USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 678 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 93 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-2.4) USER MOD Set 1.2: A 94 HIS : no HD1:sc=-0.000309 X(o=-0.15,f=-0.39) USER MOD Single : A 15 ASN : amide:sc= -1.55! K(o=-1.5!,f=-0.03) USER MOD Single : A 17 GLN : amide:sc= -6.4! C(o=-6.4!,f=-3.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.622 USER MOD Single : A 24 TYR OH : rot 91:sc= 0.282 USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.0363 (180deg=-0.45) USER MOD Single : A 27 HIS : no HE2:sc= -2.03! C(o=-2!,f=-3!) USER MOD Single : A 28 ASN : amide:sc= -11.5! C(o=-12!,f=-11!) USER MOD Single : A 33 ASN : amide:sc= -1.45 K(o=-1.4,f=-0.7!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -63:sc= 1.12 USER MOD Single : A 39 ASN : amide:sc= -0.655 K(o=-0.65,f=-2.2) USER MOD Single : A 43 ASN : amide:sc= -2.69 K(o=-2.7,f=-5.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.66) USER MOD Single : A 55 ASN : amide:sc= -0.0542 K(o=-0.054,f=-2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.952 K(o=-0.95,f=-0.022) USER MOD Single : A 60 SER OG : rot 62:sc= 0.768 USER MOD Single : A 62 THR OG1 : rot -69:sc= 0.76 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -106:sc= -1.23 (180deg=-3.86!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 171:sc= 0.314 USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 0.572 (180deg=-0.735) USER MOD Single : A 79 MET CE :methyl 150:sc= -0.337 (180deg=-1.27) USER MOD Single : A 81 GLN : amide:sc= -0.0975 K(o=-0.098,f=-1.2!) USER MOD Single : A 85 LYS NZ :NH3+ 135:sc= -0.263 (180deg=-1.48!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -1.04 K(o=-1,f=-2.6!) USER MOD Single : A 96 HIS : no HD1:sc= -0.0534 X(o=-0.053,f=-0.053) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0999 K(o=-0.1,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 12 -7.709 12.161 -14.559 1.00 0.00 N ATOM 2 CA ALA A 12 -7.717 10.713 -14.204 1.00 0.00 C ATOM 3 C ALA A 12 -8.005 10.541 -12.709 1.00 0.00 C ATOM 4 O ALA A 12 -7.163 10.776 -11.860 1.00 0.00 O ATOM 5 CB ALA A 12 -6.367 10.082 -14.554 1.00 0.00 C ATOM 0 HA ALA A 12 -8.500 10.213 -14.774 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.381 9.024 -14.292 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.182 10.188 -15.623 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.576 10.584 -13.997 1.00 0.00 H new ATOM 11 N PHE A 13 -9.201 10.128 -12.394 1.00 0.00 N ATOM 12 CA PHE A 13 -9.585 9.926 -10.969 1.00 0.00 C ATOM 13 C PHE A 13 -8.721 8.818 -10.350 1.00 0.00 C ATOM 14 O PHE A 13 -8.618 8.694 -9.144 1.00 0.00 O ATOM 15 CB PHE A 13 -11.059 9.532 -10.898 1.00 0.00 C ATOM 16 CG PHE A 13 -11.451 9.299 -9.460 1.00 0.00 C ATOM 17 CD1 PHE A 13 -11.705 10.392 -8.624 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.559 7.996 -8.961 1.00 0.00 C ATOM 19 CE1 PHE A 13 -12.067 10.183 -7.288 1.00 0.00 C ATOM 20 CE2 PHE A 13 -11.919 7.786 -7.625 1.00 0.00 C ATOM 21 CZ PHE A 13 -12.173 8.879 -6.787 1.00 0.00 C ATOM 0 H PHE A 13 -9.936 9.920 -13.070 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.427 10.850 -10.414 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.677 10.318 -11.331 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -11.233 8.630 -11.484 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -11.622 11.397 -9.010 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.365 7.153 -9.607 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -12.265 11.027 -6.644 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.001 6.780 -7.240 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.450 8.717 -5.756 1.00 0.00 H new ATOM 31 N PHE A 14 -8.100 8.016 -11.174 1.00 0.00 N ATOM 32 CA PHE A 14 -7.236 6.914 -10.648 1.00 0.00 C ATOM 33 C PHE A 14 -6.043 7.511 -9.888 1.00 0.00 C ATOM 34 O PHE A 14 -5.602 6.982 -8.885 1.00 0.00 O ATOM 35 CB PHE A 14 -6.717 6.075 -11.817 1.00 0.00 C ATOM 36 CG PHE A 14 -7.861 5.309 -12.441 1.00 0.00 C ATOM 37 CD1 PHE A 14 -8.199 4.041 -11.956 1.00 0.00 C ATOM 38 CD2 PHE A 14 -8.584 5.870 -13.502 1.00 0.00 C ATOM 39 CE1 PHE A 14 -9.260 3.330 -12.532 1.00 0.00 C ATOM 40 CE2 PHE A 14 -9.646 5.161 -14.076 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.985 3.891 -13.590 1.00 0.00 C ATOM 0 H PHE A 14 -8.153 8.075 -12.191 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.821 6.288 -9.974 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.250 6.720 -12.561 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.950 5.383 -11.469 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.642 3.610 -11.137 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.322 6.849 -13.877 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.518 2.350 -12.160 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.204 5.593 -14.894 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.806 3.345 -14.032 1.00 0.00 H new ATOM 51 N ASN A 15 -5.526 8.610 -10.362 1.00 0.00 N ATOM 52 CA ASN A 15 -4.356 9.252 -9.687 1.00 0.00 C ATOM 53 C ASN A 15 -4.746 9.699 -8.272 1.00 0.00 C ATOM 54 O ASN A 15 -3.991 9.549 -7.328 1.00 0.00 O ATOM 55 CB ASN A 15 -3.930 10.483 -10.492 1.00 0.00 C ATOM 56 CG ASN A 15 -3.322 10.050 -11.828 1.00 0.00 C ATOM 57 OD1 ASN A 15 -3.168 10.854 -12.728 1.00 0.00 O ATOM 58 ND2 ASN A 15 -2.963 8.808 -12.001 1.00 0.00 N ATOM 0 H ASN A 15 -5.863 9.096 -11.193 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.538 8.534 -9.628 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.790 11.129 -10.667 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.204 11.066 -9.925 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.555 8.514 -12.888 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.090 8.131 -11.249 1.00 0.00 H new ATOM 65 N GLU A 16 -5.918 10.248 -8.128 1.00 0.00 N ATOM 66 CA GLU A 16 -6.373 10.723 -6.786 1.00 0.00 C ATOM 67 C GLU A 16 -6.588 9.527 -5.855 1.00 0.00 C ATOM 68 O GLU A 16 -6.251 9.565 -4.685 1.00 0.00 O ATOM 69 CB GLU A 16 -7.691 11.488 -6.945 1.00 0.00 C ATOM 70 CG GLU A 16 -7.450 12.843 -7.634 1.00 0.00 C ATOM 71 CD GLU A 16 -7.348 12.655 -9.152 1.00 0.00 C ATOM 72 OE1 GLU A 16 -7.364 11.519 -9.591 1.00 0.00 O ATOM 73 OE2 GLU A 16 -7.253 13.654 -9.847 1.00 0.00 O ATOM 0 H GLU A 16 -6.587 10.391 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.614 11.377 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.393 10.895 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.146 11.647 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.264 13.528 -7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.534 13.295 -7.254 1.00 0.00 H new ATOM 80 N GLN A 17 -7.145 8.468 -6.366 1.00 0.00 N ATOM 81 CA GLN A 17 -7.384 7.266 -5.517 1.00 0.00 C ATOM 82 C GLN A 17 -6.039 6.642 -5.131 1.00 0.00 C ATOM 83 O GLN A 17 -5.857 6.144 -4.034 1.00 0.00 O ATOM 84 CB GLN A 17 -8.207 6.242 -6.300 1.00 0.00 C ATOM 85 CG GLN A 17 -8.704 5.149 -5.353 1.00 0.00 C ATOM 86 CD GLN A 17 -9.745 5.739 -4.399 1.00 0.00 C ATOM 87 OE1 GLN A 17 -10.822 6.124 -4.813 1.00 0.00 O ATOM 88 NE2 GLN A 17 -9.459 5.844 -3.129 1.00 0.00 N ATOM 0 H GLN A 17 -7.447 8.380 -7.336 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.926 7.559 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.053 6.732 -6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.601 5.803 -7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.140 4.329 -5.923 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.869 4.735 -4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.556 5.521 -2.781 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.139 6.249 -2.485 1.00 0.00 H new ATOM 97 N LYS A 18 -5.098 6.668 -6.034 1.00 0.00 N ATOM 98 CA LYS A 18 -3.757 6.080 -5.745 1.00 0.00 C ATOM 99 C LYS A 18 -3.115 6.830 -4.573 1.00 0.00 C ATOM 100 O LYS A 18 -2.526 6.242 -3.685 1.00 0.00 O ATOM 101 CB LYS A 18 -2.871 6.233 -6.978 1.00 0.00 C ATOM 102 CG LYS A 18 -1.536 5.518 -6.746 1.00 0.00 C ATOM 103 CD LYS A 18 -0.625 5.700 -7.968 1.00 0.00 C ATOM 104 CE LYS A 18 -1.066 4.771 -9.104 1.00 0.00 C ATOM 105 NZ LYS A 18 -0.006 4.730 -10.148 1.00 0.00 N ATOM 0 H LYS A 18 -5.200 7.073 -6.965 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.865 5.026 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.371 5.815 -7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.698 7.289 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.049 5.918 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.709 4.457 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.658 6.737 -8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.408 5.486 -7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.251 3.769 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.003 5.124 -9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.303 4.100 -10.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.149 5.688 -10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.878 4.374 -9.731 1.00 0.00 H new ATOM 119 N GLU A 19 -3.228 8.130 -4.578 1.00 0.00 N ATOM 120 CA GLU A 19 -2.628 8.947 -3.481 1.00 0.00 C ATOM 121 C GLU A 19 -3.336 8.642 -2.154 1.00 0.00 C ATOM 122 O GLU A 19 -2.712 8.557 -1.111 1.00 0.00 O ATOM 123 CB GLU A 19 -2.806 10.430 -3.814 1.00 0.00 C ATOM 124 CG GLU A 19 -1.973 10.798 -5.045 1.00 0.00 C ATOM 125 CD GLU A 19 -0.484 10.677 -4.717 1.00 0.00 C ATOM 126 OE1 GLU A 19 -0.151 10.727 -3.544 1.00 0.00 O ATOM 127 OE2 GLU A 19 0.298 10.539 -5.643 1.00 0.00 O ATOM 0 H GLU A 19 -3.713 8.666 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.569 8.706 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.858 10.645 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.502 11.040 -2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.226 10.141 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.204 11.815 -5.361 1.00 0.00 H new ATOM 134 N LYS A 20 -4.634 8.483 -2.186 1.00 0.00 N ATOM 135 CA LYS A 20 -5.386 8.193 -0.925 1.00 0.00 C ATOM 136 C LYS A 20 -4.943 6.841 -0.350 1.00 0.00 C ATOM 137 O LYS A 20 -4.741 6.692 0.841 1.00 0.00 O ATOM 138 CB LYS A 20 -6.890 8.147 -1.211 1.00 0.00 C ATOM 139 CG LYS A 20 -7.403 9.550 -1.550 1.00 0.00 C ATOM 140 CD LYS A 20 -8.911 9.494 -1.831 1.00 0.00 C ATOM 141 CE LYS A 20 -9.428 10.898 -2.158 1.00 0.00 C ATOM 142 NZ LYS A 20 -10.892 10.839 -2.441 1.00 0.00 N ATOM 0 H LYS A 20 -5.206 8.541 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.176 8.983 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.090 7.468 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.422 7.756 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.202 10.231 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.875 9.941 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.111 8.819 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.438 9.095 -0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.236 11.571 -1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.897 11.301 -3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.241 11.793 -2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.064 10.210 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.392 10.472 -1.606 1.00 0.00 H new ATOM 156 N VAL A 21 -4.780 5.859 -1.194 1.00 0.00 N ATOM 157 CA VAL A 21 -4.345 4.517 -0.704 1.00 0.00 C ATOM 158 C VAL A 21 -2.928 4.626 -0.138 1.00 0.00 C ATOM 159 O VAL A 21 -2.613 4.074 0.901 1.00 0.00 O ATOM 160 CB VAL A 21 -4.348 3.518 -1.865 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.719 2.198 -1.411 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.787 3.265 -2.318 1.00 0.00 C ATOM 0 H VAL A 21 -4.929 5.926 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.030 4.173 0.071 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.771 3.928 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.723 1.489 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.693 2.376 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.293 1.788 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.789 2.554 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.364 2.858 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.236 4.203 -2.645 1.00 0.00 H new ATOM 172 N THR A 22 -2.079 5.344 -0.815 1.00 0.00 N ATOM 173 CA THR A 22 -0.680 5.501 -0.336 1.00 0.00 C ATOM 174 C THR A 22 -0.695 6.162 1.043 1.00 0.00 C ATOM 175 O THR A 22 -0.024 5.736 1.964 1.00 0.00 O ATOM 176 CB THR A 22 0.089 6.391 -1.316 1.00 0.00 C ATOM 177 OG1 THR A 22 0.151 5.754 -2.585 1.00 0.00 O ATOM 178 CG2 THR A 22 1.507 6.634 -0.792 1.00 0.00 C ATOM 0 H THR A 22 -2.295 5.832 -1.684 1.00 0.00 H new ATOM 0 HA THR A 22 -0.198 4.525 -0.271 1.00 0.00 H new ATOM 0 HB THR A 22 -0.424 7.347 -1.414 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.703 5.871 -3.052 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.050 7.268 -1.493 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.457 7.127 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.025 5.681 -0.689 1.00 0.00 H new ATOM 186 N LEU A 23 -1.480 7.192 1.193 1.00 0.00 N ATOM 187 CA LEU A 23 -1.566 7.883 2.510 1.00 0.00 C ATOM 188 C LEU A 23 -2.141 6.913 3.545 1.00 0.00 C ATOM 189 O LEU A 23 -1.683 6.836 4.671 1.00 0.00 O ATOM 190 CB LEU A 23 -2.488 9.099 2.385 1.00 0.00 C ATOM 191 CG LEU A 23 -2.683 9.763 3.758 1.00 0.00 C ATOM 192 CD1 LEU A 23 -1.321 10.127 4.364 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.530 11.031 3.593 1.00 0.00 C ATOM 0 H LEU A 23 -2.067 7.586 0.458 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.574 8.210 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.062 9.816 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.453 8.793 1.981 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.192 9.067 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.469 10.597 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.723 9.223 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.802 10.820 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.670 11.504 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.021 11.724 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.501 10.768 3.174 1.00 0.00 H new ATOM 205 N TYR A 24 -3.141 6.168 3.157 1.00 0.00 N ATOM 206 CA TYR A 24 -3.763 5.190 4.097 1.00 0.00 C ATOM 207 C TYR A 24 -2.710 4.164 4.517 1.00 0.00 C ATOM 208 O TYR A 24 -2.542 3.863 5.685 1.00 0.00 O ATOM 209 CB TYR A 24 -4.913 4.473 3.384 1.00 0.00 C ATOM 210 CG TYR A 24 -5.483 3.405 4.284 1.00 0.00 C ATOM 211 CD1 TYR A 24 -6.470 3.732 5.220 1.00 0.00 C ATOM 212 CD2 TYR A 24 -5.029 2.084 4.178 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.996 2.743 6.057 1.00 0.00 C ATOM 214 CE2 TYR A 24 -5.554 1.094 5.017 1.00 0.00 C ATOM 215 CZ TYR A 24 -6.542 1.423 5.954 1.00 0.00 C ATOM 216 OH TYR A 24 -7.060 0.447 6.782 1.00 0.00 O ATOM 0 H TYR A 24 -3.556 6.195 2.226 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.143 5.709 4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.690 5.189 3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.556 4.027 2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.826 4.749 5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.274 1.829 3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.753 2.998 6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.198 0.077 4.942 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.834 0.028 6.350 1.00 0.00 H new ATOM 226 N LEU A 25 -1.994 3.641 3.563 1.00 0.00 N ATOM 227 CA LEU A 25 -0.936 2.634 3.867 1.00 0.00 C ATOM 228 C LEU A 25 0.167 3.286 4.704 1.00 0.00 C ATOM 229 O LEU A 25 0.704 2.695 5.620 1.00 0.00 O ATOM 230 CB LEU A 25 -0.328 2.132 2.558 1.00 0.00 C ATOM 231 CG LEU A 25 -1.359 1.293 1.787 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.830 1.011 0.376 1.00 0.00 C ATOM 233 CD2 LEU A 25 -1.622 -0.039 2.517 1.00 0.00 C ATOM 0 H LEU A 25 -2.096 3.870 2.574 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.376 1.804 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.006 2.977 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.559 1.533 2.766 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.295 1.849 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.559 0.416 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.664 1.954 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.110 0.463 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.354 -0.622 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.692 -0.602 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.006 0.164 3.517 1.00 0.00 H new ATOM 245 N LYS A 26 0.507 4.500 4.383 1.00 0.00 N ATOM 246 CA LYS A 26 1.586 5.200 5.135 1.00 0.00 C ATOM 247 C LYS A 26 1.227 5.285 6.624 1.00 0.00 C ATOM 248 O LYS A 26 2.033 4.984 7.486 1.00 0.00 O ATOM 249 CB LYS A 26 1.740 6.617 4.578 1.00 0.00 C ATOM 250 CG LYS A 26 2.910 7.317 5.274 1.00 0.00 C ATOM 251 CD LYS A 26 3.130 8.698 4.654 1.00 0.00 C ATOM 252 CE LYS A 26 4.318 9.376 5.339 1.00 0.00 C ATOM 253 NZ LYS A 26 3.979 9.652 6.764 1.00 0.00 N ATOM 0 H LYS A 26 0.084 5.041 3.629 1.00 0.00 H new ATOM 0 HA LYS A 26 2.517 4.645 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.913 6.579 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.821 7.182 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.705 7.415 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.815 6.717 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.318 8.603 3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.233 9.307 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.199 8.736 5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.565 10.306 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.634 10.365 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.004 10.009 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.063 8.775 7.317 1.00 0.00 H new ATOM 267 N HIS A 27 0.027 5.696 6.932 1.00 0.00 N ATOM 268 CA HIS A 27 -0.387 5.807 8.365 1.00 0.00 C ATOM 269 C HIS A 27 -0.637 4.410 8.951 1.00 0.00 C ATOM 270 O HIS A 27 -0.245 4.108 10.062 1.00 0.00 O ATOM 271 CB HIS A 27 -1.666 6.637 8.459 1.00 0.00 C ATOM 272 CG HIS A 27 -1.345 8.093 8.258 1.00 0.00 C ATOM 273 ND1 HIS A 27 -0.389 8.749 9.017 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.845 9.033 7.391 1.00 0.00 C ATOM 275 CE1 HIS A 27 -0.342 10.025 8.596 1.00 0.00 C ATOM 276 NE2 HIS A 27 -1.208 10.252 7.607 1.00 0.00 N ATOM 0 H HIS A 27 -0.687 5.961 6.254 1.00 0.00 H new ATOM 0 HA HIS A 27 0.408 6.292 8.931 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.381 6.306 7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -2.135 6.490 9.432 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.176 8.338 9.760 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.614 8.854 6.654 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.317 10.775 9.008 1.00 0.00 H new ATOM 284 N ASN A 28 -1.289 3.561 8.204 1.00 0.00 N ATOM 285 CA ASN A 28 -1.571 2.182 8.703 1.00 0.00 C ATOM 286 C ASN A 28 -0.258 1.425 8.877 1.00 0.00 C ATOM 287 O ASN A 28 -0.078 0.677 9.824 1.00 0.00 O ATOM 288 CB ASN A 28 -2.438 1.438 7.686 1.00 0.00 C ATOM 289 CG ASN A 28 -3.858 2.015 7.683 1.00 0.00 C ATOM 290 OD1 ASN A 28 -4.275 2.624 6.715 1.00 0.00 O ATOM 291 ND2 ASN A 28 -4.623 1.851 8.729 1.00 0.00 N ATOM 0 H ASN A 28 -1.640 3.762 7.268 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.092 2.246 9.658 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.000 1.524 6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.469 0.376 7.930 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.569 2.233 8.734 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.275 1.341 9.541 1.00 0.00 H new ATOM 298 N ILE A 29 0.659 1.606 7.958 1.00 0.00 N ATOM 299 CA ILE A 29 1.967 0.895 8.044 1.00 0.00 C ATOM 300 C ILE A 29 3.064 1.882 8.491 1.00 0.00 C ATOM 301 O ILE A 29 3.452 2.756 7.741 1.00 0.00 O ATOM 302 CB ILE A 29 2.326 0.318 6.679 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.158 -0.542 6.192 1.00 0.00 C ATOM 304 CG2 ILE A 29 3.581 -0.556 6.816 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.449 -1.052 4.783 1.00 0.00 C ATOM 0 H ILE A 29 0.555 2.219 7.149 1.00 0.00 H new ATOM 0 HA ILE A 29 1.891 0.086 8.770 1.00 0.00 H new ATOM 0 HB ILE A 29 2.520 1.121 5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.005 -1.382 6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.237 0.042 6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.843 -0.972 5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.408 0.050 7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.384 -1.368 7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.616 -1.664 4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.580 -0.205 4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.359 -1.651 4.794 1.00 0.00 H new ATOM 317 N PRO A 30 3.565 1.755 9.698 1.00 0.00 N ATOM 318 CA PRO A 30 4.616 2.676 10.226 1.00 0.00 C ATOM 319 C PRO A 30 5.970 2.417 9.550 1.00 0.00 C ATOM 320 O PRO A 30 6.875 3.232 9.599 1.00 0.00 O ATOM 321 CB PRO A 30 4.679 2.347 11.728 1.00 0.00 C ATOM 322 CG PRO A 30 4.166 0.945 11.850 1.00 0.00 C ATOM 323 CD PRO A 30 3.197 0.729 10.689 1.00 0.00 C ATOM 0 HA PRO A 30 4.386 3.724 10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.699 2.426 12.105 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.070 3.040 12.308 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.986 0.228 11.808 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.663 0.799 12.806 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.293 -0.274 10.274 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.162 0.843 11.011 1.00 0.00 H new ATOM 331 N ASP A 31 6.100 1.287 8.918 1.00 0.00 N ATOM 332 CA ASP A 31 7.376 0.940 8.228 1.00 0.00 C ATOM 333 C ASP A 31 7.250 1.280 6.737 1.00 0.00 C ATOM 334 O ASP A 31 8.052 0.866 5.922 1.00 0.00 O ATOM 335 CB ASP A 31 7.636 -0.560 8.402 1.00 0.00 C ATOM 336 CG ASP A 31 9.000 -0.923 7.814 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.755 -0.013 7.517 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.268 -2.106 7.676 1.00 0.00 O ATOM 0 H ASP A 31 5.369 0.579 8.848 1.00 0.00 H new ATOM 0 HA ASP A 31 8.204 1.506 8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.604 -0.823 9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.852 -1.134 7.907 1.00 0.00 H new ATOM 343 N PHE A 32 6.240 2.030 6.381 1.00 0.00 N ATOM 344 CA PHE A 32 6.039 2.402 4.950 1.00 0.00 C ATOM 345 C PHE A 32 7.273 3.138 4.421 1.00 0.00 C ATOM 346 O PHE A 32 7.751 4.085 5.017 1.00 0.00 O ATOM 347 CB PHE A 32 4.817 3.317 4.838 1.00 0.00 C ATOM 348 CG PHE A 32 4.590 3.708 3.396 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.359 4.721 2.809 1.00 0.00 C ATOM 350 CD2 PHE A 32 3.601 3.058 2.646 1.00 0.00 C ATOM 351 CE1 PHE A 32 5.143 5.079 1.472 1.00 0.00 C ATOM 352 CE2 PHE A 32 3.384 3.417 1.312 1.00 0.00 C ATOM 353 CZ PHE A 32 4.156 4.428 0.724 1.00 0.00 C ATOM 0 H PHE A 32 5.542 2.403 7.024 1.00 0.00 H new ATOM 0 HA PHE A 32 5.884 1.498 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.935 2.808 5.228 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.965 4.210 5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.119 5.226 3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.006 2.279 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.738 5.858 1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.621 2.915 0.735 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.989 4.705 -0.307 1.00 0.00 H new ATOM 363 N ASN A 33 7.782 2.702 3.297 1.00 0.00 N ATOM 364 CA ASN A 33 8.982 3.353 2.686 1.00 0.00 C ATOM 365 C ASN A 33 8.656 3.744 1.242 1.00 0.00 C ATOM 366 O ASN A 33 8.818 4.879 0.842 1.00 0.00 O ATOM 367 CB ASN A 33 10.144 2.360 2.691 1.00 0.00 C ATOM 368 CG ASN A 33 10.701 2.236 4.109 1.00 0.00 C ATOM 369 OD1 ASN A 33 10.152 1.533 4.936 1.00 0.00 O ATOM 370 ND2 ASN A 33 11.779 2.899 4.428 1.00 0.00 N ATOM 0 H ASN A 33 7.412 1.912 2.769 1.00 0.00 H new ATOM 0 HA ASN A 33 9.255 4.242 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.806 1.387 2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.926 2.695 2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.161 2.828 5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.239 3.488 3.734 1.00 0.00 H new ATOM 377 N THR A 34 8.196 2.804 0.456 1.00 0.00 N ATOM 378 CA THR A 34 7.860 3.110 -0.968 1.00 0.00 C ATOM 379 C THR A 34 6.670 2.270 -1.416 1.00 0.00 C ATOM 380 O THR A 34 6.373 1.241 -0.837 1.00 0.00 O ATOM 381 CB THR A 34 9.060 2.802 -1.866 1.00 0.00 C ATOM 382 OG1 THR A 34 8.653 2.849 -3.225 1.00 0.00 O ATOM 383 CG2 THR A 34 9.611 1.412 -1.543 1.00 0.00 C ATOM 0 H THR A 34 8.038 1.837 0.739 1.00 0.00 H new ATOM 0 HA THR A 34 7.608 4.167 -1.047 1.00 0.00 H new ATOM 0 HB THR A 34 9.841 3.542 -1.691 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.420 2.654 -3.803 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.465 1.201 -2.187 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.926 1.379 -0.500 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.836 0.665 -1.712 1.00 0.00 H new ATOM 391 N VAL A 35 5.989 2.713 -2.441 1.00 0.00 N ATOM 392 CA VAL A 35 4.802 1.969 -2.956 1.00 0.00 C ATOM 393 C VAL A 35 4.818 1.959 -4.485 1.00 0.00 C ATOM 394 O VAL A 35 5.120 2.954 -5.119 1.00 0.00 O ATOM 395 CB VAL A 35 3.530 2.656 -2.454 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.492 4.110 -2.937 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.305 1.910 -2.982 1.00 0.00 C ATOM 0 H VAL A 35 6.208 3.570 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 35 4.830 0.940 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 35 3.525 2.643 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.583 4.590 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.362 4.644 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.504 4.132 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.399 2.399 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.316 1.918 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.325 0.880 -2.627 1.00 0.00 H new ATOM 407 N THR A 36 4.493 0.839 -5.077 1.00 0.00 N ATOM 408 CA THR A 36 4.479 0.734 -6.568 1.00 0.00 C ATOM 409 C THR A 36 3.158 0.114 -7.026 1.00 0.00 C ATOM 410 O THR A 36 2.784 -0.974 -6.610 1.00 0.00 O ATOM 411 CB THR A 36 5.647 -0.136 -7.030 1.00 0.00 C ATOM 412 OG1 THR A 36 6.867 0.466 -6.622 1.00 0.00 O ATOM 413 CG2 THR A 36 5.619 -0.263 -8.555 1.00 0.00 C ATOM 0 H THR A 36 4.234 -0.017 -4.586 1.00 0.00 H new ATOM 0 HA THR A 36 4.578 1.729 -7.003 1.00 0.00 H new ATOM 0 HB THR A 36 5.564 -1.128 -6.587 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.620 -0.089 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.452 -0.884 -8.884 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.680 -0.722 -8.865 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.704 0.726 -9.004 1.00 0.00 H new ATOM 421 N PHE A 37 2.454 0.804 -7.882 1.00 0.00 N ATOM 422 CA PHE A 37 1.149 0.292 -8.396 1.00 0.00 C ATOM 423 C PHE A 37 1.343 -0.291 -9.800 1.00 0.00 C ATOM 424 O PHE A 37 1.722 0.400 -10.728 1.00 0.00 O ATOM 425 CB PHE A 37 0.149 1.450 -8.456 1.00 0.00 C ATOM 426 CG PHE A 37 0.012 2.063 -7.082 1.00 0.00 C ATOM 427 CD1 PHE A 37 0.854 3.113 -6.694 1.00 0.00 C ATOM 428 CD2 PHE A 37 -0.956 1.580 -6.193 1.00 0.00 C ATOM 429 CE1 PHE A 37 0.727 3.680 -5.419 1.00 0.00 C ATOM 430 CE2 PHE A 37 -1.082 2.147 -4.918 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.242 3.196 -4.532 1.00 0.00 C ATOM 0 H PHE A 37 2.731 1.713 -8.252 1.00 0.00 H new ATOM 0 HA PHE A 37 0.772 -0.487 -7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.487 2.201 -9.170 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.819 1.092 -8.805 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.602 3.486 -7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.606 0.770 -6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.376 4.490 -5.121 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.829 1.773 -4.233 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.341 3.633 -3.549 1.00 0.00 H new ATOM 441 N THR A 38 1.092 -1.560 -9.952 1.00 0.00 N ATOM 442 CA THR A 38 1.255 -2.213 -11.282 1.00 0.00 C ATOM 443 C THR A 38 0.344 -3.446 -11.355 1.00 0.00 C ATOM 444 O THR A 38 0.646 -4.418 -12.017 1.00 0.00 O ATOM 445 CB THR A 38 2.718 -2.627 -11.477 1.00 0.00 C ATOM 446 OG1 THR A 38 2.821 -3.480 -12.606 1.00 0.00 O ATOM 447 CG2 THR A 38 3.225 -3.360 -10.235 1.00 0.00 C ATOM 0 H THR A 38 0.778 -2.180 -9.205 1.00 0.00 H new ATOM 0 HA THR A 38 0.978 -1.514 -12.071 1.00 0.00 H new ATOM 0 HB THR A 38 3.324 -1.735 -11.635 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.316 -4.303 -12.441 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.265 -3.650 -10.383 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.151 -2.702 -9.369 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.620 -4.251 -10.066 1.00 0.00 H new ATOM 455 N ASN A 39 -0.765 -3.409 -10.662 1.00 0.00 N ATOM 456 CA ASN A 39 -1.709 -4.567 -10.674 1.00 0.00 C ATOM 457 C ASN A 39 -3.145 -4.043 -10.530 1.00 0.00 C ATOM 458 O ASN A 39 -4.061 -4.776 -10.214 1.00 0.00 O ATOM 459 CB ASN A 39 -1.377 -5.498 -9.504 1.00 0.00 C ATOM 460 CG ASN A 39 -2.262 -6.745 -9.568 1.00 0.00 C ATOM 461 OD1 ASN A 39 -2.706 -7.139 -10.629 1.00 0.00 O ATOM 462 ND2 ASN A 39 -2.540 -7.386 -8.464 1.00 0.00 N ATOM 0 H ASN A 39 -1.059 -2.621 -10.085 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.615 -5.117 -11.610 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.326 -5.784 -9.542 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.532 -4.979 -8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.130 -8.218 -8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.167 -7.055 -7.574 1.00 0.00 H new ATOM 469 N GLU A 40 -3.333 -2.768 -10.752 1.00 0.00 N ATOM 470 CA GLU A 40 -4.695 -2.165 -10.626 1.00 0.00 C ATOM 471 C GLU A 40 -5.690 -2.881 -11.542 1.00 0.00 C ATOM 472 O GLU A 40 -5.376 -3.252 -12.660 1.00 0.00 O ATOM 473 CB GLU A 40 -4.634 -0.681 -10.996 1.00 0.00 C ATOM 474 CG GLU A 40 -3.846 0.079 -9.926 1.00 0.00 C ATOM 475 CD GLU A 40 -3.703 1.549 -10.328 1.00 0.00 C ATOM 476 OE1 GLU A 40 -4.211 1.909 -11.376 1.00 0.00 O ATOM 477 OE2 GLU A 40 -3.091 2.290 -9.576 1.00 0.00 O ATOM 0 H GLU A 40 -2.597 -2.114 -11.017 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.030 -2.275 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.159 -0.557 -11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.642 -0.274 -11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.355 0.004 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.861 -0.370 -9.800 1.00 0.00 H new ATOM 484 N GLU A 41 -6.894 -3.074 -11.066 1.00 0.00 N ATOM 485 CA GLU A 41 -7.936 -3.767 -11.886 1.00 0.00 C ATOM 486 C GLU A 41 -9.316 -3.179 -11.574 1.00 0.00 C ATOM 487 O GLU A 41 -9.546 -2.625 -10.515 1.00 0.00 O ATOM 488 CB GLU A 41 -7.932 -5.267 -11.570 1.00 0.00 C ATOM 489 CG GLU A 41 -8.231 -5.487 -10.083 1.00 0.00 C ATOM 490 CD GLU A 41 -8.138 -6.979 -9.755 1.00 0.00 C ATOM 491 OE1 GLU A 41 -8.517 -7.775 -10.599 1.00 0.00 O ATOM 492 OE2 GLU A 41 -7.691 -7.300 -8.667 1.00 0.00 O ATOM 0 H GLU A 41 -7.202 -2.780 -10.139 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.713 -3.622 -12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.677 -5.778 -12.179 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.963 -5.698 -11.823 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.524 -4.926 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.226 -5.113 -9.843 1.00 0.00 H new ATOM 499 N PHE A 42 -10.228 -3.292 -12.499 1.00 0.00 N ATOM 500 CA PHE A 42 -11.596 -2.744 -12.287 1.00 0.00 C ATOM 501 C PHE A 42 -12.375 -3.653 -11.351 1.00 0.00 C ATOM 502 O PHE A 42 -12.283 -4.868 -11.420 1.00 0.00 O ATOM 503 CB PHE A 42 -12.327 -2.656 -13.626 1.00 0.00 C ATOM 504 CG PHE A 42 -11.796 -1.488 -14.419 1.00 0.00 C ATOM 505 CD1 PHE A 42 -10.715 -1.663 -15.289 1.00 0.00 C ATOM 506 CD2 PHE A 42 -12.391 -0.228 -14.284 1.00 0.00 C ATOM 507 CE1 PHE A 42 -10.227 -0.576 -16.026 1.00 0.00 C ATOM 508 CE2 PHE A 42 -11.906 0.858 -15.021 1.00 0.00 C ATOM 509 CZ PHE A 42 -10.824 0.685 -15.892 1.00 0.00 C ATOM 0 H PHE A 42 -10.082 -3.745 -13.401 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.517 -1.750 -11.847 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -12.191 -3.581 -14.187 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.398 -2.538 -13.460 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.257 -2.635 -15.393 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.225 -0.094 -13.611 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.391 -0.710 -16.697 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.366 1.830 -14.918 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.449 1.523 -16.461 1.00 0.00 H new ATOM 519 N ASN A 43 -13.146 -3.063 -10.477 1.00 0.00 N ATOM 520 CA ASN A 43 -13.954 -3.863 -9.516 1.00 0.00 C ATOM 521 C ASN A 43 -15.452 -3.709 -9.848 1.00 0.00 C ATOM 522 O ASN A 43 -15.908 -2.628 -10.168 1.00 0.00 O ATOM 523 CB ASN A 43 -13.687 -3.360 -8.083 1.00 0.00 C ATOM 524 CG ASN A 43 -13.803 -4.530 -7.095 1.00 0.00 C ATOM 525 OD1 ASN A 43 -14.444 -4.421 -6.069 1.00 0.00 O ATOM 526 ND2 ASN A 43 -13.202 -5.658 -7.375 1.00 0.00 N ATOM 0 H ASN A 43 -13.250 -2.052 -10.388 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.675 -4.914 -9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.693 -2.917 -8.022 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.401 -2.579 -7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.272 -6.446 -6.732 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.664 -5.749 -8.237 1.00 0.00 H new ATOM 533 N PRO A 44 -16.221 -4.767 -9.756 1.00 0.00 N ATOM 534 CA PRO A 44 -17.688 -4.711 -10.024 1.00 0.00 C ATOM 535 C PRO A 44 -18.349 -3.539 -9.284 1.00 0.00 C ATOM 536 O PRO A 44 -19.259 -2.898 -9.780 1.00 0.00 O ATOM 537 CB PRO A 44 -18.208 -6.048 -9.468 1.00 0.00 C ATOM 538 CG PRO A 44 -17.042 -6.985 -9.513 1.00 0.00 C ATOM 539 CD PRO A 44 -15.783 -6.126 -9.405 1.00 0.00 C ATOM 0 HA PRO A 44 -17.910 -4.563 -11.081 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -18.578 -5.931 -8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -19.037 -6.425 -10.067 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.091 -7.704 -8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.041 -7.558 -10.441 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.367 -6.159 -8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.005 -6.478 -10.083 1.00 0.00 H new ATOM 547 N ILE A 45 -17.888 -3.258 -8.093 1.00 0.00 N ATOM 548 CA ILE A 45 -18.469 -2.132 -7.305 1.00 0.00 C ATOM 549 C ILE A 45 -17.761 -0.829 -7.690 1.00 0.00 C ATOM 550 O ILE A 45 -18.140 0.248 -7.270 1.00 0.00 O ATOM 551 CB ILE A 45 -18.271 -2.411 -5.806 1.00 0.00 C ATOM 552 CG1 ILE A 45 -19.047 -1.375 -4.985 1.00 0.00 C ATOM 553 CG2 ILE A 45 -16.781 -2.326 -5.450 1.00 0.00 C ATOM 554 CD1 ILE A 45 -19.117 -1.823 -3.524 1.00 0.00 C ATOM 0 H ILE A 45 -17.131 -3.762 -7.631 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.534 -2.039 -7.517 1.00 0.00 H new ATOM 0 HB ILE A 45 -18.639 -3.411 -5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.560 -0.403 -5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -20.053 -1.257 -5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.649 -2.525 -4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.226 -3.064 -6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -16.408 -1.328 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -19.669 -1.084 -2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -19.624 -2.786 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -18.108 -1.918 -3.124 1.00 0.00 H new ATOM 566 N GLY A 46 -16.738 -0.924 -8.492 1.00 0.00 N ATOM 567 CA GLY A 46 -16.005 0.304 -8.912 1.00 0.00 C ATOM 568 C GLY A 46 -14.590 -0.056 -9.364 1.00 0.00 C ATOM 569 O GLY A 46 -14.397 -0.738 -10.353 1.00 0.00 O ATOM 0 H GLY A 46 -16.377 -1.798 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.540 0.796 -9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.961 1.012 -8.084 1.00 0.00 H new ATOM 573 N ILE A 47 -13.603 0.407 -8.644 1.00 0.00 N ATOM 574 CA ILE A 47 -12.177 0.122 -9.011 1.00 0.00 C ATOM 575 C ILE A 47 -11.430 -0.465 -7.816 1.00 0.00 C ATOM 576 O ILE A 47 -11.815 -0.282 -6.675 1.00 0.00 O ATOM 577 CB ILE A 47 -11.505 1.424 -9.451 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.616 2.479 -8.340 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.190 1.942 -10.715 1.00 0.00 C ATOM 580 CD1 ILE A 47 -10.798 3.716 -8.722 1.00 0.00 C ATOM 0 H ILE A 47 -13.722 0.978 -7.807 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.153 -0.601 -9.826 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.451 1.232 -9.653 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.660 2.754 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.254 2.068 -7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.714 2.870 -11.032 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.101 1.199 -11.508 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.244 2.127 -10.508 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.878 4.463 -7.932 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.753 3.435 -8.851 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.180 4.131 -9.655 1.00 0.00 H new ATOM 592 N SER A 48 -10.364 -1.175 -8.079 1.00 0.00 N ATOM 593 CA SER A 48 -9.563 -1.795 -6.982 1.00 0.00 C ATOM 594 C SER A 48 -8.091 -1.414 -7.150 1.00 0.00 C ATOM 595 O SER A 48 -7.521 -1.523 -8.226 1.00 0.00 O ATOM 596 CB SER A 48 -9.713 -3.314 -7.053 1.00 0.00 C ATOM 597 OG SER A 48 -8.921 -3.912 -6.039 1.00 0.00 O ATOM 0 H SER A 48 -10.010 -1.354 -9.019 1.00 0.00 H new ATOM 0 HA SER A 48 -9.918 -1.437 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.759 -3.594 -6.926 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.403 -3.676 -8.033 1.00 0.00 H new ATOM 0 HG SER A 48 -9.017 -4.886 -6.081 1.00 0.00 H new ATOM 603 N ILE A 49 -7.477 -0.966 -6.087 1.00 0.00 N ATOM 604 CA ILE A 49 -6.043 -0.560 -6.146 1.00 0.00 C ATOM 605 C ILE A 49 -5.173 -1.693 -5.619 1.00 0.00 C ATOM 606 O ILE A 49 -5.289 -2.105 -4.480 1.00 0.00 O ATOM 607 CB ILE A 49 -5.830 0.685 -5.281 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.846 1.764 -5.680 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.408 1.214 -5.481 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.760 2.046 -7.186 1.00 0.00 C ATOM 0 H ILE A 49 -7.913 -0.863 -5.171 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.771 -0.340 -7.178 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.971 0.426 -4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.853 1.438 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.653 2.679 -5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.259 2.100 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.690 0.446 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.260 1.473 -6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.486 2.813 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.757 2.393 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.976 1.132 -7.740 1.00 0.00 H new ATOM 622 N ASP A 50 -4.304 -2.196 -6.453 1.00 0.00 N ATOM 623 CA ASP A 50 -3.402 -3.315 -6.044 1.00 0.00 C ATOM 624 C ASP A 50 -1.948 -2.904 -6.256 1.00 0.00 C ATOM 625 O ASP A 50 -1.610 -2.238 -7.217 1.00 0.00 O ATOM 626 CB ASP A 50 -3.706 -4.551 -6.891 1.00 0.00 C ATOM 627 CG ASP A 50 -5.069 -5.114 -6.491 1.00 0.00 C ATOM 628 OD1 ASP A 50 -5.539 -4.771 -5.419 1.00 0.00 O ATOM 629 OD2 ASP A 50 -5.619 -5.888 -7.258 1.00 0.00 O ATOM 0 H ASP A 50 -4.178 -1.876 -7.413 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.566 -3.544 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.704 -4.290 -7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.932 -5.305 -6.747 1.00 0.00 H new ATOM 634 N GLY A 51 -1.093 -3.298 -5.362 1.00 0.00 N ATOM 635 CA GLY A 51 0.344 -2.936 -5.499 1.00 0.00 C ATOM 636 C GLY A 51 1.143 -3.527 -4.341 1.00 0.00 C ATOM 637 O GLY A 51 0.659 -4.359 -3.596 1.00 0.00 O ATOM 0 H GLY A 51 -1.325 -3.856 -4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.733 -3.308 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.455 -1.852 -5.512 1.00 0.00 H new ATOM 641 N TYR A 52 2.366 -3.102 -4.196 1.00 0.00 N ATOM 642 CA TYR A 52 3.230 -3.626 -3.094 1.00 0.00 C ATOM 643 C TYR A 52 4.155 -2.529 -2.594 1.00 0.00 C ATOM 644 O TYR A 52 4.322 -1.503 -3.227 1.00 0.00 O ATOM 645 CB TYR A 52 4.062 -4.809 -3.595 1.00 0.00 C ATOM 646 CG TYR A 52 4.723 -4.458 -4.910 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.961 -3.802 -4.928 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.096 -4.798 -6.116 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.571 -3.491 -6.150 1.00 0.00 C ATOM 650 CE2 TYR A 52 4.706 -4.484 -7.336 1.00 0.00 C ATOM 651 CZ TYR A 52 5.943 -3.831 -7.353 1.00 0.00 C ATOM 652 OH TYR A 52 6.543 -3.524 -8.558 1.00 0.00 O ATOM 0 H TYR A 52 2.811 -2.408 -4.797 1.00 0.00 H new ATOM 0 HA TYR A 52 2.591 -3.959 -2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.820 -5.070 -2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.425 -5.684 -3.721 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.445 -3.536 -4.000 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.141 -5.303 -6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.527 -2.988 -6.163 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.221 -4.746 -8.265 1.00 0.00 H new ATOM 0 HH TYR A 52 6.110 -4.029 -9.277 1.00 0.00 H new ATOM 662 N ILE A 53 4.746 -2.743 -1.445 1.00 0.00 N ATOM 663 CA ILE A 53 5.665 -1.722 -0.851 1.00 0.00 C ATOM 664 C ILE A 53 7.047 -2.320 -0.602 1.00 0.00 C ATOM 665 O ILE A 53 7.241 -3.522 -0.627 1.00 0.00 O ATOM 666 CB ILE A 53 5.079 -1.213 0.470 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.876 -2.386 1.439 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.738 -0.531 0.208 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.394 -1.851 2.789 1.00 0.00 C ATOM 0 H ILE A 53 4.630 -3.589 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 53 5.767 -0.894 -1.552 1.00 0.00 H new ATOM 0 HB ILE A 53 5.771 -0.497 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.147 -3.087 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.810 -2.934 1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.323 -0.170 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.884 0.310 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.048 -1.245 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.249 -2.682 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.139 -1.167 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.450 -1.322 2.655 1.00 0.00 H new ATOM 681 N ASN A 54 8.008 -1.463 -0.380 1.00 0.00 N ATOM 682 CA ASN A 54 9.413 -1.918 -0.133 1.00 0.00 C ATOM 683 C ASN A 54 9.906 -2.749 -1.323 1.00 0.00 C ATOM 684 O ASN A 54 10.705 -3.661 -1.183 1.00 0.00 O ATOM 685 CB ASN A 54 9.482 -2.741 1.164 1.00 0.00 C ATOM 686 CG ASN A 54 9.310 -1.807 2.367 1.00 0.00 C ATOM 687 OD1 ASN A 54 10.183 -1.016 2.669 1.00 0.00 O ATOM 688 ND2 ASN A 54 8.210 -1.859 3.067 1.00 0.00 N ATOM 0 H ASN A 54 7.879 -0.451 -0.359 1.00 0.00 H new ATOM 0 HA ASN A 54 10.058 -1.046 -0.023 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.703 -3.503 1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.437 -3.262 1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.084 -1.237 3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.476 -2.522 2.816 1.00 0.00 H new ATOM 695 N ASN A 55 9.439 -2.416 -2.496 1.00 0.00 N ATOM 696 CA ASN A 55 9.864 -3.146 -3.730 1.00 0.00 C ATOM 697 C ASN A 55 9.805 -4.655 -3.496 1.00 0.00 C ATOM 698 O ASN A 55 10.564 -5.413 -4.073 1.00 0.00 O ATOM 699 CB ASN A 55 11.292 -2.736 -4.107 1.00 0.00 C ATOM 700 CG ASN A 55 11.282 -1.306 -4.656 1.00 0.00 C ATOM 701 OD1 ASN A 55 10.251 -0.798 -5.048 1.00 0.00 O ATOM 702 ND2 ASN A 55 12.400 -0.631 -4.705 1.00 0.00 N ATOM 0 H ASN A 55 8.773 -1.660 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 55 9.187 -2.888 -4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.942 -2.798 -3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.694 -3.421 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.405 0.321 -5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.267 -1.056 -4.376 1.00 0.00 H new ATOM 709 N ASP A 56 8.905 -5.096 -2.656 1.00 0.00 N ATOM 710 CA ASP A 56 8.776 -6.559 -2.370 1.00 0.00 C ATOM 711 C ASP A 56 7.440 -7.072 -2.914 1.00 0.00 C ATOM 712 O ASP A 56 6.381 -6.740 -2.414 1.00 0.00 O ATOM 713 CB ASP A 56 8.852 -6.788 -0.862 1.00 0.00 C ATOM 714 CG ASP A 56 9.041 -8.281 -0.583 1.00 0.00 C ATOM 715 OD1 ASP A 56 8.941 -9.054 -1.520 1.00 0.00 O ATOM 716 OD2 ASP A 56 9.285 -8.623 0.564 1.00 0.00 O ATOM 0 H ASP A 56 8.248 -4.501 -2.151 1.00 0.00 H new ATOM 0 HA ASP A 56 9.587 -7.102 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.680 -6.220 -0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.941 -6.430 -0.382 1.00 0.00 H new ATOM 721 N LYS A 57 7.498 -7.889 -3.928 1.00 0.00 N ATOM 722 CA LYS A 57 6.253 -8.448 -4.533 1.00 0.00 C ATOM 723 C LYS A 57 5.472 -9.225 -3.469 1.00 0.00 C ATOM 724 O LYS A 57 4.255 -9.265 -3.477 1.00 0.00 O ATOM 725 CB LYS A 57 6.631 -9.400 -5.673 1.00 0.00 C ATOM 726 CG LYS A 57 7.221 -8.608 -6.844 1.00 0.00 C ATOM 727 CD LYS A 57 7.575 -9.568 -7.985 1.00 0.00 C ATOM 728 CE LYS A 57 8.147 -8.778 -9.165 1.00 0.00 C ATOM 729 NZ LYS A 57 8.461 -9.716 -10.283 1.00 0.00 N ATOM 0 H LYS A 57 8.364 -8.198 -4.370 1.00 0.00 H new ATOM 0 HA LYS A 57 5.637 -7.635 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.354 -10.135 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.751 -9.952 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.505 -7.863 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.111 -8.068 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.302 -10.304 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.688 -10.118 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.430 -8.027 -9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.047 -8.246 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.850 -9.181 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.160 -10.416 -9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.592 -10.205 -10.581 1.00 0.00 H new ATOM 743 N ASN A 58 6.166 -9.834 -2.548 1.00 0.00 N ATOM 744 CA ASN A 58 5.477 -10.609 -1.475 1.00 0.00 C ATOM 745 C ASN A 58 4.609 -9.660 -0.637 1.00 0.00 C ATOM 746 O ASN A 58 3.511 -9.996 -0.232 1.00 0.00 O ATOM 747 CB ASN A 58 6.524 -11.258 -0.567 1.00 0.00 C ATOM 748 CG ASN A 58 7.426 -12.181 -1.392 1.00 0.00 C ATOM 749 OD1 ASN A 58 8.579 -12.381 -1.060 1.00 0.00 O ATOM 750 ND2 ASN A 58 6.945 -12.757 -2.458 1.00 0.00 N ATOM 0 H ASN A 58 7.184 -9.829 -2.491 1.00 0.00 H new ATOM 0 HA ASN A 58 4.851 -11.378 -1.928 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.123 -10.489 -0.080 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.032 -11.826 0.223 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.536 -13.376 -3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.978 -12.589 -2.736 1.00 0.00 H new ATOM 757 N LEU A 59 5.099 -8.477 -0.377 1.00 0.00 N ATOM 758 CA LEU A 59 4.317 -7.500 0.438 1.00 0.00 C ATOM 759 C LEU A 59 3.305 -6.783 -0.459 1.00 0.00 C ATOM 760 O LEU A 59 3.497 -5.642 -0.849 1.00 0.00 O ATOM 761 CB LEU A 59 5.265 -6.473 1.060 1.00 0.00 C ATOM 762 CG LEU A 59 6.341 -7.188 1.890 1.00 0.00 C ATOM 763 CD1 LEU A 59 7.297 -6.148 2.482 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.682 -7.987 3.028 1.00 0.00 C ATOM 0 H LEU A 59 6.009 -8.144 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 59 3.790 -8.031 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.734 -5.877 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.704 -5.784 1.692 1.00 0.00 H new ATOM 0 HG LEU A 59 6.894 -7.873 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.063 -6.652 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.770 -5.588 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.739 -5.463 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.452 -8.491 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.124 -7.309 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.003 -8.728 2.606 1.00 0.00 H new ATOM 776 N SER A 60 2.236 -7.457 -0.800 1.00 0.00 N ATOM 777 CA SER A 60 1.198 -6.844 -1.684 1.00 0.00 C ATOM 778 C SER A 60 0.016 -6.347 -0.854 1.00 0.00 C ATOM 779 O SER A 60 -0.195 -6.770 0.269 1.00 0.00 O ATOM 780 CB SER A 60 0.705 -7.890 -2.683 1.00 0.00 C ATOM 781 OG SER A 60 1.774 -8.254 -3.543 1.00 0.00 O ATOM 0 H SER A 60 2.036 -8.412 -0.502 1.00 0.00 H new ATOM 0 HA SER A 60 1.640 -5.999 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.332 -8.768 -2.155 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.126 -7.491 -3.265 1.00 0.00 H new ATOM 0 HG SER A 60 2.495 -8.657 -3.016 1.00 0.00 H new ATOM 787 N PHE A 61 -0.753 -5.450 -1.405 1.00 0.00 N ATOM 788 CA PHE A 61 -1.930 -4.901 -0.672 1.00 0.00 C ATOM 789 C PHE A 61 -3.053 -4.586 -1.658 1.00 0.00 C ATOM 790 O PHE A 61 -2.815 -4.261 -2.814 1.00 0.00 O ATOM 791 CB PHE A 61 -1.530 -3.620 0.061 1.00 0.00 C ATOM 792 CG PHE A 61 -1.052 -2.583 -0.934 1.00 0.00 C ATOM 793 CD1 PHE A 61 -1.974 -1.745 -1.572 1.00 0.00 C ATOM 794 CD2 PHE A 61 0.316 -2.457 -1.209 1.00 0.00 C ATOM 795 CE1 PHE A 61 -1.529 -0.781 -2.485 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.761 -1.491 -2.121 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.163 -0.654 -2.759 1.00 0.00 C ATOM 0 H PHE A 61 -0.616 -5.069 -2.341 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.276 -5.642 0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.380 -3.232 0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.742 -3.835 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.029 -1.842 -1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.027 -3.104 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.241 -0.135 -2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.816 -1.392 -2.332 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.179 0.090 -3.463 1.00 0.00 H new ATOM 807 N THR A 62 -4.275 -4.681 -1.202 1.00 0.00 N ATOM 808 CA THR A 62 -5.449 -4.393 -2.082 1.00 0.00 C ATOM 809 C THR A 62 -6.410 -3.447 -1.368 1.00 0.00 C ATOM 810 O THR A 62 -6.704 -3.616 -0.203 1.00 0.00 O ATOM 811 CB THR A 62 -6.171 -5.699 -2.415 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.317 -6.513 -3.204 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.464 -5.402 -3.184 1.00 0.00 C ATOM 0 H THR A 62 -4.513 -4.949 -0.247 1.00 0.00 H new ATOM 0 HA THR A 62 -5.101 -3.924 -3.003 1.00 0.00 H new ATOM 0 HB THR A 62 -6.425 -6.220 -1.492 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.200 -6.105 -4.087 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.972 -6.338 -3.417 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.116 -4.778 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.225 -4.879 -4.110 1.00 0.00 H new ATOM 821 N ALA A 63 -6.897 -2.454 -2.065 1.00 0.00 N ATOM 822 CA ALA A 63 -7.846 -1.477 -1.447 1.00 0.00 C ATOM 823 C ALA A 63 -9.036 -1.257 -2.386 1.00 0.00 C ATOM 824 O ALA A 63 -8.906 -1.279 -3.596 1.00 0.00 O ATOM 825 CB ALA A 63 -7.126 -0.148 -1.205 1.00 0.00 C ATOM 0 H ALA A 63 -6.677 -2.275 -3.045 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.205 -1.870 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.818 0.564 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.282 -0.308 -0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.765 0.248 -2.154 1.00 0.00 H new ATOM 831 N GLY A 64 -10.191 -1.045 -1.823 1.00 0.00 N ATOM 832 CA GLY A 64 -11.414 -0.825 -2.646 1.00 0.00 C ATOM 833 C GLY A 64 -11.640 0.665 -2.855 1.00 0.00 C ATOM 834 O GLY A 64 -11.973 1.383 -1.929 1.00 0.00 O ATOM 0 H GLY A 64 -10.343 -1.014 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.308 -1.324 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.279 -1.267 -2.152 1.00 0.00 H new ATOM 838 N LYS A 65 -11.476 1.116 -4.076 1.00 0.00 N ATOM 839 CA LYS A 65 -11.682 2.561 -4.423 1.00 0.00 C ATOM 840 C LYS A 65 -11.431 3.463 -3.207 1.00 0.00 C ATOM 841 O LYS A 65 -10.309 3.668 -2.789 1.00 0.00 O ATOM 842 CB LYS A 65 -13.122 2.760 -4.922 1.00 0.00 C ATOM 843 CG LYS A 65 -14.092 1.906 -4.090 1.00 0.00 C ATOM 844 CD LYS A 65 -15.528 2.124 -4.579 1.00 0.00 C ATOM 845 CE LYS A 65 -15.987 3.553 -4.259 1.00 0.00 C ATOM 846 NZ LYS A 65 -17.474 3.612 -4.274 1.00 0.00 N ATOM 0 H LYS A 65 -11.202 0.530 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.972 2.836 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.398 3.812 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.192 2.483 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.826 0.852 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.013 2.172 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.584 1.948 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.195 1.405 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.610 3.857 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.577 4.250 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.785 4.580 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.823 3.339 -5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.855 2.958 -3.560 1.00 0.00 H new ATOM 860 N ASP A 66 -12.479 4.003 -2.649 1.00 0.00 N ATOM 861 CA ASP A 66 -12.337 4.901 -1.469 1.00 0.00 C ATOM 862 C ASP A 66 -11.893 4.084 -0.249 1.00 0.00 C ATOM 863 O ASP A 66 -12.365 4.277 0.857 1.00 0.00 O ATOM 864 CB ASP A 66 -13.683 5.573 -1.192 1.00 0.00 C ATOM 865 CG ASP A 66 -13.960 6.618 -2.280 1.00 0.00 C ATOM 866 OD1 ASP A 66 -13.028 6.975 -2.984 1.00 0.00 O ATOM 867 OD2 ASP A 66 -15.098 7.045 -2.392 1.00 0.00 O ATOM 0 H ASP A 66 -13.438 3.859 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.585 5.664 -1.671 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.478 4.828 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -13.671 6.047 -0.211 1.00 0.00 H new ATOM 872 N VAL A 67 -10.972 3.180 -0.453 1.00 0.00 N ATOM 873 CA VAL A 67 -10.463 2.344 0.670 1.00 0.00 C ATOM 874 C VAL A 67 -11.635 1.715 1.424 1.00 0.00 C ATOM 875 O VAL A 67 -11.618 1.566 2.633 1.00 0.00 O ATOM 876 CB VAL A 67 -9.624 3.215 1.617 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.670 2.327 2.424 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.804 4.211 0.790 1.00 0.00 C ATOM 0 H VAL A 67 -10.547 2.984 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.837 1.545 0.273 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.285 3.752 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.076 2.947 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.247 1.610 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.008 1.792 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.206 4.832 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.145 3.667 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.477 4.844 0.211 1.00 0.00 H new ATOM 888 N LYS A 68 -12.647 1.328 0.702 1.00 0.00 N ATOM 889 CA LYS A 68 -13.829 0.689 1.342 1.00 0.00 C ATOM 890 C LYS A 68 -13.406 -0.626 1.985 1.00 0.00 C ATOM 891 O LYS A 68 -13.815 -0.951 3.085 1.00 0.00 O ATOM 892 CB LYS A 68 -14.883 0.421 0.264 1.00 0.00 C ATOM 893 CG LYS A 68 -15.480 1.751 -0.227 1.00 0.00 C ATOM 894 CD LYS A 68 -16.615 2.192 0.706 1.00 0.00 C ATOM 895 CE LYS A 68 -17.253 3.470 0.173 1.00 0.00 C ATOM 896 NZ LYS A 68 -16.308 4.608 0.353 1.00 0.00 N ATOM 0 H LYS A 68 -12.707 1.427 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.242 1.344 2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.433 -0.116 -0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.672 -0.216 0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.705 2.517 -0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.857 1.637 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.364 1.404 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.228 2.359 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.502 3.353 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.186 3.671 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.636 5.212 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.360 4.241 0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.267 5.167 -0.523 1.00 0.00 H new ATOM 910 N ILE A 69 -12.586 -1.383 1.309 1.00 0.00 N ATOM 911 CA ILE A 69 -12.122 -2.685 1.873 1.00 0.00 C ATOM 912 C ILE A 69 -10.621 -2.819 1.659 1.00 0.00 C ATOM 913 O ILE A 69 -10.123 -2.601 0.572 1.00 0.00 O ATOM 914 CB ILE A 69 -12.856 -3.846 1.187 1.00 0.00 C ATOM 915 CG1 ILE A 69 -12.628 -5.133 1.992 1.00 0.00 C ATOM 916 CG2 ILE A 69 -12.333 -4.036 -0.240 1.00 0.00 C ATOM 917 CD1 ILE A 69 -13.301 -5.037 3.373 1.00 0.00 C ATOM 0 H ILE A 69 -12.215 -1.156 0.386 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.340 -2.716 2.940 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.921 -3.619 1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.029 -5.986 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.559 -5.307 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.862 -4.862 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.498 -3.123 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.266 -4.258 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -13.127 -5.959 3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -12.880 -4.197 3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.373 -4.887 3.246 1.00 0.00 H new ATOM 929 N PHE A 70 -9.903 -3.172 2.692 1.00 0.00 N ATOM 930 CA PHE A 70 -8.420 -3.325 2.579 1.00 0.00 C ATOM 931 C PHE A 70 -7.999 -4.725 3.026 1.00 0.00 C ATOM 932 O PHE A 70 -8.427 -5.221 4.051 1.00 0.00 O ATOM 933 CB PHE A 70 -7.729 -2.270 3.451 1.00 0.00 C ATOM 934 CG PHE A 70 -8.495 -2.088 4.740 1.00 0.00 C ATOM 935 CD1 PHE A 70 -8.199 -2.880 5.855 1.00 0.00 C ATOM 936 CD2 PHE A 70 -9.489 -1.105 4.822 1.00 0.00 C ATOM 937 CE1 PHE A 70 -8.906 -2.696 7.052 1.00 0.00 C ATOM 938 CE2 PHE A 70 -10.199 -0.923 6.017 1.00 0.00 C ATOM 939 CZ PHE A 70 -9.901 -1.715 7.134 1.00 0.00 C ATOM 0 H PHE A 70 -10.283 -3.363 3.619 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.125 -3.186 1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.705 -2.577 3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.672 -1.323 2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.427 -3.632 5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -9.709 -0.487 3.964 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.683 -3.311 7.911 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -10.974 -0.174 6.077 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.439 -1.568 8.059 1.00 0.00 H new ATOM 949 N SER A 71 -7.160 -5.357 2.249 1.00 0.00 N ATOM 950 CA SER A 71 -6.679 -6.734 2.585 1.00 0.00 C ATOM 951 C SER A 71 -5.152 -6.765 2.520 1.00 0.00 C ATOM 952 O SER A 71 -4.531 -6.005 1.792 1.00 0.00 O ATOM 953 CB SER A 71 -7.255 -7.735 1.588 1.00 0.00 C ATOM 954 OG SER A 71 -8.613 -7.985 1.913 1.00 0.00 O ATOM 0 H SER A 71 -6.781 -4.974 1.383 1.00 0.00 H new ATOM 0 HA SER A 71 -7.007 -7.000 3.590 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.177 -7.343 0.574 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.685 -8.664 1.615 1.00 0.00 H new ATOM 0 HG SER A 71 -8.989 -8.626 1.275 1.00 0.00 H new ATOM 960 N SER A 72 -4.551 -7.642 3.282 1.00 0.00 N ATOM 961 CA SER A 72 -3.059 -7.749 3.306 1.00 0.00 C ATOM 962 C SER A 72 -2.632 -9.206 3.122 1.00 0.00 C ATOM 963 O SER A 72 -3.349 -10.132 3.456 1.00 0.00 O ATOM 964 CB SER A 72 -2.537 -7.237 4.646 1.00 0.00 C ATOM 965 OG SER A 72 -2.703 -5.830 4.700 1.00 0.00 O ATOM 0 H SER A 72 -5.035 -8.297 3.896 1.00 0.00 H new ATOM 0 HA SER A 72 -2.647 -7.151 2.493 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.076 -7.711 5.466 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.485 -7.497 4.764 1.00 0.00 H new ATOM 0 HG SER A 72 -2.371 -5.494 5.559 1.00 0.00 H new ATOM 971 N SER A 73 -1.464 -9.400 2.581 1.00 0.00 N ATOM 972 CA SER A 73 -0.950 -10.777 2.341 1.00 0.00 C ATOM 973 C SER A 73 -0.412 -11.386 3.638 1.00 0.00 C ATOM 974 O SER A 73 -0.306 -10.731 4.659 1.00 0.00 O ATOM 975 CB SER A 73 0.172 -10.721 1.302 1.00 0.00 C ATOM 976 OG SER A 73 1.107 -9.713 1.670 1.00 0.00 O ATOM 0 H SER A 73 -0.834 -8.652 2.290 1.00 0.00 H new ATOM 0 HA SER A 73 -1.767 -11.399 1.977 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.670 -11.688 1.236 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.241 -10.507 0.316 1.00 0.00 H new ATOM 0 HG SER A 73 1.893 -9.768 1.088 1.00 0.00 H new ATOM 982 N GLU A 74 -0.077 -12.645 3.590 1.00 0.00 N ATOM 983 CA GLU A 74 0.455 -13.340 4.799 1.00 0.00 C ATOM 984 C GLU A 74 1.719 -12.632 5.293 1.00 0.00 C ATOM 985 O GLU A 74 1.901 -12.404 6.476 1.00 0.00 O ATOM 986 CB GLU A 74 0.801 -14.786 4.427 1.00 0.00 C ATOM 987 CG GLU A 74 1.231 -15.550 5.680 1.00 0.00 C ATOM 988 CD GLU A 74 1.523 -17.011 5.328 1.00 0.00 C ATOM 989 OE1 GLU A 74 1.144 -17.431 4.247 1.00 0.00 O ATOM 990 OE2 GLU A 74 2.121 -17.688 6.150 1.00 0.00 O ATOM 0 H GLU A 74 -0.149 -13.229 2.757 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.297 -13.323 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.062 -15.271 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.602 -14.800 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.118 -15.087 6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.446 -15.499 6.434 1.00 0.00 H new ATOM 997 N GLU A 75 2.592 -12.282 4.391 1.00 0.00 N ATOM 998 CA GLU A 75 3.850 -11.584 4.790 1.00 0.00 C ATOM 999 C GLU A 75 3.521 -10.163 5.263 1.00 0.00 C ATOM 1000 O GLU A 75 4.125 -9.638 6.181 1.00 0.00 O ATOM 1001 CB GLU A 75 4.786 -11.512 3.586 1.00 0.00 C ATOM 1002 CG GLU A 75 5.216 -12.924 3.177 1.00 0.00 C ATOM 1003 CD GLU A 75 6.075 -13.545 4.278 1.00 0.00 C ATOM 1004 OE1 GLU A 75 6.598 -12.796 5.088 1.00 0.00 O ATOM 1005 OE2 GLU A 75 6.201 -14.758 4.292 1.00 0.00 O ATOM 0 H GLU A 75 2.490 -12.449 3.390 1.00 0.00 H new ATOM 0 HA GLU A 75 4.331 -12.133 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.284 -11.019 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.662 -10.912 3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.337 -13.543 2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.777 -12.887 2.243 1.00 0.00 H new ATOM 1012 N LEU A 76 2.568 -9.539 4.631 1.00 0.00 N ATOM 1013 CA LEU A 76 2.184 -8.151 5.020 1.00 0.00 C ATOM 1014 C LEU A 76 1.245 -8.202 6.237 1.00 0.00 C ATOM 1015 O LEU A 76 1.018 -7.215 6.913 1.00 0.00 O ATOM 1016 CB LEU A 76 1.468 -7.487 3.836 1.00 0.00 C ATOM 1017 CG LEU A 76 1.213 -6.000 4.126 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.549 -5.239 4.236 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.369 -5.400 2.993 1.00 0.00 C ATOM 0 H LEU A 76 2.034 -9.932 3.856 1.00 0.00 H new ATOM 0 HA LEU A 76 3.072 -7.576 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.072 -7.589 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.522 -7.994 3.645 1.00 0.00 H new ATOM 0 HG LEU A 76 0.679 -5.908 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.353 -4.187 4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.143 -5.662 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.097 -5.329 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.186 -4.345 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.903 -5.501 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.583 -5.928 2.930 1.00 0.00 H new ATOM 1031 N ASP A 77 0.695 -9.351 6.513 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.242 -9.482 7.674 1.00 0.00 C ATOM 1033 C ASP A 77 0.474 -9.140 8.986 1.00 0.00 C ATOM 1034 O ASP A 77 -0.032 -8.403 9.813 1.00 0.00 O ATOM 1035 CB ASP A 77 -0.743 -10.923 7.751 1.00 0.00 C ATOM 1036 CG ASP A 77 -1.714 -11.067 8.925 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -1.876 -10.103 9.654 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -2.278 -12.138 9.072 1.00 0.00 O ATOM 0 H ASP A 77 0.852 -10.210 5.986 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.075 -8.793 7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.239 -11.196 6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.098 -11.605 7.876 1.00 0.00 H new ATOM 1043 N LYS A 78 1.642 -9.686 9.185 1.00 0.00 N ATOM 1044 CA LYS A 78 2.394 -9.419 10.449 1.00 0.00 C ATOM 1045 C LYS A 78 2.681 -7.918 10.600 1.00 0.00 C ATOM 1046 O LYS A 78 2.524 -7.347 11.665 1.00 0.00 O ATOM 1047 CB LYS A 78 3.719 -10.195 10.427 1.00 0.00 C ATOM 1048 CG LYS A 78 4.395 -10.055 9.057 1.00 0.00 C ATOM 1049 CD LYS A 78 5.774 -10.721 9.099 1.00 0.00 C ATOM 1050 CE LYS A 78 6.445 -10.610 7.728 1.00 0.00 C ATOM 1051 NZ LYS A 78 6.591 -9.173 7.359 1.00 0.00 N ATOM 0 H LYS A 78 2.111 -10.308 8.526 1.00 0.00 H new ATOM 0 HA LYS A 78 1.787 -9.745 11.294 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.381 -9.819 11.207 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.536 -11.247 10.644 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.779 -10.518 8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.496 -9.002 8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.395 -10.245 9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.673 -11.769 9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.423 -11.092 7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.850 -11.130 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.390 -9.063 6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.718 -8.842 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.767 -8.611 8.216 1.00 0.00 H new ATOM 1065 N MET A 79 3.098 -7.280 9.546 1.00 0.00 N ATOM 1066 CA MET A 79 3.402 -5.823 9.620 1.00 0.00 C ATOM 1067 C MET A 79 2.110 -5.039 9.875 1.00 0.00 C ATOM 1068 O MET A 79 2.090 -4.070 10.612 1.00 0.00 O ATOM 1069 CB MET A 79 4.012 -5.367 8.294 1.00 0.00 C ATOM 1070 CG MET A 79 5.453 -5.871 8.193 1.00 0.00 C ATOM 1071 SD MET A 79 6.144 -5.399 6.587 1.00 0.00 S ATOM 1072 CE MET A 79 6.188 -3.611 6.865 1.00 0.00 C ATOM 0 H MET A 79 3.243 -7.705 8.630 1.00 0.00 H new ATOM 0 HA MET A 79 4.104 -5.641 10.433 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.423 -5.749 7.460 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.991 -4.279 8.227 1.00 0.00 H new ATOM 0 HG2 MET A 79 6.055 -5.449 8.998 1.00 0.00 H new ATOM 0 HG3 MET A 79 5.480 -6.955 8.309 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.011 -3.175 6.299 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.247 -3.169 6.537 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.332 -3.411 7.927 1.00 0.00 H new ATOM 1082 N PHE A 80 1.035 -5.449 9.259 1.00 0.00 N ATOM 1083 CA PHE A 80 -0.254 -4.723 9.446 1.00 0.00 C ATOM 1084 C PHE A 80 -0.845 -5.052 10.818 1.00 0.00 C ATOM 1085 O PHE A 80 -1.328 -6.143 11.061 1.00 0.00 O ATOM 1086 CB PHE A 80 -1.237 -5.138 8.352 1.00 0.00 C ATOM 1087 CG PHE A 80 -2.545 -4.415 8.550 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -2.673 -3.082 8.142 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -3.630 -5.072 9.141 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -3.886 -2.408 8.324 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -4.843 -4.396 9.324 1.00 0.00 C ATOM 1092 CZ PHE A 80 -4.969 -3.064 8.915 1.00 0.00 C ATOM 0 H PHE A 80 0.993 -6.255 8.635 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.072 -3.650 9.385 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.825 -4.904 7.370 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.397 -6.216 8.382 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.836 -2.574 7.687 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.532 -6.100 9.456 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.985 -1.380 8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.680 -4.903 9.781 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.904 -2.542 9.056 1.00 0.00 H new ATOM 1102 N GLN A 81 -0.809 -4.103 11.709 1.00 0.00 N ATOM 1103 CA GLN A 81 -1.362 -4.309 13.077 1.00 0.00 C ATOM 1104 C GLN A 81 -1.975 -2.994 13.559 1.00 0.00 C ATOM 1105 O GLN A 81 -2.377 -2.862 14.696 1.00 0.00 O ATOM 1106 CB GLN A 81 -0.239 -4.726 14.027 1.00 0.00 C ATOM 1107 CG GLN A 81 0.231 -6.138 13.671 1.00 0.00 C ATOM 1108 CD GLN A 81 1.364 -6.554 14.609 1.00 0.00 C ATOM 1109 OE1 GLN A 81 1.727 -5.823 15.508 1.00 0.00 O ATOM 1110 NE2 GLN A 81 1.940 -7.713 14.436 1.00 0.00 N ATOM 0 H GLN A 81 -0.413 -3.177 11.545 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.121 -5.091 13.057 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.593 -4.025 13.954 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.591 -4.697 15.058 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.599 -6.840 13.753 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.572 -6.168 12.636 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.635 -8.327 13.681 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.695 -8.005 15.056 1.00 0.00 H new ATOM 1119 N GLU A 82 -2.050 -2.015 12.684 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.642 -0.696 13.055 1.00 0.00 C ATOM 1121 C GLU A 82 -3.807 -0.394 12.106 1.00 0.00 C ATOM 1122 O GLU A 82 -3.647 0.293 11.115 1.00 0.00 O ATOM 1123 CB GLU A 82 -1.578 0.397 12.911 1.00 0.00 C ATOM 1124 CG GLU A 82 -2.214 1.756 13.216 1.00 0.00 C ATOM 1125 CD GLU A 82 -1.120 2.784 13.508 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -0.462 2.647 14.526 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -0.961 3.694 12.712 1.00 0.00 O ATOM 0 H GLU A 82 -1.722 -2.079 11.720 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.997 -0.725 14.085 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.749 0.208 13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.167 0.392 11.901 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.818 2.084 12.370 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.884 1.671 14.072 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.970 -0.924 12.392 1.00 0.00 N ATOM 1135 CA PRO A 83 -6.176 -0.722 11.547 1.00 0.00 C ATOM 1136 C PRO A 83 -6.928 0.577 11.870 1.00 0.00 C ATOM 1137 O PRO A 83 -7.408 0.790 12.966 1.00 0.00 O ATOM 1138 CB PRO A 83 -7.031 -1.954 11.865 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.668 -2.337 13.276 1.00 0.00 C ATOM 1140 CD PRO A 83 -5.259 -1.780 13.551 1.00 0.00 C ATOM 0 HA PRO A 83 -5.923 -0.622 10.491 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.094 -1.728 11.780 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.822 -2.768 11.171 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.389 -1.927 13.983 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.684 -3.420 13.397 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.231 -1.212 14.481 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.526 -2.582 13.645 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.018 1.443 10.900 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.722 2.745 11.086 1.00 0.00 C ATOM 1150 C ARG A 84 -9.231 2.564 10.947 1.00 0.00 C ATOM 1151 O ARG A 84 -9.718 1.554 10.474 1.00 0.00 O ATOM 1152 CB ARG A 84 -7.234 3.742 10.033 1.00 0.00 C ATOM 1153 CG ARG A 84 -5.764 4.112 10.292 1.00 0.00 C ATOM 1154 CD ARG A 84 -5.664 5.165 11.405 1.00 0.00 C ATOM 1155 NE ARG A 84 -4.273 5.680 11.477 1.00 0.00 N ATOM 1156 CZ ARG A 84 -3.960 6.621 12.329 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -4.867 7.119 13.127 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -2.735 7.057 12.385 1.00 0.00 N ATOM 0 H ARG A 84 -6.627 1.302 9.969 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.503 3.121 12.086 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.338 3.310 9.037 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.852 4.639 10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.203 3.221 10.574 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.313 4.497 9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.356 5.984 11.209 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.951 4.727 12.361 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.558 5.298 10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.826 6.774 13.088 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.616 7.853 13.789 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.025 6.665 11.766 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.485 7.791 13.048 1.00 0.00 H new ATOM 1172 N LYS A 85 -9.964 3.555 11.363 1.00 0.00 N ATOM 1173 CA LYS A 85 -11.450 3.491 11.278 1.00 0.00 C ATOM 1174 C LYS A 85 -11.917 4.006 9.909 1.00 0.00 C ATOM 1175 O LYS A 85 -13.086 3.933 9.573 1.00 0.00 O ATOM 1176 CB LYS A 85 -12.036 4.375 12.382 1.00 0.00 C ATOM 1177 CG LYS A 85 -11.672 3.795 13.754 1.00 0.00 C ATOM 1178 CD LYS A 85 -12.181 4.720 14.874 1.00 0.00 C ATOM 1179 CE LYS A 85 -13.659 4.435 15.160 1.00 0.00 C ATOM 1180 NZ LYS A 85 -13.823 3.001 15.532 1.00 0.00 N ATOM 0 H LYS A 85 -9.594 4.417 11.763 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.785 2.461 11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.650 5.391 12.292 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.119 4.435 12.277 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.109 2.803 13.865 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.591 3.678 13.832 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.592 4.568 15.778 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.053 5.762 14.582 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.015 5.075 15.968 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.262 4.666 14.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.445 2.927 16.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.244 2.482 14.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.894 2.593 15.759 1.00 0.00 H new ATOM 1194 N GLY A 86 -11.013 4.512 9.112 1.00 0.00 N ATOM 1195 CA GLY A 86 -11.407 5.013 7.759 1.00 0.00 C ATOM 1196 C GLY A 86 -10.422 6.081 7.268 1.00 0.00 C ATOM 1197 O GLY A 86 -9.628 6.622 8.027 1.00 0.00 O ATOM 0 H GLY A 86 -10.022 4.601 9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.434 4.184 7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.413 5.430 7.799 1.00 0.00 H new ATOM 1201 N TYR A 87 -10.484 6.389 5.997 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.576 7.423 5.418 1.00 0.00 C ATOM 1203 C TYR A 87 -9.863 8.772 6.082 1.00 0.00 C ATOM 1204 O TYR A 87 -9.038 9.663 6.086 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.823 7.541 3.910 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.981 8.666 3.355 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -9.482 9.974 3.345 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -7.695 8.407 2.862 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -8.700 11.020 2.842 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -6.914 9.454 2.357 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.414 10.762 2.352 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.643 11.795 1.859 1.00 0.00 O ATOM 0 H TYR A 87 -11.130 5.965 5.332 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.539 7.135 5.594 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.571 6.604 3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.879 7.731 3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -10.472 10.175 3.726 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.306 7.400 2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.089 12.027 2.832 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.926 9.253 1.971 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.778 11.444 1.560 1.00 0.00 H new ATOM 1222 N ASP A 88 -11.037 8.925 6.634 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.394 10.214 7.298 1.00 0.00 C ATOM 1224 C ASP A 88 -10.806 10.253 8.716 1.00 0.00 C ATOM 1225 O ASP A 88 -10.545 11.307 9.267 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.916 10.331 7.386 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.496 10.520 5.984 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.723 10.768 5.074 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.704 10.413 5.842 1.00 0.00 O ATOM 0 H ASP A 88 -11.766 8.212 6.654 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.988 11.041 6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.334 9.436 7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.190 11.173 8.021 1.00 0.00 H new ATOM 1234 N GLU A 89 -10.609 9.109 9.309 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.051 9.060 10.694 1.00 0.00 C ATOM 1236 C GLU A 89 -8.562 9.428 10.678 1.00 0.00 C ATOM 1237 O GLU A 89 -8.076 10.130 11.545 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.212 7.647 11.249 1.00 0.00 C ATOM 1239 CG GLU A 89 -9.870 7.630 12.742 1.00 0.00 C ATOM 1240 CD GLU A 89 -10.974 8.342 13.525 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -11.983 8.673 12.926 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -10.794 8.541 14.718 1.00 0.00 O ATOM 0 H GLU A 89 -10.811 8.200 8.894 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.588 9.773 11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.235 7.302 11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.561 6.959 10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.767 6.603 13.091 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.913 8.122 12.913 1.00 0.00 H new ATOM 1249 N ILE A 90 -7.836 8.948 9.702 1.00 0.00 N ATOM 1250 CA ILE A 90 -6.369 9.255 9.634 1.00 0.00 C ATOM 1251 C ILE A 90 -6.145 10.770 9.520 1.00 0.00 C ATOM 1252 O ILE A 90 -5.103 11.288 9.881 1.00 0.00 O ATOM 1253 CB ILE A 90 -5.749 8.547 8.424 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.599 8.809 7.175 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -5.689 7.043 8.693 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.889 8.253 5.933 1.00 0.00 C ATOM 0 H ILE A 90 -8.191 8.358 8.949 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.892 8.898 10.547 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.742 8.931 8.259 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.577 8.341 7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.769 9.879 7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.248 6.537 7.834 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.079 6.855 9.577 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.697 6.663 8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.499 8.443 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.921 8.742 5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.742 7.179 6.048 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.116 11.480 9.031 1.00 0.00 N ATOM 1269 CA LEU A 91 -6.977 12.963 8.892 1.00 0.00 C ATOM 1270 C LEU A 91 -6.869 13.610 10.280 1.00 0.00 C ATOM 1271 O LEU A 91 -6.195 14.607 10.461 1.00 0.00 O ATOM 1272 CB LEU A 91 -8.206 13.515 8.173 1.00 0.00 C ATOM 1273 CG LEU A 91 -8.425 12.746 6.867 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -9.683 13.271 6.168 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -7.210 12.929 5.945 1.00 0.00 C ATOM 0 H LEU A 91 -8.009 11.100 8.717 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.077 13.190 8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.085 13.425 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.071 14.576 7.964 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.549 11.686 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.838 12.723 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.546 13.132 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.561 14.332 5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.371 12.380 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.079 13.988 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.317 12.549 6.441 1.00 0.00 H new ATOM 1287 N GLU A 92 -7.538 13.049 11.251 1.00 0.00 N ATOM 1288 CA GLU A 92 -7.502 13.622 12.633 1.00 0.00 C ATOM 1289 C GLU A 92 -6.048 13.770 13.103 1.00 0.00 C ATOM 1290 O GLU A 92 -5.752 14.497 14.034 1.00 0.00 O ATOM 1291 CB GLU A 92 -8.246 12.684 13.588 1.00 0.00 C ATOM 1292 CG GLU A 92 -8.328 13.322 14.977 1.00 0.00 C ATOM 1293 CD GLU A 92 -9.180 12.446 15.901 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -8.961 11.247 15.921 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -10.038 12.994 16.577 1.00 0.00 O ATOM 0 H GLU A 92 -8.113 12.213 11.148 1.00 0.00 H new ATOM 0 HA GLU A 92 -7.979 14.602 12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.248 12.484 13.209 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.730 11.726 13.647 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.327 13.439 15.393 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.762 14.319 14.904 1.00 0.00 H new ATOM 1302 N HIS A 93 -5.143 13.089 12.459 1.00 0.00 N ATOM 1303 CA HIS A 93 -3.708 13.183 12.858 1.00 0.00 C ATOM 1304 C HIS A 93 -3.250 14.645 12.794 1.00 0.00 C ATOM 1305 O HIS A 93 -2.506 15.114 13.635 1.00 0.00 O ATOM 1306 CB HIS A 93 -2.862 12.349 11.896 1.00 0.00 C ATOM 1307 CG HIS A 93 -1.429 12.359 12.348 1.00 0.00 C ATOM 1308 ND1 HIS A 93 -0.543 13.360 11.980 1.00 0.00 N ATOM 1309 CD2 HIS A 93 -0.713 11.498 13.144 1.00 0.00 C ATOM 1310 CE1 HIS A 93 0.645 13.079 12.550 1.00 0.00 C ATOM 1311 NE2 HIS A 93 0.596 11.955 13.270 1.00 0.00 N ATOM 0 H HIS A 93 -5.334 12.469 11.671 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.589 12.809 13.875 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -3.236 11.326 11.860 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.938 12.751 10.886 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -1.106 10.603 13.602 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.530 13.689 12.438 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.355 11.524 13.799 1.00 0.00 H new ATOM 1319 N HIS A 94 -3.690 15.366 11.798 1.00 0.00 N ATOM 1320 CA HIS A 94 -3.287 16.798 11.659 1.00 0.00 C ATOM 1321 C HIS A 94 -4.398 17.689 12.227 1.00 0.00 C ATOM 1322 O HIS A 94 -5.102 18.368 11.504 1.00 0.00 O ATOM 1323 CB HIS A 94 -3.057 17.120 10.181 1.00 0.00 C ATOM 1324 CG HIS A 94 -1.813 16.415 9.709 1.00 0.00 C ATOM 1325 ND1 HIS A 94 -1.811 15.074 9.356 1.00 0.00 N ATOM 1326 CD2 HIS A 94 -0.521 16.848 9.541 1.00 0.00 C ATOM 1327 CE1 HIS A 94 -0.554 14.752 8.997 1.00 0.00 C ATOM 1328 NE2 HIS A 94 0.273 15.798 9.092 1.00 0.00 N ATOM 0 H HIS A 94 -4.316 15.023 11.069 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.364 16.981 12.209 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.916 16.803 9.589 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -2.954 18.196 10.043 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.173 17.853 9.729 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.251 13.768 8.672 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.271 15.821 8.881 1.00 0.00 H new ATOM 1336 N HIS A 95 -4.548 17.685 13.523 1.00 0.00 N ATOM 1337 CA HIS A 95 -5.596 18.526 14.172 1.00 0.00 C ATOM 1338 C HIS A 95 -5.096 19.972 14.266 1.00 0.00 C ATOM 1339 O HIS A 95 -5.806 20.866 14.681 1.00 0.00 O ATOM 1340 CB HIS A 95 -5.872 17.986 15.577 1.00 0.00 C ATOM 1341 CG HIS A 95 -7.137 18.593 16.113 1.00 0.00 C ATOM 1342 ND1 HIS A 95 -7.174 19.862 16.666 1.00 0.00 N ATOM 1343 CD2 HIS A 95 -8.425 18.120 16.174 1.00 0.00 C ATOM 1344 CE1 HIS A 95 -8.445 20.108 17.033 1.00 0.00 C ATOM 1345 NE2 HIS A 95 -9.250 19.078 16.756 1.00 0.00 N ATOM 0 H HIS A 95 -3.984 17.130 14.167 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.513 18.497 13.583 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.962 16.900 15.549 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.037 18.220 16.237 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -6.382 20.495 16.775 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.749 17.151 15.823 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -8.775 21.027 17.495 1.00 0.00 H new ATOM 1353 N HIS A 96 -3.869 20.195 13.880 1.00 0.00 N ATOM 1354 CA HIS A 96 -3.295 21.573 13.935 1.00 0.00 C ATOM 1355 C HIS A 96 -4.211 22.549 13.186 1.00 0.00 C ATOM 1356 O HIS A 96 -4.942 23.322 13.780 1.00 0.00 O ATOM 1357 CB HIS A 96 -1.920 21.567 13.266 1.00 0.00 C ATOM 1358 CG HIS A 96 -1.010 20.610 13.986 1.00 0.00 C ATOM 1359 ND1 HIS A 96 -0.474 20.899 15.230 1.00 0.00 N ATOM 1360 CD2 HIS A 96 -0.532 19.366 13.651 1.00 0.00 C ATOM 1361 CE1 HIS A 96 0.287 19.853 15.597 1.00 0.00 C ATOM 1362 NE2 HIS A 96 0.288 18.891 14.671 1.00 0.00 N ATOM 0 H HIS A 96 -3.235 19.479 13.527 1.00 0.00 H new ATOM 0 HA HIS A 96 -3.206 21.886 14.975 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.015 21.276 12.220 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.494 22.570 13.280 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.758 18.838 12.737 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.832 19.798 16.528 1.00 0.00 H new ATOM 0 HE2 HIS A 96 0.783 18.000 14.704 1.00 0.00 H new ATOM 1370 N HIS A 97 -4.165 22.517 11.883 1.00 0.00 N ATOM 1371 CA HIS A 97 -5.022 23.434 11.076 1.00 0.00 C ATOM 1372 C HIS A 97 -6.498 23.146 11.366 1.00 0.00 C ATOM 1373 O HIS A 97 -7.301 24.044 11.535 1.00 0.00 O ATOM 1374 CB HIS A 97 -4.743 23.206 9.589 1.00 0.00 C ATOM 1375 CG HIS A 97 -5.591 24.138 8.772 1.00 0.00 C ATOM 1376 ND1 HIS A 97 -5.341 25.500 8.710 1.00 0.00 N ATOM 1377 CD2 HIS A 97 -6.693 23.924 7.982 1.00 0.00 C ATOM 1378 CE1 HIS A 97 -6.271 26.047 7.908 1.00 0.00 C ATOM 1379 NE2 HIS A 97 -7.122 25.131 7.438 1.00 0.00 N ATOM 0 H HIS A 97 -3.569 21.893 11.339 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.797 24.468 11.339 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -3.688 23.376 9.376 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.959 22.172 9.322 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.157 22.964 7.809 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.324 27.100 7.672 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -7.915 25.283 6.815 1.00 0.00 H new ATOM 1387 N HIS A 98 -6.857 21.895 11.417 1.00 0.00 N ATOM 1388 CA HIS A 98 -8.276 21.530 11.689 1.00 0.00 C ATOM 1389 C HIS A 98 -8.359 20.038 12.014 1.00 0.00 C ATOM 1390 O HIS A 98 -8.523 19.712 13.178 1.00 0.00 O ATOM 1391 CB HIS A 98 -9.131 21.836 10.455 1.00 0.00 C ATOM 1392 CG HIS A 98 -10.574 21.550 10.760 1.00 0.00 C ATOM 1393 ND1 HIS A 98 -11.123 20.286 10.616 1.00 0.00 N ATOM 1394 CD2 HIS A 98 -11.595 22.353 11.204 1.00 0.00 C ATOM 1395 CE1 HIS A 98 -12.420 20.365 10.968 1.00 0.00 C ATOM 1396 NE2 HIS A 98 -12.760 21.604 11.335 1.00 0.00 N ATOM 1397 OXT HIS A 98 -8.262 19.246 11.090 1.00 0.00 O ATOM 0 H HIS A 98 -6.226 21.105 11.281 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.647 22.109 12.535 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -9.010 22.880 10.165 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -8.800 21.231 9.611 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -11.507 23.408 11.419 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -13.103 19.528 10.955 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -13.676 21.930 11.644 1.00 0.00 H new TER 1405 HIS A 98