL A 24 7.872 8.833 -9.480 1.00 0.00 O ATOM 330 CB VAL A 24 10.841 9.593 -9.880 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.632 8.514 -9.103 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.801 10.591 -10.586 1.00 0.00 C ATOM 0 H VAL A 24 9.176 10.859 -11.381 1.00 0.00 H new ATOM 0 HA VAL A 24 10.404 8.223 -11.497 1.00 0.00 H new ATOM 0 HB VAL A 24 10.251 10.164 -9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.319 8.997 -8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.938 7.883 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.198 7.901 -9.805 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.478 11.026 -9.851 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.379 10.064 -11.345 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.220 11.383 -11.057 1.00 0.00 H new ATOM 342 N ALA A 25 8.729 6.861 -10.216 1.00 0.00 N ATOM 343 CA ALA A 25 7.683 6.004 -9.652 1.00 0.00 C ATOM 344 C ALA A 25 8.019 5.620 -8.197 1.00 0.00 C ATOM 345 O ALA A 25 8.881 4.766 -7.948 1.00 0.00 O ATOM 346 CB ALA A 25 7.503 4.751 -10.535 1.00 0.00 C ATOM 0 H ALA A 25 9.474 6.342 -10.681 1.00 0.00 H new ATOM 0 HA ALA A 25 6.742 6.554 -9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.724 4.117 -10.112 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.217 5.054 -11.542 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.441 4.197 -10.575 1.00 0.00 H new ATOM 352 N SER A 26 7.365 6.334 -7.257 1.00 0.00 N ATOM 353 CA SER A 26 7.363 6.033 -5.813 1.00 0.00 C ATOM 354 C SER A 26 8.786 6.090 -5.212 1.00 0.00 C ATOM 355 O SER A 26 9.166 5.277 -4.359 1.00 0.00 O ATOM 356 CB SER A 26 6.627 4.681 -5.551 1.00 0.00 C ATOM 357 OG SER A 26 6.468 4.427 -4.164 1.00 0.00 O ATOM 0 H SER A 26 6.809 7.157 -7.489 1.00 0.00 H new ATOM 0 HA SER A 26 6.804 6.808 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.649 4.701 -6.031 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.190 3.867 -6.007 1.00 0.00 H new ATOM 0 HG SER A 26 6.143 5.237 -3.718 1.00 0.00 H new ATOM 363 N GLY A 27 9.563 7.095 -5.668 1.00 0.00 N ATOM 364 CA GLY A 27 10.942 7.309 -5.208 1.00 0.00 C ATOM 365 C GLY A 27 11.936 6.439 -5.964 1.00 0.00 C ATOM 366 O GLY A 27 12.828 6.951 -6.644 1.00 0.00 O ATOM 0 H GLY A 27 9.250 7.775 -6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.208 8.358 -5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.007 7.091 -4.142 1.00 0.00 H new ATOM 370 N ARG A 28 11.773 5.117 -5.826 1.00 0.00 N ATOM 371 CA ARG A 28 12.548 4.111 -6.582 1.00 0.00 C ATOM 372 C ARG A 28 11.820 2.740 -6.564 1.00 0.00 C ATOM 373 O ARG A 28 12.316 1.757 -7.118 1.00 0.00 O ATOM 374 CB ARG A 28 13.991 3.991 -6.000 1.00 0.00 C ATOM 375 CG ARG A 28 14.980 3.230 -6.909 1.00 0.00 C ATOM 376 CD ARG A 28 16.417 3.198 -6.370 1.00 0.00 C ATOM 377 NE ARG A 28 17.340 2.586 -7.348 1.00 0.00 N ATOM 378 CZ ARG A 28 18.573 3.027 -7.652 1.00 0.00 C ATOM 379 NH1 ARG A 28 19.089 4.099 -7.057 1.00 0.00 N ATOM 380 NH2 ARG A 28 19.281 2.388 -8.564 1.00 0.00 N ATOM 0 H ARG A 28 11.096 4.707 -5.183 1.00 0.00 H new ATOM 0 HA ARG A 28 12.628 4.435 -7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.381 4.992 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.940 3.487 -5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.627 2.207 -7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.982 3.693 -7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.745 4.212 -6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.446 2.635 -5.437 1.00 0.00 H new ATOM 0 HE ARG A 28 17.012 1.753 -7.837 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.547 4.603 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.027 4.417 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.892 1.569 -9.030 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.218 2.714 -8.803 1.00 0.00 H new ATOM 394 N THR A 29 10.616 2.711 -5.970 1.00 0.00 N ATOM 395 CA THR A 29 9.878 1.467 -5.694 1.00 0.00 C ATOM 396 C THR A 29 9.213 0.934 -6.979 1.00 0.00 C ATOM 397 O THR A 29 8.745 1.723 -7.814 1.00 0.00 O ATOM 398 CB THR A 29 8.799 1.732 -4.596 1.00 0.00 C ATOM 399 OG1 THR A 29 9.375 2.514 -3.538 1.00 0.00 O ATOM 400 CG2 THR A 29 8.221 0.435 -4.004 1.00 0.00 C ATOM 0 H THR A 29 10.125 3.552 -5.667 1.00 0.00 H new ATOM 0 HA THR A 29 10.578 0.713 -5.335 1.00 0.00 H new ATOM 0 HB THR A 29 7.980 2.268 -5.075 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.329 3.465 -3.772 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.477 0.681 -3.247 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.753 -0.150 -4.796 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.023 -0.146 -3.549 1.00 0.00 H new ATOM 408 N PHE A 30 9.150 -0.401 -7.114 1.00 0.00 N ATOM 409 CA PHE A 30 8.574 -1.066 -8.290 1.00 0.00 C ATOM 410 C PHE A 30 7.202 -1.654 -7.915 1.00 0.00 C ATOM 411 O PHE A 30 7.084 -2.432 -6.968 1.00 0.00 O ATOM 412 CB PHE A 30 9.513 -2.196 -8.818 1.00 0.00 C ATOM 413 CG PHE A 30 9.029 -2.845 -10.125 1.00 0.00 C ATOM 414 CD1 PHE A 30 8.109 -3.905 -10.121 1.00 0.00 C ATOM 415 CD2 PHE A 30 9.466 -2.374 -11.359 1.00 0.00 C ATOM 416 CE1 PHE A 30 7.647 -4.454 -11.301 1.00 0.00 C ATOM 417 CE2 PHE A 30 9.008 -2.933 -12.538 1.00 0.00 C ATOM 418 CZ PHE A 30 8.099 -3.969 -12.508 1.00 0.00 C ATOM 0 H PHE A 30 9.499 -1.049 -6.408 1.00 0.00 H new ATOM 0 HA PHE A 30 8.459 -0.330 -9.086 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.510 -1.783 -8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.604 -2.967 -8.053 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.756 -4.298 -9.179 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.174 -1.559 -11.397 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.932 -5.263 -11.277 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.364 -2.557 -13.486 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.741 -4.400 -13.431 1.00 0.00 H new ATOM 428 N ARG A 31 6.182 -1.239 -8.671 1.00 0.00 N ATOM 429 CA ARG A 31 4.824 -1.820 -8.637 1.00 0.00 C ATOM 430 C ARG A 31 4.055 -1.397 -9.906 1.00 0.00 C ATOM 431 O ARG A 31 3.027 -1.994 -10.251 1.00 0.00 O ATOM 432 CB ARG A 31 4.028 -1.410 -7.352 1.00 0.00 C ATOM 433 CG ARG A 31 3.728 0.108 -7.208 1.00 0.00 C ATOM 434 CD ARG A 31 4.888 0.940 -6.621 1.00 0.00 C ATOM 435 NE ARG A 31 5.090 0.638 -5.195 1.00 0.00 N ATOM 436 CZ ARG A 31 4.497 1.284 -4.174 1.00 0.00 C ATOM 437 NH1 ARG A 31 3.702 2.332 -4.400 1.00 0.00 N ATOM 438 NH2 ARG A 31 4.689 0.866 -2.931 1.00 0.00 N ATOM 0 H ARG A 31 6.272 -0.474 -9.340 1.00 0.00 H new ATOM 0 HA ARG A 31 4.926 -2.905 -8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.082 -1.952 -7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.591 -1.736 -6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.471 0.509 -8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.851 0.233 -6.573 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.804 0.732 -7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.676 2.002 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 31 5.730 -0.121 -4.962 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.538 2.651 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.258 2.813 -3.618 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.284 0.058 -2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.241 1.353 -2.154 1.00 0.00 H new ATOM 452 N SER A 32 4.560 -0.334 -10.572 1.00 0.00 N ATOM 453 CA SER A 32 4.047 0.142 -11.860 1.00 0.00 C ATOM 454 C SER A 32 4.259 -0.946 -12.939 1.00 0.00 C ATOM 455 O SER A 32 5.402 -1.231 -13.325 1.00 0.00 O ATOM 456 CB SER A 32 4.788 1.448 -12.262 1.00 0.00 C ATOM 457 OG SER A 32 4.737 2.423 -11.229 1.00 0.00 O ATOM 0 H SER A 32 5.343 0.217 -10.220 1.00 0.00 H new ATOM 0 HA SER A 32 2.980 0.350 -11.774 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.828 1.219 -12.495 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.341 1.855 -13.169 1.00 0.00 H new ATOM 0 HG SER A 32 5.214 3.229 -11.516 1.00 0.00 H new ATOM 463 N ASN A 33 3.157 -1.580 -13.363 1.00 0.00 N ATOM 464 CA ASN A 33 3.153 -2.588 -14.453 1.00 0.00 C ATOM 465 C ASN A 33 3.114 -1.872 -15.813 1.00 0.00 C ATOM 466 O ASN A 33 3.743 -2.295 -16.793 1.00 0.00 O ATOM 467 CB ASN A 33 1.921 -3.514 -14.298 1.00 0.00 C ATOM 468 CG ASN A 33 1.858 -4.199 -12.931 1.00 0.00 C ATOM 469 OD1 ASN A 33 2.425 -5.272 -12.730 1.00 0.00 O ATOM 470 ND2 ASN A 33 1.162 -3.584 -11.984 1.00 0.00 N ATOM 0 H ASN A 33 2.234 -1.413 -12.963 1.00 0.00 H new ATOM 0 HA ASN A 33 4.058 -3.193 -14.397 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.013 -2.930 -14.448 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.944 -4.274 -15.079 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.085 -4.000 -11.056 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.704 -2.695 -12.184 1.00 0.00 H new ATOM 477 N ALA A 34 2.362 -0.768 -15.828 1.00 0.00 N ATOM 478 CA ALA A 34 2.197 0.124 -16.980 1.00 0.00 C ATOM 479 C ALA A 34 2.197 1.574 -16.484 1.00 0.00 C ATOM 480 O ALA A 34 1.786 1.835 -15.351 1.00 0.00 O ATOM 481 CB ALA A 34 0.882 -0.197 -17.711 1.00 0.00 C ATOM 0 H ALA A 34 1.834 -0.460 -15.012 1.00 0.00 H new ATOM 0 HA ALA A 34 3.019 -0.019 -17.682 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.768 0.471 -18.565 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.901 -1.230 -18.058 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.043 -0.059 -17.029 1.00 0.00 H new ATOM 487 N MET A 35 2.704 2.501 -17.316 1.00 0.00 N ATOM 488 CA MET A 35 2.646 3.957 -17.058 1.00 0.00 C ATOM 489 C MET A 35 2.389 4.674 -18.395 1.00 0.00 C ATOM 490 O MET A 35 3.187 4.567 -19.309 1.00 0.00 O ATOM 491 CB MET A 35 3.973 4.487 -16.401 1.00 0.00 C ATOM 492 CG MET A 35 4.256 3.941 -14.990 1.00 0.00 C ATOM 493 SD MET A 35 5.798 4.540 -14.244 1.00 0.00 S ATOM 494 CE MET A 35 5.448 6.282 -13.975 1.00 0.00 C ATOM 0 H MET A 35 3.169 2.263 -18.192 1.00 0.00 H new ATOM 0 HA MET A 35 1.840 4.161 -16.353 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.811 4.231 -17.050 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.929 5.575 -16.352 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.424 4.208 -14.338 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.289 2.852 -15.036 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.920 6.609 -13.049 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.841 6.865 -14.808 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.370 6.430 -13.905 1.00 0.00 H new ATOM 504 N GLY A 36 1.273 5.399 -18.503 1.00 0.00 N ATOM 505 CA GLY A 36 0.933 6.158 -19.709 1.00 0.00 C ATOM 506 C GLY A 36 0.986 7.657 -19.455 1.00 0.00 C ATOM 507 O GLY A 36 0.628 8.111 -18.364 1.00 0.00 O ATOM 0 H GLY A 36 0.581 5.476 -17.758 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.624 5.899 -20.511 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.065 5.880 -20.046 1.00 0.00 H new ATOM 511 N TRP A 37 1.454 8.429 -20.451 1.00 0.00 N ATOM 512 CA TRP A 37 1.445 9.900 -20.400 1.00 0.00 C ATOM 513 C TRP A 37 0.112 10.401 -20.949 1.00 0.00 C ATOM 514 O TRP A 37 -0.272 10.044 -22.063 1.00 0.00 O ATOM 515 CB TRP A 37 2.621 10.506 -21.215 1.00 0.00 C ATOM 516 CG TRP A 37 3.977 10.214 -20.620 1.00 0.00 C ATOM 517 CD1 TRP A 37 4.821 9.196 -20.957 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.633 10.951 -19.573 1.00 0.00 C ATOM 519 NE1 TRP A 37 5.963 9.264 -20.205 1.00 0.00 N ATOM 520 CE2 TRP A 37 5.869 10.327 -19.343 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.292 12.081 -18.808 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.773 10.789 -18.390 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.192 12.542 -17.862 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.419 11.893 -17.658 1.00 0.00 C ATOM 0 H TRP A 37 1.848 8.051 -21.312 1.00 0.00 H new ATOM 0 HA TRP A 37 1.569 10.217 -19.365 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.587 10.116 -22.232 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.487 11.586 -21.283 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.618 8.446 -21.707 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.756 8.627 -20.275 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.346 12.580 -18.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.720 10.295 -18.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.946 13.413 -17.273 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.099 12.271 -16.909 1.00 0.00 H new ATOM 535 N PHE A 38 -0.604 11.176 -20.133 1.00 0.00 N ATOM 536 CA PHE A 38 -1.854 11.849 -20.512 1.00 0.00 C ATOM 537 C PHE A 38 -1.654 13.365 -20.342 1.00 0.00 C ATOM 538 O PHE A 38 -1.123 13.804 -19.318 1.00 0.00 O ATOM 539 CB PHE A 38 -3.045 11.372 -19.620 1.00 0.00 C ATOM 540 CG PHE A 38 -3.376 9.878 -19.697 1.00 0.00 C ATOM 541 CD1 PHE A 38 -2.562 8.929 -19.077 1.00 0.00 C ATOM 542 CD2 PHE A 38 -4.504 9.419 -20.386 1.00 0.00 C ATOM 543 CE1 PHE A 38 -2.860 7.579 -19.141 1.00 0.00 C ATOM 544 CE2 PHE A 38 -4.800 8.065 -20.447 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.974 7.147 -19.827 1.00 0.00 C ATOM 0 H PHE A 38 -0.328 11.359 -19.168 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.095 11.604 -21.547 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.821 11.623 -18.583 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.934 11.937 -19.900 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.684 9.254 -18.538 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.153 10.129 -20.877 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.217 6.862 -18.652 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.677 7.728 -20.980 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.201 6.093 -19.880 1.00 0.00 H new ATOM 555 N ARG A 39 -2.071 14.167 -21.335 1.00 0.00 N ATOM 556 CA ARG A 39 -1.995 15.639 -21.239 1.00 0.00 C ATOM 557 C ARG A 39 -3.382 16.215 -20.945 1.00 0.00 C ATOM 558 O ARG A 39 -4.346 15.966 -21.671 1.00 0.00 O ATOM 559 CB ARG A 39 -1.404 16.277 -22.525 1.00 0.00 C ATOM 560 CG ARG A 39 -2.199 16.041 -23.827 1.00 0.00 C ATOM 561 CD ARG A 39 -1.585 16.792 -25.015 1.00 0.00 C ATOM 562 NE ARG A 39 -2.232 16.461 -26.292 1.00 0.00 N ATOM 563 CZ ARG A 39 -1.748 16.778 -27.502 1.00 0.00 C ATOM 564 NH1 ARG A 39 -0.594 17.422 -27.639 1.00 0.00 N ATOM 565 NH2 ARG A 39 -2.430 16.434 -28.580 1.00 0.00 N ATOM 0 H ARG A 39 -2.464 13.825 -22.212 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.320 15.884 -20.419 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.317 17.352 -22.366 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.394 15.893 -22.665 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.227 14.974 -24.047 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.230 16.365 -23.687 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.663 17.865 -24.840 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.523 16.556 -25.079 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.115 15.952 -26.256 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.056 17.686 -26.814 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.246 17.652 -28.570 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.314 15.933 -28.486 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.073 16.669 -29.506 1.00 0.00 H new ATOM 579 N GLN A 40 -3.463 16.976 -19.863 1.00 0.00 N ATOM 580 CA GLN A 40 -4.685 17.666 -19.455 1.00 0.00 C ATOM 581 C GLN A 40 -4.466 19.145 -19.809 1.00 0.00 C ATOM 582 O GLN A 40 -3.453 19.727 -19.428 1.00 0.00 O ATOM 583 CB GLN A 40 -4.913 17.426 -17.923 1.00 0.00 C ATOM 584 CG GLN A 40 -6.370 17.520 -17.419 1.00 0.00 C ATOM 585 CD GLN A 40 -7.006 18.904 -17.545 1.00 0.00 C ATOM 586 OE1 GLN A 40 -6.872 19.737 -16.660 1.00 0.00 O ATOM 587 NE2 GLN A 40 -7.699 19.153 -18.640 1.00 0.00 N ATOM 0 H GLN A 40 -2.675 17.135 -19.235 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.581 17.303 -19.958 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.528 16.438 -17.672 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.314 18.151 -17.371 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.978 16.805 -17.973 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.397 17.217 -16.372 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.791 18.436 -19.359 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.142 20.063 -18.767 1.00 0.00 H new ATOM 596 N ALA A 41 -5.415 19.748 -20.525 1.00 0.00 N ATOM 597 CA ALA A 41 -5.243 21.091 -21.115 1.00 0.00 C ATOM 598 C ALA A 41 -6.386 22.028 -20.666 1.00 0.00 C ATOM 599 O ALA A 41 -7.451 21.535 -20.278 1.00 0.00 O ATOM 600 CB ALA A 41 -5.169 20.964 -22.656 1.00 0.00 C ATOM 0 H ALA A 41 -6.324 19.328 -20.716 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.311 21.534 -20.763 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.042 21.953 -23.097 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.323 20.334 -22.929 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.090 20.516 -23.029 1.00 0.00 H new ATOM 606 N PRO A 42 -6.165 23.390 -20.656 1.00 0.00 N ATOM 607 CA PRO A 42 -7.222 24.379 -20.325 1.00 0.00 C ATOM 608 C PRO A 42 -8.512 24.186 -21.169 1.00 0.00 C ATOM 609 O PRO A 42 -8.582 24.611 -22.330 1.00 0.00 O ATOM 610 CB PRO A 42 -6.539 25.751 -20.608 1.00 0.00 C ATOM 611 CG PRO A 42 -5.076 25.479 -20.434 1.00 0.00 C ATOM 612 CD PRO A 42 -4.858 24.061 -20.917 1.00 0.00 C ATOM 0 HA PRO A 42 -7.569 24.281 -19.296 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.761 26.106 -21.615 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.886 26.518 -19.916 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.476 26.184 -21.009 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.780 25.586 -19.390 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.599 24.034 -21.976 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.045 23.576 -20.378 1.00 0.00 H new ATOM 620 N GLY A 43 -9.492 23.477 -20.581 1.00 0.00 N ATOM 621 CA GLY A 43 -10.795 23.229 -21.211 1.00 0.00 C ATOM 622 C GLY A 43 -10.873 21.911 -21.987 1.00 0.00 C ATOM 623 O GLY A 43 -11.975 21.426 -22.288 1.00 0.00 O ATOM 0 H GLY A 43 -9.400 23.061 -19.654 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.566 23.231 -20.440 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.021 24.052 -21.889 1.00 0.00 H new ATOM 627 N LYS A 44 -9.705 21.324 -22.312 1.00 0.00 N ATOM 628 CA LYS A 44 -9.611 20.051 -23.061 1.00 0.00 C ATOM 629 C LYS A 44 -9.212 18.908 -22.109 1.00 0.00 C ATOM 630 O LYS A 44 -8.330 19.075 -21.269 1.00 0.00 O ATOM 631 CB LYS A 44 -8.598 20.171 -24.236 1.00 0.00 C ATOM 632 CG LYS A 44 -8.904 21.278 -25.297 1.00 0.00 C ATOM 633 CD LYS A 44 -10.086 20.957 -26.269 1.00 0.00 C ATOM 634 CE LYS A 44 -11.490 21.160 -25.659 1.00 0.00 C ATOM 635 NZ LYS A 44 -12.570 21.042 -26.669 1.00 0.00 N ATOM 0 H LYS A 44 -8.798 21.718 -22.063 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.589 19.826 -23.487 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.609 20.360 -23.819 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.550 19.210 -24.747 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.126 22.209 -24.775 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.005 21.451 -25.888 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.994 21.587 -27.154 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.995 19.923 -26.603 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.651 20.423 -24.872 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.541 22.143 -25.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.492 21.186 -26.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.435 21.762 -27.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.542 20.095 -27.099 1.00 0.00 H new ATOM 649 N GLU A 45 -9.860 17.750 -22.286 1.00 0.00 N ATOM 650 CA GLU A 45 -9.736 16.578 -21.389 1.00 0.00 C ATOM 651 C GLU A 45 -8.305 15.995 -21.368 1.00 0.00 C ATOM 652 O GLU A 45 -7.486 16.295 -22.253 1.00 0.00 O ATOM 653 CB GLU A 45 -10.741 15.485 -21.843 1.00 0.00 C ATOM 654 CG GLU A 45 -10.458 14.911 -23.254 1.00 0.00 C ATOM 655 CD GLU A 45 -11.580 14.012 -23.786 1.00 0.00 C ATOM 656 OE1 GLU A 45 -12.453 14.509 -24.528 1.00 0.00 O ATOM 657 OE2 GLU A 45 -11.604 12.805 -23.450 1.00 0.00 O ATOM 0 H GLU A 45 -10.497 17.591 -23.067 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.960 16.910 -20.375 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.724 14.669 -21.121 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.747 15.903 -21.828 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.305 15.736 -23.949 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.529 14.341 -23.226 1.00 0.00 H new ATOM 664 N ARG A 46 -8.019 15.158 -20.341 1.00 0.00 N ATOM 665 CA ARG A 46 -6.800 14.327 -20.297 1.00 0.00 C ATOM 666 C ARG A 46 -6.779 13.406 -21.541 1.00 0.00 C ATOM 667 O ARG A 46 -7.738 12.672 -21.803 1.00 0.00 O ATOM 668 CB ARG A 46 -6.681 13.507 -18.955 1.00 0.00 C ATOM 669 CG ARG A 46 -7.676 12.326 -18.758 1.00 0.00 C ATOM 670 CD ARG A 46 -9.149 12.762 -18.607 1.00 0.00 C ATOM 671 NE ARG A 46 -10.093 11.637 -18.760 1.00 0.00 N ATOM 672 CZ ARG A 46 -10.701 11.294 -19.909 1.00 0.00 C ATOM 673 NH1 ARG A 46 -10.385 11.906 -21.049 1.00 0.00 N ATOM 674 NH2 ARG A 46 -11.592 10.315 -19.922 1.00 0.00 N ATOM 0 H ARG A 46 -8.624 15.043 -19.528 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.928 14.980 -20.318 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.668 13.111 -18.889 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.808 14.199 -18.123 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.594 11.650 -19.609 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.383 11.762 -17.873 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.290 13.219 -17.628 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.376 13.526 -19.351 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.299 11.078 -17.932 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.677 12.640 -21.054 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.851 11.640 -21.917 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.818 9.820 -19.059 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.052 10.056 -20.795 1.00 0.00 H new ATOM 688 N GLU A 47 -5.713 13.521 -22.334 1.00 0.00 N ATOM 689 CA GLU A 47 -5.597 12.852 -23.633 1.00 0.00 C ATOM 690 C GLU A 47 -4.452 11.845 -23.587 1.00 0.00 C ATOM 691 O GLU A 47 -3.336 12.207 -23.213 1.00 0.00 O ATOM 692 CB GLU A 47 -5.320 13.899 -24.736 1.00 0.00 C ATOM 693 CG GLU A 47 -5.241 13.323 -26.169 1.00 0.00 C ATOM 694 CD GLU A 47 -4.708 14.315 -27.216 1.00 0.00 C ATOM 695 OE1 GLU A 47 -3.876 13.920 -28.066 1.00 0.00 O ATOM 696 OE2 GLU A 47 -5.090 15.507 -27.180 1.00 0.00 O ATOM 0 H GLU A 47 -4.899 14.085 -22.092 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.529 12.333 -23.855 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.105 14.655 -24.706 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.381 14.405 -24.510 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.600 12.442 -26.160 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.234 12.991 -26.471 1.00 0.00 H new ATOM 703 N PHE A 48 -4.740 10.608 -23.993 1.00 0.00 N ATOM 704 CA PHE A 48 -3.756 9.523 -24.054 1.00 0.00 C ATOM 705 C PHE A 48 -2.698 9.839 -25.135 1.00 0.00 C ATOM 706 O PHE A 48 -2.990 9.803 -26.332 1.00 0.00 O ATOM 707 CB PHE A 48 -4.515 8.202 -24.347 1.00 0.00 C ATOM 708 CG PHE A 48 -3.666 6.935 -24.370 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.943 6.538 -23.245 1.00 0.00 C ATOM 710 CD2 PHE A 48 -3.611 6.123 -25.503 1.00 0.00 C ATOM 711 CE1 PHE A 48 -2.203 5.374 -23.252 1.00 0.00 C ATOM 712 CE2 PHE A 48 -2.866 4.963 -25.507 1.00 0.00 C ATOM 713 CZ PHE A 48 -2.161 4.592 -24.387 1.00 0.00 C ATOM 0 H PHE A 48 -5.673 10.326 -24.293 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.225 9.419 -23.108 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.295 8.080 -23.595 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.014 8.299 -25.311 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.963 7.151 -22.356 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.159 6.407 -26.389 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.657 5.075 -22.369 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.836 4.345 -26.392 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.573 3.686 -24.396 1.00 0.00 H new ATOM 723 N VAL A 49 -1.484 10.187 -24.673 1.00 0.00 N ATOM 724 CA VAL A 49 -0.353 10.599 -25.538 1.00 0.00 C ATOM 725 C VAL A 49 0.536 9.383 -25.855 1.00 0.00 C ATOM 726 O VAL A 49 0.763 9.053 -27.022 1.00 0.00 O ATOM 727 CB VAL A 49 0.531 11.724 -24.857 1.00 0.00 C ATOM 728 CG1 VAL A 49 1.698 12.201 -25.777 1.00 0.00 C ATOM 729 CG2 VAL A 49 -0.344 12.913 -24.397 1.00 0.00 C ATOM 0 H VAL A 49 -1.253 10.192 -23.679 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.776 11.006 -26.456 1.00 0.00 H new ATOM 0 HB VAL A 49 0.991 11.278 -23.975 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.274 12.972 -25.264 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.347 11.357 -26.008 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.289 12.608 -26.702 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.287 13.671 -23.933 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.855 13.344 -25.258 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.082 12.564 -23.675 1.00 0.00 H new ATOM 739 N ALA A 50 1.009 8.719 -24.784 1.00 0.00 N ATOM 740 CA ALA A 50 2.004 7.634 -24.875 1.00 0.00 C ATOM 741 C ALA A 50 1.673 6.503 -23.887 1.00 0.00 C ATOM 742 O ALA A 50 0.897 6.699 -22.949 1.00 0.00 O ATOM 743 CB ALA A 50 3.419 8.192 -24.619 1.00 0.00 C ATOM 0 H ALA A 50 0.711 8.920 -23.829 1.00 0.00 H new ATOM 0 HA ALA A 50 1.972 7.216 -25.881 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.147 7.384 -24.688 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.650 8.953 -25.364 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.461 8.634 -23.624 1.00 0.00 H new ATOM 749 N ALA A 51 2.293 5.330 -24.112 1.00 0.00 N ATOM 750 CA ALA A 51 2.065 4.108 -23.320 1.00 0.00 C ATOM 751 C ALA A 51 3.399 3.388 -23.073 1.00 0.00 C ATOM 752 O ALA A 51 4.123 3.041 -24.028 1.00 0.00 O ATOM 753 CB ALA A 51 1.077 3.172 -24.040 1.00 0.00 C ATOM 0 H ALA A 51 2.976 5.203 -24.859 1.00 0.00 H new ATOM 0 HA ALA A 51 1.631 4.389 -22.360 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.922 2.276 -23.440 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.125 3.685 -24.179 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.484 2.892 -25.012 1.00 0.00 H new ATOM 759 N ILE A 52 3.705 3.168 -21.787 1.00 0.00 N ATOM 760 CA ILE A 52 4.883 2.420 -21.349 1.00 0.00 C ATOM 761 C ILE A 52 4.394 1.078 -20.790 1.00 0.00 C ATOM 762 O ILE A 52 3.616 1.025 -19.832 1.00 0.00 O ATOM 763 CB ILE A 52 5.756 3.195 -20.277 1.00 0.00 C ATOM 764 CG1 ILE A 52 6.461 4.460 -20.904 1.00 0.00 C ATOM 765 CG2 ILE A 52 6.792 2.255 -19.608 1.00 0.00 C ATOM 766 CD1 ILE A 52 5.550 5.644 -21.231 1.00 0.00 C ATOM 0 H ILE A 52 3.132 3.510 -21.015 1.00 0.00 H new ATOM 0 HA ILE A 52 5.544 2.275 -22.204 1.00 0.00 H new ATOM 0 HB ILE A 52 5.076 3.549 -19.502 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.232 4.801 -20.213 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.966 4.153 -21.820 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.375 2.817 -18.878 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.272 1.439 -19.107 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.458 1.848 -20.369 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.144 6.453 -21.656 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.793 5.333 -21.951 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.063 5.991 -20.320 1.00 0.00 H new ATOM 778 N ARG A 53 4.861 0.005 -21.429 1.00 0.00 N ATOM 779 CA ARG A 53 4.460 -1.361 -21.129 1.00 0.00 C ATOM 780 C ARG A 53 5.728 -2.120 -20.724 1.00 0.00 C ATOM 781 O ARG A 53 6.586 -2.394 -21.574 1.00 0.00 O ATOM 782 CB ARG A 53 3.792 -1.999 -22.384 1.00 0.00 C ATOM 783 CG ARG A 53 2.935 -3.256 -22.108 1.00 0.00 C ATOM 784 CD ARG A 53 1.610 -2.909 -21.391 1.00 0.00 C ATOM 785 NE ARG A 53 0.785 -1.968 -22.187 1.00 0.00 N ATOM 786 CZ ARG A 53 -0.128 -1.107 -21.694 1.00 0.00 C ATOM 787 NH1 ARG A 53 -0.488 -1.139 -20.418 1.00 0.00 N ATOM 788 NH2 ARG A 53 -0.718 -0.238 -22.500 1.00 0.00 N ATOM 0 H ARG A 53 5.543 0.068 -22.185 1.00 0.00 H new ATOM 0 HA ARG A 53 3.730 -1.398 -20.320 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.163 -1.248 -22.862 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.573 -2.261 -23.097 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.716 -3.759 -23.050 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.505 -3.956 -21.497 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.045 -3.823 -21.208 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.827 -2.469 -20.418 1.00 0.00 H new ATOM 0 HE ARG A 53 0.920 -1.973 -23.198 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.072 -1.825 -19.788 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.181 -0.478 -20.067 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.482 -0.221 -23.492 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.409 0.414 -22.129 1.00 0.00 H new ATOM 802 N TRP A 54 5.865 -2.437 -19.417 1.00 0.00 N ATOM 803 CA TRP A 54 7.062 -3.133 -18.884 1.00 0.00 C ATOM 804 C TRP A 54 7.134 -4.606 -19.397 1.00 0.00 C ATOM 805 O TRP A 54 8.143 -5.291 -19.227 1.00 0.00 O ATOM 806 CB TRP A 54 7.085 -3.049 -17.326 1.00 0.00 C ATOM 807 CG TRP A 54 8.393 -3.492 -16.697 1.00 0.00 C ATOM 808 CD1 TRP A 54 9.570 -2.786 -16.657 1.00 0.00 C ATOM 809 CD2 TRP A 54 8.656 -4.736 -16.034 1.00 0.00 C ATOM 810 NE1 TRP A 54 10.535 -3.520 -16.017 1.00 0.00 N ATOM 811 CE2 TRP A 54 9.999 -4.715 -15.621 1.00 0.00 C ATOM 812 CE3 TRP A 54 7.877 -5.862 -15.735 1.00 0.00 C ATOM 813 CZ2 TRP A 54 10.592 -5.781 -14.944 1.00 0.00 C ATOM 814 CZ3 TRP A 54 8.464 -6.919 -15.063 1.00 0.00 C ATOM 815 CH2 TRP A 54 9.809 -6.870 -14.665 1.00 0.00 C ATOM 0 H TRP A 54 5.162 -2.222 -18.710 1.00 0.00 H new ATOM 0 HA TRP A 54 7.955 -2.630 -19.256 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.881 -2.021 -17.026 1.00 0.00 H new ATOM 0 HB3 TRP A 54 6.277 -3.664 -16.928 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.714 -1.798 -17.069 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.498 -3.223 -15.861 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.837 -5.904 -16.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.631 -5.749 -14.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 7.877 -7.798 -14.841 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.234 -7.706 -14.129 1.00 0.00 H new ATOM 826 N SER A 55 6.058 -5.054 -20.079 1.00 0.00 N ATOM 827 CA SER A 55 5.984 -6.367 -20.766 1.00 0.00 C ATOM 828 C SER A 55 6.921 -6.453 -22.008 1.00 0.00 C ATOM 829 O SER A 55 6.994 -7.502 -22.664 1.00 0.00 O ATOM 830 CB SER A 55 4.514 -6.611 -21.198 1.00 0.00 C ATOM 831 OG SER A 55 3.615 -6.307 -20.137 1.00 0.00 O ATOM 0 H SER A 55 5.202 -4.507 -20.171 1.00 0.00 H new ATOM 0 HA SER A 55 6.322 -7.133 -20.068 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.279 -5.996 -22.066 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.388 -7.651 -21.500 1.00 0.00 H new ATOM 0 HG SER A 55 2.780 -5.951 -20.507 1.00 0.00 H new ATOM 837 N GLY A 56 7.623 -5.341 -22.325 1.00 0.00 N ATOM 838 CA GLY A 56 8.542 -5.276 -23.471 1.00 0.00 C ATOM 839 C GLY A 56 8.009 -4.387 -24.596 1.00 0.00 C ATOM 840 O GLY A 56 8.483 -4.469 -25.736 1.00 0.00 O ATOM 0 H GLY A 56 7.565 -4.472 -21.794 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.508 -4.896 -23.138 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.711 -6.282 -23.855 1.00 0.00 H new ATOM 844 N GLY A 57 7.014 -3.531 -24.273 1.00 0.00 N ATOM 845 CA GLY A 57 6.452 -2.574 -25.235 1.00 0.00 C ATOM 846 C GLY A 57 7.119 -1.207 -25.108 1.00 0.00 C ATOM 847 O GLY A 57 8.165 -0.972 -25.722 1.00 0.00 O ATOM 0 H GLY A 57 6.586 -3.488 -23.348 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.584 -2.953 -26.248 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.379 -2.475 -25.069 1.00 0.00 H new ATOM 851 N SER A 58 6.497 -0.315 -24.305 1.00 0.00 N ATOM 852 CA SER A 58 7.053 1.010 -23.936 1.00 0.00 C ATOM 853 C SER A 58 7.273 1.933 -25.151 1.00 0.00 C ATOM 854 O SER A 58 8.231 2.716 -25.189 1.00 0.00 O ATOM 855 CB SER A 58 8.335 0.832 -23.085 1.00 0.00 C ATOM 856 OG SER A 58 8.052 0.082 -21.911 1.00 0.00 O ATOM 0 H SER A 58 5.583 -0.496 -23.889 1.00 0.00 H new ATOM 0 HA SER A 58 6.308 1.522 -23.326 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.101 0.325 -23.672 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.736 1.808 -22.812 1.00 0.00 H new ATOM 0 HG SER A 58 7.671 -0.785 -22.161 1.00 0.00 H new ATOM 862 N THR A 59 6.322 1.892 -26.101 1.00 0.00 N ATOM 863 CA THR A 59 6.406 2.633 -27.369 1.00 0.00 C ATOM 864 C THR A 59 4.979 2.987 -27.817 1.00 0.00 C ATOM 865 O THR A 59 4.143 2.090 -28.001 1.00 0.00 O ATOM 866 CB THR A 59 7.132 1.796 -28.489 1.00 0.00 C ATOM 867 OG1 THR A 59 6.664 0.435 -28.462 1.00 0.00 O ATOM 868 CG2 THR A 59 8.670 1.810 -28.350 1.00 0.00 C ATOM 0 H THR A 59 5.469 1.340 -26.009 1.00 0.00 H new ATOM 0 HA THR A 59 6.995 3.536 -27.211 1.00 0.00 H new ATOM 0 HB THR A 59 6.888 2.267 -29.441 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.694 0.425 -28.322 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.113 1.216 -29.150 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.032 2.836 -28.416 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.952 1.387 -27.386 1.00 0.00 H new ATOM 876 N TYR A 60 4.717 4.294 -27.982 1.00 0.00 N ATOM 877 CA TYR A 60 3.420 4.817 -28.405 1.00 0.00 C ATOM 878 C TYR A 60 3.583 6.310 -28.704 1.00 0.00 C ATOM 879 O TYR A 60 4.077 7.059 -27.857 1.00 0.00 O ATOM 880 CB TYR A 60 2.331 4.588 -27.322 1.00 0.00 C ATOM 881 CG TYR A 60 0.902 4.604 -27.869 1.00 0.00 C ATOM 882 CD1 TYR A 60 0.267 3.413 -28.226 1.00 0.00 C ATOM 883 CD2 TYR A 60 0.194 5.797 -28.039 1.00 0.00 C ATOM 884 CE1 TYR A 60 -1.019 3.412 -28.739 1.00 0.00 C ATOM 885 CE2 TYR A 60 -1.092 5.801 -28.552 1.00 0.00 C ATOM 886 CZ TYR A 60 -1.695 4.602 -28.896 1.00 0.00 C ATOM 887 OH TYR A 60 -2.982 4.593 -29.400 1.00 0.00 O ATOM 0 H TYR A 60 5.414 5.022 -27.822 1.00 0.00 H new ATOM 0 HA TYR A 60 3.090 4.287 -29.298 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.513 3.630 -26.835 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.426 5.358 -26.557 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.788 2.476 -28.100 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.658 6.733 -27.765 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.491 2.481 -29.015 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.622 6.733 -28.683 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.321 5.511 -29.448 1.00 0.00 H new ATOM 897 N TYR A 61 3.163 6.715 -29.904 1.00 0.00 N ATOM 898 CA TYR A 61 3.275 8.097 -30.395 1.00 0.00 C ATOM 899 C TYR A 61 2.343 8.274 -31.604 1.00 0.00 C ATOM 900 O TYR A 61 2.173 7.343 -32.403 1.00 0.00 O ATOM 901 CB TYR A 61 4.759 8.446 -30.766 1.00 0.00 C ATOM 902 CG TYR A 61 5.465 7.400 -31.661 1.00 0.00 C ATOM 903 CD1 TYR A 61 6.258 6.385 -31.108 1.00 0.00 C ATOM 904 CD2 TYR A 61 5.330 7.415 -33.054 1.00 0.00 C ATOM 905 CE1 TYR A 61 6.880 5.437 -31.904 1.00 0.00 C ATOM 906 CE2 TYR A 61 5.954 6.468 -33.851 1.00 0.00 C ATOM 907 CZ TYR A 61 6.726 5.481 -33.274 1.00 0.00 C ATOM 908 OH TYR A 61 7.346 4.535 -34.073 1.00 0.00 O ATOM 0 H TYR A 61 2.727 6.084 -30.576 1.00 0.00 H new ATOM 0 HA TYR A 61 2.974 8.786 -29.606 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.775 9.410 -31.275 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.331 8.562 -29.846 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.387 6.341 -30.037 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.727 8.181 -33.518 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.485 4.664 -31.452 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.836 6.503 -34.924 1.00 0.00 H new ATOM 0 HH TYR A 61 7.133 4.711 -35.013 1.00 0.00 H new ATOM 918 N ALA A 62 1.738 9.465 -31.726 1.00 0.00 N ATOM 919 CA ALA A 62 0.891 9.817 -32.875 1.00 0.00 C ATOM 920 C ALA A 62 1.747 9.953 -34.152 1.00 0.00 C ATOM 921 O ALA A 62 2.943 10.252 -34.071 1.00 0.00 O ATOM 922 CB ALA A 62 0.120 11.112 -32.569 1.00 0.00 C ATOM 0 H ALA A 62 1.822 10.209 -31.033 1.00 0.00 H new ATOM 0 HA ALA A 62 0.167 9.022 -33.051 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.508 11.372 -33.422 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.506 10.963 -31.689 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.827 11.920 -32.379 1.00 0.00 H new ATOM 928 N ASP A 63 1.123 9.733 -35.322 1.00 0.00 N ATOM 929 CA ASP A 63 1.815 9.775 -36.634 1.00 0.00 C ATOM 930 C ASP A 63 2.407 11.182 -36.891 1.00 0.00 C ATOM 931 O ASP A 63 3.491 11.323 -37.465 1.00 0.00 O ATOM 932 CB ASP A 63 0.825 9.392 -37.767 1.00 0.00 C ATOM 933 CG ASP A 63 1.495 9.192 -39.148 1.00 0.00 C ATOM 934 OD1 ASP A 63 1.736 10.187 -39.871 1.00 0.00 O ATOM 935 OD2 ASP A 63 1.777 8.033 -39.521 1.00 0.00 O ATOM 0 H ASP A 63 0.128 9.521 -35.391 1.00 0.00 H new ATOM 0 HA ASP A 63 2.634 9.056 -36.621 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.308 8.473 -37.489 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.067 10.171 -37.852 1.00 0.00 H new ATOM 940 N SER A 64 1.678 12.213 -36.422 1.00 0.00 N ATOM 941 CA SER A 64 2.072 13.626 -36.552 1.00 0.00 C ATOM 942 C SER A 64 3.384 13.933 -35.790 1.00 0.00 C ATOM 943 O SER A 64 4.184 14.767 -36.231 1.00 0.00 O ATOM 944 CB SER A 64 0.934 14.533 -36.028 1.00 0.00 C ATOM 945 OG SER A 64 1.271 15.907 -36.134 1.00 0.00 O ATOM 0 H SER A 64 0.790 12.085 -35.937 1.00 0.00 H new ATOM 0 HA SER A 64 2.251 13.827 -37.608 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.022 14.337 -36.592 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.723 14.289 -34.987 1.00 0.00 H new ATOM 0 HG SER A 64 0.530 16.453 -35.796 1.00 0.00 H new ATOM 951 N VAL A 65 3.584 13.251 -34.643 1.00 0.00 N ATOM 952 CA VAL A 65 4.756 13.446 -33.758 1.00 0.00 C ATOM 953 C VAL A 65 5.723 12.237 -33.837 1.00 0.00 C ATOM 954 O VAL A 65 6.573 12.056 -32.954 1.00 0.00 O ATOM 955 CB VAL A 65 4.296 13.687 -32.267 1.00 0.00 C ATOM 956 CG1 VAL A 65 3.421 14.960 -32.143 1.00 0.00 C ATOM 957 CG2 VAL A 65 3.572 12.447 -31.677 1.00 0.00 C ATOM 0 H VAL A 65 2.933 12.544 -34.301 1.00 0.00 H new ATOM 0 HA VAL A 65 5.291 14.331 -34.103 1.00 0.00 H new ATOM 0 HB VAL A 65 5.198 13.846 -31.676 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.122 15.096 -31.104 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.992 15.828 -32.473 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.533 14.853 -32.765 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.272 12.655 -30.650 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.688 12.223 -32.275 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.246 11.591 -31.692 1.00 0.00 H new ATOM 967 N LYS A 66 5.588 11.446 -34.925 1.00 0.00 N ATOM 968 CA LYS A 66 6.372 10.210 -35.158 1.00 0.00 C ATOM 969 C LYS A 66 7.880 10.490 -35.150 1.00 0.00 C ATOM 970 O LYS A 66 8.375 11.254 -35.984 1.00 0.00 O ATOM 971 CB LYS A 66 5.977 9.582 -36.523 1.00 0.00 C ATOM 972 CG LYS A 66 6.743 8.285 -36.906 1.00 0.00 C ATOM 973 CD LYS A 66 6.357 7.754 -38.307 1.00 0.00 C ATOM 974 CE LYS A 66 4.859 7.433 -38.431 1.00 0.00 C ATOM 975 NZ LYS A 66 4.496 6.992 -39.804 1.00 0.00 N ATOM 0 H LYS A 66 4.926 11.649 -35.674 1.00 0.00 H new ATOM 0 HA LYS A 66 6.146 9.517 -34.348 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.910 9.362 -36.507 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.138 10.324 -37.305 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.815 8.480 -36.879 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.540 7.515 -36.162 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.628 8.495 -39.059 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.935 6.855 -38.522 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.595 6.652 -37.718 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.276 8.316 -38.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.508 7.250 -40.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.120 7.457 -40.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.606 5.960 -39.878 1.00 0.00 H new ATOM 989 N GLY A 67 8.585 9.888 -34.180 1.00 0.00 N ATOM 990 CA GLY A 67 10.038 10.003 -34.062 1.00 0.00 C ATOM 991 C GLY A 67 10.490 11.196 -33.228 1.00 0.00 C ATOM 992 O GLY A 67 11.563 11.148 -32.616 1.00 0.00 O ATOM 0 H GLY A 67 8.159 9.308 -33.457 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.431 9.089 -33.617 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.470 10.083 -35.060 1.00 0.00 H new ATOM 996 N ARG A 68 9.669 12.265 -33.197 1.00 0.00 N ATOM 997 CA ARG A 68 9.962 13.474 -32.413 1.00 0.00 C ATOM 998 C ARG A 68 9.643 13.204 -30.934 1.00 0.00 C ATOM 999 O ARG A 68 10.521 13.273 -30.062 1.00 0.00 O ATOM 1000 CB ARG A 68 9.143 14.695 -32.915 1.00 0.00 C ATOM 1001 CG ARG A 68 9.144 14.943 -34.441 1.00 0.00 C ATOM 1002 CD ARG A 68 8.630 16.362 -34.818 1.00 0.00 C ATOM 1003 NE ARG A 68 7.647 16.904 -33.839 1.00 0.00 N ATOM 1004 CZ ARG A 68 6.341 17.113 -34.047 1.00 0.00 C ATOM 1005 NH1 ARG A 68 5.766 16.773 -35.193 1.00 0.00 N ATOM 1006 NH2 ARG A 68 5.609 17.675 -33.092 1.00 0.00 N ATOM 0 H ARG A 68 8.790 12.311 -33.713 1.00 0.00 H new ATOM 0 HA ARG A 68 11.019 13.714 -32.533 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.110 14.571 -32.590 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.526 15.589 -32.423 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.156 14.813 -34.826 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.520 14.194 -34.927 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.478 17.043 -34.888 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.169 16.325 -35.805 1.00 0.00 H new ATOM 0 HE ARG A 68 8.006 17.141 -32.914 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.320 16.344 -35.934 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.770 16.940 -35.333 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.042 17.944 -32.209 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.613 17.838 -33.242 1.00 0.00 H new ATOM 1020 N PHE A 69 8.365 12.879 -30.669 1.00 0.00 N ATOM 1021 CA PHE A 69 7.895 12.515 -29.327 1.00 0.00 C ATOM 1022 C PHE A 69 8.167 11.018 -29.121 1.00 0.00 C ATOM 1023 O PHE A 69 7.705 10.175 -29.903 1.00 0.00 O ATOM 1024 CB PHE A 69 6.383 12.826 -29.149 1.00 0.00 C ATOM 1025 CG PHE A 69 5.980 14.316 -29.106 1.00 0.00 C ATOM 1026 CD1 PHE A 69 4.864 14.720 -28.367 1.00 0.00 C ATOM 1027 CD2 PHE A 69 6.694 15.308 -29.792 1.00 0.00 C ATOM 1028 CE1 PHE A 69 4.467 16.044 -28.334 1.00 0.00 C ATOM 1029 CE2 PHE A 69 6.294 16.636 -29.752 1.00 0.00 C ATOM 1030 CZ PHE A 69 5.189 17.004 -29.015 1.00 0.00 C ATOM 0 H PHE A 69 7.633 12.862 -31.379 1.00 0.00 H new ATOM 0 HA PHE A 69 8.428 13.105 -28.581 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.840 12.350 -29.966 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.046 12.356 -28.225 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.302 13.984 -27.812 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.570 15.034 -30.361 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.589 16.328 -27.773 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.850 17.383 -30.300 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.889 18.040 -28.970 1.00 0.00 H new ATOM 1040 N THR A 70 8.936 10.720 -28.075 1.00 0.00 N ATOM 1041 CA THR A 70 9.455 9.386 -27.765 1.00 0.00 C ATOM 1042 C THR A 70 9.459 9.202 -26.244 1.00 0.00 C ATOM 1043 O THR A 70 9.523 10.180 -25.491 1.00 0.00 O ATOM 1044 CB THR A 70 10.911 9.189 -28.341 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.686 10.379 -28.124 1.00 0.00 O ATOM 1046 CG2 THR A 70 10.913 8.841 -29.850 1.00 0.00 C ATOM 0 H THR A 70 9.226 11.424 -27.396 1.00 0.00 H new ATOM 0 HA THR A 70 8.814 8.638 -28.232 1.00 0.00 H new ATOM 0 HB THR A 70 11.353 8.346 -27.810 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.589 10.251 -28.482 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.940 8.717 -30.193 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.362 7.914 -30.010 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.438 9.647 -30.410 1.00 0.00 H new ATOM 1054 N ILE A 71 9.371 7.939 -25.805 1.00 0.00 N ATOM 1055 CA ILE A 71 9.403 7.563 -24.379 1.00 0.00 C ATOM 1056 C ILE A 71 10.418 6.440 -24.146 1.00 0.00 C ATOM 1057 O ILE A 71 10.741 5.669 -25.058 1.00 0.00 O ATOM 1058 CB ILE A 71 7.997 7.116 -23.799 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.365 5.899 -24.569 1.00 0.00 C ATOM 1060 CG2 ILE A 71 7.016 8.296 -23.744 1.00 0.00 C ATOM 1061 CD1 ILE A 71 6.775 6.208 -25.936 1.00 0.00 C ATOM 0 H ILE A 71 9.275 7.141 -26.432 1.00 0.00 H new ATOM 0 HA ILE A 71 9.695 8.467 -23.845 1.00 0.00 H new ATOM 0 HB ILE A 71 8.188 6.773 -22.782 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.132 5.134 -24.691 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.581 5.468 -23.946 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.061 7.957 -23.342 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.423 9.078 -23.103 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.867 8.692 -24.748 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.369 5.295 -26.372 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.979 6.945 -25.831 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.554 6.606 -26.587 1.00 0.00 H new ATOM 1073 N SER A 72 10.918 6.389 -22.908 1.00 0.00 N ATOM 1074 CA SER A 72 11.824 5.352 -22.411 1.00 0.00 C ATOM 1075 C SER A 72 11.579 5.193 -20.904 1.00 0.00 C ATOM 1076 O SER A 72 11.451 6.193 -20.197 1.00 0.00 O ATOM 1077 CB SER A 72 13.300 5.750 -22.662 1.00 0.00 C ATOM 1078 OG SER A 72 13.557 6.000 -24.035 1.00 0.00 O ATOM 0 H SER A 72 10.696 7.091 -22.202 1.00 0.00 H new ATOM 0 HA SER A 72 11.634 4.414 -22.934 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.539 6.640 -22.080 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.955 4.953 -22.310 1.00 0.00 H new ATOM 0 HG SER A 72 14.498 6.249 -24.152 1.00 0.00 H new ATOM 1084 N ARG A 73 11.503 3.950 -20.416 1.00 0.00 N ATOM 1085 CA ARG A 73 11.429 3.672 -18.977 1.00 0.00 C ATOM 1086 C ARG A 73 12.739 3.034 -18.532 1.00 0.00 C ATOM 1087 O ARG A 73 13.148 2.009 -19.081 1.00 0.00 O ATOM 1088 CB ARG A 73 10.246 2.729 -18.636 1.00 0.00 C ATOM 1089 CG ARG A 73 10.150 2.353 -17.129 1.00 0.00 C ATOM 1090 CD ARG A 73 9.024 1.354 -16.813 1.00 0.00 C ATOM 1091 NE ARG A 73 9.013 0.971 -15.385 1.00 0.00 N ATOM 1092 CZ ARG A 73 8.034 0.285 -14.773 1.00 0.00 C ATOM 1093 NH1 ARG A 73 6.947 -0.101 -15.440 1.00 0.00 N ATOM 1094 NH2 ARG A 73 8.144 -0.011 -13.486 1.00 0.00 N ATOM 0 H ARG A 73 11.491 3.115 -21.001 1.00 0.00 H new ATOM 0 HA ARG A 73 11.263 4.612 -18.451 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.315 3.206 -18.941 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.342 1.815 -19.222 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.101 1.929 -16.808 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.993 3.261 -16.546 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.063 1.794 -17.078 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.147 0.462 -17.427 1.00 0.00 H new ATOM 0 HE ARG A 73 9.814 1.250 -14.819 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.850 0.124 -16.430 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.212 -0.621 -14.960 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.970 0.282 -12.964 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.403 -0.532 -13.017 1.00 0.00 H new ATOM 1108 N ASP A 74 13.386 3.661 -17.548 1.00 0.00 N ATOM 1109 CA ASP A 74 14.529 3.081 -16.840 1.00 0.00 C ATOM 1110 C ASP A 74 13.991 2.319 -15.620 1.00 0.00 C ATOM 1111 O ASP A 74 13.208 2.871 -14.841 1.00 0.00 O ATOM 1112 CB ASP A 74 15.524 4.193 -16.406 1.00 0.00 C ATOM 1113 CG ASP A 74 16.864 3.629 -15.898 1.00 0.00 C ATOM 1114 OD1 ASP A 74 17.859 3.657 -16.647 1.00 0.00 O ATOM 1115 OD2 ASP A 74 16.922 3.154 -14.752 1.00 0.00 O ATOM 0 H ASP A 74 13.130 4.591 -17.218 1.00 0.00 H new ATOM 0 HA ASP A 74 15.073 2.399 -17.494 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.711 4.857 -17.250 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.068 4.796 -15.621 1.00 0.00 H new ATOM 1120 N ASN A 75 14.400 1.057 -15.479 1.00 0.00 N ATOM 1121 CA ASN A 75 13.932 0.166 -14.398 1.00 0.00 C ATOM 1122 C ASN A 75 14.802 0.327 -13.129 1.00 0.00 C ATOM 1123 O ASN A 75 14.316 0.124 -12.006 1.00 0.00 O ATOM 1124 CB ASN A 75 13.963 -1.303 -14.900 1.00 0.00 C ATOM 1125 CG ASN A 75 13.210 -2.295 -14.002 1.00 0.00 C ATOM 1126 OD1 ASN A 75 12.180 -1.958 -13.411 1.00 0.00 O ATOM 1127 ND2 ASN A 75 13.714 -3.520 -13.895 1.00 0.00 N ATOM 0 H ASN A 75 15.068 0.615 -16.111 1.00 0.00 H new ATOM 0 HA ASN A 75 12.911 0.437 -14.131 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.535 -1.341 -15.902 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.001 -1.624 -14.984 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.248 -4.214 -13.311 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.567 -3.766 -14.397 1.00 0.00 H new ATOM 1134 N ALA A 76 16.082 0.717 -13.330 1.00 0.00 N ATOM 1135 CA ALA A 76 17.104 0.744 -12.261 1.00 0.00 C ATOM 1136 C ALA A 76 16.751 1.736 -11.136 1.00 0.00 C ATOM 1137 O ALA A 76 16.961 1.421 -9.965 1.00 0.00 O ATOM 1138 CB ALA A 76 18.501 1.034 -12.841 1.00 0.00 C ATOM 0 H ALA A 76 16.434 1.021 -14.238 1.00 0.00 H new ATOM 0 HA ALA A 76 17.120 -0.249 -11.811 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.234 1.048 -12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.766 0.257 -13.558 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.493 2.002 -13.342 1.00 0.00 H new ATOM 1144 N LYS A 77 16.212 2.931 -11.483 1.00 0.00 N ATOM 1145 CA LYS A 77 15.677 3.882 -10.462 1.00 0.00 C ATOM 1146 C LYS A 77 14.158 4.109 -10.623 1.00 0.00 C ATOM 1147 O LYS A 77 13.574 4.905 -9.872 1.00 0.00 O ATOM 1148 CB LYS A 77 16.442 5.252 -10.438 1.00 0.00 C ATOM 1149 CG LYS A 77 16.375 6.120 -11.720 1.00 0.00 C ATOM 1150 CD LYS A 77 17.376 5.682 -12.804 1.00 0.00 C ATOM 1151 CE LYS A 77 17.369 6.617 -14.029 1.00 0.00 C ATOM 1152 NZ LYS A 77 17.754 8.006 -13.680 1.00 0.00 N ATOM 0 H LYS A 77 16.134 3.261 -12.445 1.00 0.00 H new ATOM 0 HA LYS A 77 15.849 3.403 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 77 16.052 5.843 -9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.491 5.050 -10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.365 6.076 -12.128 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.567 7.160 -11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.379 5.655 -12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.138 4.668 -13.124 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.056 6.230 -14.782 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.375 6.619 -14.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.179 8.675 -14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.593 8.166 -12.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.760 8.153 -13.899 1.00 0.00 H new ATOM 1166 N ASN A 78 13.532 3.371 -11.572 1.00 0.00 N ATOM 1167 CA ASN A 78 12.093 3.486 -11.901 1.00 0.00 C ATOM 1168 C ASN A 78 11.714 4.940 -12.240 1.00 0.00 C ATOM 1169 O ASN A 78 11.054 5.623 -11.460 1.00 0.00 O ATOM 1170 CB ASN A 78 11.180 2.895 -10.783 1.00 0.00 C ATOM 1171 CG ASN A 78 11.247 1.369 -10.692 1.00 0.00 C ATOM 1172 OD1 ASN A 78 10.497 0.661 -11.376 1.00 0.00 O ATOM 1173 ND2 ASN A 78 12.139 0.854 -9.856 1.00 0.00 N ATOM 0 H ASN A 78 14.018 2.673 -12.135 1.00 0.00 H new ATOM 0 HA ASN A 78 11.919 2.882 -12.792 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.470 3.323 -9.823 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.149 3.196 -10.968 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.224 -0.158 -9.761 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.740 1.470 -9.309 1.00 0.00 H new ATOM 1180 N THR A 79 12.222 5.426 -13.378 1.00 0.00 N ATOM 1181 CA THR A 79 11.919 6.772 -13.882 1.00 0.00 C ATOM 1182 C THR A 79 11.614 6.697 -15.390 1.00 0.00 C ATOM 1183 O THR A 79 12.376 6.098 -16.158 1.00 0.00 O ATOM 1184 CB THR A 79 13.106 7.759 -13.596 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.367 7.822 -12.177 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.829 9.184 -14.118 1.00 0.00 C ATOM 0 H THR A 79 12.856 4.897 -13.977 1.00 0.00 H new ATOM 0 HA THR A 79 11.042 7.158 -13.362 1.00 0.00 H new ATOM 0 HB THR A 79 13.974 7.369 -14.127 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.110 8.439 -12.008 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.681 9.826 -13.894 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.672 9.152 -15.196 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.938 9.582 -13.633 1.00 0.00 H new ATOM 1194 N VAL A 80 10.494 7.316 -15.793 1.00 0.00 N ATOM 1195 CA VAL A 80 10.006 7.314 -17.181 1.00 0.00 C ATOM 1196 C VAL A 80 10.249 8.692 -17.812 1.00 0.00 C ATOM 1197 O VAL A 80 9.755 9.698 -17.314 1.00 0.00 O ATOM 1198 CB VAL A 80 8.474 6.965 -17.246 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.947 6.990 -18.701 1.00 0.00 C ATOM 1200 CG2 VAL A 80 8.185 5.600 -16.572 1.00 0.00 C ATOM 0 H VAL A 80 9.894 7.839 -15.156 1.00 0.00 H new ATOM 0 HA VAL A 80 10.552 6.550 -17.735 1.00 0.00 H new ATOM 0 HB VAL A 80 7.938 7.735 -16.691 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.885 6.744 -18.708 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.092 7.984 -19.123 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.492 6.259 -19.298 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.118 5.384 -16.631 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.743 4.816 -17.084 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.490 5.639 -15.526 1.00 0.00 H new ATOM 1210 N TYR A 81 11.021 8.720 -18.897 1.00 0.00 N ATOM 1211 CA TYR A 81 11.341 9.948 -19.636 1.00 0.00 C ATOM 1212 C TYR A 81 10.435 10.078 -20.873 1.00 0.00 C ATOM 1213 O TYR A 81 10.224 9.105 -21.598 1.00 0.00 O ATOM 1214 CB TYR A 81 12.838 9.934 -20.045 1.00 0.00 C ATOM 1215 CG TYR A 81 13.793 9.834 -18.841 1.00 0.00 C ATOM 1216 CD1 TYR A 81 14.292 8.599 -18.398 1.00 0.00 C ATOM 1217 CD2 TYR A 81 14.170 10.975 -18.130 1.00 0.00 C ATOM 1218 CE1 TYR A 81 15.127 8.517 -17.291 1.00 0.00 C ATOM 1219 CE2 TYR A 81 15.008 10.896 -17.033 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.482 9.670 -16.614 1.00 0.00 C ATOM 1221 OH TYR A 81 16.302 9.597 -15.502 1.00 0.00 O ATOM 0 H TYR A 81 11.448 7.884 -19.295 1.00 0.00 H new ATOM 0 HA TYR A 81 11.162 10.812 -18.996 1.00 0.00 H new ATOM 0 HB2 TYR A 81 13.018 9.093 -20.714 1.00 0.00 H new ATOM 0 HB3 TYR A 81 13.064 10.841 -20.606 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.022 7.697 -18.927 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.799 11.940 -18.444 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.497 7.558 -16.960 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.291 11.794 -16.504 1.00 0.00 H new ATOM 0 HH TYR A 81 16.453 10.498 -15.147 1.00 0.00 H new ATOM 1231 N LEU A 82 9.886 11.288 -21.080 1.00 0.00 N ATOM 1232 CA LEU A 82 9.113 11.651 -22.280 1.00 0.00 C ATOM 1233 C LEU A 82 9.890 12.738 -23.041 1.00 0.00 C ATOM 1234 O LEU A 82 9.859 13.913 -22.668 1.00 0.00 O ATOM 1235 CB LEU A 82 7.699 12.154 -21.861 1.00 0.00 C ATOM 1236 CG LEU A 82 6.791 12.775 -22.976 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.468 11.780 -24.109 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.500 13.376 -22.368 1.00 0.00 C ATOM 0 H LEU A 82 9.968 12.052 -20.409 1.00 0.00 H new ATOM 0 HA LEU A 82 8.978 10.786 -22.930 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.162 11.315 -21.418 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.827 12.900 -21.077 1.00 0.00 H new ATOM 0 HG LEU A 82 7.364 13.582 -23.433 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.836 12.267 -24.852 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.395 11.452 -24.580 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.945 10.917 -23.697 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.887 13.801 -23.163 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.940 12.593 -21.857 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.763 14.158 -21.656 1.00 0.00 H new ATOM 1250 N GLN A 83 10.626 12.329 -24.085 1.00 0.00 N ATOM 1251 CA GLN A 83 11.365 13.265 -24.939 1.00 0.00 C ATOM 1252 C GLN A 83 10.419 13.826 -26.014 1.00 0.00 C ATOM 1253 O GLN A 83 10.151 13.173 -27.024 1.00 0.00 O ATOM 1254 CB GLN A 83 12.596 12.567 -25.593 1.00 0.00 C ATOM 1255 CG GLN A 83 13.511 13.505 -26.422 1.00 0.00 C ATOM 1256 CD GLN A 83 14.029 14.715 -25.628 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.069 14.645 -24.981 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.315 15.837 -25.693 1.00 0.00 N ATOM 0 H GLN A 83 10.724 11.351 -24.357 1.00 0.00 H new ATOM 0 HA GLN A 83 11.740 14.086 -24.328 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.192 12.102 -24.808 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.240 11.765 -26.240 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.361 12.934 -26.794 1.00 0.00 H new ATOM 0 HG3 GLN A 83 12.960 13.861 -27.293 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.454 15.863 -26.240 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.629 16.671 -25.196 1.00 0.00 H new ATOM 1267 N MET A 84 9.908 15.035 -25.759 1.00 0.00 N ATOM 1268 CA MET A 84 9.075 15.782 -26.708 1.00 0.00 C ATOM 1269 C MET A 84 9.984 16.688 -27.550 1.00 0.00 C ATOM 1270 O MET A 84 10.561 17.637 -27.030 1.00 0.00 O ATOM 1271 CB MET A 84 8.021 16.627 -25.935 1.00 0.00 C ATOM 1272 CG MET A 84 7.014 15.804 -25.124 1.00 0.00 C ATOM 1273 SD MET A 84 5.932 16.823 -24.087 1.00 0.00 S ATOM 1274 CE MET A 84 5.029 17.799 -25.293 1.00 0.00 C ATOM 0 H MET A 84 10.062 15.528 -24.879 1.00 0.00 H new ATOM 0 HA MET A 84 8.542 15.094 -27.364 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.543 17.306 -25.260 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.475 17.244 -26.649 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.402 15.214 -25.807 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.555 15.100 -24.492 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.584 18.664 -24.801 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.712 18.136 -26.073 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.242 17.190 -25.738 1.00 0.00 H new ATOM 1284 N ASN A 85 10.163 16.346 -28.828 1.00 0.00 N ATOM 1285 CA ASN A 85 10.946 17.169 -29.773 1.00 0.00 C ATOM 1286 C ASN A 85 9.986 17.932 -30.682 1.00 0.00 C ATOM 1287 O ASN A 85 9.032 17.344 -31.208 1.00 0.00 O ATOM 1288 CB ASN A 85 11.911 16.290 -30.604 1.00 0.00 C ATOM 1289 CG ASN A 85 12.961 15.582 -29.744 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.379 16.094 -28.707 1.00 0.00 O ATOM 1291 ND2 ASN A 85 13.397 14.408 -30.168 1.00 0.00 N ATOM 0 H ASN A 85 9.775 15.498 -29.242 1.00 0.00 H new ATOM 0 HA ASN A 85 11.554 17.879 -29.213 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.335 15.545 -31.152 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.414 16.912 -31.345 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.100 13.901 -29.631 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.030 14.010 -31.033 1.00 0.00 H new ATOM 1298 N SER A 86 10.245 19.238 -30.840 1.00 0.00 N ATOM 1299 CA SER A 86 9.393 20.163 -31.600 1.00 0.00 C ATOM 1300 C SER A 86 8.003 20.222 -30.963 1.00 0.00 C ATOM 1301 O SER A 86 7.031 19.645 -31.479 1.00 0.00 O ATOM 1302 CB SER A 86 9.343 19.818 -33.115 1.00 0.00 C ATOM 1303 OG SER A 86 8.645 20.804 -33.855 1.00 0.00 O ATOM 0 H SER A 86 11.066 19.688 -30.436 1.00 0.00 H new ATOM 0 HA SER A 86 9.835 21.158 -31.550 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.358 19.725 -33.501 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.860 18.851 -33.252 1.00 0.00 H new ATOM 0 HG SER A 86 8.635 20.555 -34.803 1.00 0.00 H new ATOM 1309 N LEU A 87 7.953 20.842 -29.772 1.00 0.00 N ATOM 1310 CA LEU A 87 6.697 21.061 -29.047 1.00 0.00 C ATOM 1311 C LEU A 87 5.875 22.126 -29.768 1.00 0.00 C ATOM 1312 O LEU A 87 6.414 23.154 -30.209 1.00 0.00 O ATOM 1313 CB LEU A 87 6.920 21.483 -27.569 1.00 0.00 C ATOM 1314 CG LEU A 87 7.637 20.445 -26.648 1.00 0.00 C ATOM 1315 CD1 LEU A 87 9.157 20.488 -26.813 1.00 0.00 C ATOM 1316 CD2 LEU A 87 7.230 20.624 -25.168 1.00 0.00 C ATOM 0 H LEU A 87 8.777 21.202 -29.291 1.00 0.00 H new ATOM 0 HA LEU A 87 6.163 20.111 -29.030 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.502 22.405 -27.562 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.949 21.715 -27.130 1.00 0.00 H new ATOM 0 HG LEU A 87 7.305 19.457 -26.966 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.615 19.750 -26.154 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.417 20.263 -27.847 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.523 21.482 -26.555 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.748 19.885 -24.556 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.501 21.626 -24.835 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.153 20.488 -25.068 1.00 0.00 H new ATOM 1328 N LYS A 88 4.583 21.852 -29.899 1.00 0.00 N ATOM 1329 CA LYS A 88 3.622 22.784 -30.478 1.00 0.00 C ATOM 1330 C LYS A 88 3.254 23.822 -29.397 1.00 0.00 C ATOM 1331 O LYS A 88 3.324 23.493 -28.211 1.00 0.00 O ATOM 1332 CB LYS A 88 2.361 22.003 -30.967 1.00 0.00 C ATOM 1333 CG LYS A 88 2.658 20.714 -31.780 1.00 0.00 C ATOM 1334 CD LYS A 88 3.487 20.942 -33.077 1.00 0.00 C ATOM 1335 CE LYS A 88 2.671 21.526 -34.254 1.00 0.00 C ATOM 1336 NZ LYS A 88 2.194 22.912 -34.010 1.00 0.00 N ATOM 0 H LYS A 88 4.168 20.968 -29.604 1.00 0.00 H new ATOM 0 HA LYS A 88 4.048 23.297 -31.341 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.759 21.735 -30.098 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.756 22.670 -31.581 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.194 20.013 -31.141 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.712 20.243 -32.047 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.314 21.616 -32.853 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.924 19.993 -33.388 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.286 21.514 -35.154 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.812 20.883 -34.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.189 23.440 -34.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.231 22.884 -33.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.828 23.383 -33.334 1.00 0.00 H new ATOM 1350 N PRO A 89 2.843 25.079 -29.765 1.00 0.00 N ATOM 1351 CA PRO A 89 2.378 26.085 -28.761 1.00 0.00 C ATOM 1352 C PRO A 89 1.103 25.592 -28.015 1.00 0.00 C ATOM 1353 O PRO A 89 0.774 26.051 -26.916 1.00 0.00 O ATOM 1354 CB PRO A 89 2.087 27.335 -29.629 1.00 0.00 C ATOM 1355 CG PRO A 89 1.859 26.803 -31.012 1.00 0.00 C ATOM 1356 CD PRO A 89 2.790 25.622 -31.144 1.00 0.00 C ATOM 0 HA PRO A 89 3.106 26.276 -27.973 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.212 27.874 -29.264 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.923 28.034 -29.608 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.821 26.503 -31.151 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.076 27.560 -31.765 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.410 24.886 -31.853 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.776 25.924 -31.497 1.00 0.00 H new ATOM 1364 N GLU A 90 0.440 24.620 -28.664 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.764 23.904 -28.196 1.00 0.00 C ATOM 1366 C GLU A 90 -0.474 23.055 -26.933 1.00 0.00 C ATOM 1367 O GLU A 90 -1.389 22.709 -26.177 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.219 22.996 -29.371 1.00 0.00 C ATOM 1369 CG GLU A 90 -1.372 23.757 -30.715 1.00 0.00 C ATOM 1370 CD GLU A 90 -1.457 22.842 -31.946 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -2.487 22.162 -32.124 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -0.495 22.808 -32.754 1.00 0.00 O ATOM 0 H GLU A 90 0.745 24.293 -29.581 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.541 24.614 -27.913 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.496 22.190 -29.499 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.171 22.532 -29.114 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.270 24.374 -30.671 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.526 24.434 -30.836 1.00 0.00 H new ATOM 1379 N ASP A 91 0.821 22.743 -26.713 1.00 0.00 N ATOM 1380 CA ASP A 91 1.300 22.004 -25.522 1.00 0.00 C ATOM 1381 C ASP A 91 1.544 22.962 -24.321 1.00 0.00 C ATOM 1382 O ASP A 91 2.436 22.736 -23.494 1.00 0.00 O ATOM 1383 CB ASP A 91 2.584 21.187 -25.867 1.00 0.00 C ATOM 1384 CG ASP A 91 2.367 20.130 -26.968 1.00 0.00 C ATOM 1385 OD1 ASP A 91 3.108 20.129 -27.978 1.00 0.00 O ATOM 1386 OD2 ASP A 91 1.448 19.289 -26.827 1.00 0.00 O ATOM 0 H ASP A 91 1.568 22.997 -27.359 1.00 0.00 H new ATOM 0 HA ASP A 91 0.521 21.303 -25.222 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.367 21.875 -26.185 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.942 20.691 -24.965 1.00 0.00 H new ATOM 1391 N THR A 92 0.754 24.048 -24.235 1.00 0.00 N ATOM 1392 CA THR A 92 0.589 24.812 -22.989 1.00 0.00 C ATOM 1393 C THR A 92 -0.468 24.077 -22.130 1.00 0.00 C ATOM 1394 O THR A 92 -1.680 24.291 -22.288 1.00 0.00 O ATOM 1395 CB THR A 92 0.167 26.293 -23.282 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.205 26.934 -24.050 1.00 0.00 O ATOM 1397 CG2 THR A 92 -0.102 27.108 -22.002 1.00 0.00 C ATOM 0 H THR A 92 0.218 24.416 -25.020 1.00 0.00 H new ATOM 0 HA THR A 92 1.535 24.868 -22.450 1.00 0.00 H new ATOM 0 HB THR A 92 -0.769 26.260 -23.839 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.117 26.682 -24.993 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.390 28.124 -22.271 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.908 26.641 -21.436 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.801 27.136 -21.392 1.00 0.00 H new ATOM 1405 N ALA A 93 0.015 23.179 -21.255 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.842 22.223 -20.530 1.00 0.00 C ATOM 1407 C ALA A 93 -0.092 21.619 -19.325 1.00 0.00 C ATOM 1408 O ALA A 93 1.030 22.015 -19.005 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.313 21.118 -21.506 1.00 0.00 C ATOM 0 H ALA A 93 1.006 23.095 -21.030 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.715 22.746 -20.140 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.947 20.409 -20.974 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.878 21.569 -22.321 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.446 20.596 -21.911 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.741 20.665 -18.650 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.131 19.874 -17.580 1.00 0.00 C ATOM 1417 C VAL A 94 -0.034 18.405 -18.041 1.00 0.00 C ATOM 1418 O VAL A 94 -1.043 17.713 -18.204 1.00 0.00 O ATOM 1419 CB VAL A 94 -0.923 20.033 -16.216 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.442 19.761 -16.360 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.293 19.173 -15.091 1.00 0.00 C ATOM 0 H VAL A 94 -1.714 20.419 -18.834 1.00 0.00 H new ATOM 0 HA VAL A 94 0.876 20.241 -17.380 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.830 21.080 -15.929 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.927 19.886 -15.392 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.871 20.463 -17.075 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.597 18.742 -16.715 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.861 19.306 -14.170 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.313 18.123 -15.381 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.739 19.485 -14.929 1.00 0.00 H new ATOM 1431 N TYR A 95 1.203 17.956 -18.307 1.00 0.00 N ATOM 1432 CA TYR A 95 1.486 16.566 -18.684 1.00 0.00 C ATOM 1433 C TYR A 95 1.636 15.724 -17.416 1.00 0.00 C ATOM 1434 O TYR A 95 2.593 15.884 -16.667 1.00 0.00 O ATOM 1435 CB TYR A 95 2.767 16.479 -19.574 1.00 0.00 C ATOM 1436 CG TYR A 95 2.491 16.616 -21.084 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.532 15.493 -21.924 1.00 0.00 C ATOM 1438 CD2 TYR A 95 2.176 17.848 -21.666 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.273 15.598 -23.276 1.00 0.00 C ATOM 1440 CE2 TYR A 95 1.916 17.954 -23.024 1.00 0.00 C ATOM 1441 CZ TYR A 95 1.968 16.826 -23.822 1.00 0.00 C ATOM 1442 OH TYR A 95 1.702 16.917 -25.171 1.00 0.00 O ATOM 0 H TYR A 95 2.033 18.547 -18.266 1.00 0.00 H new ATOM 0 HA TYR A 95 0.657 16.176 -19.274 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.462 17.261 -19.270 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.261 15.525 -19.390 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.771 14.527 -21.505 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.135 18.732 -21.047 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.309 14.720 -23.904 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.674 18.914 -23.457 1.00 0.00 H new ATOM 0 HH TYR A 95 1.661 17.860 -25.433 1.00 0.00 H new ATOM 1452 N LEU A 96 0.657 14.861 -17.164 1.00 0.00 N ATOM 1453 CA LEU A 96 0.669 13.946 -16.021 1.00 0.00 C ATOM 1454 C LEU A 96 0.900 12.518 -16.520 1.00 0.00 C ATOM 1455 O LEU A 96 0.520 12.173 -17.639 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.661 14.108 -15.211 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.019 13.879 -15.987 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.455 12.394 -16.011 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.153 14.782 -15.441 1.00 0.00 C ATOM 0 H LEU A 96 -0.174 14.774 -17.749 1.00 0.00 H new ATOM 0 HA LEU A 96 1.486 14.183 -15.340 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.631 13.412 -14.372 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.679 15.114 -14.791 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.826 14.168 -17.020 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.393 12.299 -16.557 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.687 11.797 -16.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.592 12.039 -14.990 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.069 14.594 -16.001 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.320 14.559 -14.387 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.869 15.829 -15.550 1.00 0.00 H new ATOM 1471 N CYS A 97 1.577 11.711 -15.708 1.00 0.00 N ATOM 1472 CA CYS A 97 1.720 10.280 -15.956 1.00 0.00 C ATOM 1473 C CYS A 97 0.693 9.539 -15.094 1.00 0.00 C ATOM 1474 O CYS A 97 0.213 10.077 -14.086 1.00 0.00 O ATOM 1475 CB CYS A 97 3.155 9.807 -15.648 1.00 0.00 C ATOM 1476 SG CYS A 97 3.486 8.102 -16.155 1.00 0.00 S ATOM 0 H CYS A 97 2.042 12.031 -14.859 1.00 0.00 H new ATOM 0 HA CYS A 97 1.537 10.065 -17.009 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.861 10.469 -16.149 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.336 9.900 -14.577 1.00 0.00 H new ATOM 0 HG CYS A 97 4.680 8.025 -16.664 1.00 0.00 H new ATOM 1482 N ALA A 98 0.344 8.318 -15.494 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.658 7.505 -14.806 1.00 0.00 C ATOM 1484 C ALA A 98 -0.222 6.042 -14.836 1.00 0.00 C ATOM 1485 O ALA A 98 0.056 5.514 -15.901 1.00 0.00 O ATOM 1486 CB ALA A 98 -2.026 7.695 -15.466 1.00 0.00 C ATOM 0 H ALA A 98 0.751 7.861 -16.310 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.745 7.819 -13.766 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.767 7.086 -14.948 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.315 8.745 -15.409 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.971 7.389 -16.511 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.198 5.382 -13.675 1.00 0.00 N ATOM 1493 CA ALA A 99 0.297 4.007 -13.538 1.00 0.00 C ATOM 1494 C ALA A 99 -0.866 3.047 -13.257 1.00 0.00 C ATOM 1495 O ALA A 99 -1.797 3.387 -12.511 1.00 0.00 O ATOM 1496 CB ALA A 99 1.345 3.925 -12.414 1.00 0.00 C ATOM 0 H ALA A 99 -0.523 5.788 -12.798 1.00 0.00 H new ATOM 0 HA ALA A 99 0.770 3.713 -14.475 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.703 2.899 -12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.182 4.582 -12.649 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.893 4.235 -11.472 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.787 1.852 -13.860 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.824 0.838 -13.741 1.00 0.00 C ATOM 1504 C GLY A 100 -1.332 -0.561 -14.074 1.00 0.00 C ATOM 1505 O GLY A 100 -0.124 -0.842 -14.010 1.00 0.00 O ATOM 0 H GLY A 100 0.001 1.569 -14.442 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.216 0.846 -12.724 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.651 1.093 -14.404 1.00 0.00 H new ATOM 1509 N VAL A 101 -2.286 -1.448 -14.415 1.00 0.00 N ATOM 1510 CA VAL A 101 -2.028 -2.871 -14.724 1.00 0.00 C ATOM 1511 C VAL A 101 -2.461 -3.205 -16.173 1.00 0.00 C ATOM 1512 O VAL A 101 -2.749 -2.304 -16.970 1.00 0.00 O ATOM 1513 CB VAL A 101 -2.772 -3.809 -13.686 1.00 0.00 C ATOM 1514 CG1 VAL A 101 -2.276 -3.549 -12.240 1.00 0.00 C ATOM 1515 CG2 VAL A 101 -4.314 -3.657 -13.785 1.00 0.00 C ATOM 0 H VAL A 101 -3.272 -1.195 -14.485 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.956 -3.050 -14.641 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.527 -4.840 -13.943 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.804 -4.207 -11.550 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.206 -3.746 -12.182 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.469 -2.511 -11.970 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.792 -4.315 -13.059 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.592 -2.624 -13.577 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -4.642 -3.926 -14.789 1.00 0.00 H new ATOM 1525 N TRP A 102 -2.465 -4.506 -16.513 1.00 0.00 N ATOM 1526 CA TRP A 102 -2.939 -5.010 -17.817 1.00 0.00 C ATOM 1527 C TRP A 102 -4.394 -5.489 -17.675 1.00 0.00 C ATOM 1528 O TRP A 102 -4.678 -6.331 -16.814 1.00 0.00 O ATOM 1529 CB TRP A 102 -2.046 -6.190 -18.286 1.00 0.00 C ATOM 1530 CG TRP A 102 -0.563 -5.916 -18.193 1.00 0.00 C ATOM 1531 CD1 TRP A 102 0.192 -5.170 -19.048 1.00 0.00 C ATOM 1532 CD2 TRP A 102 0.335 -6.397 -17.181 1.00 0.00 C ATOM 1533 NE1 TRP A 102 1.495 -5.155 -18.630 1.00 0.00 N ATOM 1534 CE2 TRP A 102 1.607 -5.900 -17.489 1.00 0.00 C ATOM 1535 CE3 TRP A 102 0.177 -7.197 -16.044 1.00 0.00 C ATOM 1536 CZ2 TRP A 102 2.726 -6.176 -16.710 1.00 0.00 C ATOM 1537 CZ3 TRP A 102 1.288 -7.475 -15.268 1.00 0.00 C ATOM 1538 CH2 TRP A 102 2.549 -6.961 -15.602 1.00 0.00 C ATOM 0 H TRP A 102 -2.138 -5.243 -15.888 1.00 0.00 H new ATOM 0 HA TRP A 102 -2.885 -4.210 -18.555 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -2.280 -7.070 -17.686 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -2.296 -6.432 -19.319 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.183 -4.665 -19.926 1.00 0.00 H new ATOM 0 HE1 TRP A 102 2.260 -4.666 -19.095 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -0.793 -7.590 -15.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 3.699 -5.785 -16.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 1.182 -8.097 -14.392 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.397 -7.189 -14.973 1.00 0.00 H new ATOM 1549 N ARG A 103 -5.309 -4.940 -18.495 1.00 0.00 N ATOM 1550 CA ARG A 103 -6.718 -5.397 -18.537 1.00 0.00 C ATOM 1551 C ARG A 103 -6.856 -6.707 -19.346 1.00 0.00 C ATOM 1552 O ARG A 103 -5.967 -7.064 -20.126 1.00 0.00 O ATOM 1553 CB ARG A 103 -7.640 -4.287 -19.122 1.00 0.00 C ATOM 1554 CG ARG A 103 -7.836 -3.065 -18.192 1.00 0.00 C ATOM 1555 CD ARG A 103 -8.491 -3.448 -16.846 1.00 0.00 C ATOM 1556 NE ARG A 103 -8.651 -2.281 -15.956 1.00 0.00 N ATOM 1557 CZ ARG A 103 -8.350 -2.239 -14.643 1.00 0.00 C ATOM 1558 NH1 ARG A 103 -7.836 -3.289 -14.016 1.00 0.00 N ATOM 1559 NH2 ARG A 103 -8.554 -1.126 -13.969 1.00 0.00 N ATOM 0 H ARG A 103 -5.101 -4.178 -19.140 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.034 -5.601 -17.514 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.221 -3.945 -20.068 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.615 -4.721 -19.343 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.870 -2.597 -18.003 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -8.456 -2.324 -18.697 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -9.466 -3.898 -17.033 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.882 -4.203 -16.348 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.024 -1.428 -16.373 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.660 -4.153 -14.528 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.617 -3.232 -13.021 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.936 -0.307 -14.441 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.330 -1.083 -12.975 1.00 0.00 H new ATOM 1573 N SER A 104 -7.999 -7.399 -19.156 1.00 0.00 N ATOM 1574 CA SER A 104 -8.321 -8.667 -19.855 1.00 0.00 C ATOM 1575 C SER A 104 -8.655 -8.409 -21.341 1.00 0.00 C ATOM 1576 O SER A 104 -8.559 -9.313 -22.178 1.00 0.00 O ATOM 1577 CB SER A 104 -9.508 -9.358 -19.147 1.00 0.00 C ATOM 1578 OG SER A 104 -9.235 -9.567 -17.768 1.00 0.00 O ATOM 0 H SER A 104 -8.729 -7.095 -18.512 1.00 0.00 H new ATOM 0 HA SER A 104 -7.449 -9.320 -19.818 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.404 -8.747 -19.254 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.715 -10.314 -19.628 1.00 0.00 H new ATOM 0 HG SER A 104 -10.003 -10.004 -17.345 1.00 0.00 H new ATOM 1584 N SER A 105 -9.062 -7.166 -21.639 1.00 0.00 N ATOM 1585 CA SER A 105 -9.247 -6.671 -23.014 1.00 0.00 C ATOM 1586 C SER A 105 -7.873 -6.420 -23.691 1.00 0.00 C ATOM 1587 O SER A 105 -7.770 -6.412 -24.924 1.00 0.00 O ATOM 1588 CB SER A 105 -10.081 -5.360 -22.974 1.00 0.00 C ATOM 1589 OG SER A 105 -10.350 -4.851 -24.275 1.00 0.00 O ATOM 0 H SER A 105 -9.274 -6.468 -20.926 1.00 0.00 H new ATOM 0 HA SER A 105 -9.778 -7.421 -23.600 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.023 -5.547 -22.458 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.544 -4.608 -22.396 1.00 0.00 H new ATOM 0 HG SER A 105 -10.877 -4.028 -24.202 1.00 0.00 H new ATOM 1595 N GLY A 106 -6.829 -6.225 -22.856 1.00 0.00 N ATOM 1596 CA GLY A 106 -5.489 -5.849 -23.324 1.00 0.00 C ATOM 1597 C GLY A 106 -5.292 -4.335 -23.361 1.00 0.00 C ATOM 1598 O GLY A 106 -4.195 -3.846 -23.657 1.00 0.00 O ATOM 0 H GLY A 106 -6.897 -6.325 -21.843 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.740 -6.295 -22.670 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -5.326 -6.259 -24.321 1.00 0.00 H new ATOM 1602 N TRP A 107 -6.369 -3.598 -23.035 1.00 0.00 N ATOM 1603 CA TRP A 107 -6.408 -2.129 -23.082 1.00 0.00 C ATOM 1604 C TRP A 107 -5.717 -1.526 -21.837 1.00 0.00 C ATOM 1605 O TRP A 107 -5.678 -2.162 -20.773 1.00 0.00 O ATOM 1606 CB TRP A 107 -7.892 -1.671 -23.196 1.00 0.00 C ATOM 1607 CG TRP A 107 -8.085 -0.184 -23.399 1.00 0.00 C ATOM 1608 CD1 TRP A 107 -7.555 0.582 -24.403 1.00 0.00 C ATOM 1609 CD2 TRP A 107 -8.874 0.703 -22.594 1.00 0.00 C ATOM 1610 NE1 TRP A 107 -7.957 1.884 -24.260 1.00 0.00 N ATOM 1611 CE2 TRP A 107 -8.763 1.985 -23.158 1.00 0.00 C ATOM 1612 CE3 TRP A 107 -9.645 0.536 -21.438 1.00 0.00 C ATOM 1613 CZ2 TRP A 107 -9.409 3.094 -22.618 1.00 0.00 C ATOM 1614 CZ3 TRP A 107 -10.293 1.636 -20.905 1.00 0.00 C ATOM 1615 CH2 TRP A 107 -10.164 2.902 -21.491 1.00 0.00 C ATOM 0 H TRP A 107 -7.248 -4.014 -22.727 1.00 0.00 H new ATOM 0 HA TRP A 107 -5.861 -1.770 -23.954 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.358 -2.200 -24.027 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.420 -1.971 -22.291 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -6.915 0.214 -25.191 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.697 2.655 -24.876 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.733 -0.434 -20.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -9.318 4.070 -23.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -10.907 1.517 -20.025 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.671 3.745 -21.045 1.00 0.00 H new ATOM 1626 N ASP A 108 -5.165 -0.305 -22.000 1.00 0.00 N ATOM 1627 CA ASP A 108 -4.439 0.422 -20.931 1.00 0.00 C ATOM 1628 C ASP A 108 -5.433 1.026 -19.922 1.00 0.00 C ATOM 1629 O ASP A 108 -6.561 1.385 -20.287 1.00 0.00 O ATOM 1630 CB ASP A 108 -3.549 1.537 -21.551 1.00 0.00 C ATOM 1631 CG ASP A 108 -2.609 2.216 -20.529 1.00 0.00 C ATOM 1632 OD1 ASP A 108 -1.591 1.585 -20.150 1.00 0.00 O ATOM 1633 OD2 ASP A 108 -2.887 3.363 -20.106 1.00 0.00 O ATOM 0 H ASP A 108 -5.209 0.209 -22.880 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.798 -0.283 -20.402 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.950 1.108 -22.354 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.191 2.294 -22.001 1.00 0.00 H new ATOM 1638 N THR A 109 -5.006 1.135 -18.656 1.00 0.00 N ATOM 1639 CA THR A 109 -5.852 1.630 -17.561 1.00 0.00 C ATOM 1640 C THR A 109 -5.041 2.570 -16.628 1.00 0.00 C ATOM 1641 O THR A 109 -4.075 2.133 -15.985 1.00 0.00 O ATOM 1642 CB THR A 109 -6.497 0.438 -16.759 1.00 0.00 C ATOM 1643 OG1 THR A 109 -7.271 0.928 -15.648 1.00 0.00 O ATOM 1644 CG2 THR A 109 -5.459 -0.590 -16.254 1.00 0.00 C ATOM 0 H THR A 109 -4.063 0.882 -18.362 1.00 0.00 H new ATOM 0 HA THR A 109 -6.668 2.209 -17.994 1.00 0.00 H new ATOM 0 HB THR A 109 -7.148 -0.079 -17.464 1.00 0.00 H new ATOM 0 HG1 THR A 109 -6.883 0.602 -14.810 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.969 -1.385 -15.710 1.00 0.00 H new ATOM 0 HG22 THR A 109 -4.926 -1.016 -17.104 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.749 -0.095 -15.592 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.391 3.902 -16.580 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.789 4.860 -15.624 1.00 0.00 C ATOM 1654 C PRO A 110 -5.376 4.694 -14.196 1.00 0.00 C ATOM 1655 O PRO A 110 -6.127 5.557 -13.719 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.148 6.234 -16.260 1.00 0.00 C ATOM 1657 CG PRO A 110 -6.454 5.995 -16.953 1.00 0.00 C ATOM 1658 CD PRO A 110 -6.371 4.578 -17.483 1.00 0.00 C ATOM 0 HA PRO A 110 -3.717 4.723 -15.482 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.237 7.012 -15.501 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.380 6.560 -16.961 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.291 6.109 -16.265 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.607 6.709 -17.762 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.343 4.085 -17.455 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.034 4.560 -18.520 1.00 0.00 H new ATOM 1666 N ASP A 111 -5.020 3.566 -13.528 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.544 3.212 -12.179 1.00 0.00 C ATOM 1668 C ASP A 111 -5.242 4.308 -11.143 1.00 0.00 C ATOM 1669 O ASP A 111 -6.074 4.604 -10.275 1.00 0.00 O ATOM 1670 CB ASP A 111 -4.974 1.844 -11.694 1.00 0.00 C ATOM 1671 CG ASP A 111 -5.531 0.629 -12.462 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -4.752 -0.262 -12.867 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -6.760 0.549 -12.643 1.00 0.00 O ATOM 0 H ASP A 111 -4.366 2.880 -13.905 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.627 3.126 -12.273 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.889 1.858 -11.793 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.196 1.724 -10.634 1.00 0.00 H new ATOM 1678 N TYR A 112 -4.042 4.899 -11.241 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.611 6.008 -10.373 1.00 0.00 C ATOM 1680 C TYR A 112 -2.911 7.061 -11.240 1.00 0.00 C ATOM 1681 O TYR A 112 -1.956 6.741 -11.930 1.00 0.00 O ATOM 1682 CB TYR A 112 -2.630 5.504 -9.273 1.00 0.00 C ATOM 1683 CG TYR A 112 -3.168 4.345 -8.416 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -2.874 3.011 -8.728 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -3.977 4.582 -7.304 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -3.366 1.966 -7.963 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -4.465 3.538 -6.541 1.00 0.00 C ATOM 1688 CZ TYR A 112 -4.161 2.237 -6.873 1.00 0.00 C ATOM 1689 OH TYR A 112 -4.656 1.200 -6.102 1.00 0.00 O ATOM 0 H TYR A 112 -3.340 4.621 -11.927 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.484 6.436 -9.880 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.703 5.186 -9.750 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -2.381 6.338 -8.617 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.251 2.793 -9.583 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.226 5.598 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.127 0.945 -8.221 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -5.087 3.743 -5.682 1.00 0.00 H new ATOM 0 HH TYR A 112 -5.197 1.565 -5.371 1.00 0.00 H new ATOM 1699 N TRP A 113 -3.389 8.306 -11.199 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.745 9.440 -11.882 1.00 0.00 C ATOM 1701 C TRP A 113 -1.682 10.059 -10.965 1.00 0.00 C ATOM 1702 O TRP A 113 -1.683 9.822 -9.746 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.805 10.500 -12.281 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.861 9.977 -13.236 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.809 9.969 -14.602 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -6.120 9.381 -12.887 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -5.950 9.418 -15.117 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.771 9.050 -14.086 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.761 9.103 -11.675 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -8.027 8.455 -14.111 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -8.005 8.507 -11.698 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -8.627 8.192 -12.909 1.00 0.00 C ATOM 0 H TRP A 113 -4.236 8.562 -10.691 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.261 9.082 -12.791 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.294 10.869 -11.379 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.301 11.350 -12.741 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.985 10.344 -15.190 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.156 9.300 -16.109 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.289 9.351 -10.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.512 8.209 -15.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -8.505 8.281 -10.768 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.603 7.731 -12.896 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.784 10.851 -11.561 1.00 0.00 N ATOM 1724 CA GLY A 114 0.289 11.517 -10.829 1.00 0.00 C ATOM 1725 C GLY A 114 -0.063 12.941 -10.430 1.00 0.00 C ATOM 1726 O GLY A 114 -1.238 13.345 -10.474 1.00 0.00 O ATOM 0 H GLY A 114 -0.784 11.045 -12.562 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.523 10.941 -9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.189 11.529 -11.444 1.00 0.00 H new ATOM 1730 N GLN A 115 0.968 13.704 -10.042 1.00 0.00 N ATOM 1731 CA GLN A 115 0.821 15.101 -9.592 1.00 0.00 C ATOM 1732 C GLN A 115 0.684 16.048 -10.798 1.00 0.00 C ATOM 1733 O GLN A 115 -0.083 17.022 -10.756 1.00 0.00 O ATOM 1734 CB GLN A 115 2.045 15.493 -8.725 1.00 0.00 C ATOM 1735 CG GLN A 115 2.194 14.654 -7.442 1.00 0.00 C ATOM 1736 CD GLN A 115 3.477 14.953 -6.669 1.00 0.00 C ATOM 1737 OE1 GLN A 115 3.514 15.817 -5.793 1.00 0.00 O ATOM 1738 NE2 GLN A 115 4.546 14.246 -6.995 1.00 0.00 N ATOM 0 H GLN A 115 1.932 13.371 -10.030 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.085 15.191 -8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.950 15.389 -9.323 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.963 16.545 -8.452 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.337 14.838 -6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.174 13.596 -7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 115 4.485 13.536 -7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.432 14.410 -6.516 1.00 0.00 H new ATOM 1747 N GLY A 116 1.437 15.734 -11.864 1.00 0.00 N ATOM 1748 CA GLY A 116 1.443 16.513 -13.100 1.00 0.00 C ATOM 1749 C GLY A 116 2.597 17.505 -13.155 1.00 0.00 C ATOM 1750 O GLY A 116 2.913 18.158 -12.148 1.00 0.00 O ATOM 0 H GLY A 116 2.060 14.927 -11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.508 15.837 -13.952 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.500 17.052 -13.192 1.00 0.00 H new ATOM 1754 N THR A 117 3.237 17.615 -14.333 1.00 0.00 N ATOM 1755 CA THR A 117 4.269 18.623 -14.594 1.00 0.00 C ATOM 1756 C THR A 117 3.709 19.699 -15.551 1.00 0.00 C ATOM 1757 O THR A 117 3.279 19.400 -16.677 1.00 0.00 O ATOM 1758 CB THR A 117 5.599 17.974 -15.134 1.00 0.00 C ATOM 1759 OG1 THR A 117 6.595 18.975 -15.336 1.00 0.00 O ATOM 1760 CG2 THR A 117 5.413 17.161 -16.427 1.00 0.00 C ATOM 0 H THR A 117 3.050 17.005 -15.129 1.00 0.00 H new ATOM 0 HA THR A 117 4.535 19.106 -13.654 1.00 0.00 H new ATOM 0 HB THR A 117 5.920 17.270 -14.366 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.980 18.878 -16.232 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.372 16.746 -16.737 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.707 16.350 -16.248 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.028 17.811 -17.213 1.00 0.00 H new ATOM 1768 N GLN A 118 3.667 20.949 -15.057 1.00 0.00 N ATOM 1769 CA GLN A 118 3.120 22.100 -15.790 1.00 0.00 C ATOM 1770 C GLN A 118 4.138 22.617 -16.813 1.00 0.00 C ATOM 1771 O GLN A 118 5.161 23.205 -16.442 1.00 0.00 O ATOM 1772 CB GLN A 118 2.707 23.224 -14.794 1.00 0.00 C ATOM 1773 CG GLN A 118 1.398 22.954 -14.016 1.00 0.00 C ATOM 1774 CD GLN A 118 0.093 23.314 -14.778 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -0.907 23.653 -14.151 1.00 0.00 O ATOM 1776 NE2 GLN A 118 0.083 23.278 -16.119 1.00 0.00 N ATOM 0 H GLN A 118 4.016 21.189 -14.129 1.00 0.00 H new ATOM 0 HA GLN A 118 2.230 21.782 -16.333 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.515 23.370 -14.077 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.599 24.157 -15.346 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.364 21.898 -13.748 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.424 23.519 -13.084 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.920 22.995 -16.628 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.762 23.534 -16.630 1.00 0.00 H new ATOM 1785 N VAL A 119 3.856 22.358 -18.098 1.00 0.00 N ATOM 1786 CA VAL A 119 4.662 22.841 -19.229 1.00 0.00 C ATOM 1787 C VAL A 119 3.904 23.965 -19.957 1.00 0.00 C ATOM 1788 O VAL A 119 2.669 23.949 -20.039 1.00 0.00 O ATOM 1789 CB VAL A 119 5.020 21.668 -20.229 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.843 20.569 -19.508 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.748 21.069 -20.901 1.00 0.00 C ATOM 0 H VAL A 119 3.052 21.800 -18.385 1.00 0.00 H new ATOM 0 HA VAL A 119 5.602 23.233 -18.841 1.00 0.00 H new ATOM 0 HB VAL A 119 5.633 22.089 -21.026 1.00 0.00 H new ATOM 0 HG11 VAL A 119 6.080 19.771 -20.212 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.768 21.000 -19.124 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.261 20.162 -18.681 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.038 20.267 -21.580 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.084 20.672 -20.133 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.231 21.848 -21.461 1.00 0.00 H new ATOM 1801 N THR A 120 4.637 24.964 -20.442 1.00 0.00 N ATOM 1802 CA THR A 120 4.082 26.019 -21.295 1.00 0.00 C ATOM 1803 C THR A 120 5.013 26.200 -22.484 1.00 0.00 C ATOM 1804 O THR A 120 6.207 26.444 -22.308 1.00 0.00 O ATOM 1805 CB THR A 120 3.912 27.371 -20.520 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.095 27.171 -19.357 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.275 28.478 -21.396 1.00 0.00 C ATOM 0 H THR A 120 5.635 25.068 -20.256 1.00 0.00 H new ATOM 0 HA THR A 120 3.087 25.724 -21.627 1.00 0.00 H new ATOM 0 HB THR A 120 4.911 27.700 -20.234 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.995 28.020 -18.878 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.179 29.394 -20.812 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.908 28.665 -22.263 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.289 28.155 -21.730 1.00 0.00 H new ATOM 1815 N VAL A 121 4.491 26.012 -23.690 1.00 0.00 N ATOM 1816 CA VAL A 121 5.263 26.222 -24.913 1.00 0.00 C ATOM 1817 C VAL A 121 4.895 27.584 -25.520 1.00 0.00 C ATOM 1818 O VAL A 121 3.795 27.738 -26.061 1.00 0.00 O ATOM 1819 CB VAL A 121 5.010 25.067 -25.940 1.00 0.00 C ATOM 1820 CG1 VAL A 121 5.944 25.190 -27.169 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.160 23.689 -25.252 1.00 0.00 C ATOM 0 H VAL A 121 3.529 25.712 -23.850 1.00 0.00 H new ATOM 0 HA VAL A 121 6.325 26.216 -24.668 1.00 0.00 H new ATOM 0 HB VAL A 121 3.986 25.154 -26.304 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.743 24.373 -27.862 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.765 26.142 -27.668 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.983 25.141 -26.843 1.00 0.00 H new ATOM 0 HG21 VAL A 121 4.981 22.898 -25.980 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.168 23.591 -24.850 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.436 23.607 -24.441 1.00 0.00 H new ATOM 1831 N SER A 122 5.799 28.588 -25.364 1.00 0.00 N ATOM 1832 CA SER A 122 5.664 29.900 -26.030 1.00 0.00 C ATOM 1833 C SER A 122 5.485 29.766 -27.562 1.00 0.00 C ATOM 1834 O SER A 122 6.138 28.936 -28.203 1.00 0.00 O ATOM 1835 CB SER A 122 6.897 30.770 -25.733 1.00 0.00 C ATOM 1836 OG SER A 122 6.954 31.153 -24.381 1.00 0.00 O ATOM 0 H SER A 122 6.631 28.507 -24.779 1.00 0.00 H new ATOM 0 HA SER A 122 4.766 30.372 -25.631 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.801 30.219 -25.993 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.874 31.660 -26.362 1.00 0.00 H new ATOM 0 HG SER A 122 7.098 32.121 -24.321 1.00 0.00 H new ATOM 1842 N SER A 123 4.610 30.611 -28.133 1.00 0.00 N ATOM 1843 CA SER A 123 4.320 30.641 -29.579 1.00 0.00 C ATOM 1844 C SER A 123 5.386 31.487 -30.323 1.00 0.00 C ATOM 1845 O SER A 123 5.063 32.471 -30.990 1.00 0.00 O ATOM 1846 CB SER A 123 2.892 31.202 -29.792 1.00 0.00 C ATOM 1847 OG SER A 123 1.928 30.487 -29.026 1.00 0.00 O ATOM 0 H SER A 123 4.079 31.299 -27.600 1.00 0.00 H new ATOM 0 HA SER A 123 4.363 29.633 -29.991 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.869 32.256 -29.514 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.632 31.145 -30.849 1.00 0.00 H new ATOM 0 HG SER A 123 1.038 30.867 -29.182 1.00 0.00 H new ATOM 1853 N LEU A 124 6.657 31.046 -30.194 1.00 0.00 N ATOM 1854 CA LEU A 124 7.868 31.769 -30.660 1.00 0.00 C ATOM 1855 C LEU A 124 8.158 33.050 -29.832 1.00 0.00 C ATOM 1856 O LEU A 124 8.866 33.952 -30.303 1.00 0.00 O ATOM 1857 CB LEU A 124 7.857 32.068 -32.205 1.00 0.00 C ATOM 1858 CG LEU A 124 8.124 30.864 -33.172 1.00 0.00 C ATOM 1859 CD1 LEU A 124 9.430 30.117 -32.810 1.00 0.00 C ATOM 1860 CD2 LEU A 124 6.913 29.912 -33.255 1.00 0.00 C ATOM 0 H LEU A 124 6.878 30.154 -29.752 1.00 0.00 H new ATOM 0 HA LEU A 124 8.695 31.081 -30.485 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.887 32.496 -32.459 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.606 32.834 -32.406 1.00 0.00 H new ATOM 0 HG LEU A 124 8.264 31.279 -34.170 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.580 29.289 -33.503 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.273 30.804 -32.878 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.358 29.730 -31.793 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.141 29.092 -33.936 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.696 29.512 -32.265 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.045 30.459 -33.623 1.00 0.00 H new ATOM 1872 N GLU A 125 7.658 33.113 -28.583 1.00 0.00 N ATOM 1873 CA GLU A 125 8.109 34.126 -27.604 1.00 0.00 C ATOM 1874 C GLU A 125 9.363 33.594 -26.884 1.00 0.00 C ATOM 1875 O GLU A 125 9.255 32.939 -25.842 1.00 0.00 O ATOM 1876 CB GLU A 125 7.006 34.493 -26.564 1.00 0.00 C ATOM 1877 CG GLU A 125 5.802 35.295 -27.102 1.00 0.00 C ATOM 1878 CD GLU A 125 4.887 34.496 -28.041 1.00 0.00 C ATOM 1879 OE1 GLU A 125 4.837 34.802 -29.252 1.00 0.00 O ATOM 1880 OE2 GLU A 125 4.221 33.549 -27.560 1.00 0.00 O ATOM 0 H GLU A 125 6.944 32.478 -28.227 1.00 0.00 H new ATOM 0 HA GLU A 125 8.337 35.042 -28.148 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.632 33.570 -26.121 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.469 35.067 -25.762 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.213 35.656 -26.259 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.171 36.173 -27.632 1.00 0.00 H new ATOM 1887 N HIS A 126 10.553 33.833 -27.472 1.00 0.00 N ATOM 1888 CA HIS A 126 11.830 33.479 -26.830 1.00 0.00 C ATOM 1889 C HIS A 126 12.101 34.514 -25.725 1.00 0.00 C ATOM 1890 O HIS A 126 12.785 35.524 -25.937 1.00 0.00 O ATOM 1891 CB HIS A 126 12.993 33.406 -27.862 1.00 0.00 C ATOM 1892 CG HIS A 126 14.252 32.770 -27.318 1.00 0.00 C ATOM 1893 ND1 HIS A 126 14.544 31.433 -27.479 1.00 0.00 N ATOM 1894 CD2 HIS A 126 15.277 33.290 -26.597 1.00 0.00 C ATOM 1895 CE1 HIS A 126 15.684 31.161 -26.880 1.00 0.00 C ATOM 1896 NE2 HIS A 126 16.154 32.268 -26.340 1.00 0.00 N ATOM 0 H HIS A 126 10.653 34.269 -28.389 1.00 0.00 H new ATOM 0 HA HIS A 126 11.765 32.483 -26.392 1.00 0.00 H new ATOM 0 HB2 HIS A 126 12.659 32.842 -28.733 1.00 0.00 H new ATOM 0 HB3 HIS A 126 13.225 34.414 -28.205 1.00 0.00 H new ATOM 0 HD1 HIS A 126 13.967 30.760 -27.983 1.00 0.00 H new ATOM 0 HD2 HIS A 126 15.382 34.318 -26.284 1.00 0.00 H new ATOM 0 HE1 HIS A 126 16.157 30.191 -26.838 1.00 0.00 H new ATOM 1905 N HIS A 127 11.508 34.254 -24.557 1.00 0.00 N ATOM 1906 CA HIS A 127 11.436 35.204 -23.450 1.00 0.00 C ATOM 1907 C HIS A 127 11.488 34.379 -22.155 1.00 0.00 C ATOM 1908 O HIS A 127 10.589 33.579 -21.910 1.00 0.00 O ATOM 1909 CB HIS A 127 10.106 36.010 -23.579 1.00 0.00 C ATOM 1910 CG HIS A 127 10.051 37.296 -22.806 1.00 0.00 C ATOM 1911 ND1 HIS A 127 9.570 37.390 -21.521 1.00 0.00 N ATOM 1912 CD2 HIS A 127 10.351 38.560 -23.181 1.00 0.00 C ATOM 1913 CE1 HIS A 127 9.567 38.654 -21.148 1.00 0.00 C ATOM 1914 NE2 HIS A 127 10.037 39.382 -22.134 1.00 0.00 N ATOM 0 H HIS A 127 11.058 33.362 -24.353 1.00 0.00 H new ATOM 0 HA HIS A 127 12.257 35.921 -23.452 1.00 0.00 H new ATOM 0 HB2 HIS A 127 9.937 36.232 -24.633 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.283 35.374 -23.252 1.00 0.00 H new ATOM 0 HD2 HIS A 127 10.763 38.864 -24.132 1.00 0.00 H new ATOM 0 HE1 HIS A 127 9.234 39.028 -20.191 1.00 0.00 H new ATOM 0 HE2 HIS A 127 10.150 40.396 -22.121 1.00 0.00 H new ATOM 1923 N HIS A 128 12.556 34.537 -21.360 1.00 0.00 N ATOM 1924 CA HIS A 128 12.809 33.682 -20.180 1.00 0.00 C ATOM 1925 C HIS A 128 11.840 34.017 -19.027 1.00 0.00 C ATOM 1926 O HIS A 128 12.105 34.906 -18.206 1.00 0.00 O ATOM 1927 CB HIS A 128 14.293 33.788 -19.746 1.00 0.00 C ATOM 1928 CG HIS A 128 15.250 33.300 -20.803 1.00 0.00 C ATOM 1929 ND1 HIS A 128 15.945 34.145 -21.635 1.00 0.00 N ATOM 1930 CD2 HIS A 128 15.601 32.046 -21.166 1.00 0.00 C ATOM 1931 CE1 HIS A 128 16.678 33.436 -22.468 1.00 0.00 C ATOM 1932 NE2 HIS A 128 16.490 32.160 -22.203 1.00 0.00 N ATOM 0 H HIS A 128 13.266 35.253 -21.511 1.00 0.00 H new ATOM 0 HA HIS A 128 12.619 32.645 -20.456 1.00 0.00 H new ATOM 0 HB2 HIS A 128 14.523 34.826 -19.507 1.00 0.00 H new ATOM 0 HB3 HIS A 128 14.442 33.210 -18.834 1.00 0.00 H new ATOM 0 HD2 HIS A 128 15.247 31.127 -20.722 1.00 0.00 H new ATOM 0 HE1 HIS A 128 17.323 33.833 -23.237 1.00 0.00 H new ATOM 0 HE2 HIS A 128 16.934 31.382 -22.691 1.00 0.00 H new ATOM 1941 N HIS A 129 10.681 33.316 -19.022 1.00 0.00 N ATOM 1942 CA HIS A 129 9.632 33.472 -17.991 1.00 0.00 C ATOM 1943 C HIS A 129 9.972 32.648 -16.743 1.00 0.00 C ATOM 1944 O HIS A 129 9.633 31.465 -16.652 1.00 0.00 O ATOM 1945 CB HIS A 129 8.219 33.091 -18.533 1.00 0.00 C ATOM 1946 CG HIS A 129 7.578 34.154 -19.382 1.00 0.00 C ATOM 1947 ND1 HIS A 129 6.511 34.906 -18.953 1.00 0.00 N ATOM 1948 CD2 HIS A 129 7.854 34.586 -20.633 1.00 0.00 C ATOM 1949 CE1 HIS A 129 6.163 35.757 -19.893 1.00 0.00 C ATOM 1950 NE2 HIS A 129 6.961 35.588 -20.927 1.00 0.00 N ATOM 0 H HIS A 129 10.449 32.625 -19.736 1.00 0.00 H new ATOM 0 HA HIS A 129 9.602 34.527 -17.717 1.00 0.00 H new ATOM 0 HB2 HIS A 129 8.301 32.175 -19.118 1.00 0.00 H new ATOM 0 HB3 HIS A 129 7.565 32.872 -17.689 1.00 0.00 H new ATOM 0 HD1 HIS A 129 6.058 34.818 -18.044 1.00 0.00 H new ATOM 0 HD2 HIS A 129 8.633 34.212 -21.282 1.00 0.00 H new ATOM 0 HE1 HIS A 129 5.358 36.474 -19.828 1.00 0.00 H new ATOM 1959 N HIS A 130 10.701 33.285 -15.817 1.00 0.00 N ATOM 1960 CA HIS A 130 10.859 32.796 -14.438 1.00 0.00 C ATOM 1961 C HIS A 130 9.556 33.116 -13.651 1.00 0.00 C ATOM 1962 O HIS A 130 9.311 32.574 -12.573 1.00 0.00 O ATOM 1963 CB HIS A 130 12.111 33.446 -13.785 1.00 0.00 C ATOM 1964 CG HIS A 130 12.612 32.743 -12.545 1.00 0.00 C ATOM 1965 ND1 HIS A 130 13.466 31.660 -12.600 1.00 0.00 N ATOM 1966 CD2 HIS A 130 12.390 32.968 -11.227 1.00 0.00 C ATOM 1967 CE1 HIS A 130 13.744 31.256 -11.376 1.00 0.00 C ATOM 1968 NE2 HIS A 130 13.105 32.030 -10.528 1.00 0.00 N ATOM 0 H HIS A 130 11.199 34.156 -16.002 1.00 0.00 H new ATOM 0 HA HIS A 130 11.016 31.718 -14.426 1.00 0.00 H new ATOM 0 HB2 HIS A 130 12.915 33.473 -14.521 1.00 0.00 H new ATOM 0 HB3 HIS A 130 11.876 34.480 -13.531 1.00 0.00 H new ATOM 0 HD2 HIS A 130 11.766 33.742 -10.806 1.00 0.00 H new ATOM 0 HE1 HIS A 130 14.388 30.429 -11.115 1.00 0.00 H new ATOM 0 HE2 HIS A 130 13.136 31.946 -9.512 1.00 0.00 H new ATOM 1977 N HIS A 131 8.750 34.044 -14.208 1.00 0.00 N ATOM 1978 CA HIS A 131 7.351 34.294 -13.811 1.00 0.00 C ATOM 1979 C HIS A 131 6.464 34.199 -15.075 1.00 0.00 C ATOM 1980 O HIS A 131 5.661 33.247 -15.185 1.00 0.00 O ATOM 1981 CB HIS A 131 7.191 35.678 -13.107 1.00 0.00 C ATOM 1982 CG HIS A 131 7.563 35.683 -11.645 1.00 0.00 C ATOM 1983 ND1 HIS A 131 8.750 35.175 -11.161 1.00 0.00 N ATOM 1984 CD2 HIS A 131 6.869 36.095 -10.555 1.00 0.00 C ATOM 1985 CE1 HIS A 131 8.768 35.272 -9.846 1.00 0.00 C ATOM 1986 NE2 HIS A 131 7.644 35.829 -9.456 1.00 0.00 N ATOM 1987 OXT HIS A 131 6.620 35.054 -15.976 1.00 0.00 O ATOM 0 H HIS A 131 9.062 34.654 -14.964 1.00 0.00 H new ATOM 0 HA HIS A 131 7.039 33.544 -13.084 1.00 0.00 H new ATOM 0 HB2 HIS A 131 7.808 36.410 -13.628 1.00 0.00 H new ATOM 0 HB3 HIS A 131 6.156 36.005 -13.207 1.00 0.00 H new ATOM 0 HD2 HIS A 131 5.889 36.548 -10.553 1.00 0.00 H new ATOM 0 HE1 HIS A 131 9.570 34.949 -9.200 1.00 0.00 H new ATOM 0 HE2 HIS A 131 7.389 36.031 -8.489 1.00 0.00 H new TER 1996 HIS A 131