USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 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 24 ASN : amide:sc= 1.22 K(o=0.77,f=-0.95) USER MOD Set 1.2: A 117 ASN : amide:sc= -0.456 K(o=0.77,f=-0.95) USER MOD Set 2.1: A 48 HIS : no HE2:sc= -1.14 K(o=0.076,f=-3.2!) USER MOD Set 2.2: A 52 TYR OH : rot -34:sc= 1.22 USER MOD Set 3.1: A 28 TYR OH : rot 145:sc= 1.24 USER MOD Set 3.2: A 46 GLN : amide:sc= -1.37 K(o=-0.13,f=-2.9!) USER MOD Set 4.1: A 25 TYR OH : rot -130:sc= -3.1! USER MOD Set 4.2: A 115 HIS : no HD1:sc= -0.17 X(o=-3.3,f=-3.5) USER MOD Set 5.1: A 8 MET CE :methyl -143:sc= -6.7! (180deg=-13.3!) USER MOD Set 5.2: A 73 TYR OH : rot -59:sc= -0.145 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0885 X(o=-0.089,f=-0.074) USER MOD Single : A 6 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.5) USER MOD Single : A 10 LYS NZ :NH3+ -170:sc= 0.265 (180deg=0.232) USER MOD Single : A 12 LYS NZ :NH3+ 141:sc= -0.236 (180deg=-1.93!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0465 USER MOD Single : A 16 SER OG : rot 180:sc= -2.81! USER MOD Single : A 23 ASN : amide:sc= -0.19 K(o=-0.19,f=-3.5!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 50 ASN : amide:sc= -0.0982 K(o=-0.098,f=-2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= -0.032 (180deg=-0.0722) USER MOD Single : A 57 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0937) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0238 K(o=-0.024,f=-0.76) USER MOD Single : A 69 TYR OH : rot 108:sc= -3.37! USER MOD Single : A 70 THR OG1 : rot -58:sc= 1.27 USER MOD Single : A 71 ASN : amide:sc= -0.222 K(o=-0.22,f=-4!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 74 SER OG : rot -66:sc= 1.27 USER MOD Single : A 75 TYR OH : rot 155:sc= 0.698 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 73:sc= 0.328 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.183 F(o=-0.96,f=-0.18) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 167:sc= -0.668 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -3.01! C(o=-3!,f=-9.2!) USER MOD Single : A 89 ASN : amide:sc= -4.24! C(o=-4.2!,f=-20!) USER MOD Single : A 97 ASN : amide:sc=-0.000294 K(o=-0.00029,f=-3.1!) USER MOD Single : A 101 ASN : amide:sc= -0.0549 K(o=-0.055,f=-2!) USER MOD Single : A 107 SER OG : rot -47:sc= 1.21 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.709 F(o=-1.4,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 84.832 -7.563 -6.740 1.00 0.00 N ATOM 2 CA ALA A 1 84.764 -7.640 -5.251 1.00 0.00 C ATOM 3 C ALA A 1 84.493 -6.252 -4.660 1.00 0.00 C ATOM 4 O ALA A 1 83.360 -5.850 -4.490 1.00 0.00 O ATOM 5 CB ALA A 1 86.138 -8.152 -4.817 1.00 0.00 C ATOM 0 H1 ALA A 1 85.016 -8.510 -7.129 1.00 0.00 H new ATOM 0 H2 ALA A 1 83.928 -7.206 -7.111 1.00 0.00 H new ATOM 0 H3 ALA A 1 85.599 -6.919 -7.020 1.00 0.00 H new ATOM 0 HA ALA A 1 83.961 -8.292 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 1 86.168 -8.236 -3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 1 86.319 -9.130 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 1 86.907 -7.455 -5.148 1.00 0.00 H new ATOM 13 N LEU A 2 85.527 -5.518 -4.347 1.00 0.00 N ATOM 14 CA LEU A 2 85.334 -4.154 -3.769 1.00 0.00 C ATOM 15 C LEU A 2 84.748 -4.249 -2.356 1.00 0.00 C ATOM 16 O LEU A 2 85.349 -3.809 -1.396 1.00 0.00 O ATOM 17 CB LEU A 2 84.351 -3.453 -4.709 1.00 0.00 C ATOM 18 CG LEU A 2 84.716 -1.971 -4.813 1.00 0.00 C ATOM 19 CD1 LEU A 2 84.363 -1.450 -6.207 1.00 0.00 C ATOM 20 CD2 LEU A 2 83.935 -1.178 -3.762 1.00 0.00 C ATOM 0 H LEU A 2 86.499 -5.804 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 2 86.275 -3.611 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 2 84.381 -3.916 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 2 83.333 -3.563 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 2 85.786 -1.851 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 2 84.624 -0.394 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 2 84.919 -2.012 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 2 83.294 -1.572 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 2 84.195 -0.122 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 2 82.866 -1.301 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 2 84.188 -1.545 -2.767 1.00 0.00 H new ATOM 32 N TRP A 3 83.578 -4.811 -2.220 1.00 0.00 N ATOM 33 CA TRP A 3 82.958 -4.920 -0.867 1.00 0.00 C ATOM 34 C TRP A 3 83.912 -5.628 0.104 1.00 0.00 C ATOM 35 O TRP A 3 83.832 -5.454 1.304 1.00 0.00 O ATOM 36 CB TRP A 3 81.667 -5.726 -1.082 1.00 0.00 C ATOM 37 CG TRP A 3 81.939 -7.196 -0.983 1.00 0.00 C ATOM 38 CD1 TRP A 3 82.523 -7.947 -1.944 1.00 0.00 C ATOM 39 CD2 TRP A 3 81.647 -8.099 0.121 1.00 0.00 C ATOM 40 NE1 TRP A 3 82.608 -9.254 -1.500 1.00 0.00 N ATOM 41 CE2 TRP A 3 82.081 -9.398 -0.232 1.00 0.00 C ATOM 42 CE3 TRP A 3 81.053 -7.919 1.383 1.00 0.00 C ATOM 43 CZ2 TRP A 3 81.931 -10.480 0.634 1.00 0.00 C ATOM 44 CZ3 TRP A 3 80.900 -9.006 2.258 1.00 0.00 C ATOM 45 CH2 TRP A 3 81.340 -10.284 1.884 1.00 0.00 C ATOM 0 H TRP A 3 83.025 -5.199 -2.984 1.00 0.00 H new ATOM 0 HA TRP A 3 82.747 -3.946 -0.426 1.00 0.00 H new ATOM 0 HB2 TRP A 3 80.924 -5.438 -0.338 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.246 -5.494 -2.060 1.00 0.00 H new ATOM 0 HD1 TRP A 3 82.867 -7.585 -2.902 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.011 -10.018 -2.043 1.00 0.00 H new ATOM 0 HE3 TRP A 3 80.712 -6.938 1.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 82.269 -11.463 0.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 80.441 -8.857 3.224 1.00 0.00 H new ATOM 0 HH2 TRP A 3 81.222 -11.116 2.562 1.00 0.00 H new ATOM 56 N GLN A 4 84.815 -6.421 -0.405 1.00 0.00 N ATOM 57 CA GLN A 4 85.771 -7.132 0.493 1.00 0.00 C ATOM 58 C GLN A 4 86.660 -6.121 1.223 1.00 0.00 C ATOM 59 O GLN A 4 86.928 -6.251 2.400 1.00 0.00 O ATOM 60 CB GLN A 4 86.614 -8.009 -0.434 1.00 0.00 C ATOM 61 CG GLN A 4 85.765 -9.171 -0.956 1.00 0.00 C ATOM 62 CD GLN A 4 86.294 -10.487 -0.381 1.00 0.00 C ATOM 63 OE1 GLN A 4 85.537 -11.284 0.137 1.00 0.00 O ATOM 64 NE2 GLN A 4 87.570 -10.750 -0.451 1.00 0.00 N ATOM 0 H GLN A 4 84.933 -6.607 -1.401 1.00 0.00 H new ATOM 0 HA GLN A 4 85.259 -7.719 1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 4 86.990 -7.417 -1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 4 87.482 -8.392 0.102 1.00 0.00 H new ATOM 0 HG2 GLN A 4 84.722 -9.030 -0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 4 85.797 -9.199 -2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 4 88.205 -10.081 -0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 4 87.932 -11.625 -0.071 1.00 0.00 H new ATOM 73 N PHE A 5 87.121 -5.116 0.530 1.00 0.00 N ATOM 74 CA PHE A 5 87.997 -4.097 1.180 1.00 0.00 C ATOM 75 C PHE A 5 87.299 -3.495 2.403 1.00 0.00 C ATOM 76 O PHE A 5 87.790 -3.576 3.511 1.00 0.00 O ATOM 77 CB PHE A 5 88.223 -3.031 0.108 1.00 0.00 C ATOM 78 CG PHE A 5 88.890 -1.825 0.726 1.00 0.00 C ATOM 79 CD1 PHE A 5 89.901 -1.996 1.679 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.497 -0.536 0.346 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.519 -0.877 2.252 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.114 0.581 0.919 1.00 0.00 C ATOM 83 CZ PHE A 5 90.126 0.412 1.871 1.00 0.00 C ATOM 0 H PHE A 5 86.929 -4.955 -0.459 1.00 0.00 H new ATOM 0 HA PHE A 5 88.935 -4.524 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.844 -3.432 -0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.272 -2.744 -0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.204 -2.990 1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 5 87.717 -0.404 -0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.299 -1.008 2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 5 88.809 1.575 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 5 90.603 1.275 2.311 1.00 0.00 H new ATOM 93 N ASN A 6 86.158 -2.891 2.212 1.00 0.00 N ATOM 94 CA ASN A 6 85.433 -2.283 3.367 1.00 0.00 C ATOM 95 C ASN A 6 85.382 -3.265 4.541 1.00 0.00 C ATOM 96 O ASN A 6 85.481 -2.881 5.689 1.00 0.00 O ATOM 97 CB ASN A 6 84.023 -2.002 2.846 1.00 0.00 C ATOM 98 CG ASN A 6 84.017 -0.681 2.075 1.00 0.00 C ATOM 99 OD1 ASN A 6 85.042 -0.238 1.595 1.00 0.00 O ATOM 100 ND2 ASN A 6 82.897 -0.027 1.934 1.00 0.00 N ATOM 0 H ASN A 6 85.696 -2.792 1.308 1.00 0.00 H new ATOM 0 HA ASN A 6 85.924 -1.380 3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.695 -2.815 2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.320 -1.953 3.677 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.882 0.855 1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 6 82.036 -0.397 2.336 1.00 0.00 H new ATOM 107 N GLY A 7 85.225 -4.531 4.262 1.00 0.00 N ATOM 108 CA GLY A 7 85.164 -5.535 5.361 1.00 0.00 C ATOM 109 C GLY A 7 86.465 -5.501 6.167 1.00 0.00 C ATOM 110 O GLY A 7 86.455 -5.558 7.381 1.00 0.00 O ATOM 0 H GLY A 7 85.136 -4.913 3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.316 -5.323 6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.007 -6.531 4.948 1.00 0.00 H new ATOM 114 N MET A 8 87.584 -5.409 5.503 1.00 0.00 N ATOM 115 CA MET A 8 88.885 -5.373 6.229 1.00 0.00 C ATOM 116 C MET A 8 88.911 -4.199 7.211 1.00 0.00 C ATOM 117 O MET A 8 89.436 -4.300 8.302 1.00 0.00 O ATOM 118 CB MET A 8 89.943 -5.184 5.140 1.00 0.00 C ATOM 119 CG MET A 8 90.240 -6.528 4.472 1.00 0.00 C ATOM 120 SD MET A 8 91.621 -6.333 3.316 1.00 0.00 S ATOM 121 CE MET A 8 92.217 -8.041 3.377 1.00 0.00 C ATOM 0 H MET A 8 87.654 -5.357 4.487 1.00 0.00 H new ATOM 0 HA MET A 8 89.057 -6.278 6.811 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.591 -4.468 4.398 1.00 0.00 H new ATOM 0 HB3 MET A 8 90.855 -4.772 5.573 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.486 -7.275 5.227 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.357 -6.887 3.944 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.306 -8.048 3.328 1.00 0.00 H new ATOM 0 HE2 MET A 8 91.892 -8.507 4.307 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.812 -8.598 2.532 1.00 0.00 H new ATOM 131 N ILE A 9 88.346 -3.084 6.833 1.00 0.00 N ATOM 132 CA ILE A 9 88.340 -1.905 7.745 1.00 0.00 C ATOM 133 C ILE A 9 87.480 -2.193 8.978 1.00 0.00 C ATOM 134 O ILE A 9 87.723 -1.675 10.051 1.00 0.00 O ATOM 135 CB ILE A 9 87.729 -0.771 6.921 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.570 -0.547 5.662 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.709 0.513 7.754 1.00 0.00 C ATOM 138 CD1 ILE A 9 87.845 0.426 4.731 1.00 0.00 C ATOM 0 H ILE A 9 87.889 -2.939 5.933 1.00 0.00 H new ATOM 0 HA ILE A 9 89.339 -1.657 8.105 1.00 0.00 H new ATOM 0 HB ILE A 9 86.710 -1.036 6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.548 -0.149 5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.741 -1.495 5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.273 1.321 7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 9 87.112 0.355 8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.727 0.779 8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.444 0.586 3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 9 86.877 0.010 4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.697 1.377 5.243 1.00 0.00 H new ATOM 150 N LYS A 10 86.477 -3.016 8.836 1.00 0.00 N ATOM 151 CA LYS A 10 85.604 -3.335 10.001 1.00 0.00 C ATOM 152 C LYS A 10 86.363 -4.210 11.001 1.00 0.00 C ATOM 153 O LYS A 10 86.192 -4.089 12.198 1.00 0.00 O ATOM 154 CB LYS A 10 84.416 -4.098 9.412 1.00 0.00 C ATOM 155 CG LYS A 10 83.413 -3.103 8.823 1.00 0.00 C ATOM 156 CD LYS A 10 82.000 -3.466 9.285 1.00 0.00 C ATOM 157 CE LYS A 10 81.120 -3.748 8.065 1.00 0.00 C ATOM 158 NZ LYS A 10 79.721 -3.686 8.575 1.00 0.00 N ATOM 0 H LYS A 10 86.225 -3.481 7.964 1.00 0.00 H new ATOM 0 HA LYS A 10 85.285 -2.441 10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.759 -4.786 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 10 83.937 -4.700 10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.661 -2.090 9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.466 -3.119 7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 10 82.032 -4.341 9.934 1.00 0.00 H new ATOM 0 HD3 LYS A 10 81.577 -2.650 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 10 81.287 -3.011 7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 10 81.341 -4.726 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 79.069 -4.033 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 79.635 -4.279 9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 79.482 -2.702 8.813 1.00 0.00 H new ATOM 172 N CYS A 11 87.202 -5.087 10.523 1.00 0.00 N ATOM 173 CA CYS A 11 87.969 -5.960 11.447 1.00 0.00 C ATOM 174 C CYS A 11 88.874 -5.111 12.336 1.00 0.00 C ATOM 175 O CYS A 11 88.903 -5.261 13.542 1.00 0.00 O ATOM 176 CB CYS A 11 88.808 -6.857 10.539 1.00 0.00 C ATOM 177 SG CYS A 11 89.727 -8.046 11.548 1.00 0.00 S ATOM 0 H CYS A 11 87.388 -5.235 9.531 1.00 0.00 H new ATOM 0 HA CYS A 11 87.320 -6.538 12.105 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.164 -7.383 9.834 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.498 -6.253 9.950 1.00 0.00 H new ATOM 182 N LYS A 12 89.614 -4.220 11.741 1.00 0.00 N ATOM 183 CA LYS A 12 90.526 -3.350 12.539 1.00 0.00 C ATOM 184 C LYS A 12 89.722 -2.282 13.285 1.00 0.00 C ATOM 185 O LYS A 12 90.089 -1.856 14.362 1.00 0.00 O ATOM 186 CB LYS A 12 91.453 -2.701 11.511 1.00 0.00 C ATOM 187 CG LYS A 12 92.443 -3.743 10.990 1.00 0.00 C ATOM 188 CD LYS A 12 93.855 -3.156 11.001 1.00 0.00 C ATOM 189 CE LYS A 12 94.660 -3.783 12.141 1.00 0.00 C ATOM 190 NZ LYS A 12 95.838 -2.890 12.317 1.00 0.00 N ATOM 0 H LYS A 12 89.628 -4.055 10.735 1.00 0.00 H new ATOM 0 HA LYS A 12 91.080 -3.913 13.291 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.870 -2.293 10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.990 -1.868 11.964 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.405 -4.638 11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.171 -4.045 9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.347 -3.346 10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.810 -2.074 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 12 94.069 -3.842 13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 12 94.968 -4.799 11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 96.050 -2.790 13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 96.660 -3.300 11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 95.628 -1.955 11.914 1.00 0.00 H new ATOM 204 N ILE A 13 88.631 -1.847 12.719 1.00 0.00 N ATOM 205 CA ILE A 13 87.806 -0.805 13.396 1.00 0.00 C ATOM 206 C ILE A 13 86.338 -1.238 13.438 1.00 0.00 C ATOM 207 O ILE A 13 85.556 -0.873 12.582 1.00 0.00 O ATOM 208 CB ILE A 13 87.971 0.453 12.540 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.443 0.622 12.156 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.513 1.677 13.335 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.627 1.942 11.405 1.00 0.00 C ATOM 0 H ILE A 13 88.274 -2.167 11.818 1.00 0.00 H new ATOM 0 HA ILE A 13 88.118 -0.638 14.427 1.00 0.00 H new ATOM 0 HB ILE A 13 87.367 0.356 11.638 1.00 0.00 H new ATOM 0 HG12 ILE A 13 90.067 0.610 13.050 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.765 -0.212 11.532 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.631 2.572 12.725 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.465 1.561 13.610 1.00 0.00 H new ATOM 0 HG23 ILE A 13 88.117 1.771 14.238 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.675 2.062 11.132 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.015 1.936 10.503 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.322 2.770 12.045 1.00 0.00 H new ATOM 223 N PRO A 14 86.015 -2.008 14.441 1.00 0.00 N ATOM 224 CA PRO A 14 84.628 -2.501 14.609 1.00 0.00 C ATOM 225 C PRO A 14 83.727 -1.376 15.127 1.00 0.00 C ATOM 226 O PRO A 14 82.530 -1.378 14.918 1.00 0.00 O ATOM 227 CB PRO A 14 84.764 -3.610 15.648 1.00 0.00 C ATOM 228 CG PRO A 14 85.999 -3.271 16.422 1.00 0.00 C ATOM 229 CD PRO A 14 86.904 -2.487 15.505 1.00 0.00 C ATOM 0 HA PRO A 14 84.179 -2.850 13.679 1.00 0.00 H new ATOM 0 HB2 PRO A 14 83.890 -3.650 16.298 1.00 0.00 H new ATOM 0 HB3 PRO A 14 84.853 -4.587 15.172 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.749 -2.686 17.307 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.496 -4.177 16.769 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.380 -1.658 16.029 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.703 -3.112 15.105 1.00 0.00 H new ATOM 237 N SER A 15 84.297 -0.413 15.799 1.00 0.00 N ATOM 238 CA SER A 15 83.478 0.714 16.330 1.00 0.00 C ATOM 239 C SER A 15 83.232 1.750 15.230 1.00 0.00 C ATOM 240 O SER A 15 82.551 2.735 15.432 1.00 0.00 O ATOM 241 CB SER A 15 84.317 1.317 17.456 1.00 0.00 C ATOM 242 OG SER A 15 85.621 1.606 16.968 1.00 0.00 O ATOM 0 H SER A 15 85.295 -0.358 16.003 1.00 0.00 H new ATOM 0 HA SER A 15 82.500 0.385 16.682 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.846 2.227 17.829 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.376 0.622 18.294 1.00 0.00 H new ATOM 0 HG SER A 15 86.161 1.995 17.688 1.00 0.00 H new ATOM 248 N SER A 16 83.780 1.532 14.066 1.00 0.00 N ATOM 249 CA SER A 16 83.576 2.501 12.951 1.00 0.00 C ATOM 250 C SER A 16 83.198 1.754 11.669 1.00 0.00 C ATOM 251 O SER A 16 83.682 0.670 11.406 1.00 0.00 O ATOM 252 CB SER A 16 84.921 3.206 12.785 1.00 0.00 C ATOM 253 OG SER A 16 84.704 4.517 12.282 1.00 0.00 O ATOM 0 H SER A 16 84.360 0.725 13.838 1.00 0.00 H new ATOM 0 HA SER A 16 82.772 3.207 13.158 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.441 3.252 13.742 1.00 0.00 H new ATOM 0 HB3 SER A 16 85.558 2.643 12.103 1.00 0.00 H new ATOM 0 HG SER A 16 85.565 4.973 12.175 1.00 0.00 H new ATOM 259 N GLU A 17 82.336 2.322 10.872 1.00 0.00 N ATOM 260 CA GLU A 17 81.925 1.642 9.611 1.00 0.00 C ATOM 261 C GLU A 17 82.585 2.315 8.403 1.00 0.00 C ATOM 262 O GLU A 17 82.857 3.498 8.423 1.00 0.00 O ATOM 263 CB GLU A 17 80.406 1.806 9.553 1.00 0.00 C ATOM 264 CG GLU A 17 79.772 1.123 10.767 1.00 0.00 C ATOM 265 CD GLU A 17 79.146 -0.206 10.336 1.00 0.00 C ATOM 266 OE1 GLU A 17 79.394 -0.621 9.216 1.00 0.00 O ATOM 267 OE2 GLU A 17 78.429 -0.787 11.134 1.00 0.00 O ATOM 0 H GLU A 17 81.898 3.228 11.039 1.00 0.00 H new ATOM 0 HA GLU A 17 82.225 0.594 9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 17 80.144 2.864 9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 17 80.017 1.370 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 17 80.526 0.950 11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 17 79.012 1.770 11.206 1.00 0.00 H new ATOM 274 N PRO A 18 82.817 1.527 7.387 1.00 0.00 N ATOM 275 CA PRO A 18 83.449 2.045 6.149 1.00 0.00 C ATOM 276 C PRO A 18 82.459 2.912 5.365 1.00 0.00 C ATOM 277 O PRO A 18 82.800 3.510 4.364 1.00 0.00 O ATOM 278 CB PRO A 18 83.802 0.780 5.372 1.00 0.00 C ATOM 279 CG PRO A 18 82.850 -0.262 5.873 1.00 0.00 C ATOM 280 CD PRO A 18 82.515 0.095 7.299 1.00 0.00 C ATOM 0 HA PRO A 18 84.316 2.676 6.341 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.691 0.932 4.298 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.837 0.486 5.547 1.00 0.00 H new ATOM 0 HG2 PRO A 18 81.949 -0.288 5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.300 -1.253 5.819 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.468 -0.107 7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.111 -0.483 8.006 1.00 0.00 H new ATOM 288 N LEU A 19 81.236 2.987 5.814 1.00 0.00 N ATOM 289 CA LEU A 19 80.228 3.819 5.096 1.00 0.00 C ATOM 290 C LEU A 19 79.818 5.013 5.964 1.00 0.00 C ATOM 291 O LEU A 19 79.331 6.011 5.472 1.00 0.00 O ATOM 292 CB LEU A 19 79.036 2.890 4.866 1.00 0.00 C ATOM 293 CG LEU A 19 79.273 2.054 3.607 1.00 0.00 C ATOM 294 CD1 LEU A 19 78.504 0.737 3.718 1.00 0.00 C ATOM 295 CD2 LEU A 19 78.781 2.827 2.381 1.00 0.00 C ATOM 0 H LEU A 19 80.891 2.509 6.646 1.00 0.00 H new ATOM 0 HA LEU A 19 80.615 4.222 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 19 78.899 2.237 5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 19 78.122 3.474 4.760 1.00 0.00 H new ATOM 0 HG LEU A 19 80.338 1.847 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.672 0.141 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.852 0.185 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.439 0.945 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.950 2.232 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.716 3.034 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 19 79.327 3.767 2.301 1.00 0.00 H new ATOM 307 N LEU A 20 80.014 4.919 7.252 1.00 0.00 N ATOM 308 CA LEU A 20 79.636 6.049 8.149 1.00 0.00 C ATOM 309 C LEU A 20 80.881 6.841 8.557 1.00 0.00 C ATOM 310 O LEU A 20 80.790 7.947 9.053 1.00 0.00 O ATOM 311 CB LEU A 20 78.999 5.391 9.372 1.00 0.00 C ATOM 312 CG LEU A 20 77.820 4.522 8.933 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.372 3.643 10.100 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.660 5.419 8.496 1.00 0.00 C ATOM 0 H LEU A 20 80.419 4.109 7.721 1.00 0.00 H new ATOM 0 HA LEU A 20 78.957 6.750 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.737 4.783 9.896 1.00 0.00 H new ATOM 0 HB3 LEU A 20 78.660 6.154 10.073 1.00 0.00 H new ATOM 0 HG LEU A 20 78.125 3.890 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.532 3.023 9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.198 3.004 10.412 1.00 0.00 H new ATOM 0 HD13 LEU A 20 77.067 4.274 10.935 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.819 4.800 8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 20 76.355 6.051 9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.979 6.046 7.663 1.00 0.00 H new ATOM 326 N ASP A 21 82.044 6.284 8.356 1.00 0.00 N ATOM 327 CA ASP A 21 83.292 7.007 8.739 1.00 0.00 C ATOM 328 C ASP A 21 84.215 7.155 7.526 1.00 0.00 C ATOM 329 O ASP A 21 84.802 8.195 7.306 1.00 0.00 O ATOM 330 CB ASP A 21 83.945 6.129 9.807 1.00 0.00 C ATOM 331 CG ASP A 21 83.048 6.079 11.046 1.00 0.00 C ATOM 332 OD1 ASP A 21 82.125 5.282 11.054 1.00 0.00 O ATOM 333 OD2 ASP A 21 83.299 6.840 11.965 1.00 0.00 O ATOM 0 H ASP A 21 82.185 5.362 7.944 1.00 0.00 H new ATOM 0 HA ASP A 21 83.090 8.013 9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 21 84.103 5.123 9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 21 84.925 6.527 10.070 1.00 0.00 H new ATOM 338 N PHE A 22 84.349 6.123 6.739 1.00 0.00 N ATOM 339 CA PHE A 22 85.237 6.211 5.544 1.00 0.00 C ATOM 340 C PHE A 22 84.410 6.122 4.259 1.00 0.00 C ATOM 341 O PHE A 22 84.473 5.148 3.536 1.00 0.00 O ATOM 342 CB PHE A 22 86.177 5.010 5.661 1.00 0.00 C ATOM 343 CG PHE A 22 86.723 4.932 7.066 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.854 5.677 7.421 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.098 4.112 8.014 1.00 0.00 C ATOM 346 CE1 PHE A 22 88.360 5.603 8.724 1.00 0.00 C ATOM 347 CE2 PHE A 22 86.604 4.038 9.317 1.00 0.00 C ATOM 348 CZ PHE A 22 87.735 4.783 9.673 1.00 0.00 C ATOM 0 H PHE A 22 83.884 5.225 6.871 1.00 0.00 H new ATOM 0 HA PHE A 22 85.782 7.154 5.504 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.643 4.092 5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 22 86.995 5.104 4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 22 88.336 6.309 6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 22 85.226 3.537 7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 22 89.232 6.178 8.998 1.00 0.00 H new ATOM 0 HE2 PHE A 22 86.122 3.406 10.048 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.125 4.726 10.678 1.00 0.00 H new ATOM 358 N ASN A 23 83.636 7.131 3.970 1.00 0.00 N ATOM 359 CA ASN A 23 82.807 7.102 2.729 1.00 0.00 C ATOM 360 C ASN A 23 82.898 8.446 2.003 1.00 0.00 C ATOM 361 O ASN A 23 82.659 9.491 2.576 1.00 0.00 O ATOM 362 CB ASN A 23 81.378 6.848 3.214 1.00 0.00 C ATOM 363 CG ASN A 23 80.453 6.687 2.006 1.00 0.00 C ATOM 364 OD1 ASN A 23 80.905 6.672 0.879 1.00 0.00 O ATOM 365 ND2 ASN A 23 79.168 6.567 2.195 1.00 0.00 N ATOM 0 H ASN A 23 83.541 7.973 4.537 1.00 0.00 H new ATOM 0 HA ASN A 23 83.140 6.339 2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.346 5.951 3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 23 81.041 7.677 3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 23 78.543 6.461 1.396 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.788 6.580 3.142 1.00 0.00 H new ATOM 372 N ASN A 24 83.239 8.429 0.742 1.00 0.00 N ATOM 373 CA ASN A 24 83.342 9.706 -0.020 1.00 0.00 C ATOM 374 C ASN A 24 84.056 10.768 0.823 1.00 0.00 C ATOM 375 O ASN A 24 83.431 11.553 1.507 1.00 0.00 O ATOM 376 CB ASN A 24 81.894 10.116 -0.292 1.00 0.00 C ATOM 377 CG ASN A 24 81.846 11.068 -1.488 1.00 0.00 C ATOM 378 OD1 ASN A 24 82.349 10.756 -2.548 1.00 0.00 O ATOM 379 ND2 ASN A 24 81.257 12.225 -1.360 1.00 0.00 N ATOM 0 H ASN A 24 83.450 7.586 0.208 1.00 0.00 H new ATOM 0 HA ASN A 24 83.915 9.597 -0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.287 9.233 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.471 10.600 0.588 1.00 0.00 H new ATOM 0 HD21 ASN A 24 81.219 12.868 -2.151 1.00 0.00 H new ATOM 0 HD22 ASN A 24 80.835 12.486 -0.469 1.00 0.00 H new ATOM 386 N TYR A 25 85.361 10.794 0.782 1.00 0.00 N ATOM 387 CA TYR A 25 86.111 11.803 1.587 1.00 0.00 C ATOM 388 C TYR A 25 87.418 12.178 0.882 1.00 0.00 C ATOM 389 O TYR A 25 87.900 11.465 0.025 1.00 0.00 O ATOM 390 CB TYR A 25 86.400 11.102 2.916 1.00 0.00 C ATOM 391 CG TYR A 25 87.334 11.949 3.747 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.706 11.969 3.462 1.00 0.00 C ATOM 393 CD2 TYR A 25 86.830 12.709 4.810 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.571 12.750 4.237 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.696 13.488 5.586 1.00 0.00 C ATOM 396 CZ TYR A 25 89.065 13.510 5.299 1.00 0.00 C ATOM 397 OH TYR A 25 89.917 14.277 6.067 1.00 0.00 O ATOM 0 H TYR A 25 85.939 10.163 0.228 1.00 0.00 H new ATOM 0 HA TYR A 25 85.550 12.727 1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.470 10.931 3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.846 10.125 2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.096 11.381 2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 25 85.773 12.694 5.031 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.628 12.767 4.016 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.307 14.072 6.407 1.00 0.00 H new ATOM 0 HH TYR A 25 89.756 14.094 7.016 1.00 0.00 H new ATOM 407 N GLY A 26 87.997 13.292 1.237 1.00 0.00 N ATOM 408 CA GLY A 26 89.274 13.704 0.589 1.00 0.00 C ATOM 409 C GLY A 26 89.177 13.501 -0.921 1.00 0.00 C ATOM 410 O GLY A 26 88.113 13.275 -1.463 1.00 0.00 O ATOM 0 H GLY A 26 87.642 13.933 1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.484 14.750 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.102 13.120 0.991 1.00 0.00 H new ATOM 414 N CYS A 27 90.282 13.585 -1.607 1.00 0.00 N ATOM 415 CA CYS A 27 90.262 13.404 -3.087 1.00 0.00 C ATOM 416 C CYS A 27 90.367 11.918 -3.452 1.00 0.00 C ATOM 417 O CYS A 27 89.936 11.502 -4.510 1.00 0.00 O ATOM 418 CB CYS A 27 91.486 14.167 -3.593 1.00 0.00 C ATOM 419 SG CYS A 27 91.439 15.863 -2.964 1.00 0.00 S ATOM 0 H CYS A 27 91.201 13.772 -1.206 1.00 0.00 H new ATOM 0 HA CYS A 27 89.336 13.769 -3.531 1.00 0.00 H new ATOM 0 HB2 CYS A 27 92.399 13.671 -3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 27 91.500 14.172 -4.683 1.00 0.00 H new ATOM 424 N TYR A 28 90.943 11.118 -2.597 1.00 0.00 N ATOM 425 CA TYR A 28 91.078 9.667 -2.916 1.00 0.00 C ATOM 426 C TYR A 28 89.966 8.856 -2.240 1.00 0.00 C ATOM 427 O TYR A 28 89.231 8.138 -2.889 1.00 0.00 O ATOM 428 CB TYR A 28 92.446 9.270 -2.364 1.00 0.00 C ATOM 429 CG TYR A 28 93.513 10.109 -3.026 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.105 9.675 -4.218 1.00 0.00 C ATOM 431 CD2 TYR A 28 93.908 11.322 -2.450 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.092 10.454 -4.834 1.00 0.00 C ATOM 433 CE2 TYR A 28 94.896 12.101 -3.065 1.00 0.00 C ATOM 434 CZ TYR A 28 95.487 11.667 -4.257 1.00 0.00 C ATOM 435 OH TYR A 28 96.459 12.436 -4.864 1.00 0.00 O ATOM 0 H TYR A 28 91.325 11.404 -1.695 1.00 0.00 H new ATOM 0 HA TYR A 28 90.994 9.473 -3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.471 9.415 -1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 28 92.632 8.212 -2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.800 8.739 -4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 28 93.451 11.657 -1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.548 10.119 -5.754 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.202 13.036 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 28 96.254 13.385 -4.733 1.00 0.00 H new ATOM 445 N CYS A 29 89.837 8.956 -0.945 1.00 0.00 N ATOM 446 CA CYS A 29 88.772 8.178 -0.247 1.00 0.00 C ATOM 447 C CYS A 29 87.426 8.374 -0.951 1.00 0.00 C ATOM 448 O CYS A 29 86.911 9.471 -1.033 1.00 0.00 O ATOM 449 CB CYS A 29 88.719 8.743 1.174 1.00 0.00 C ATOM 450 SG CYS A 29 90.366 8.663 1.918 1.00 0.00 S ATOM 0 H CYS A 29 90.418 9.539 -0.343 1.00 0.00 H new ATOM 0 HA CYS A 29 88.982 7.108 -0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.367 9.775 1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.009 8.176 1.776 1.00 0.00 H new ATOM 455 N GLY A 30 86.856 7.317 -1.460 1.00 0.00 N ATOM 456 CA GLY A 30 85.545 7.442 -2.159 1.00 0.00 C ATOM 457 C GLY A 30 85.513 6.484 -3.352 1.00 0.00 C ATOM 458 O GLY A 30 85.915 5.342 -3.253 1.00 0.00 O ATOM 0 H GLY A 30 87.240 6.373 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 30 84.731 7.212 -1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.397 8.467 -2.498 1.00 0.00 H new ATOM 462 N LEU A 31 85.037 6.938 -4.481 1.00 0.00 N ATOM 463 CA LEU A 31 84.982 6.050 -5.678 1.00 0.00 C ATOM 464 C LEU A 31 85.853 6.619 -6.801 1.00 0.00 C ATOM 465 O LEU A 31 86.032 6.004 -7.835 1.00 0.00 O ATOM 466 CB LEU A 31 83.508 6.029 -6.092 1.00 0.00 C ATOM 467 CG LEU A 31 83.153 7.332 -6.814 1.00 0.00 C ATOM 468 CD1 LEU A 31 83.118 7.087 -8.324 1.00 0.00 C ATOM 469 CD2 LEU A 31 81.778 7.815 -6.346 1.00 0.00 C ATOM 0 H LEU A 31 84.684 7.884 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 31 85.357 5.049 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 31 83.316 5.177 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 31 82.876 5.906 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 31 83.903 8.089 -6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 31 82.865 8.015 -8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 31 84.096 6.742 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 31 82.368 6.330 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 31 81.524 8.743 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 31 81.029 7.057 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 31 81.801 7.990 -5.270 1.00 0.00 H new ATOM 481 N GLY A 32 86.395 7.790 -6.609 1.00 0.00 N ATOM 482 CA GLY A 32 87.252 8.399 -7.664 1.00 0.00 C ATOM 483 C GLY A 32 88.022 9.580 -7.073 1.00 0.00 C ATOM 484 O GLY A 32 88.997 9.407 -6.370 1.00 0.00 O ATOM 0 H GLY A 32 86.281 8.352 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 32 87.947 7.657 -8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 32 86.637 8.733 -8.500 1.00 0.00 H new ATOM 488 N GLY A 33 87.590 10.779 -7.349 1.00 0.00 N ATOM 489 CA GLY A 33 88.296 11.970 -6.799 1.00 0.00 C ATOM 490 C GLY A 33 89.756 11.954 -7.251 1.00 0.00 C ATOM 491 O GLY A 33 90.274 10.942 -7.679 1.00 0.00 O ATOM 0 H GLY A 33 86.779 10.986 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 33 87.809 12.884 -7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 33 88.242 11.967 -5.710 1.00 0.00 H new ATOM 495 N SER A 34 90.425 13.071 -7.159 1.00 0.00 N ATOM 496 CA SER A 34 91.853 13.121 -7.583 1.00 0.00 C ATOM 497 C SER A 34 92.468 14.475 -7.214 1.00 0.00 C ATOM 498 O SER A 34 91.771 15.427 -6.928 1.00 0.00 O ATOM 499 CB SER A 34 91.821 12.942 -9.099 1.00 0.00 C ATOM 500 OG SER A 34 91.100 14.019 -9.683 1.00 0.00 O ATOM 0 H SER A 34 90.045 13.950 -6.809 1.00 0.00 H new ATOM 0 HA SER A 34 92.456 12.356 -7.095 1.00 0.00 H new ATOM 0 HB2 SER A 34 92.836 12.912 -9.495 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.350 11.993 -9.355 1.00 0.00 H new ATOM 0 HG SER A 34 91.079 13.909 -10.657 1.00 0.00 H new ATOM 506 N GLY A 35 93.771 14.566 -7.218 1.00 0.00 N ATOM 507 CA GLY A 35 94.428 15.857 -6.868 1.00 0.00 C ATOM 508 C GLY A 35 95.127 15.725 -5.513 1.00 0.00 C ATOM 509 O GLY A 35 95.107 14.679 -4.892 1.00 0.00 O ATOM 0 H GLY A 35 94.407 13.803 -7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.151 16.129 -7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 35 93.687 16.656 -6.830 1.00 0.00 H new ATOM 513 N THR A 36 95.745 16.776 -5.047 1.00 0.00 N ATOM 514 CA THR A 36 96.444 16.707 -3.732 1.00 0.00 C ATOM 515 C THR A 36 95.465 16.288 -2.632 1.00 0.00 C ATOM 516 O THR A 36 94.305 16.646 -2.665 1.00 0.00 O ATOM 517 CB THR A 36 96.956 18.126 -3.482 1.00 0.00 C ATOM 518 OG1 THR A 36 97.925 18.459 -4.467 1.00 0.00 O ATOM 519 CG2 THR A 36 97.591 18.204 -2.092 1.00 0.00 C ATOM 0 H THR A 36 95.796 17.679 -5.519 1.00 0.00 H new ATOM 0 HA THR A 36 97.252 15.975 -3.732 1.00 0.00 H new ATOM 0 HB THR A 36 96.124 18.828 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.253 19.369 -4.309 1.00 0.00 H new ATOM 0 HG21 THR A 36 97.956 19.216 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 36 96.847 17.949 -1.337 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.423 17.503 -2.032 1.00 0.00 H new ATOM 527 N PRO A 37 95.972 15.540 -1.690 1.00 0.00 N ATOM 528 CA PRO A 37 95.135 15.061 -0.562 1.00 0.00 C ATOM 529 C PRO A 37 94.812 16.215 0.391 1.00 0.00 C ATOM 530 O PRO A 37 95.407 17.273 0.324 1.00 0.00 O ATOM 531 CB PRO A 37 96.017 14.018 0.121 1.00 0.00 C ATOM 532 CG PRO A 37 97.417 14.399 -0.241 1.00 0.00 C ATOM 533 CD PRO A 37 97.358 15.072 -1.588 1.00 0.00 C ATOM 0 HA PRO A 37 94.175 14.655 -0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 37 95.873 14.025 1.201 1.00 0.00 H new ATOM 0 HB3 PRO A 37 95.779 13.012 -0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.839 15.070 0.507 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.059 13.519 -0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.065 15.900 -1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.605 14.379 -2.392 1.00 0.00 H new ATOM 541 N VAL A 38 93.871 16.023 1.274 1.00 0.00 N ATOM 542 CA VAL A 38 93.509 17.113 2.224 1.00 0.00 C ATOM 543 C VAL A 38 93.800 16.688 3.666 1.00 0.00 C ATOM 544 O VAL A 38 94.007 17.511 4.535 1.00 0.00 O ATOM 545 CB VAL A 38 92.010 17.330 2.021 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.723 17.545 0.534 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.247 16.099 2.513 1.00 0.00 C ATOM 0 H VAL A 38 93.338 15.160 1.379 1.00 0.00 H new ATOM 0 HA VAL A 38 94.083 18.022 2.044 1.00 0.00 H new ATOM 0 HB VAL A 38 91.690 18.207 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.654 17.700 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 38 92.268 18.421 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 38 92.042 16.668 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.177 16.252 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.567 15.223 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.452 15.943 3.572 1.00 0.00 H new ATOM 557 N ASP A 39 93.812 15.410 3.930 1.00 0.00 N ATOM 558 CA ASP A 39 94.087 14.941 5.319 1.00 0.00 C ATOM 559 C ASP A 39 94.897 13.643 5.294 1.00 0.00 C ATOM 560 O ASP A 39 95.014 12.992 4.274 1.00 0.00 O ATOM 561 CB ASP A 39 92.708 14.701 5.931 1.00 0.00 C ATOM 562 CG ASP A 39 92.801 14.802 7.455 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.309 15.803 7.933 1.00 0.00 O ATOM 564 OD2 ASP A 39 92.360 13.877 8.119 1.00 0.00 O ATOM 0 H ASP A 39 93.644 14.672 3.247 1.00 0.00 H new ATOM 0 HA ASP A 39 94.670 15.663 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 39 91.997 15.434 5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 39 92.337 13.717 5.643 1.00 0.00 H new ATOM 569 N ASP A 40 95.457 13.261 6.409 1.00 0.00 N ATOM 570 CA ASP A 40 96.257 12.004 6.450 1.00 0.00 C ATOM 571 C ASP A 40 95.396 10.815 6.013 1.00 0.00 C ATOM 572 O ASP A 40 95.845 9.947 5.291 1.00 0.00 O ATOM 573 CB ASP A 40 96.685 11.856 7.911 1.00 0.00 C ATOM 574 CG ASP A 40 97.553 13.050 8.311 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.658 13.151 7.803 1.00 0.00 O ATOM 576 OD2 ASP A 40 97.099 13.844 9.118 1.00 0.00 O ATOM 0 H ASP A 40 95.395 13.765 7.294 1.00 0.00 H new ATOM 0 HA ASP A 40 97.114 12.035 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 40 95.807 11.799 8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 40 97.240 10.928 8.046 1.00 0.00 H new ATOM 581 N LEU A 41 94.162 10.766 6.432 1.00 0.00 N ATOM 582 CA LEU A 41 93.293 9.628 6.016 1.00 0.00 C ATOM 583 C LEU A 41 93.246 9.557 4.490 1.00 0.00 C ATOM 584 O LEU A 41 93.232 8.492 3.904 1.00 0.00 O ATOM 585 CB LEU A 41 91.909 9.939 6.587 1.00 0.00 C ATOM 586 CG LEU A 41 91.052 8.671 6.552 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.752 7.561 7.335 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.689 8.955 7.186 1.00 0.00 C ATOM 0 H LEU A 41 93.720 11.457 7.039 1.00 0.00 H new ATOM 0 HA LEU A 41 93.661 8.668 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 41 91.998 10.303 7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.433 10.730 6.007 1.00 0.00 H new ATOM 0 HG LEU A 41 90.914 8.358 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 41 91.142 6.658 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.723 7.355 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.891 7.877 8.369 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.080 8.051 7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.827 9.270 8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.187 9.747 6.630 1.00 0.00 H new ATOM 600 N ASP A 42 93.236 10.691 3.839 1.00 0.00 N ATOM 601 CA ASP A 42 93.207 10.693 2.350 1.00 0.00 C ATOM 602 C ASP A 42 94.442 9.971 1.820 1.00 0.00 C ATOM 603 O ASP A 42 94.366 9.169 0.909 1.00 0.00 O ATOM 604 CB ASP A 42 93.234 12.169 1.952 1.00 0.00 C ATOM 605 CG ASP A 42 92.295 12.394 0.766 1.00 0.00 C ATOM 606 OD1 ASP A 42 91.485 11.520 0.504 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.402 13.435 0.140 1.00 0.00 O ATOM 0 H ASP A 42 93.247 11.613 4.275 1.00 0.00 H new ATOM 0 HA ASP A 42 92.332 10.186 1.945 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.928 12.790 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 42 94.249 12.467 1.688 1.00 0.00 H new ATOM 612 N ARG A 43 95.582 10.240 2.394 1.00 0.00 N ATOM 613 CA ARG A 43 96.823 9.563 1.942 1.00 0.00 C ATOM 614 C ARG A 43 96.610 8.055 1.948 1.00 0.00 C ATOM 615 O ARG A 43 97.126 7.336 1.115 1.00 0.00 O ATOM 616 CB ARG A 43 97.874 9.954 2.975 1.00 0.00 C ATOM 617 CG ARG A 43 98.500 11.286 2.577 1.00 0.00 C ATOM 618 CD ARG A 43 100.012 11.120 2.465 1.00 0.00 C ATOM 619 NE ARG A 43 100.212 9.937 1.596 1.00 0.00 N ATOM 620 CZ ARG A 43 101.400 9.661 1.130 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.402 9.502 1.950 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.586 9.545 -0.156 1.00 0.00 N ATOM 0 H ARG A 43 95.705 10.903 3.160 1.00 0.00 H new ATOM 0 HA ARG A 43 97.117 9.847 0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.418 10.034 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.642 9.183 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 43 98.089 11.624 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.260 12.049 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.474 12.008 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.465 10.969 3.445 1.00 0.00 H new ATOM 0 HE ARG A 43 99.421 9.337 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 43 102.258 9.593 2.956 1.00 0.00 H new ATOM 0 HH12 ARG A 43 103.330 9.286 1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 43 100.803 9.670 -0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.514 9.329 -0.520 1.00 0.00 H new ATOM 636 N CYS A 44 95.848 7.572 2.887 1.00 0.00 N ATOM 637 CA CYS A 44 95.597 6.113 2.955 1.00 0.00 C ATOM 638 C CYS A 44 94.886 5.652 1.684 1.00 0.00 C ATOM 639 O CYS A 44 95.266 4.680 1.064 1.00 0.00 O ATOM 640 CB CYS A 44 94.693 5.911 4.173 1.00 0.00 C ATOM 641 SG CYS A 44 95.395 6.760 5.609 1.00 0.00 S ATOM 0 H CYS A 44 95.389 8.127 3.609 1.00 0.00 H new ATOM 0 HA CYS A 44 96.520 5.540 3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 44 93.695 6.296 3.964 1.00 0.00 H new ATOM 0 HB3 CYS A 44 94.586 4.847 4.385 1.00 0.00 H new ATOM 646 N CYS A 45 93.857 6.351 1.293 1.00 0.00 N ATOM 647 CA CYS A 45 93.118 5.962 0.059 1.00 0.00 C ATOM 648 C CYS A 45 94.014 6.160 -1.166 1.00 0.00 C ATOM 649 O CYS A 45 94.080 5.322 -2.044 1.00 0.00 O ATOM 650 CB CYS A 45 91.911 6.900 0.006 1.00 0.00 C ATOM 651 SG CYS A 45 90.984 6.775 1.556 1.00 0.00 S ATOM 0 H CYS A 45 93.496 7.175 1.774 1.00 0.00 H new ATOM 0 HA CYS A 45 92.813 4.915 0.066 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.241 7.927 -0.151 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.270 6.639 -0.836 1.00 0.00 H new ATOM 656 N GLN A 46 94.714 7.258 -1.223 1.00 0.00 N ATOM 657 CA GLN A 46 95.617 7.514 -2.381 1.00 0.00 C ATOM 658 C GLN A 46 96.638 6.380 -2.509 1.00 0.00 C ATOM 659 O GLN A 46 96.993 5.969 -3.596 1.00 0.00 O ATOM 660 CB GLN A 46 96.318 8.828 -2.038 1.00 0.00 C ATOM 661 CG GLN A 46 97.481 9.058 -3.003 1.00 0.00 C ATOM 662 CD GLN A 46 98.035 10.465 -2.804 1.00 0.00 C ATOM 663 OE1 GLN A 46 97.532 11.223 -1.999 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.059 10.847 -3.511 1.00 0.00 N ATOM 0 H GLN A 46 94.700 7.992 -0.515 1.00 0.00 H new ATOM 0 HA GLN A 46 95.081 7.568 -3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 46 95.611 9.656 -2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 46 96.684 8.799 -1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.264 8.319 -2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.145 8.930 -4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.479 10.208 -4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.441 11.785 -3.390 1.00 0.00 H new ATOM 673 N THR A 47 97.118 5.882 -1.404 1.00 0.00 N ATOM 674 CA THR A 47 98.121 4.786 -1.446 1.00 0.00 C ATOM 675 C THR A 47 97.480 3.476 -1.913 1.00 0.00 C ATOM 676 O THR A 47 98.109 2.666 -2.566 1.00 0.00 O ATOM 677 CB THR A 47 98.618 4.647 -0.008 1.00 0.00 C ATOM 678 OG1 THR A 47 99.286 5.840 0.378 1.00 0.00 O ATOM 679 CG2 THR A 47 99.584 3.465 0.087 1.00 0.00 C ATOM 0 H THR A 47 96.856 6.191 -0.468 1.00 0.00 H new ATOM 0 HA THR A 47 98.928 5.006 -2.145 1.00 0.00 H new ATOM 0 HB THR A 47 97.770 4.475 0.655 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.649 6.447 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 47 99.938 3.366 1.113 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.070 2.550 -0.209 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.433 3.635 -0.575 1.00 0.00 H new ATOM 687 N HIS A 48 96.236 3.258 -1.588 1.00 0.00 N ATOM 688 CA HIS A 48 95.570 1.999 -2.021 1.00 0.00 C ATOM 689 C HIS A 48 95.587 1.919 -3.542 1.00 0.00 C ATOM 690 O HIS A 48 95.994 0.932 -4.123 1.00 0.00 O ATOM 691 CB HIS A 48 94.136 2.105 -1.504 1.00 0.00 C ATOM 692 CG HIS A 48 93.419 0.808 -1.750 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.403 0.691 -2.686 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.558 -0.437 -1.190 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.973 -0.584 -2.661 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.644 -1.315 -1.767 1.00 0.00 N ATOM 0 H HIS A 48 95.654 3.895 -1.043 1.00 0.00 H new ATOM 0 HA HIS A 48 96.066 1.107 -1.639 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.138 2.336 -0.439 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.616 2.921 -2.006 1.00 0.00 H new ATOM 0 HD1 HIS A 48 92.046 1.436 -3.285 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.268 -0.697 -0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 48 91.182 -0.969 -3.287 1.00 0.00 H new ATOM 704 N ASP A 49 95.156 2.962 -4.187 1.00 0.00 N ATOM 705 CA ASP A 49 95.155 2.970 -5.669 1.00 0.00 C ATOM 706 C ASP A 49 96.587 2.809 -6.179 1.00 0.00 C ATOM 707 O ASP A 49 96.859 2.035 -7.075 1.00 0.00 O ATOM 708 CB ASP A 49 94.597 4.340 -6.057 1.00 0.00 C ATOM 709 CG ASP A 49 93.074 4.262 -6.169 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.589 3.280 -6.707 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.418 5.185 -5.717 1.00 0.00 O ATOM 0 H ASP A 49 94.803 3.813 -3.748 1.00 0.00 H new ATOM 0 HA ASP A 49 94.564 2.159 -6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 49 94.879 5.083 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.025 4.663 -7.006 1.00 0.00 H new ATOM 716 N ASN A 50 97.505 3.537 -5.603 1.00 0.00 N ATOM 717 CA ASN A 50 98.922 3.436 -6.033 1.00 0.00 C ATOM 718 C ASN A 50 99.411 1.994 -5.886 1.00 0.00 C ATOM 719 O ASN A 50 100.200 1.510 -6.673 1.00 0.00 O ATOM 720 CB ASN A 50 99.687 4.364 -5.089 1.00 0.00 C ATOM 721 CG ASN A 50 99.552 5.809 -5.575 1.00 0.00 C ATOM 722 OD1 ASN A 50 99.334 6.050 -6.746 1.00 0.00 O ATOM 723 ND2 ASN A 50 99.672 6.788 -4.720 1.00 0.00 N ATOM 0 H ASN A 50 97.329 4.201 -4.849 1.00 0.00 H new ATOM 0 HA ASN A 50 99.062 3.715 -7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.297 4.272 -4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.738 4.078 -5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 50 99.583 7.754 -5.035 1.00 0.00 H new ATOM 0 HD22 ASN A 50 99.855 6.587 -3.737 1.00 0.00 H new ATOM 730 N CYS A 51 98.941 1.303 -4.885 1.00 0.00 N ATOM 731 CA CYS A 51 99.373 -0.111 -4.688 1.00 0.00 C ATOM 732 C CYS A 51 98.792 -0.985 -5.801 1.00 0.00 C ATOM 733 O CYS A 51 99.419 -1.919 -6.264 1.00 0.00 O ATOM 734 CB CYS A 51 98.802 -0.516 -3.327 1.00 0.00 C ATOM 735 SG CYS A 51 99.718 -1.940 -2.682 1.00 0.00 S ATOM 0 H CYS A 51 98.277 1.655 -4.195 1.00 0.00 H new ATOM 0 HA CYS A 51 100.456 -0.227 -4.719 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.870 0.319 -2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.745 -0.764 -3.424 1.00 0.00 H new ATOM 740 N TYR A 52 97.600 -0.683 -6.241 1.00 0.00 N ATOM 741 CA TYR A 52 96.978 -1.487 -7.333 1.00 0.00 C ATOM 742 C TYR A 52 97.769 -1.295 -8.630 1.00 0.00 C ATOM 743 O TYR A 52 97.870 -2.188 -9.447 1.00 0.00 O ATOM 744 CB TYR A 52 95.561 -0.932 -7.477 1.00 0.00 C ATOM 745 CG TYR A 52 94.649 -1.614 -6.486 1.00 0.00 C ATOM 746 CD1 TYR A 52 95.085 -1.847 -5.176 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.365 -2.011 -6.877 1.00 0.00 C ATOM 748 CE1 TYR A 52 94.237 -2.478 -4.257 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.517 -2.642 -5.959 1.00 0.00 C ATOM 750 CZ TYR A 52 92.952 -2.875 -4.650 1.00 0.00 C ATOM 751 OH TYR A 52 92.115 -3.496 -3.745 1.00 0.00 O ATOM 0 H TYR A 52 97.029 0.087 -5.891 1.00 0.00 H new ATOM 0 HA TYR A 52 96.971 -2.555 -7.115 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.562 0.144 -7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.198 -1.093 -8.492 1.00 0.00 H new ATOM 0 HD1 TYR A 52 96.075 -1.540 -4.874 1.00 0.00 H new ATOM 0 HD2 TYR A 52 93.028 -1.830 -7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.573 -2.658 -3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.527 -2.949 -6.261 1.00 0.00 H new ATOM 0 HH TYR A 52 92.646 -4.052 -3.137 1.00 0.00 H new ATOM 761 N LYS A 53 98.347 -0.138 -8.815 1.00 0.00 N ATOM 762 CA LYS A 53 99.149 0.101 -10.051 1.00 0.00 C ATOM 763 C LYS A 53 100.429 -0.707 -9.944 1.00 0.00 C ATOM 764 O LYS A 53 100.785 -1.474 -10.816 1.00 0.00 O ATOM 765 CB LYS A 53 99.488 1.600 -10.069 1.00 0.00 C ATOM 766 CG LYS A 53 98.321 2.421 -9.527 1.00 0.00 C ATOM 767 CD LYS A 53 97.854 3.415 -10.593 1.00 0.00 C ATOM 768 CE LYS A 53 96.774 2.767 -11.464 1.00 0.00 C ATOM 769 NZ LYS A 53 96.837 3.500 -12.760 1.00 0.00 N ATOM 0 H LYS A 53 98.299 0.649 -8.167 1.00 0.00 H new ATOM 0 HA LYS A 53 98.612 -0.187 -10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.379 1.784 -9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.719 1.914 -11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.500 1.762 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.626 2.954 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.461 4.314 -10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 53 98.697 3.723 -11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 53 96.964 1.703 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.789 2.858 -11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 96.125 3.113 -13.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 96.646 4.509 -12.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 97.784 3.389 -13.176 1.00 0.00 H new ATOM 783 N GLN A 54 101.110 -0.537 -8.852 1.00 0.00 N ATOM 784 CA GLN A 54 102.371 -1.288 -8.630 1.00 0.00 C ATOM 785 C GLN A 54 102.114 -2.778 -8.840 1.00 0.00 C ATOM 786 O GLN A 54 102.943 -3.501 -9.358 1.00 0.00 O ATOM 787 CB GLN A 54 102.747 -1.011 -7.174 1.00 0.00 C ATOM 788 CG GLN A 54 103.596 0.260 -7.095 1.00 0.00 C ATOM 789 CD GLN A 54 105.065 -0.089 -7.344 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.732 -0.621 -6.478 1.00 0.00 O ATOM 791 NE2 GLN A 54 105.603 0.191 -8.500 1.00 0.00 N ATOM 0 H GLN A 54 100.846 0.095 -8.097 1.00 0.00 H new ATOM 0 HA GLN A 54 103.165 -0.991 -9.314 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.846 -0.897 -6.571 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.300 -1.856 -6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 54 103.254 0.985 -7.833 1.00 0.00 H new ATOM 0 HG3 GLN A 54 103.483 0.725 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 54 105.045 0.637 -9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 54 106.582 -0.037 -8.676 1.00 0.00 H new ATOM 800 N ALA A 55 100.961 -3.236 -8.440 1.00 0.00 N ATOM 801 CA ALA A 55 100.625 -4.679 -8.610 1.00 0.00 C ATOM 802 C ALA A 55 100.533 -5.029 -10.097 1.00 0.00 C ATOM 803 O ALA A 55 100.826 -6.135 -10.504 1.00 0.00 O ATOM 804 CB ALA A 55 99.264 -4.851 -7.934 1.00 0.00 C ATOM 0 H ALA A 55 100.233 -2.672 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 55 101.382 -5.333 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.946 -5.890 -8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.343 -4.578 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.532 -4.208 -8.422 1.00 0.00 H new ATOM 810 N LYS A 56 100.128 -4.094 -10.913 1.00 0.00 N ATOM 811 CA LYS A 56 100.022 -4.377 -12.373 1.00 0.00 C ATOM 812 C LYS A 56 101.417 -4.583 -12.968 1.00 0.00 C ATOM 813 O LYS A 56 101.646 -5.490 -13.743 1.00 0.00 O ATOM 814 CB LYS A 56 99.360 -3.136 -12.972 1.00 0.00 C ATOM 815 CG LYS A 56 97.842 -3.254 -12.839 1.00 0.00 C ATOM 816 CD LYS A 56 97.243 -3.693 -14.176 1.00 0.00 C ATOM 817 CE LYS A 56 96.594 -2.488 -14.866 1.00 0.00 C ATOM 818 NZ LYS A 56 95.284 -2.303 -14.177 1.00 0.00 N ATOM 0 H LYS A 56 99.867 -3.149 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 56 99.449 -5.281 -12.580 1.00 0.00 H new ATOM 0 HB2 LYS A 56 99.712 -2.240 -12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 56 99.637 -3.034 -14.021 1.00 0.00 H new ATOM 0 HG2 LYS A 56 97.590 -3.975 -12.062 1.00 0.00 H new ATOM 0 HG3 LYS A 56 97.418 -2.297 -12.536 1.00 0.00 H new ATOM 0 HD2 LYS A 56 98.020 -4.116 -14.813 1.00 0.00 H new ATOM 0 HD3 LYS A 56 96.502 -4.476 -14.015 1.00 0.00 H new ATOM 0 HE2 LYS A 56 97.217 -1.598 -14.773 1.00 0.00 H new ATOM 0 HE3 LYS A 56 96.456 -2.671 -15.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 94.698 -1.636 -14.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 94.795 -3.218 -14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 95.445 -1.926 -13.221 1.00 0.00 H new ATOM 832 N LYS A 57 102.349 -3.744 -12.610 1.00 0.00 N ATOM 833 CA LYS A 57 103.726 -3.883 -13.147 1.00 0.00 C ATOM 834 C LYS A 57 104.295 -5.259 -12.793 1.00 0.00 C ATOM 835 O LYS A 57 105.045 -5.845 -13.548 1.00 0.00 O ATOM 836 CB LYS A 57 104.531 -2.780 -12.460 1.00 0.00 C ATOM 837 CG LYS A 57 105.043 -1.791 -13.508 1.00 0.00 C ATOM 838 CD LYS A 57 106.281 -2.373 -14.195 1.00 0.00 C ATOM 839 CE LYS A 57 107.145 -1.235 -14.742 1.00 0.00 C ATOM 840 NZ LYS A 57 106.382 -0.696 -15.901 1.00 0.00 N ATOM 0 H LYS A 57 102.213 -2.965 -11.965 1.00 0.00 H new ATOM 0 HA LYS A 57 103.756 -3.796 -14.233 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.909 -2.262 -11.730 1.00 0.00 H new ATOM 0 HB3 LYS A 57 105.369 -3.213 -11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.265 -1.590 -14.245 1.00 0.00 H new ATOM 0 HG3 LYS A 57 105.289 -0.839 -13.037 1.00 0.00 H new ATOM 0 HD2 LYS A 57 106.855 -2.971 -13.487 1.00 0.00 H new ATOM 0 HD3 LYS A 57 105.981 -3.038 -15.005 1.00 0.00 H new ATOM 0 HE2 LYS A 57 107.311 -0.467 -13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 57 108.126 -1.597 -15.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 107.044 -0.424 -16.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 105.731 -1.425 -16.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 105.837 0.138 -15.601 1.00 0.00 H new ATOM 854 N LEU A 58 103.946 -5.775 -11.646 1.00 0.00 N ATOM 855 CA LEU A 58 104.469 -7.108 -11.240 1.00 0.00 C ATOM 856 C LEU A 58 104.298 -8.112 -12.380 1.00 0.00 C ATOM 857 O LEU A 58 103.210 -8.583 -12.649 1.00 0.00 O ATOM 858 CB LEU A 58 103.627 -7.520 -10.032 1.00 0.00 C ATOM 859 CG LEU A 58 104.380 -7.177 -8.745 1.00 0.00 C ATOM 860 CD1 LEU A 58 103.375 -6.867 -7.636 1.00 0.00 C ATOM 861 CD2 LEU A 58 105.248 -8.366 -8.326 1.00 0.00 C ATOM 0 H LEU A 58 103.321 -5.330 -10.973 1.00 0.00 H new ATOM 0 HA LEU A 58 105.532 -7.076 -11.000 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.666 -7.005 -10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.417 -8.589 -10.069 1.00 0.00 H new ATOM 0 HG LEU A 58 105.015 -6.308 -8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 58 103.910 -6.622 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 58 102.756 -6.020 -7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.741 -7.737 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.784 -8.120 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.615 -9.236 -8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.965 -8.590 -9.116 1.00 0.00 H new ATOM 873 N ASP A 59 105.363 -8.442 -13.052 1.00 0.00 N ATOM 874 CA ASP A 59 105.261 -9.417 -14.176 1.00 0.00 C ATOM 875 C ASP A 59 104.369 -10.592 -13.766 1.00 0.00 C ATOM 876 O ASP A 59 103.452 -10.964 -14.471 1.00 0.00 O ATOM 877 CB ASP A 59 106.694 -9.887 -14.426 1.00 0.00 C ATOM 878 CG ASP A 59 106.734 -10.748 -15.690 1.00 0.00 C ATOM 879 OD1 ASP A 59 105.719 -10.826 -16.362 1.00 0.00 O ATOM 880 OD2 ASP A 59 107.779 -11.315 -15.963 1.00 0.00 O ATOM 0 H ASP A 59 106.300 -8.080 -12.874 1.00 0.00 H new ATOM 0 HA ASP A 59 104.820 -8.978 -15.071 1.00 0.00 H new ATOM 0 HB2 ASP A 59 107.356 -9.028 -14.537 1.00 0.00 H new ATOM 0 HB3 ASP A 59 107.055 -10.459 -13.571 1.00 0.00 H new ATOM 885 N SER A 60 104.631 -11.179 -12.629 1.00 0.00 N ATOM 886 CA SER A 60 103.799 -12.326 -12.174 1.00 0.00 C ATOM 887 C SER A 60 102.313 -11.975 -12.286 1.00 0.00 C ATOM 888 O SER A 60 101.483 -12.822 -12.550 1.00 0.00 O ATOM 889 CB SER A 60 104.190 -12.544 -10.713 1.00 0.00 C ATOM 890 OG SER A 60 105.053 -13.669 -10.621 1.00 0.00 O ATOM 0 H SER A 60 105.386 -10.912 -11.997 1.00 0.00 H new ATOM 0 HA SER A 60 103.961 -13.220 -12.776 1.00 0.00 H new ATOM 0 HB2 SER A 60 104.687 -11.657 -10.321 1.00 0.00 H new ATOM 0 HB3 SER A 60 103.299 -12.704 -10.106 1.00 0.00 H new ATOM 0 HG SER A 60 105.307 -13.811 -9.685 1.00 0.00 H new ATOM 896 N CYS A 61 101.973 -10.730 -12.088 1.00 0.00 N ATOM 897 CA CYS A 61 100.542 -10.322 -12.182 1.00 0.00 C ATOM 898 C CYS A 61 100.145 -10.126 -13.647 1.00 0.00 C ATOM 899 O CYS A 61 99.164 -10.671 -14.112 1.00 0.00 O ATOM 900 CB CYS A 61 100.457 -8.997 -11.425 1.00 0.00 C ATOM 901 SG CYS A 61 100.484 -9.312 -9.643 1.00 0.00 S ATOM 0 H CYS A 61 102.625 -9.978 -11.865 1.00 0.00 H new ATOM 0 HA CYS A 61 99.870 -11.073 -11.767 1.00 0.00 H new ATOM 0 HB2 CYS A 61 101.292 -8.354 -11.703 1.00 0.00 H new ATOM 0 HB3 CYS A 61 99.543 -8.469 -11.697 1.00 0.00 H new ATOM 906 N LYS A 62 100.900 -9.352 -14.378 1.00 0.00 N ATOM 907 CA LYS A 62 100.564 -9.124 -15.811 1.00 0.00 C ATOM 908 C LYS A 62 100.382 -10.466 -16.527 1.00 0.00 C ATOM 909 O LYS A 62 99.769 -10.543 -17.574 1.00 0.00 O ATOM 910 CB LYS A 62 101.761 -8.363 -16.384 1.00 0.00 C ATOM 911 CG LYS A 62 101.280 -7.400 -17.472 1.00 0.00 C ATOM 912 CD LYS A 62 102.479 -6.664 -18.075 1.00 0.00 C ATOM 913 CE LYS A 62 103.403 -7.672 -18.763 1.00 0.00 C ATOM 914 NZ LYS A 62 104.531 -6.862 -19.305 1.00 0.00 N ATOM 0 H LYS A 62 101.734 -8.868 -14.045 1.00 0.00 H new ATOM 0 HA LYS A 62 99.635 -8.568 -15.937 1.00 0.00 H new ATOM 0 HB2 LYS A 62 102.267 -7.811 -15.592 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.486 -9.063 -16.798 1.00 0.00 H new ATOM 0 HG2 LYS A 62 100.750 -7.950 -18.250 1.00 0.00 H new ATOM 0 HG3 LYS A 62 100.575 -6.683 -17.051 1.00 0.00 H new ATOM 0 HD2 LYS A 62 102.138 -5.918 -18.793 1.00 0.00 H new ATOM 0 HD3 LYS A 62 103.022 -6.131 -17.295 1.00 0.00 H new ATOM 0 HE2 LYS A 62 103.760 -8.423 -18.059 1.00 0.00 H new ATOM 0 HE3 LYS A 62 102.882 -8.204 -19.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 105.205 -7.487 -19.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 104.162 -6.160 -19.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 105.013 -6.373 -18.524 1.00 0.00 H new ATOM 928 N VAL A 63 100.907 -11.523 -15.970 1.00 0.00 N ATOM 929 CA VAL A 63 100.759 -12.858 -16.616 1.00 0.00 C ATOM 930 C VAL A 63 99.469 -13.535 -16.142 1.00 0.00 C ATOM 931 O VAL A 63 99.308 -14.734 -16.256 1.00 0.00 O ATOM 932 CB VAL A 63 101.982 -13.655 -16.161 1.00 0.00 C ATOM 933 CG1 VAL A 63 102.002 -15.013 -16.867 1.00 0.00 C ATOM 934 CG2 VAL A 63 103.253 -12.879 -16.515 1.00 0.00 C ATOM 0 H VAL A 63 101.432 -11.520 -15.096 1.00 0.00 H new ATOM 0 HA VAL A 63 100.699 -12.788 -17.702 1.00 0.00 H new ATOM 0 HB VAL A 63 101.935 -13.809 -15.083 1.00 0.00 H new ATOM 0 HG11 VAL A 63 102.874 -15.580 -16.541 1.00 0.00 H new ATOM 0 HG12 VAL A 63 101.096 -15.566 -16.618 1.00 0.00 H new ATOM 0 HG13 VAL A 63 102.049 -14.862 -17.945 1.00 0.00 H new ATOM 0 HG21 VAL A 63 104.127 -13.445 -16.192 1.00 0.00 H new ATOM 0 HG22 VAL A 63 103.298 -12.727 -17.593 1.00 0.00 H new ATOM 0 HG23 VAL A 63 103.241 -11.912 -16.012 1.00 0.00 H new ATOM 944 N LEU A 64 98.550 -12.776 -15.609 1.00 0.00 N ATOM 945 CA LEU A 64 97.272 -13.376 -15.129 1.00 0.00 C ATOM 946 C LEU A 64 96.095 -12.812 -15.929 1.00 0.00 C ATOM 947 O LEU A 64 95.560 -13.460 -16.807 1.00 0.00 O ATOM 948 CB LEU A 64 97.168 -12.961 -13.660 1.00 0.00 C ATOM 949 CG LEU A 64 97.898 -13.983 -12.788 1.00 0.00 C ATOM 950 CD1 LEU A 64 97.179 -15.331 -12.869 1.00 0.00 C ATOM 951 CD2 LEU A 64 99.337 -14.141 -13.285 1.00 0.00 C ATOM 0 H LEU A 64 98.629 -11.767 -15.485 1.00 0.00 H new ATOM 0 HA LEU A 64 97.251 -14.459 -15.249 1.00 0.00 H new ATOM 0 HB2 LEU A 64 97.602 -11.971 -13.519 1.00 0.00 H new ATOM 0 HB3 LEU A 64 96.121 -12.895 -13.363 1.00 0.00 H new ATOM 0 HG LEU A 64 97.906 -13.638 -11.754 1.00 0.00 H new ATOM 0 HD11 LEU A 64 97.700 -16.059 -12.247 1.00 0.00 H new ATOM 0 HD12 LEU A 64 96.154 -15.219 -12.515 1.00 0.00 H new ATOM 0 HD13 LEU A 64 97.170 -15.677 -13.903 1.00 0.00 H new ATOM 0 HD21 LEU A 64 99.858 -14.869 -12.664 1.00 0.00 H new ATOM 0 HD22 LEU A 64 99.329 -14.485 -14.319 1.00 0.00 H new ATOM 0 HD23 LEU A 64 99.850 -13.181 -13.226 1.00 0.00 H new ATOM 963 N VAL A 65 95.693 -11.606 -15.636 1.00 0.00 N ATOM 964 CA VAL A 65 94.560 -10.992 -16.376 1.00 0.00 C ATOM 965 C VAL A 65 94.682 -9.473 -16.358 1.00 0.00 C ATOM 966 O VAL A 65 93.732 -8.746 -16.572 1.00 0.00 O ATOM 967 CB VAL A 65 93.315 -11.450 -15.628 1.00 0.00 C ATOM 968 CG1 VAL A 65 92.102 -10.634 -16.081 1.00 0.00 C ATOM 969 CG2 VAL A 65 93.061 -12.932 -15.909 1.00 0.00 C ATOM 0 H VAL A 65 96.104 -11.018 -14.911 1.00 0.00 H new ATOM 0 HA VAL A 65 94.534 -11.288 -17.425 1.00 0.00 H new ATOM 0 HB VAL A 65 93.470 -11.301 -14.559 1.00 0.00 H new ATOM 0 HG11 VAL A 65 91.216 -10.968 -15.541 1.00 0.00 H new ATOM 0 HG12 VAL A 65 92.276 -9.578 -15.874 1.00 0.00 H new ATOM 0 HG13 VAL A 65 91.949 -10.774 -17.151 1.00 0.00 H new ATOM 0 HG21 VAL A 65 92.170 -13.257 -15.372 1.00 0.00 H new ATOM 0 HG22 VAL A 65 92.914 -13.080 -16.979 1.00 0.00 H new ATOM 0 HG23 VAL A 65 93.918 -13.518 -15.576 1.00 0.00 H new ATOM 979 N ASP A 66 95.859 -9.010 -16.111 1.00 0.00 N ATOM 980 CA ASP A 66 96.121 -7.538 -16.072 1.00 0.00 C ATOM 981 C ASP A 66 94.924 -6.791 -15.476 1.00 0.00 C ATOM 982 O ASP A 66 94.311 -5.965 -16.124 1.00 0.00 O ATOM 983 CB ASP A 66 96.330 -7.134 -17.531 1.00 0.00 C ATOM 984 CG ASP A 66 97.097 -5.811 -17.592 1.00 0.00 C ATOM 985 OD1 ASP A 66 97.696 -5.450 -16.592 1.00 0.00 O ATOM 986 OD2 ASP A 66 97.073 -5.182 -18.637 1.00 0.00 O ATOM 0 H ASP A 66 96.677 -9.592 -15.929 1.00 0.00 H new ATOM 0 HA ASP A 66 96.982 -7.294 -15.450 1.00 0.00 H new ATOM 0 HB2 ASP A 66 96.883 -7.911 -18.059 1.00 0.00 H new ATOM 0 HB3 ASP A 66 95.367 -7.032 -18.032 1.00 0.00 H new ATOM 991 N ASN A 67 94.582 -7.072 -14.248 1.00 0.00 N ATOM 992 CA ASN A 67 93.422 -6.374 -13.623 1.00 0.00 C ATOM 993 C ASN A 67 93.306 -6.755 -12.145 1.00 0.00 C ATOM 994 O ASN A 67 92.595 -7.676 -11.794 1.00 0.00 O ATOM 995 CB ASN A 67 92.200 -6.864 -14.398 1.00 0.00 C ATOM 996 CG ASN A 67 91.178 -5.732 -14.509 1.00 0.00 C ATOM 997 OD1 ASN A 67 91.077 -4.901 -13.628 1.00 0.00 O ATOM 998 ND2 ASN A 67 90.410 -5.665 -15.562 1.00 0.00 N ATOM 0 H ASN A 67 95.054 -7.752 -13.652 1.00 0.00 H new ATOM 0 HA ASN A 67 93.524 -5.290 -13.664 1.00 0.00 H new ATOM 0 HB2 ASN A 67 92.497 -7.199 -15.392 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.755 -7.721 -13.892 1.00 0.00 H new ATOM 0 HD21 ASN A 67 89.724 -4.915 -15.646 1.00 0.00 H new ATOM 0 HD22 ASN A 67 90.496 -6.363 -16.301 1.00 0.00 H new ATOM 1005 N PRO A 68 94.012 -6.024 -11.327 1.00 0.00 N ATOM 1006 CA PRO A 68 93.992 -6.280 -9.867 1.00 0.00 C ATOM 1007 C PRO A 68 92.700 -5.739 -9.248 1.00 0.00 C ATOM 1008 O PRO A 68 92.727 -4.967 -8.310 1.00 0.00 O ATOM 1009 CB PRO A 68 95.203 -5.508 -9.354 1.00 0.00 C ATOM 1010 CG PRO A 68 95.436 -4.424 -10.361 1.00 0.00 C ATOM 1011 CD PRO A 68 94.888 -4.904 -11.682 1.00 0.00 C ATOM 0 HA PRO A 68 94.029 -7.340 -9.616 1.00 0.00 H new ATOM 0 HB2 PRO A 68 95.014 -5.092 -8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 68 96.074 -6.157 -9.266 1.00 0.00 H new ATOM 0 HG2 PRO A 68 94.942 -3.503 -10.053 1.00 0.00 H new ATOM 0 HG3 PRO A 68 96.500 -4.202 -10.446 1.00 0.00 H new ATOM 0 HD2 PRO A 68 94.337 -4.115 -12.194 1.00 0.00 H new ATOM 0 HD3 PRO A 68 95.687 -5.221 -12.352 1.00 0.00 H new ATOM 1019 N TYR A 69 91.568 -6.136 -9.765 1.00 0.00 N ATOM 1020 CA TYR A 69 90.279 -5.639 -9.201 1.00 0.00 C ATOM 1021 C TYR A 69 89.177 -6.689 -9.377 1.00 0.00 C ATOM 1022 O TYR A 69 88.038 -6.363 -9.645 1.00 0.00 O ATOM 1023 CB TYR A 69 89.952 -4.382 -10.007 1.00 0.00 C ATOM 1024 CG TYR A 69 89.111 -3.438 -9.158 1.00 0.00 C ATOM 1025 CD1 TYR A 69 89.734 -2.491 -8.338 1.00 0.00 C ATOM 1026 CD2 TYR A 69 87.714 -3.518 -9.198 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.961 -1.623 -7.557 1.00 0.00 C ATOM 1028 CE2 TYR A 69 86.940 -2.651 -8.416 1.00 0.00 C ATOM 1029 CZ TYR A 69 87.565 -1.703 -7.596 1.00 0.00 C ATOM 1030 OH TYR A 69 86.802 -0.848 -6.826 1.00 0.00 O ATOM 0 H TYR A 69 91.480 -6.781 -10.551 1.00 0.00 H new ATOM 0 HA TYR A 69 90.352 -5.434 -8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 69 90.872 -3.887 -10.317 1.00 0.00 H new ATOM 0 HB3 TYR A 69 89.412 -4.650 -10.915 1.00 0.00 H new ATOM 0 HD1 TYR A 69 90.812 -2.429 -8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 69 87.233 -4.248 -9.832 1.00 0.00 H new ATOM 0 HE1 TYR A 69 89.443 -0.892 -6.925 1.00 0.00 H new ATOM 0 HE2 TYR A 69 85.862 -2.714 -8.445 1.00 0.00 H new ATOM 0 HH TYR A 69 86.369 -0.185 -7.404 1.00 0.00 H new ATOM 1040 N THR A 70 89.504 -7.945 -9.221 1.00 0.00 N ATOM 1041 CA THR A 70 88.473 -9.006 -9.375 1.00 0.00 C ATOM 1042 C THR A 70 89.102 -10.392 -9.193 1.00 0.00 C ATOM 1043 O THR A 70 88.724 -11.345 -9.844 1.00 0.00 O ATOM 1044 CB THR A 70 87.936 -8.844 -10.797 1.00 0.00 C ATOM 1045 OG1 THR A 70 87.071 -9.930 -11.100 1.00 0.00 O ATOM 1046 CG2 THR A 70 89.101 -8.827 -11.787 1.00 0.00 C ATOM 0 H THR A 70 90.441 -8.279 -8.994 1.00 0.00 H new ATOM 0 HA THR A 70 87.682 -8.917 -8.630 1.00 0.00 H new ATOM 0 HB THR A 70 87.385 -7.906 -10.873 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.559 -10.774 -11.002 1.00 0.00 H new ATOM 0 HG21 THR A 70 88.716 -8.711 -12.800 1.00 0.00 H new ATOM 0 HG22 THR A 70 89.764 -7.994 -11.554 1.00 0.00 H new ATOM 0 HG23 THR A 70 89.654 -9.763 -11.714 1.00 0.00 H new ATOM 1054 N ASN A 71 90.057 -10.511 -8.311 1.00 0.00 N ATOM 1055 CA ASN A 71 90.704 -11.837 -8.090 1.00 0.00 C ATOM 1056 C ASN A 71 89.986 -12.597 -6.971 1.00 0.00 C ATOM 1057 O ASN A 71 89.087 -12.081 -6.337 1.00 0.00 O ATOM 1058 CB ASN A 71 92.142 -11.515 -7.683 1.00 0.00 C ATOM 1059 CG ASN A 71 93.023 -12.746 -7.906 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.634 -13.667 -8.598 1.00 0.00 O ATOM 1061 ND2 ASN A 71 94.201 -12.804 -7.347 1.00 0.00 N ATOM 0 H ASN A 71 90.417 -9.750 -7.735 1.00 0.00 H new ATOM 0 HA ASN A 71 90.664 -12.468 -8.978 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.517 -10.675 -8.268 1.00 0.00 H new ATOM 0 HB3 ASN A 71 92.176 -11.215 -6.636 1.00 0.00 H new ATOM 0 HD21 ASN A 71 94.794 -13.621 -7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 71 94.528 -12.032 -6.766 1.00 0.00 H new ATOM 1068 N ASN A 72 90.375 -13.817 -6.725 1.00 0.00 N ATOM 1069 CA ASN A 72 89.713 -14.605 -5.645 1.00 0.00 C ATOM 1070 C ASN A 72 89.592 -13.760 -4.374 1.00 0.00 C ATOM 1071 O ASN A 72 88.508 -13.412 -3.950 1.00 0.00 O ATOM 1072 CB ASN A 72 90.632 -15.803 -5.410 1.00 0.00 C ATOM 1073 CG ASN A 72 90.200 -16.964 -6.306 1.00 0.00 C ATOM 1074 OD1 ASN A 72 89.079 -17.424 -6.227 1.00 0.00 O ATOM 1075 ND2 ASN A 72 91.051 -17.460 -7.163 1.00 0.00 N ATOM 0 H ASN A 72 91.121 -14.303 -7.223 1.00 0.00 H new ATOM 0 HA ASN A 72 88.704 -14.914 -5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 72 91.665 -15.529 -5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 72 90.593 -16.104 -4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 72 90.774 -18.234 -7.767 1.00 0.00 H new ATOM 0 HD22 ASN A 72 91.993 -17.073 -7.229 1.00 0.00 H new ATOM 1082 N TYR A 73 90.697 -13.429 -3.761 1.00 0.00 N ATOM 1083 CA TYR A 73 90.642 -12.607 -2.517 1.00 0.00 C ATOM 1084 C TYR A 73 89.838 -13.337 -1.438 1.00 0.00 C ATOM 1085 O TYR A 73 88.683 -13.664 -1.625 1.00 0.00 O ATOM 1086 CB TYR A 73 89.938 -11.312 -2.926 1.00 0.00 C ATOM 1087 CG TYR A 73 90.432 -10.170 -2.068 1.00 0.00 C ATOM 1088 CD1 TYR A 73 90.965 -10.423 -0.796 1.00 0.00 C ATOM 1089 CD2 TYR A 73 90.356 -8.855 -2.544 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.420 -9.362 -0.004 1.00 0.00 C ATOM 1091 CE2 TYR A 73 90.812 -7.795 -1.751 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.343 -8.049 -0.481 1.00 0.00 C ATOM 1093 OH TYR A 73 91.792 -7.002 0.299 1.00 0.00 O ATOM 0 H TYR A 73 91.634 -13.692 -4.067 1.00 0.00 H new ATOM 0 HA TYR A 73 91.632 -12.418 -2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 73 90.130 -11.099 -3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 73 88.859 -11.423 -2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.025 -11.436 -0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 73 89.945 -8.658 -3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 73 91.831 -9.557 0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 73 90.754 -6.781 -2.119 1.00 0.00 H new ATOM 0 HH TYR A 73 91.296 -6.988 1.144 1.00 0.00 H new ATOM 1103 N SER A 74 90.441 -13.596 -0.311 1.00 0.00 N ATOM 1104 CA SER A 74 89.713 -14.305 0.780 1.00 0.00 C ATOM 1105 C SER A 74 90.487 -14.177 2.095 1.00 0.00 C ATOM 1106 O SER A 74 91.067 -15.128 2.580 1.00 0.00 O ATOM 1107 CB SER A 74 89.656 -15.765 0.332 1.00 0.00 C ATOM 1108 OG SER A 74 89.445 -16.595 1.465 1.00 0.00 O ATOM 0 H SER A 74 91.407 -13.347 -0.098 1.00 0.00 H new ATOM 0 HA SER A 74 88.719 -13.893 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 74 88.852 -15.905 -0.390 1.00 0.00 H new ATOM 0 HB3 SER A 74 90.585 -16.041 -0.167 1.00 0.00 H new ATOM 0 HG SER A 74 90.226 -16.547 2.056 1.00 0.00 H new ATOM 1114 N TYR A 75 90.504 -13.007 2.670 1.00 0.00 N ATOM 1115 CA TYR A 75 91.245 -12.815 3.949 1.00 0.00 C ATOM 1116 C TYR A 75 90.343 -13.137 5.142 1.00 0.00 C ATOM 1117 O TYR A 75 89.151 -13.323 5.003 1.00 0.00 O ATOM 1118 CB TYR A 75 91.638 -11.339 3.958 1.00 0.00 C ATOM 1119 CG TYR A 75 90.390 -10.483 4.134 1.00 0.00 C ATOM 1120 CD1 TYR A 75 89.836 -10.308 5.407 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.798 -9.872 3.022 1.00 0.00 C ATOM 1122 CE1 TYR A 75 88.689 -9.522 5.570 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.650 -9.088 3.185 1.00 0.00 C ATOM 1124 CZ TYR A 75 88.096 -8.912 4.458 1.00 0.00 C ATOM 1125 OH TYR A 75 86.965 -8.138 4.618 1.00 0.00 O ATOM 0 H TYR A 75 90.037 -12.175 2.310 1.00 0.00 H new ATOM 0 HA TYR A 75 92.112 -13.471 4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.343 -11.144 4.766 1.00 0.00 H new ATOM 0 HB3 TYR A 75 92.142 -11.080 3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 75 90.293 -10.780 6.264 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.227 -10.005 2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 75 88.262 -9.386 6.553 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.191 -8.618 2.327 1.00 0.00 H new ATOM 0 HH TYR A 75 86.911 -7.484 3.890 1.00 0.00 H new ATOM 1135 N SER A 76 90.906 -13.196 6.317 1.00 0.00 N ATOM 1136 CA SER A 76 90.088 -13.497 7.525 1.00 0.00 C ATOM 1137 C SER A 76 90.295 -12.404 8.575 1.00 0.00 C ATOM 1138 O SER A 76 91.167 -11.571 8.447 1.00 0.00 O ATOM 1139 CB SER A 76 90.609 -14.839 8.034 1.00 0.00 C ATOM 1140 OG SER A 76 89.586 -15.819 7.904 1.00 0.00 O ATOM 0 H SER A 76 91.900 -13.048 6.493 1.00 0.00 H new ATOM 0 HA SER A 76 89.021 -13.536 7.308 1.00 0.00 H new ATOM 0 HB2 SER A 76 91.490 -15.139 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 76 90.915 -14.752 9.077 1.00 0.00 H new ATOM 0 HG SER A 76 89.917 -16.683 8.228 1.00 0.00 H new ATOM 1146 N CYS A 77 89.504 -12.395 9.610 1.00 0.00 N ATOM 1147 CA CYS A 77 89.676 -11.347 10.656 1.00 0.00 C ATOM 1148 C CYS A 77 89.987 -11.990 12.001 1.00 0.00 C ATOM 1149 O CYS A 77 89.804 -13.174 12.203 1.00 0.00 O ATOM 1150 CB CYS A 77 88.344 -10.604 10.714 1.00 0.00 C ATOM 1151 SG CYS A 77 88.345 -9.418 12.082 1.00 0.00 S ATOM 0 H CYS A 77 88.751 -13.062 9.778 1.00 0.00 H new ATOM 0 HA CYS A 77 90.502 -10.674 10.425 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.169 -10.083 9.773 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.528 -11.316 10.841 1.00 0.00 H new ATOM 1156 N SER A 78 90.457 -11.205 12.918 1.00 0.00 N ATOM 1157 CA SER A 78 90.797 -11.734 14.273 1.00 0.00 C ATOM 1158 C SER A 78 91.616 -10.701 15.050 1.00 0.00 C ATOM 1159 O SER A 78 92.399 -9.964 14.482 1.00 0.00 O ATOM 1160 CB SER A 78 91.628 -12.993 14.019 1.00 0.00 C ATOM 1161 OG SER A 78 90.918 -14.129 14.495 1.00 0.00 O ATOM 0 H SER A 78 90.625 -10.207 12.793 1.00 0.00 H new ATOM 0 HA SER A 78 89.907 -11.950 14.864 1.00 0.00 H new ATOM 0 HB2 SER A 78 91.833 -13.098 12.954 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.591 -12.915 14.523 1.00 0.00 H new ATOM 0 HG SER A 78 90.172 -14.325 13.891 1.00 0.00 H new ATOM 1167 N ASN A 79 91.444 -10.642 16.343 1.00 0.00 N ATOM 1168 CA ASN A 79 92.213 -9.654 17.155 1.00 0.00 C ATOM 1169 C ASN A 79 92.265 -8.309 16.431 1.00 0.00 C ATOM 1170 O ASN A 79 93.319 -7.730 16.248 1.00 0.00 O ATOM 1171 CB ASN A 79 93.614 -10.253 17.287 1.00 0.00 C ATOM 1172 CG ASN A 79 93.520 -11.643 17.917 1.00 0.00 C ATOM 1173 OD1 ASN A 79 93.082 -11.784 19.042 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.914 -12.683 17.236 1.00 0.00 N ATOM 0 H ASN A 79 90.805 -11.235 16.872 1.00 0.00 H new ATOM 0 HA ASN A 79 91.758 -9.472 18.129 1.00 0.00 H new ATOM 0 HB2 ASN A 79 94.087 -10.318 16.307 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.241 -9.606 17.901 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.855 -13.614 17.647 1.00 0.00 H new ATOM 0 HD22 ASN A 79 94.282 -12.565 16.292 1.00 0.00 H new ATOM 1181 N ASN A 80 91.133 -7.813 16.014 1.00 0.00 N ATOM 1182 CA ASN A 80 91.098 -6.519 15.296 1.00 0.00 C ATOM 1183 C ASN A 80 92.242 -6.465 14.295 1.00 0.00 C ATOM 1184 O ASN A 80 92.873 -5.449 14.089 1.00 0.00 O ATOM 1185 CB ASN A 80 91.242 -5.456 16.377 1.00 0.00 C ATOM 1186 CG ASN A 80 90.365 -5.797 17.555 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.253 -6.401 17.341 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 90.697 -5.507 18.687 1.00 0.00 N flip ATOM 0 H ASN A 80 90.224 -8.258 16.144 1.00 0.00 H new ATOM 0 HA ASN A 80 90.179 -6.370 14.729 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.282 -5.388 16.695 1.00 0.00 H new ATOM 0 HB3 ASN A 80 90.966 -4.480 15.978 1.00 0.00 H new ATOM 0 HD21 ASN A 80 91.582 -5.027 18.852 1.00 0.00 H new ATOM 0 HD22 ASN A 80 90.091 -5.744 19.473 1.00 0.00 H new ATOM 1195 N GLU A 81 92.498 -7.574 13.673 1.00 0.00 N ATOM 1196 CA GLU A 81 93.585 -7.643 12.670 1.00 0.00 C ATOM 1197 C GLU A 81 93.115 -8.396 11.427 1.00 0.00 C ATOM 1198 O GLU A 81 92.200 -9.193 11.476 1.00 0.00 O ATOM 1199 CB GLU A 81 94.720 -8.395 13.355 1.00 0.00 C ATOM 1200 CG GLU A 81 95.421 -7.456 14.329 1.00 0.00 C ATOM 1201 CD GLU A 81 96.928 -7.475 14.068 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.426 -8.514 13.667 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.558 -6.450 14.272 1.00 0.00 O ATOM 0 H GLU A 81 91.993 -8.448 13.819 1.00 0.00 H new ATOM 0 HA GLU A 81 93.898 -6.652 12.340 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.330 -9.264 13.885 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.428 -8.765 12.613 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.035 -6.443 14.214 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.216 -7.761 15.355 1.00 0.00 H new ATOM 1210 N ILE A 82 93.736 -8.146 10.312 1.00 0.00 N ATOM 1211 CA ILE A 82 93.326 -8.840 9.058 1.00 0.00 C ATOM 1212 C ILE A 82 94.194 -10.078 8.817 1.00 0.00 C ATOM 1213 O ILE A 82 95.388 -10.068 9.042 1.00 0.00 O ATOM 1214 CB ILE A 82 93.533 -7.808 7.949 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.504 -6.686 8.108 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.350 -8.473 6.582 1.00 0.00 C ATOM 1217 CD1 ILE A 82 92.656 -5.684 6.963 1.00 0.00 C ATOM 0 H ILE A 82 94.511 -7.491 10.212 1.00 0.00 H new ATOM 0 HA ILE A 82 92.295 -9.190 9.102 1.00 0.00 H new ATOM 0 HB ILE A 82 94.541 -7.399 8.018 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.496 -7.101 8.110 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.644 -6.184 9.065 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.498 -7.734 5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.078 -9.276 6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.343 -8.883 6.509 1.00 0.00 H new ATOM 0 HD11 ILE A 82 91.922 -4.886 7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 82 93.660 -5.260 6.982 1.00 0.00 H new ATOM 0 HD13 ILE A 82 92.494 -6.191 6.012 1.00 0.00 H new ATOM 1229 N THR A 83 93.595 -11.142 8.361 1.00 0.00 N ATOM 1230 CA THR A 83 94.368 -12.389 8.101 1.00 0.00 C ATOM 1231 C THR A 83 94.333 -12.723 6.603 1.00 0.00 C ATOM 1232 O THR A 83 93.321 -13.134 6.074 1.00 0.00 O ATOM 1233 CB THR A 83 93.648 -13.463 8.931 1.00 0.00 C ATOM 1234 OG1 THR A 83 94.193 -13.484 10.242 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.818 -14.841 8.288 1.00 0.00 C ATOM 0 H THR A 83 92.598 -11.202 8.156 1.00 0.00 H new ATOM 0 HA THR A 83 95.420 -12.306 8.373 1.00 0.00 H new ATOM 0 HB THR A 83 92.585 -13.224 8.972 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.735 -14.167 10.776 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.302 -15.589 8.889 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.396 -14.828 7.283 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.878 -15.088 8.233 1.00 0.00 H new ATOM 1243 N CYS A 84 95.431 -12.549 5.919 1.00 0.00 N ATOM 1244 CA CYS A 84 95.457 -12.856 4.458 1.00 0.00 C ATOM 1245 C CYS A 84 95.875 -14.312 4.229 1.00 0.00 C ATOM 1246 O CYS A 84 96.919 -14.743 4.672 1.00 0.00 O ATOM 1247 CB CYS A 84 96.498 -11.904 3.869 1.00 0.00 C ATOM 1248 SG CYS A 84 95.763 -10.266 3.640 1.00 0.00 S ATOM 0 H CYS A 84 96.311 -12.208 6.307 1.00 0.00 H new ATOM 0 HA CYS A 84 94.479 -12.729 3.994 1.00 0.00 H new ATOM 0 HB2 CYS A 84 97.361 -11.837 4.532 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.858 -12.288 2.915 1.00 0.00 H new ATOM 1253 N SER A 85 95.067 -15.069 3.537 1.00 0.00 N ATOM 1254 CA SER A 85 95.421 -16.495 3.279 1.00 0.00 C ATOM 1255 C SER A 85 96.814 -16.589 2.652 1.00 0.00 C ATOM 1256 O SER A 85 97.226 -15.730 1.897 1.00 0.00 O ATOM 1257 CB SER A 85 94.358 -16.999 2.302 1.00 0.00 C ATOM 1258 OG SER A 85 94.883 -18.092 1.561 1.00 0.00 O ATOM 0 H SER A 85 94.179 -14.763 3.140 1.00 0.00 H new ATOM 0 HA SER A 85 95.444 -17.086 4.195 1.00 0.00 H new ATOM 0 HB2 SER A 85 93.465 -17.308 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.058 -16.197 1.627 1.00 0.00 H new ATOM 0 HG SER A 85 94.154 -18.549 1.091 1.00 0.00 H new ATOM 1264 N SER A 86 97.545 -17.624 2.960 1.00 0.00 N ATOM 1265 CA SER A 86 98.912 -17.770 2.384 1.00 0.00 C ATOM 1266 C SER A 86 98.828 -18.253 0.934 1.00 0.00 C ATOM 1267 O SER A 86 99.755 -18.094 0.164 1.00 0.00 O ATOM 1268 CB SER A 86 99.601 -18.815 3.260 1.00 0.00 C ATOM 1269 OG SER A 86 98.966 -20.073 3.076 1.00 0.00 O ATOM 0 H SER A 86 97.255 -18.376 3.586 1.00 0.00 H new ATOM 0 HA SER A 86 99.457 -16.826 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 86 100.657 -18.886 2.999 1.00 0.00 H new ATOM 0 HB3 SER A 86 99.550 -18.519 4.308 1.00 0.00 H new ATOM 0 HG SER A 86 99.406 -20.747 3.635 1.00 0.00 H new ATOM 1275 N GLU A 87 97.726 -18.836 0.554 1.00 0.00 N ATOM 1276 CA GLU A 87 97.590 -19.321 -0.848 1.00 0.00 C ATOM 1277 C GLU A 87 97.843 -18.170 -1.821 1.00 0.00 C ATOM 1278 O GLU A 87 98.241 -18.372 -2.951 1.00 0.00 O ATOM 1279 CB GLU A 87 96.149 -19.813 -0.960 1.00 0.00 C ATOM 1280 CG GLU A 87 96.074 -21.279 -0.534 1.00 0.00 C ATOM 1281 CD GLU A 87 94.619 -21.657 -0.263 1.00 0.00 C ATOM 1282 OE1 GLU A 87 93.813 -20.755 -0.099 1.00 0.00 O ATOM 1283 OE2 GLU A 87 94.332 -22.843 -0.221 1.00 0.00 O ATOM 0 H GLU A 87 96.915 -18.998 1.151 1.00 0.00 H new ATOM 0 HA GLU A 87 98.305 -20.108 -1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 87 95.497 -19.207 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 87 95.795 -19.703 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 87 96.487 -21.917 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 87 96.675 -21.440 0.361 1.00 0.00 H new ATOM 1290 N ASN A 88 97.613 -16.961 -1.389 1.00 0.00 N ATOM 1291 CA ASN A 88 97.839 -15.796 -2.283 1.00 0.00 C ATOM 1292 C ASN A 88 99.259 -15.841 -2.856 1.00 0.00 C ATOM 1293 O ASN A 88 100.225 -15.600 -2.159 1.00 0.00 O ATOM 1294 CB ASN A 88 97.659 -14.568 -1.389 1.00 0.00 C ATOM 1295 CG ASN A 88 96.284 -14.619 -0.722 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.630 -15.643 -0.726 1.00 0.00 O ATOM 1297 ND2 ASN A 88 95.813 -13.547 -0.144 1.00 0.00 N ATOM 0 H ASN A 88 97.278 -16.731 -0.453 1.00 0.00 H new ATOM 0 HA ASN A 88 97.153 -15.785 -3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.442 -14.539 -0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 88 97.754 -13.657 -1.980 1.00 0.00 H new ATOM 0 HD21 ASN A 88 94.897 -13.570 0.304 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.361 -12.687 -0.140 1.00 0.00 H new ATOM 1304 N ASN A 89 99.395 -16.155 -4.116 1.00 0.00 N ATOM 1305 CA ASN A 89 100.757 -16.221 -4.723 1.00 0.00 C ATOM 1306 C ASN A 89 101.389 -14.830 -4.771 1.00 0.00 C ATOM 1307 O ASN A 89 100.791 -13.850 -4.376 1.00 0.00 O ATOM 1308 CB ASN A 89 100.545 -16.756 -6.138 1.00 0.00 C ATOM 1309 CG ASN A 89 99.452 -15.945 -6.834 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.888 -15.038 -6.253 1.00 0.00 O ATOM 1311 ND2 ASN A 89 99.127 -16.231 -8.066 1.00 0.00 N ATOM 0 H ASN A 89 98.625 -16.368 -4.750 1.00 0.00 H new ATOM 0 HA ASN A 89 101.427 -16.856 -4.144 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.474 -16.694 -6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.264 -17.808 -6.101 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.401 -15.694 -8.540 1.00 0.00 H new ATOM 0 HD22 ASN A 89 99.599 -16.992 -8.555 1.00 0.00 H new ATOM 1318 N ALA A 90 102.599 -14.745 -5.255 1.00 0.00 N ATOM 1319 CA ALA A 90 103.290 -13.425 -5.335 1.00 0.00 C ATOM 1320 C ALA A 90 102.308 -12.328 -5.760 1.00 0.00 C ATOM 1321 O ALA A 90 102.303 -11.243 -5.213 1.00 0.00 O ATOM 1322 CB ALA A 90 104.375 -13.615 -6.395 1.00 0.00 C ATOM 0 H ALA A 90 103.141 -15.537 -5.600 1.00 0.00 H new ATOM 0 HA ALA A 90 103.703 -13.118 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.932 -12.686 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 90 105.054 -14.408 -6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.913 -13.887 -7.344 1.00 0.00 H new ATOM 1328 N CYS A 91 101.480 -12.600 -6.730 1.00 0.00 N ATOM 1329 CA CYS A 91 100.503 -11.569 -7.185 1.00 0.00 C ATOM 1330 C CYS A 91 99.352 -11.441 -6.184 1.00 0.00 C ATOM 1331 O CYS A 91 99.043 -10.365 -5.712 1.00 0.00 O ATOM 1332 CB CYS A 91 99.984 -12.079 -8.529 1.00 0.00 C ATOM 1333 SG CYS A 91 99.091 -10.749 -9.372 1.00 0.00 S ATOM 0 H CYS A 91 101.437 -13.490 -7.227 1.00 0.00 H new ATOM 0 HA CYS A 91 100.960 -10.583 -7.268 1.00 0.00 H new ATOM 0 HB2 CYS A 91 100.815 -12.422 -9.146 1.00 0.00 H new ATOM 0 HB3 CYS A 91 99.326 -12.934 -8.376 1.00 0.00 H new ATOM 1338 N GLU A 92 98.712 -12.531 -5.860 1.00 0.00 N ATOM 1339 CA GLU A 92 97.578 -12.470 -4.894 1.00 0.00 C ATOM 1340 C GLU A 92 98.059 -11.948 -3.537 1.00 0.00 C ATOM 1341 O GLU A 92 97.317 -11.323 -2.805 1.00 0.00 O ATOM 1342 CB GLU A 92 97.084 -13.911 -4.771 1.00 0.00 C ATOM 1343 CG GLU A 92 95.745 -13.931 -4.033 1.00 0.00 C ATOM 1344 CD GLU A 92 94.801 -14.925 -4.711 1.00 0.00 C ATOM 1345 OE1 GLU A 92 95.209 -15.522 -5.695 1.00 0.00 O ATOM 1346 OE2 GLU A 92 93.688 -15.072 -4.238 1.00 0.00 O ATOM 0 H GLU A 92 98.925 -13.461 -6.222 1.00 0.00 H new ATOM 0 HA GLU A 92 96.790 -11.796 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 92 96.972 -14.354 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 92 97.817 -14.513 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.897 -14.211 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.303 -12.935 -4.034 1.00 0.00 H new ATOM 1353 N ALA A 93 99.293 -12.201 -3.192 1.00 0.00 N ATOM 1354 CA ALA A 93 99.810 -11.714 -1.878 1.00 0.00 C ATOM 1355 C ALA A 93 99.974 -10.193 -1.908 1.00 0.00 C ATOM 1356 O ALA A 93 99.678 -9.509 -0.948 1.00 0.00 O ATOM 1357 CB ALA A 93 101.167 -12.395 -1.701 1.00 0.00 C ATOM 0 H ALA A 93 99.963 -12.721 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 93 99.131 -11.947 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.609 -12.085 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 93 101.034 -13.477 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.827 -12.110 -2.520 1.00 0.00 H new ATOM 1363 N PHE A 94 100.444 -9.660 -3.001 1.00 0.00 N ATOM 1364 CA PHE A 94 100.627 -8.183 -3.092 1.00 0.00 C ATOM 1365 C PHE A 94 99.276 -7.473 -2.986 1.00 0.00 C ATOM 1366 O PHE A 94 99.172 -6.399 -2.427 1.00 0.00 O ATOM 1367 CB PHE A 94 101.252 -7.945 -4.468 1.00 0.00 C ATOM 1368 CG PHE A 94 101.735 -6.517 -4.556 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.846 -5.501 -4.925 1.00 0.00 C ATOM 1370 CD2 PHE A 94 103.069 -6.210 -4.268 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.291 -4.177 -5.006 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.515 -4.884 -4.349 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.625 -3.869 -4.718 1.00 0.00 C ATOM 0 H PHE A 94 100.710 -10.183 -3.836 1.00 0.00 H new ATOM 0 HA PHE A 94 101.252 -7.795 -2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 94 102.083 -8.633 -4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.521 -8.143 -5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.816 -5.739 -5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.755 -6.994 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.605 -3.393 -5.291 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.545 -4.646 -4.127 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.968 -2.847 -4.781 1.00 0.00 H new ATOM 1383 N ILE A 95 98.237 -8.062 -3.515 1.00 0.00 N ATOM 1384 CA ILE A 95 96.896 -7.416 -3.439 1.00 0.00 C ATOM 1385 C ILE A 95 96.449 -7.307 -1.979 1.00 0.00 C ATOM 1386 O ILE A 95 95.976 -6.277 -1.539 1.00 0.00 O ATOM 1387 CB ILE A 95 95.962 -8.342 -4.219 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.423 -8.419 -5.678 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.535 -7.793 -4.166 1.00 0.00 C ATOM 1390 CD1 ILE A 95 96.367 -7.025 -6.308 1.00 0.00 C ATOM 0 H ILE A 95 98.259 -8.961 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 95 96.899 -6.406 -3.849 1.00 0.00 H new ATOM 0 HB ILE A 95 95.985 -9.337 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 95 97.439 -8.812 -5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 95 95.787 -9.107 -6.235 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.870 -8.454 -4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 95 94.205 -7.736 -3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.511 -6.798 -4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.695 -7.081 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.344 -6.650 -6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 95 97.022 -6.350 -5.757 1.00 0.00 H new ATOM 1402 N CYS A 96 96.597 -8.361 -1.223 1.00 0.00 N ATOM 1403 CA CYS A 96 96.185 -8.316 0.209 1.00 0.00 C ATOM 1404 C CYS A 96 97.003 -7.262 0.959 1.00 0.00 C ATOM 1405 O CYS A 96 96.527 -6.636 1.887 1.00 0.00 O ATOM 1406 CB CYS A 96 96.483 -9.715 0.753 1.00 0.00 C ATOM 1407 SG CYS A 96 95.077 -10.291 1.739 1.00 0.00 S ATOM 0 H CYS A 96 96.985 -9.251 -1.535 1.00 0.00 H new ATOM 0 HA CYS A 96 95.135 -8.049 0.329 1.00 0.00 H new ATOM 0 HB2 CYS A 96 96.671 -10.405 -0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.385 -9.695 1.364 1.00 0.00 H new ATOM 1412 N ASN A 97 98.230 -7.058 0.564 1.00 0.00 N ATOM 1413 CA ASN A 97 99.074 -6.042 1.254 1.00 0.00 C ATOM 1414 C ASN A 97 98.566 -4.634 0.933 1.00 0.00 C ATOM 1415 O ASN A 97 98.708 -3.719 1.720 1.00 0.00 O ATOM 1416 CB ASN A 97 100.482 -6.245 0.692 1.00 0.00 C ATOM 1417 CG ASN A 97 101.190 -7.347 1.469 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.619 -7.951 2.355 1.00 0.00 O ATOM 1419 ND2 ASN A 97 102.424 -7.638 1.171 1.00 0.00 N ATOM 0 H ASN A 97 98.684 -7.550 -0.206 1.00 0.00 H new ATOM 0 HA ASN A 97 99.051 -6.152 2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.428 -6.508 -0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 97 101.049 -5.317 0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.912 -8.374 1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.902 -7.130 0.427 1.00 0.00 H new ATOM 1426 N CYS A 98 97.971 -4.455 -0.215 1.00 0.00 N ATOM 1427 CA CYS A 98 97.449 -3.108 -0.582 1.00 0.00 C ATOM 1428 C CYS A 98 96.231 -2.770 0.281 1.00 0.00 C ATOM 1429 O CYS A 98 96.166 -1.729 0.903 1.00 0.00 O ATOM 1430 CB CYS A 98 97.048 -3.218 -2.054 1.00 0.00 C ATOM 1431 SG CYS A 98 98.518 -3.518 -3.068 1.00 0.00 S ATOM 0 H CYS A 98 97.824 -5.183 -0.914 1.00 0.00 H new ATOM 0 HA CYS A 98 98.187 -2.321 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 98 96.332 -4.029 -2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.554 -2.301 -2.376 1.00 0.00 H new ATOM 1436 N ASP A 99 95.265 -3.648 0.326 1.00 0.00 N ATOM 1437 CA ASP A 99 94.052 -3.382 1.152 1.00 0.00 C ATOM 1438 C ASP A 99 94.420 -3.397 2.638 1.00 0.00 C ATOM 1439 O ASP A 99 93.893 -2.638 3.427 1.00 0.00 O ATOM 1440 CB ASP A 99 93.091 -4.524 0.824 1.00 0.00 C ATOM 1441 CG ASP A 99 92.509 -4.312 -0.576 1.00 0.00 C ATOM 1442 OD1 ASP A 99 93.205 -4.600 -1.535 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.378 -3.863 -0.664 1.00 0.00 O ATOM 0 H ASP A 99 95.263 -4.537 -0.173 1.00 0.00 H new ATOM 0 HA ASP A 99 93.610 -2.408 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.614 -5.479 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 99 92.289 -4.562 1.561 1.00 0.00 H new ATOM 1448 N ARG A 100 95.331 -4.249 3.022 1.00 0.00 N ATOM 1449 CA ARG A 100 95.745 -4.306 4.452 1.00 0.00 C ATOM 1450 C ARG A 100 96.392 -2.982 4.847 1.00 0.00 C ATOM 1451 O ARG A 100 96.013 -2.350 5.813 1.00 0.00 O ATOM 1452 CB ARG A 100 96.771 -5.438 4.522 1.00 0.00 C ATOM 1453 CG ARG A 100 97.307 -5.556 5.951 1.00 0.00 C ATOM 1454 CD ARG A 100 96.521 -6.632 6.706 1.00 0.00 C ATOM 1455 NE ARG A 100 96.788 -7.902 5.978 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.010 -8.239 5.663 1.00 0.00 C ATOM 1457 NH1 ARG A 100 98.871 -8.521 6.601 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.372 -8.293 4.410 1.00 0.00 N ATOM 0 H ARG A 100 95.807 -4.909 2.406 1.00 0.00 H new ATOM 0 HA ARG A 100 94.905 -4.477 5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 100 96.312 -6.378 4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.590 -5.243 3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 100 98.367 -5.810 5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 100 97.218 -4.598 6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 100 96.845 -6.699 7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 100 95.455 -6.403 6.719 1.00 0.00 H new ATOM 0 HE ARG A 100 96.012 -8.513 5.723 1.00 0.00 H new ATOM 0 HH11 ARG A 100 98.590 -8.478 7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 100 99.825 -8.784 6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 100 97.700 -8.072 3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.327 -8.556 4.166 1.00 0.00 H new ATOM 1472 N ASN A 101 97.367 -2.560 4.095 1.00 0.00 N ATOM 1473 CA ASN A 101 98.054 -1.275 4.403 1.00 0.00 C ATOM 1474 C ASN A 101 97.057 -0.113 4.346 1.00 0.00 C ATOM 1475 O ASN A 101 97.188 0.865 5.054 1.00 0.00 O ATOM 1476 CB ASN A 101 99.110 -1.134 3.309 1.00 0.00 C ATOM 1477 CG ASN A 101 100.348 -1.936 3.687 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.385 -2.576 4.720 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.372 -1.931 2.885 1.00 0.00 N ATOM 0 H ASN A 101 97.721 -3.052 3.275 1.00 0.00 H new ATOM 0 HA ASN A 101 98.491 -1.262 5.401 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.712 -1.487 2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.371 -0.084 3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 101 102.208 -2.465 3.122 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.339 -1.393 2.019 1.00 0.00 H new ATOM 1486 N ALA A 102 96.060 -0.213 3.508 1.00 0.00 N ATOM 1487 CA ALA A 102 95.057 0.887 3.407 1.00 0.00 C ATOM 1488 C ALA A 102 94.122 0.866 4.621 1.00 0.00 C ATOM 1489 O ALA A 102 93.920 1.870 5.277 1.00 0.00 O ATOM 1490 CB ALA A 102 94.277 0.597 2.124 1.00 0.00 C ATOM 0 H ALA A 102 95.897 -1.008 2.890 1.00 0.00 H new ATOM 0 HA ALA A 102 95.526 1.871 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.517 1.365 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.960 0.597 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.797 -0.378 2.203 1.00 0.00 H new ATOM 1496 N ALA A 103 93.551 -0.267 4.927 1.00 0.00 N ATOM 1497 CA ALA A 103 92.632 -0.346 6.099 1.00 0.00 C ATOM 1498 C ALA A 103 93.395 -0.013 7.383 1.00 0.00 C ATOM 1499 O ALA A 103 92.909 0.696 8.243 1.00 0.00 O ATOM 1500 CB ALA A 103 92.143 -1.795 6.123 1.00 0.00 C ATOM 0 H ALA A 103 93.681 -1.141 4.417 1.00 0.00 H new ATOM 0 HA ALA A 103 91.804 0.359 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.459 -1.934 6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.625 -2.020 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.996 -2.465 6.235 1.00 0.00 H new ATOM 1506 N ILE A 104 94.593 -0.512 7.515 1.00 0.00 N ATOM 1507 CA ILE A 104 95.389 -0.216 8.741 1.00 0.00 C ATOM 1508 C ILE A 104 95.594 1.294 8.870 1.00 0.00 C ATOM 1509 O ILE A 104 95.632 1.835 9.957 1.00 0.00 O ATOM 1510 CB ILE A 104 96.728 -0.921 8.528 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.553 -2.424 8.758 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.757 -0.373 9.517 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.856 -3.150 8.416 1.00 0.00 C ATOM 0 H ILE A 104 95.055 -1.110 6.830 1.00 0.00 H new ATOM 0 HA ILE A 104 94.895 -0.556 9.651 1.00 0.00 H new ATOM 0 HB ILE A 104 97.073 -0.745 7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.280 -2.614 9.796 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.740 -2.805 8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.712 -0.876 9.365 1.00 0.00 H new ATOM 0 HG22 ILE A 104 97.881 0.698 9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.412 -0.550 10.536 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.730 -4.220 8.580 1.00 0.00 H new ATOM 0 HD12 ILE A 104 98.109 -2.970 7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.658 -2.777 9.053 1.00 0.00 H new ATOM 1525 N CYS A 105 95.720 1.978 7.767 1.00 0.00 N ATOM 1526 CA CYS A 105 95.917 3.453 7.825 1.00 0.00 C ATOM 1527 C CYS A 105 94.713 4.099 8.508 1.00 0.00 C ATOM 1528 O CYS A 105 94.852 4.948 9.366 1.00 0.00 O ATOM 1529 CB CYS A 105 96.010 3.896 6.366 1.00 0.00 C ATOM 1530 SG CYS A 105 96.832 5.507 6.274 1.00 0.00 S ATOM 0 H CYS A 105 95.695 1.579 6.828 1.00 0.00 H new ATOM 0 HA CYS A 105 96.804 3.739 8.390 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.565 3.159 5.786 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.013 3.959 5.930 1.00 0.00 H new ATOM 1535 N PHE A 106 93.529 3.692 8.140 1.00 0.00 N ATOM 1536 CA PHE A 106 92.315 4.265 8.771 1.00 0.00 C ATOM 1537 C PHE A 106 92.436 4.152 10.289 1.00 0.00 C ATOM 1538 O PHE A 106 92.071 5.045 11.027 1.00 0.00 O ATOM 1539 CB PHE A 106 91.158 3.400 8.265 1.00 0.00 C ATOM 1540 CG PHE A 106 91.102 3.446 6.755 1.00 0.00 C ATOM 1541 CD1 PHE A 106 91.661 4.526 6.060 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.488 2.403 6.049 1.00 0.00 C ATOM 1543 CE1 PHE A 106 91.606 4.562 4.661 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.432 2.441 4.651 1.00 0.00 C ATOM 1545 CZ PHE A 106 90.992 3.521 3.957 1.00 0.00 C ATOM 0 H PHE A 106 93.354 2.985 7.427 1.00 0.00 H new ATOM 0 HA PHE A 106 92.170 5.317 8.527 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.288 2.371 8.601 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.217 3.756 8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.134 5.331 6.603 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.058 1.569 6.584 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.038 5.394 4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 106 89.957 1.638 4.107 1.00 0.00 H new ATOM 0 HZ PHE A 106 90.950 3.550 2.878 1.00 0.00 H new ATOM 1555 N SER A 107 92.950 3.049 10.752 1.00 0.00 N ATOM 1556 CA SER A 107 93.106 2.853 12.221 1.00 0.00 C ATOM 1557 C SER A 107 94.447 3.426 12.695 1.00 0.00 C ATOM 1558 O SER A 107 94.760 3.403 13.868 1.00 0.00 O ATOM 1559 CB SER A 107 93.070 1.339 12.423 1.00 0.00 C ATOM 1560 OG SER A 107 94.330 0.788 12.063 1.00 0.00 O ATOM 0 H SER A 107 93.270 2.271 10.175 1.00 0.00 H new ATOM 0 HA SER A 107 92.327 3.360 12.790 1.00 0.00 H new ATOM 0 HB2 SER A 107 92.841 1.104 13.463 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.280 0.898 11.815 1.00 0.00 H new ATOM 0 HG SER A 107 94.617 1.162 11.204 1.00 0.00 H new ATOM 1566 N LYS A 108 95.240 3.940 11.794 1.00 0.00 N ATOM 1567 CA LYS A 108 96.557 4.511 12.202 1.00 0.00 C ATOM 1568 C LYS A 108 96.541 6.037 12.075 1.00 0.00 C ATOM 1569 O LYS A 108 97.318 6.729 12.702 1.00 0.00 O ATOM 1570 CB LYS A 108 97.573 3.906 11.233 1.00 0.00 C ATOM 1571 CG LYS A 108 98.119 2.601 11.814 1.00 0.00 C ATOM 1572 CD LYS A 108 99.543 2.828 12.325 1.00 0.00 C ATOM 1573 CE LYS A 108 100.546 2.330 11.281 1.00 0.00 C ATOM 1574 NZ LYS A 108 101.843 2.958 11.661 1.00 0.00 N ATOM 0 H LYS A 108 95.034 3.990 10.796 1.00 0.00 H new ATOM 0 HA LYS A 108 96.797 4.282 13.240 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.103 3.718 10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.388 4.608 11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.480 2.257 12.627 1.00 0.00 H new ATOM 0 HG3 LYS A 108 98.114 1.821 11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 108 99.705 3.887 12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.691 2.301 13.267 1.00 0.00 H new ATOM 0 HE2 LYS A 108 100.617 1.242 11.289 1.00 0.00 H new ATOM 0 HE3 LYS A 108 100.246 2.622 10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 102.581 2.663 10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 101.747 3.993 11.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 102.107 2.656 12.621 1.00 0.00 H new ATOM 1588 N VAL A 109 95.664 6.568 11.267 1.00 0.00 N ATOM 1589 CA VAL A 109 95.604 8.050 11.103 1.00 0.00 C ATOM 1590 C VAL A 109 94.298 8.596 11.687 1.00 0.00 C ATOM 1591 O VAL A 109 93.344 7.867 11.864 1.00 0.00 O ATOM 1592 CB VAL A 109 95.655 8.282 9.593 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.908 7.624 9.016 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.413 7.669 8.941 1.00 0.00 C ATOM 0 H VAL A 109 94.987 6.042 10.714 1.00 0.00 H new ATOM 0 HA VAL A 109 96.418 8.556 11.622 1.00 0.00 H new ATOM 0 HB VAL A 109 95.682 9.353 9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.943 7.790 7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.794 8.059 9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.882 6.553 9.217 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.448 7.834 7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.387 6.598 9.143 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.518 8.138 9.351 1.00 0.00 H new ATOM 1604 N PRO A 110 94.307 9.871 11.968 1.00 0.00 N ATOM 1605 CA PRO A 110 93.110 10.533 12.540 1.00 0.00 C ATOM 1606 C PRO A 110 92.030 10.702 11.469 1.00 0.00 C ATOM 1607 O PRO A 110 92.294 10.599 10.287 1.00 0.00 O ATOM 1608 CB PRO A 110 93.638 11.890 12.999 1.00 0.00 C ATOM 1609 CG PRO A 110 94.841 12.147 12.148 1.00 0.00 C ATOM 1610 CD PRO A 110 95.421 10.805 11.779 1.00 0.00 C ATOM 0 HA PRO A 110 92.650 9.964 13.348 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.888 12.670 12.868 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.899 11.874 14.057 1.00 0.00 H new ATOM 0 HG2 PRO A 110 94.567 12.707 11.254 1.00 0.00 H new ATOM 0 HG3 PRO A 110 95.573 12.747 12.688 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.780 10.795 10.750 1.00 0.00 H new ATOM 0 HD3 PRO A 110 96.269 10.549 12.414 1.00 0.00 H new ATOM 1618 N TYR A 111 90.818 10.959 11.872 1.00 0.00 N ATOM 1619 CA TYR A 111 89.719 11.134 10.880 1.00 0.00 C ATOM 1620 C TYR A 111 89.031 12.486 11.094 1.00 0.00 C ATOM 1621 O TYR A 111 88.440 12.733 12.127 1.00 0.00 O ATOM 1622 CB TYR A 111 88.750 9.983 11.159 1.00 0.00 C ATOM 1623 CG TYR A 111 87.416 10.275 10.515 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.347 10.564 9.148 1.00 0.00 C ATOM 1625 CD2 TYR A 111 86.248 10.258 11.287 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.111 10.836 8.551 1.00 0.00 C ATOM 1627 CE2 TYR A 111 85.011 10.530 10.691 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.943 10.819 9.323 1.00 0.00 C ATOM 1629 OH TYR A 111 83.723 11.088 8.736 1.00 0.00 O ATOM 0 H TYR A 111 90.539 11.056 12.848 1.00 0.00 H new ATOM 0 HA TYR A 111 90.079 11.121 9.851 1.00 0.00 H new ATOM 0 HB2 TYR A 111 89.157 9.050 10.769 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.625 9.852 12.234 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.248 10.577 8.553 1.00 0.00 H new ATOM 0 HD2 TYR A 111 86.301 10.035 12.342 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.058 11.059 7.496 1.00 0.00 H new ATOM 0 HE2 TYR A 111 84.110 10.517 11.286 1.00 0.00 H new ATOM 0 HH TYR A 111 83.016 11.034 9.412 1.00 0.00 H new ATOM 1639 N ASN A 112 89.100 13.362 10.129 1.00 0.00 N ATOM 1640 CA ASN A 112 88.447 14.695 10.286 1.00 0.00 C ATOM 1641 C ASN A 112 87.197 14.780 9.406 1.00 0.00 C ATOM 1642 O ASN A 112 87.232 15.302 8.309 1.00 0.00 O ATOM 1643 CB ASN A 112 89.496 15.708 9.824 1.00 0.00 C ATOM 1644 CG ASN A 112 90.414 16.062 10.995 1.00 0.00 C ATOM 1645 OD1 ASN A 112 90.095 16.919 11.795 1.00 0.00 O ATOM 1646 ND2 ASN A 112 91.551 15.434 11.130 1.00 0.00 N ATOM 0 H ASN A 112 89.579 13.214 9.241 1.00 0.00 H new ATOM 0 HA ASN A 112 88.127 14.878 11.312 1.00 0.00 H new ATOM 0 HB2 ASN A 112 90.080 15.293 9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 112 89.008 16.606 9.446 1.00 0.00 H new ATOM 0 HD21 ASN A 112 92.171 15.663 11.907 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.819 14.714 10.459 1.00 0.00 H new ATOM 1653 N LYS A 113 86.093 14.271 9.879 1.00 0.00 N ATOM 1654 CA LYS A 113 84.838 14.321 9.071 1.00 0.00 C ATOM 1655 C LYS A 113 84.681 15.695 8.414 1.00 0.00 C ATOM 1656 O LYS A 113 84.043 15.832 7.389 1.00 0.00 O ATOM 1657 CB LYS A 113 83.712 14.078 10.075 1.00 0.00 C ATOM 1658 CG LYS A 113 83.815 15.096 11.212 1.00 0.00 C ATOM 1659 CD LYS A 113 82.584 14.985 12.112 1.00 0.00 C ATOM 1660 CE LYS A 113 81.317 15.107 11.263 1.00 0.00 C ATOM 1661 NZ LYS A 113 80.300 15.702 12.175 1.00 0.00 N ATOM 0 H LYS A 113 86.004 13.822 10.790 1.00 0.00 H new ATOM 0 HA LYS A 113 84.837 13.584 8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 113 82.744 14.165 9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.777 13.065 10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 113 84.720 14.918 11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 113 83.891 16.104 10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 113 82.591 14.031 12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 113 82.603 15.768 12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 113 81.485 15.740 10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 113 80.994 14.134 10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 79.401 15.817 11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 80.156 15.074 12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 80.632 16.630 12.506 1.00 0.00 H new ATOM 1675 N GLU A 114 85.255 16.714 8.991 1.00 0.00 N ATOM 1676 CA GLU A 114 85.132 18.068 8.392 1.00 0.00 C ATOM 1677 C GLU A 114 85.634 18.038 6.952 1.00 0.00 C ATOM 1678 O GLU A 114 85.302 18.884 6.144 1.00 0.00 O ATOM 1679 CB GLU A 114 86.013 18.973 9.253 1.00 0.00 C ATOM 1680 CG GLU A 114 85.698 20.438 8.944 1.00 0.00 C ATOM 1681 CD GLU A 114 84.676 20.964 9.955 1.00 0.00 C ATOM 1682 OE1 GLU A 114 84.387 20.249 10.900 1.00 0.00 O ATOM 1683 OE2 GLU A 114 84.201 22.071 9.766 1.00 0.00 O ATOM 0 H GLU A 114 85.803 16.666 9.850 1.00 0.00 H new ATOM 0 HA GLU A 114 84.101 18.422 8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.840 18.768 10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 114 87.065 18.767 9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 114 86.609 21.034 8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 114 85.305 20.531 7.932 1.00 0.00 H new ATOM 1690 N HIS A 115 86.429 17.062 6.628 1.00 0.00 N ATOM 1691 CA HIS A 115 86.955 16.956 5.244 1.00 0.00 C ATOM 1692 C HIS A 115 86.069 16.012 4.426 1.00 0.00 C ATOM 1693 O HIS A 115 86.347 15.720 3.280 1.00 0.00 O ATOM 1694 CB HIS A 115 88.360 16.378 5.409 1.00 0.00 C ATOM 1695 CG HIS A 115 89.344 17.503 5.571 1.00 0.00 C ATOM 1696 ND1 HIS A 115 90.425 17.421 6.434 1.00 0.00 N ATOM 1697 CD2 HIS A 115 89.423 18.744 4.989 1.00 0.00 C ATOM 1698 CE1 HIS A 115 91.102 18.582 6.349 1.00 0.00 C ATOM 1699 NE2 HIS A 115 90.533 19.424 5.482 1.00 0.00 N ATOM 0 H HIS A 115 86.739 16.329 7.266 1.00 0.00 H new ATOM 0 HA HIS A 115 86.969 17.912 4.720 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.396 15.721 6.278 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.621 15.773 4.541 1.00 0.00 H new ATOM 0 HD2 HIS A 115 88.729 19.134 4.259 1.00 0.00 H new ATOM 0 HE1 HIS A 115 91.996 18.805 6.913 1.00 0.00 H new ATOM 0 HE2 HIS A 115 90.845 20.363 5.235 1.00 0.00 H new ATOM 1707 N LYS A 116 85.002 15.535 5.009 1.00 0.00 N ATOM 1708 CA LYS A 116 84.096 14.615 4.277 1.00 0.00 C ATOM 1709 C LYS A 116 83.342 15.378 3.185 1.00 0.00 C ATOM 1710 O LYS A 116 82.960 16.518 3.363 1.00 0.00 O ATOM 1711 CB LYS A 116 83.136 14.110 5.348 1.00 0.00 C ATOM 1712 CG LYS A 116 82.674 12.704 4.990 1.00 0.00 C ATOM 1713 CD LYS A 116 81.258 12.479 5.523 1.00 0.00 C ATOM 1714 CE LYS A 116 81.321 12.146 7.014 1.00 0.00 C ATOM 1715 NZ LYS A 116 80.581 10.861 7.151 1.00 0.00 N ATOM 0 H LYS A 116 84.721 15.747 5.966 1.00 0.00 H new ATOM 0 HA LYS A 116 84.625 13.802 3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.628 14.107 6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.278 14.778 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.692 12.568 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 116 83.355 11.967 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 116 80.652 13.371 5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.778 11.666 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 116 82.352 12.046 7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 116 80.862 12.932 7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 80.580 10.566 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 79.601 10.988 6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 81.044 10.130 6.574 1.00 0.00 H new ATOM 1729 N ASN A 117 83.128 14.762 2.055 1.00 0.00 N ATOM 1730 CA ASN A 117 82.403 15.462 0.958 1.00 0.00 C ATOM 1731 C ASN A 117 82.994 16.859 0.760 1.00 0.00 C ATOM 1732 O ASN A 117 82.298 17.854 0.795 1.00 0.00 O ATOM 1733 CB ASN A 117 80.952 15.551 1.432 1.00 0.00 C ATOM 1734 CG ASN A 117 80.435 14.147 1.746 1.00 0.00 C ATOM 1735 OD1 ASN A 117 80.148 13.377 0.850 1.00 0.00 O ATOM 1736 ND2 ASN A 117 80.301 13.776 2.991 1.00 0.00 N ATOM 0 H ASN A 117 83.422 13.808 1.845 1.00 0.00 H new ATOM 0 HA ASN A 117 82.482 14.940 0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.885 16.182 2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.334 16.015 0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.956 12.842 3.210 1.00 0.00 H new ATOM 0 HD22 ASN A 117 80.541 14.421 3.744 1.00 0.00 H new ATOM 1743 N LEU A 118 84.279 16.936 0.557 1.00 0.00 N ATOM 1744 CA LEU A 118 84.937 18.232 0.362 1.00 0.00 C ATOM 1745 C LEU A 118 84.614 18.764 -1.036 1.00 0.00 C ATOM 1746 O LEU A 118 84.028 18.084 -1.855 1.00 0.00 O ATOM 1747 CB LEU A 118 86.417 17.878 0.531 1.00 0.00 C ATOM 1748 CG LEU A 118 87.310 18.798 -0.284 1.00 0.00 C ATOM 1749 CD1 LEU A 118 87.452 20.151 0.419 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.693 18.159 -0.430 1.00 0.00 C ATOM 0 H LEU A 118 84.904 16.131 0.519 1.00 0.00 H new ATOM 0 HA LEU A 118 84.623 19.018 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.690 17.945 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.582 16.845 0.224 1.00 0.00 H new ATOM 0 HG LEU A 118 86.864 18.950 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 118 88.094 20.803 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 118 86.469 20.610 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.894 20.004 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.337 18.816 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.129 18.007 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.598 17.199 -0.937 1.00 0.00 H new ATOM 1762 N ASP A 119 84.995 19.971 -1.306 1.00 0.00 N ATOM 1763 CA ASP A 119 84.722 20.568 -2.645 1.00 0.00 C ATOM 1764 C ASP A 119 85.792 20.132 -3.648 1.00 0.00 C ATOM 1765 O ASP A 119 86.972 20.331 -3.438 1.00 0.00 O ATOM 1766 CB ASP A 119 84.779 22.079 -2.424 1.00 0.00 C ATOM 1767 CG ASP A 119 84.049 22.789 -3.565 1.00 0.00 C ATOM 1768 OD1 ASP A 119 83.021 22.285 -3.987 1.00 0.00 O ATOM 1769 OD2 ASP A 119 84.530 23.823 -3.998 1.00 0.00 O ATOM 0 H ASP A 119 85.489 20.581 -0.655 1.00 0.00 H new ATOM 0 HA ASP A 119 83.761 20.251 -3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 119 84.320 22.335 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.816 22.412 -2.379 1.00 0.00 H new ATOM 1774 N LYS A 120 85.387 19.542 -4.737 1.00 0.00 N ATOM 1775 CA LYS A 120 86.376 19.096 -5.755 1.00 0.00 C ATOM 1776 C LYS A 120 87.361 20.227 -6.062 1.00 0.00 C ATOM 1777 O LYS A 120 88.460 19.999 -6.525 1.00 0.00 O ATOM 1778 CB LYS A 120 85.542 18.755 -6.989 1.00 0.00 C ATOM 1779 CG LYS A 120 84.887 17.385 -6.798 1.00 0.00 C ATOM 1780 CD LYS A 120 84.539 16.791 -8.163 1.00 0.00 C ATOM 1781 CE LYS A 120 85.053 15.350 -8.239 1.00 0.00 C ATOM 1782 NZ LYS A 120 85.131 15.040 -9.696 1.00 0.00 N ATOM 0 H LYS A 120 84.412 19.349 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 120 86.968 18.245 -5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 120 84.778 19.516 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 120 86.173 18.748 -7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 120 85.562 16.719 -6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 120 83.986 17.482 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 120 83.460 16.812 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 120 84.985 17.390 -8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 120 86.029 15.254 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 120 84.379 14.664 -7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 85.476 14.068 -9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 84.187 15.132 -10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 85.785 15.704 -10.158 1.00 0.00 H new ATOM 1796 N LYS A 121 86.974 21.448 -5.805 1.00 0.00 N ATOM 1797 CA LYS A 121 87.888 22.595 -6.081 1.00 0.00 C ATOM 1798 C LYS A 121 89.048 22.599 -5.096 1.00 0.00 C ATOM 1799 O LYS A 121 90.037 23.282 -5.274 1.00 0.00 O ATOM 1800 CB LYS A 121 87.031 23.835 -5.887 1.00 0.00 C ATOM 1801 CG LYS A 121 86.699 24.430 -7.247 1.00 0.00 C ATOM 1802 CD LYS A 121 85.525 23.668 -7.866 1.00 0.00 C ATOM 1803 CE LYS A 121 86.042 22.744 -8.971 1.00 0.00 C ATOM 1804 NZ LYS A 121 84.988 22.775 -10.023 1.00 0.00 N ATOM 0 H LYS A 121 86.065 21.701 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 121 88.319 22.543 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 121 86.115 23.579 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.561 24.566 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.446 25.485 -7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 121 87.568 24.374 -7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 121 85.012 23.086 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 121 84.797 24.369 -8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 121 86.999 23.091 -9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 121 86.198 21.732 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 85.271 22.164 -10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 84.090 22.433 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 84.866 23.750 -10.364 1.00 0.00 H new ATOM 1818 N ASN A 122 88.941 21.813 -4.079 1.00 0.00 N ATOM 1819 CA ASN A 122 90.037 21.717 -3.083 1.00 0.00 C ATOM 1820 C ASN A 122 90.888 20.511 -3.438 1.00 0.00 C ATOM 1821 O ASN A 122 91.960 20.294 -2.908 1.00 0.00 O ATOM 1822 CB ASN A 122 89.339 21.495 -1.749 1.00 0.00 C ATOM 1823 CG ASN A 122 89.066 22.842 -1.078 1.00 0.00 C ATOM 1824 OD1 ASN A 122 88.072 23.576 -1.498 1.00 0.00 O flip ATOM 1825 ND2 ASN A 122 89.764 23.231 -0.162 1.00 0.00 N flip ATOM 0 H ASN A 122 88.132 21.222 -3.887 1.00 0.00 H new ATOM 0 HA ASN A 122 90.678 22.598 -3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.403 20.958 -1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 122 89.959 20.875 -1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 122 90.541 22.657 0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 122 89.573 24.131 0.278 1.00 0.00 H new ATOM 1832 N CYS A 123 90.386 19.722 -4.337 1.00 0.00 N ATOM 1833 CA CYS A 123 91.103 18.501 -4.769 1.00 0.00 C ATOM 1834 C CYS A 123 91.910 18.776 -6.042 1.00 0.00 C ATOM 1835 O CYS A 123 92.996 19.318 -5.925 1.00 0.00 O ATOM 1836 CB CYS A 123 89.979 17.507 -5.040 1.00 0.00 C ATOM 1837 SG CYS A 123 89.631 16.555 -3.541 1.00 0.00 S ATOM 1838 OXT CYS A 123 91.427 18.437 -7.110 1.00 0.00 O ATOM 0 H CYS A 123 89.490 19.876 -4.800 1.00 0.00 H new ATOM 0 HA CYS A 123 91.818 18.138 -4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.082 18.036 -5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 123 90.262 16.836 -5.851 1.00 0.00 H new TER 1843 CYS A 123