USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 873 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 34 GLN : amide:sc= 1.55 K(o=6.8,f=4.3) USER MOD Set 1.2: A 61 THR OG1 : rot -132:sc= 1.05 USER MOD Set 1.3: A 64 HIS : no HE2:sc= 2.64 K(o=6.8,f=-5.7!) USER MOD Set 1.4: A 104 TYR OH : rot -130:sc= 1.25 USER MOD Set 1.5: A 111 ASN : amide:sc= 0.355 K(o=6.8,f=4.4) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00203) USER MOD Single : A 28 HIS : no HD1:sc= 0.0308 K(o=0.031,f=-0.57) USER MOD Single : A 29 SER OG : rot 60:sc= 1.07 USER MOD Single : A 35 SER OG : rot -35:sc= 1.13 USER MOD Single : A 41 MET CE :methyl -169:sc= -0.109 (180deg=-0.288) USER MOD Single : A 44 ASN : amide:sc= -0.0385 K(o=-0.039,f=-3.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -168:sc= -0.515 (180deg=-1.01) USER MOD Single : A 75 GLN : amide:sc= 0.862 K(o=0.86,f=-0.0035) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 54:sc= 0.0455 USER MOD Single : A 85 THR OG1 : rot 81:sc= 1.17 USER MOD Single : A 89 SER OG : rot -59:sc= 1.24 USER MOD Single : A 93 GLN : amide:sc= 0.693 K(o=0.69,f=-0.54) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 98 SER OG : rot -39:sc= 0.193 USER MOD Single : A 109 SER OG : rot -170:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 73:sc= -0.215 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 119 SER OG : rot -100:sc= 1.31 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 2.191 28.312 -4.381 1.00 0.00 N ATOM 2 CA MET A 23 2.394 27.327 -3.305 1.00 0.00 C ATOM 3 C MET A 23 3.514 26.377 -3.706 1.00 0.00 C ATOM 4 O MET A 23 3.589 25.977 -4.867 1.00 0.00 O ATOM 5 CB MET A 23 1.128 26.503 -3.033 1.00 0.00 C ATOM 6 CG MET A 23 0.025 27.305 -2.344 1.00 0.00 C ATOM 7 SD MET A 23 -1.456 26.318 -2.038 1.00 0.00 S ATOM 8 CE MET A 23 -2.566 27.602 -1.402 1.00 0.00 C ATOM 0 HA MET A 23 2.646 27.874 -2.397 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.748 26.111 -3.976 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.387 25.645 -2.412 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.400 27.695 -1.398 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.236 28.164 -2.962 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.533 27.160 -1.161 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.135 28.043 -0.503 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.699 28.376 -2.158 1.00 0.00 H new ATOM 20 N LYS A 24 4.344 25.940 -2.755 1.00 0.00 N ATOM 21 CA LYS A 24 4.937 24.611 -2.852 1.00 0.00 C ATOM 22 C LYS A 24 3.858 23.657 -2.361 1.00 0.00 C ATOM 23 O LYS A 24 3.451 23.760 -1.203 1.00 0.00 O ATOM 24 CB LYS A 24 6.235 24.516 -2.027 1.00 0.00 C ATOM 25 CG LYS A 24 6.915 23.143 -2.187 1.00 0.00 C ATOM 26 CD LYS A 24 6.586 22.131 -1.077 1.00 0.00 C ATOM 27 CE LYS A 24 7.344 22.428 0.220 1.00 0.00 C ATOM 28 NZ LYS A 24 8.762 22.022 0.151 1.00 0.00 N ATOM 0 H LYS A 24 4.614 26.475 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 24 5.238 24.366 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.923 25.301 -2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.010 24.690 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.622 22.717 -3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.995 23.289 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.514 22.145 -0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.834 21.126 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.285 23.495 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.860 21.908 1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.227 22.228 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.822 21.002 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.237 22.549 -0.609 1.00 0.00 H new ATOM 42 N VAL A 25 3.331 22.803 -3.223 1.00 0.00 N ATOM 43 CA VAL A 25 2.448 21.725 -2.799 1.00 0.00 C ATOM 44 C VAL A 25 3.338 20.658 -2.144 1.00 0.00 C ATOM 45 O VAL A 25 4.436 20.413 -2.659 1.00 0.00 O ATOM 46 CB VAL A 25 1.699 21.209 -4.039 1.00 0.00 C ATOM 47 CG1 VAL A 25 0.835 19.971 -3.783 1.00 0.00 C ATOM 48 CG2 VAL A 25 0.776 22.317 -4.569 1.00 0.00 C ATOM 0 H VAL A 25 3.500 22.835 -4.228 1.00 0.00 H new ATOM 0 HA VAL A 25 1.695 22.038 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 25 2.471 20.926 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.342 19.673 -4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.465 19.155 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.082 20.202 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.242 21.956 -5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.058 22.593 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.372 23.189 -4.838 1.00 0.00 H new ATOM 58 N PRO A 26 2.910 20.011 -1.044 1.00 0.00 N ATOM 59 CA PRO A 26 3.684 18.950 -0.410 1.00 0.00 C ATOM 60 C PRO A 26 3.907 17.815 -1.419 1.00 0.00 C ATOM 61 O PRO A 26 2.933 17.359 -2.027 1.00 0.00 O ATOM 62 CB PRO A 26 2.863 18.498 0.804 1.00 0.00 C ATOM 63 CG PRO A 26 1.434 18.898 0.442 1.00 0.00 C ATOM 64 CD PRO A 26 1.640 20.184 -0.355 1.00 0.00 C ATOM 0 HA PRO A 26 4.672 19.279 -0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.949 17.424 0.968 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.197 18.988 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.936 18.130 -0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.823 19.064 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.827 20.342 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.664 21.054 0.302 1.00 0.00 H new ATOM 72 N PRO A 27 5.152 17.377 -1.663 1.00 0.00 N ATOM 73 CA PRO A 27 5.415 16.305 -2.606 1.00 0.00 C ATOM 74 C PRO A 27 4.946 14.981 -2.001 1.00 0.00 C ATOM 75 O PRO A 27 5.364 14.607 -0.905 1.00 0.00 O ATOM 76 CB PRO A 27 6.925 16.338 -2.846 1.00 0.00 C ATOM 77 CG PRO A 27 7.476 16.859 -1.521 1.00 0.00 C ATOM 78 CD PRO A 27 6.396 17.843 -1.064 1.00 0.00 C ATOM 0 HA PRO A 27 4.884 16.417 -3.551 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.317 15.349 -3.084 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.187 16.993 -3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.621 16.055 -0.800 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.441 17.349 -1.650 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.322 17.864 0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.629 18.857 -1.388 1.00 0.00 H new ATOM 86 N HIS A 28 4.081 14.269 -2.716 1.00 0.00 N ATOM 87 CA HIS A 28 3.732 12.893 -2.395 1.00 0.00 C ATOM 88 C HIS A 28 4.800 11.968 -2.996 1.00 0.00 C ATOM 89 O HIS A 28 5.784 12.422 -3.601 1.00 0.00 O ATOM 90 CB HIS A 28 2.349 12.572 -2.976 1.00 0.00 C ATOM 91 CG HIS A 28 1.202 13.277 -2.309 1.00 0.00 C ATOM 92 ND1 HIS A 28 0.625 14.451 -2.726 1.00 0.00 N ATOM 93 CD2 HIS A 28 0.494 12.822 -1.230 1.00 0.00 C ATOM 94 CE1 HIS A 28 -0.394 14.722 -1.896 1.00 0.00 C ATOM 95 NE2 HIS A 28 -0.532 13.742 -0.986 1.00 0.00 N ATOM 0 H HIS A 28 3.601 14.634 -3.539 1.00 0.00 H new ATOM 0 HA HIS A 28 3.695 12.747 -1.315 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.348 12.829 -4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.184 11.497 -2.909 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.691 11.920 -0.670 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.016 15.603 -1.951 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -1.245 13.681 -0.259 1.00 0.00 H new ATOM 103 N SER A 29 4.577 10.662 -2.885 1.00 0.00 N ATOM 104 CA SER A 29 5.338 9.608 -3.538 1.00 0.00 C ATOM 105 C SER A 29 4.383 8.636 -4.251 1.00 0.00 C ATOM 106 O SER A 29 4.765 7.496 -4.470 1.00 0.00 O ATOM 107 CB SER A 29 6.269 8.929 -2.507 1.00 0.00 C ATOM 108 OG SER A 29 5.785 9.007 -1.176 1.00 0.00 O ATOM 0 H SER A 29 3.821 10.294 -2.307 1.00 0.00 H new ATOM 0 HA SER A 29 5.983 10.021 -4.314 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.397 7.881 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.254 9.394 -2.556 1.00 0.00 H new ATOM 0 HG SER A 29 4.914 8.561 -1.118 1.00 0.00 H new ATOM 114 N ILE A 30 3.154 9.062 -4.587 1.00 0.00 N ATOM 115 CA ILE A 30 2.030 8.283 -5.128 1.00 0.00 C ATOM 116 C ILE A 30 2.492 7.071 -5.917 1.00 0.00 C ATOM 117 O ILE A 30 2.082 5.949 -5.672 1.00 0.00 O ATOM 118 CB ILE A 30 1.145 9.182 -6.052 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.702 10.511 -5.427 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.091 8.455 -6.625 1.00 0.00 C ATOM 121 CD1 ILE A 30 -0.078 10.327 -4.132 1.00 0.00 C ATOM 0 H ILE A 30 2.901 10.044 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 30 1.452 7.931 -4.274 1.00 0.00 H new ATOM 0 HB ILE A 30 1.827 9.416 -6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.581 11.125 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.085 11.055 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.657 9.141 -7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.233 7.600 -7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.723 8.111 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.364 11.302 -3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.974 9.738 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.545 9.809 -3.403 1.00 0.00 H new ATOM 133 N GLU A 31 3.156 7.329 -7.020 1.00 0.00 N ATOM 134 CA GLU A 31 3.536 6.353 -8.012 1.00 0.00 C ATOM 135 C GLU A 31 4.576 5.347 -7.526 1.00 0.00 C ATOM 136 O GLU A 31 4.564 4.180 -7.919 1.00 0.00 O ATOM 137 CB GLU A 31 3.855 7.139 -9.261 1.00 0.00 C ATOM 138 CG GLU A 31 2.530 7.777 -9.747 1.00 0.00 C ATOM 139 CD GLU A 31 2.786 8.986 -10.643 1.00 0.00 C ATOM 140 OE1 GLU A 31 3.193 8.821 -11.816 1.00 0.00 O ATOM 141 OE2 GLU A 31 2.560 10.130 -10.192 1.00 0.00 O ATOM 0 H GLU A 31 3.460 8.272 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 31 2.726 5.661 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.599 7.908 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.274 6.489 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.947 7.035 -10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.934 8.081 -8.886 1.00 0.00 H new ATOM 148 N ALA A 32 5.492 5.806 -6.678 1.00 0.00 N ATOM 149 CA ALA A 32 6.411 4.951 -5.938 1.00 0.00 C ATOM 150 C ALA A 32 5.614 4.102 -4.942 1.00 0.00 C ATOM 151 O ALA A 32 5.749 2.886 -4.943 1.00 0.00 O ATOM 152 CB ALA A 32 7.490 5.788 -5.234 1.00 0.00 C ATOM 0 H ALA A 32 5.617 6.799 -6.483 1.00 0.00 H new ATOM 0 HA ALA A 32 6.928 4.286 -6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.164 5.128 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.056 6.351 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.017 6.480 -4.537 1.00 0.00 H new ATOM 158 N GLU A 33 4.747 4.725 -4.138 1.00 0.00 N ATOM 159 CA GLU A 33 3.826 4.090 -3.194 1.00 0.00 C ATOM 160 C GLU A 33 3.003 3.012 -3.907 1.00 0.00 C ATOM 161 O GLU A 33 2.828 1.912 -3.381 1.00 0.00 O ATOM 162 CB GLU A 33 2.883 5.154 -2.596 1.00 0.00 C ATOM 163 CG GLU A 33 3.525 6.215 -1.694 1.00 0.00 C ATOM 164 CD GLU A 33 2.695 7.502 -1.622 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.478 7.462 -1.908 1.00 0.00 O ATOM 166 OE2 GLU A 33 3.265 8.568 -1.290 1.00 0.00 O ATOM 0 H GLU A 33 4.666 5.742 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 33 4.401 3.625 -2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.382 5.665 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.112 4.641 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.647 5.808 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.522 6.449 -2.067 1.00 0.00 H new ATOM 173 N GLN A 34 2.532 3.308 -5.123 1.00 0.00 N ATOM 174 CA GLN A 34 1.792 2.377 -5.950 1.00 0.00 C ATOM 175 C GLN A 34 2.657 1.158 -6.239 1.00 0.00 C ATOM 176 O GLN A 34 2.217 0.034 -6.021 1.00 0.00 O ATOM 177 CB GLN A 34 1.330 3.007 -7.276 1.00 0.00 C ATOM 178 CG GLN A 34 0.231 4.074 -7.149 1.00 0.00 C ATOM 179 CD GLN A 34 -1.105 3.643 -7.749 1.00 0.00 C ATOM 180 OE1 GLN A 34 -1.178 3.197 -8.893 1.00 0.00 O ATOM 181 NE2 GLN A 34 -2.193 3.787 -7.017 1.00 0.00 N ATOM 0 H GLN A 34 2.662 4.221 -5.559 1.00 0.00 H new ATOM 0 HA GLN A 34 0.897 2.088 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.194 3.456 -7.766 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.969 2.213 -7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.087 4.313 -6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.564 4.988 -7.641 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.125 4.157 -6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.103 3.528 -7.399 1.00 0.00 H new ATOM 190 N SER A 35 3.880 1.370 -6.722 1.00 0.00 N ATOM 191 CA SER A 35 4.804 0.292 -7.022 1.00 0.00 C ATOM 192 C SER A 35 5.318 -0.451 -5.781 1.00 0.00 C ATOM 193 O SER A 35 5.770 -1.587 -5.910 1.00 0.00 O ATOM 194 CB SER A 35 5.947 0.847 -7.860 1.00 0.00 C ATOM 195 OG SER A 35 5.480 1.260 -9.137 1.00 0.00 O ATOM 0 H SER A 35 4.254 2.299 -6.915 1.00 0.00 H new ATOM 0 HA SER A 35 4.259 -0.465 -7.586 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.406 1.691 -7.345 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.720 0.087 -7.978 1.00 0.00 H new ATOM 0 HG SER A 35 4.763 0.661 -9.433 1.00 0.00 H new ATOM 201 N VAL A 36 5.248 0.136 -4.587 1.00 0.00 N ATOM 202 CA VAL A 36 5.490 -0.590 -3.345 1.00 0.00 C ATOM 203 C VAL A 36 4.350 -1.583 -3.153 1.00 0.00 C ATOM 204 O VAL A 36 4.598 -2.783 -3.066 1.00 0.00 O ATOM 205 CB VAL A 36 5.650 0.358 -2.136 1.00 0.00 C ATOM 206 CG1 VAL A 36 5.658 -0.413 -0.811 1.00 0.00 C ATOM 207 CG2 VAL A 36 6.962 1.141 -2.223 1.00 0.00 C ATOM 0 H VAL A 36 5.023 1.122 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 36 6.436 -1.127 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 36 4.798 1.037 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.772 0.287 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.719 -0.956 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.488 -1.119 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.050 1.801 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.801 0.445 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.971 1.735 -3.137 1.00 0.00 H new ATOM 217 N LEU A 37 3.107 -1.102 -3.082 1.00 0.00 N ATOM 218 CA LEU A 37 1.957 -1.956 -2.794 1.00 0.00 C ATOM 219 C LEU A 37 1.815 -3.014 -3.886 1.00 0.00 C ATOM 220 O LEU A 37 1.659 -4.196 -3.587 1.00 0.00 O ATOM 221 CB LEU A 37 0.681 -1.112 -2.671 1.00 0.00 C ATOM 222 CG LEU A 37 0.712 -0.098 -1.512 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.474 0.859 -1.640 1.00 0.00 C ATOM 224 CD2 LEU A 37 0.682 -0.774 -0.138 1.00 0.00 C ATOM 0 H LEU A 37 2.872 -0.119 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 37 2.114 -2.462 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.521 -0.575 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.171 -1.778 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 37 1.652 0.449 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.452 1.577 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.412 1.391 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.404 0.292 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.706 -0.013 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.230 -1.364 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.549 -1.427 -0.035 1.00 0.00 H new ATOM 236 N GLY A 38 1.930 -2.596 -5.144 1.00 0.00 N ATOM 237 CA GLY A 38 1.997 -3.466 -6.298 1.00 0.00 C ATOM 238 C GLY A 38 3.105 -4.497 -6.151 1.00 0.00 C ATOM 239 O GLY A 38 2.857 -5.681 -6.362 1.00 0.00 O ATOM 0 H GLY A 38 1.980 -1.607 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.041 -3.973 -6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.168 -2.871 -7.195 1.00 0.00 H new ATOM 243 N GLY A 39 4.310 -4.087 -5.747 1.00 0.00 N ATOM 244 CA GLY A 39 5.433 -4.991 -5.592 1.00 0.00 C ATOM 245 C GLY A 39 5.197 -6.019 -4.492 1.00 0.00 C ATOM 246 O GLY A 39 5.648 -7.149 -4.636 1.00 0.00 O ATOM 0 H GLY A 39 4.526 -3.116 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.615 -5.506 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.331 -4.417 -5.364 1.00 0.00 H new ATOM 250 N LEU A 40 4.480 -5.664 -3.425 1.00 0.00 N ATOM 251 CA LEU A 40 4.123 -6.592 -2.356 1.00 0.00 C ATOM 252 C LEU A 40 3.098 -7.609 -2.835 1.00 0.00 C ATOM 253 O LEU A 40 3.187 -8.786 -2.483 1.00 0.00 O ATOM 254 CB LEU A 40 3.553 -5.824 -1.155 1.00 0.00 C ATOM 255 CG LEU A 40 4.590 -4.987 -0.397 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.893 -4.212 0.723 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.682 -5.879 0.188 1.00 0.00 C ATOM 0 H LEU A 40 4.129 -4.717 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 40 5.028 -7.120 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.756 -5.167 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.101 -6.535 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 40 5.056 -4.289 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.627 -3.616 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.136 -3.555 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.418 -4.913 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.407 -5.264 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.236 -6.595 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.184 -6.415 -0.617 1.00 0.00 H new ATOM 269 N MET A 41 2.132 -7.176 -3.648 1.00 0.00 N ATOM 270 CA MET A 41 1.199 -8.087 -4.296 1.00 0.00 C ATOM 271 C MET A 41 1.982 -9.046 -5.201 1.00 0.00 C ATOM 272 O MET A 41 1.680 -10.241 -5.240 1.00 0.00 O ATOM 273 CB MET A 41 0.155 -7.305 -5.108 1.00 0.00 C ATOM 274 CG MET A 41 -0.702 -6.344 -4.277 1.00 0.00 C ATOM 275 SD MET A 41 -1.262 -4.919 -5.247 1.00 0.00 S ATOM 276 CE MET A 41 -2.472 -4.217 -4.117 1.00 0.00 C ATOM 0 H MET A 41 1.979 -6.193 -3.871 1.00 0.00 H new ATOM 0 HA MET A 41 0.667 -8.661 -3.537 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.667 -6.737 -5.884 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.501 -8.014 -5.612 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.568 -6.878 -3.884 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.127 -5.995 -3.419 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.051 -3.451 -4.633 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.141 -5.003 -3.767 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.959 -3.771 -3.265 1.00 0.00 H new ATOM 286 N LEU A 42 2.977 -8.519 -5.920 1.00 0.00 N ATOM 287 CA LEU A 42 3.834 -9.228 -6.866 1.00 0.00 C ATOM 288 C LEU A 42 4.672 -10.286 -6.160 1.00 0.00 C ATOM 289 O LEU A 42 4.729 -11.427 -6.618 1.00 0.00 O ATOM 290 CB LEU A 42 4.702 -8.206 -7.632 1.00 0.00 C ATOM 291 CG LEU A 42 5.014 -8.580 -9.092 1.00 0.00 C ATOM 292 CD1 LEU A 42 5.192 -7.295 -9.916 1.00 0.00 C ATOM 293 CD2 LEU A 42 6.277 -9.440 -9.207 1.00 0.00 C ATOM 0 H LEU A 42 3.217 -7.530 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 42 3.216 -9.760 -7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.195 -7.241 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.643 -8.078 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 42 4.179 -9.167 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.413 -7.554 -10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.274 -6.708 -9.877 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.015 -6.710 -9.505 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.459 -9.680 -10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.129 -8.890 -8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.142 -10.362 -8.641 1.00 0.00 H new ATOM 305 N ASP A 43 5.291 -9.920 -5.043 1.00 0.00 N ATOM 306 CA ASP A 43 6.163 -10.759 -4.230 1.00 0.00 C ATOM 307 C ASP A 43 5.974 -10.454 -2.746 1.00 0.00 C ATOM 308 O ASP A 43 6.470 -9.455 -2.220 1.00 0.00 O ATOM 309 CB ASP A 43 7.630 -10.590 -4.630 1.00 0.00 C ATOM 310 CG ASP A 43 8.558 -11.476 -3.790 1.00 0.00 C ATOM 311 OD1 ASP A 43 8.067 -12.345 -3.032 1.00 0.00 O ATOM 312 OD2 ASP A 43 9.789 -11.353 -3.979 1.00 0.00 O ATOM 0 H ASP A 43 5.192 -8.980 -4.660 1.00 0.00 H new ATOM 0 HA ASP A 43 5.885 -11.798 -4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.749 -10.837 -5.685 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.920 -9.546 -4.512 1.00 0.00 H new ATOM 317 N ASN A 44 5.250 -11.340 -2.063 1.00 0.00 N ATOM 318 CA ASN A 44 4.928 -11.215 -0.645 1.00 0.00 C ATOM 319 C ASN A 44 6.179 -11.252 0.241 1.00 0.00 C ATOM 320 O ASN A 44 6.138 -10.697 1.340 1.00 0.00 O ATOM 321 CB ASN A 44 3.957 -12.332 -0.213 1.00 0.00 C ATOM 322 CG ASN A 44 2.514 -12.193 -0.698 1.00 0.00 C ATOM 323 OD1 ASN A 44 1.628 -12.907 -0.232 1.00 0.00 O ATOM 324 ND2 ASN A 44 2.193 -11.296 -1.615 1.00 0.00 N ATOM 0 H ASN A 44 4.864 -12.182 -2.490 1.00 0.00 H new ATOM 0 HA ASN A 44 4.454 -10.242 -0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.349 -13.284 -0.570 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.950 -12.378 0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.225 -11.206 -1.923 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.913 -10.694 -2.014 1.00 0.00 H new ATOM 331 N GLU A 45 7.294 -11.854 -0.197 1.00 0.00 N ATOM 332 CA GLU A 45 8.529 -11.876 0.595 1.00 0.00 C ATOM 333 C GLU A 45 9.097 -10.479 0.757 1.00 0.00 C ATOM 334 O GLU A 45 9.739 -10.200 1.777 1.00 0.00 O ATOM 335 CB GLU A 45 9.615 -12.746 -0.060 1.00 0.00 C ATOM 336 CG GLU A 45 9.263 -14.225 -0.242 1.00 0.00 C ATOM 337 CD GLU A 45 10.458 -14.965 -0.849 1.00 0.00 C ATOM 338 OE1 GLU A 45 10.643 -14.936 -2.086 1.00 0.00 O ATOM 339 OE2 GLU A 45 11.274 -15.538 -0.085 1.00 0.00 O ATOM 0 H GLU A 45 7.364 -12.332 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 45 8.259 -12.294 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.851 -12.325 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.521 -12.679 0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.998 -14.667 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.392 -14.325 -0.890 1.00 0.00 H new ATOM 346 N ARG A 46 8.815 -9.566 -0.176 1.00 0.00 N ATOM 347 CA ARG A 46 9.302 -8.207 -0.072 1.00 0.00 C ATOM 348 C ARG A 46 8.554 -7.425 0.991 1.00 0.00 C ATOM 349 O ARG A 46 8.894 -6.259 1.184 1.00 0.00 O ATOM 350 CB ARG A 46 9.267 -7.537 -1.445 1.00 0.00 C ATOM 351 CG ARG A 46 10.288 -8.188 -2.385 1.00 0.00 C ATOM 352 CD ARG A 46 11.712 -7.756 -2.005 1.00 0.00 C ATOM 353 NE ARG A 46 12.703 -8.322 -2.919 1.00 0.00 N ATOM 354 CZ ARG A 46 13.670 -7.673 -3.570 1.00 0.00 C ATOM 355 NH1 ARG A 46 13.899 -6.381 -3.367 1.00 0.00 N ATOM 356 NH2 ARG A 46 14.412 -8.359 -4.427 1.00 0.00 N ATOM 0 H ARG A 46 8.253 -9.752 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 46 10.341 -8.225 0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.267 -7.619 -1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.484 -6.474 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.203 -9.273 -2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.077 -7.903 -3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.780 -6.668 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.931 -8.075 -0.986 1.00 0.00 H new ATOM 0 HE ARG A 46 12.649 -9.328 -3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.329 -5.861 -2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.645 -5.909 -3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.236 -9.353 -4.573 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.160 -7.893 -4.941 1.00 0.00 H new ATOM 370 N TRP A 47 7.609 -8.040 1.718 1.00 0.00 N ATOM 371 CA TRP A 47 7.052 -7.414 2.902 1.00 0.00 C ATOM 372 C TRP A 47 8.207 -7.002 3.790 1.00 0.00 C ATOM 373 O TRP A 47 8.248 -5.851 4.190 1.00 0.00 O ATOM 374 CB TRP A 47 6.112 -8.328 3.684 1.00 0.00 C ATOM 375 CG TRP A 47 5.577 -7.647 4.909 1.00 0.00 C ATOM 376 CD1 TRP A 47 6.071 -7.772 6.161 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.580 -6.586 4.993 1.00 0.00 C ATOM 378 NE1 TRP A 47 5.362 -6.963 7.025 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.458 -6.172 6.351 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.817 -5.888 4.037 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.591 -5.142 6.745 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.968 -4.833 4.411 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.843 -4.468 5.763 1.00 0.00 C ATOM 0 H TRP A 47 7.225 -8.960 1.501 1.00 0.00 H new ATOM 0 HA TRP A 47 6.454 -6.560 2.584 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.284 -8.633 3.045 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.642 -9.236 3.973 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.896 -8.409 6.443 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.491 -6.952 8.037 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.886 -6.169 2.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.499 -4.871 7.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.409 -4.300 3.656 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.173 -3.670 6.047 1.00 0.00 H new ATOM 394 N ASP A 48 9.179 -7.889 4.024 1.00 0.00 N ATOM 395 CA ASP A 48 10.289 -7.558 4.928 1.00 0.00 C ATOM 396 C ASP A 48 11.104 -6.360 4.439 1.00 0.00 C ATOM 397 O ASP A 48 11.653 -5.605 5.235 1.00 0.00 O ATOM 398 CB ASP A 48 11.248 -8.754 5.042 1.00 0.00 C ATOM 399 CG ASP A 48 11.397 -9.298 6.461 1.00 0.00 C ATOM 400 OD1 ASP A 48 10.389 -9.386 7.202 1.00 0.00 O ATOM 401 OD2 ASP A 48 12.510 -9.752 6.819 1.00 0.00 O ATOM 0 H ASP A 48 9.223 -8.821 3.612 1.00 0.00 H new ATOM 0 HA ASP A 48 9.840 -7.312 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.893 -9.554 4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.229 -8.456 4.673 1.00 0.00 H new ATOM 406 N ASP A 49 11.186 -6.206 3.120 1.00 0.00 N ATOM 407 CA ASP A 49 12.027 -5.245 2.403 1.00 0.00 C ATOM 408 C ASP A 49 11.425 -3.863 2.360 1.00 0.00 C ATOM 409 O ASP A 49 12.114 -2.844 2.429 1.00 0.00 O ATOM 410 CB ASP A 49 12.203 -5.751 0.952 1.00 0.00 C ATOM 411 CG ASP A 49 13.532 -5.444 0.267 1.00 0.00 C ATOM 412 OD1 ASP A 49 14.621 -5.703 0.824 1.00 0.00 O ATOM 413 OD2 ASP A 49 13.487 -4.998 -0.903 1.00 0.00 O ATOM 0 H ASP A 49 10.635 -6.782 2.483 1.00 0.00 H new ATOM 0 HA ASP A 49 12.978 -5.171 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.063 -6.832 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.403 -5.326 0.346 1.00 0.00 H new ATOM 418 N VAL A 50 10.114 -3.832 2.242 1.00 0.00 N ATOM 419 CA VAL A 50 9.326 -2.639 2.340 1.00 0.00 C ATOM 420 C VAL A 50 9.244 -2.279 3.816 1.00 0.00 C ATOM 421 O VAL A 50 9.657 -1.188 4.201 1.00 0.00 O ATOM 422 CB VAL A 50 7.983 -2.964 1.679 1.00 0.00 C ATOM 423 CG1 VAL A 50 6.942 -1.878 1.950 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.178 -3.096 0.160 1.00 0.00 C ATOM 0 H VAL A 50 9.557 -4.669 2.070 1.00 0.00 H new ATOM 0 HA VAL A 50 9.737 -1.767 1.832 1.00 0.00 H new ATOM 0 HB VAL A 50 7.622 -3.901 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.003 -2.145 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.782 -1.787 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.297 -0.927 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.222 -3.327 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.562 -2.158 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.888 -3.897 -0.047 1.00 0.00 H new ATOM 434 N ALA A 51 8.759 -3.195 4.648 1.00 0.00 N ATOM 435 CA ALA A 51 8.499 -2.980 6.054 1.00 0.00 C ATOM 436 C ALA A 51 9.767 -2.695 6.854 1.00 0.00 C ATOM 437 O ALA A 51 9.639 -2.191 7.974 1.00 0.00 O ATOM 438 CB ALA A 51 7.734 -4.181 6.625 1.00 0.00 C ATOM 0 H ALA A 51 8.530 -4.141 4.343 1.00 0.00 H new ATOM 0 HA ALA A 51 7.884 -2.085 6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.539 -4.018 7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.788 -4.295 6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.331 -5.085 6.501 1.00 0.00 H new ATOM 444 N GLU A 52 10.975 -2.955 6.321 1.00 0.00 N ATOM 445 CA GLU A 52 12.172 -2.509 7.016 1.00 0.00 C ATOM 446 C GLU A 52 12.386 -1.003 6.857 1.00 0.00 C ATOM 447 O GLU A 52 12.986 -0.376 7.726 1.00 0.00 O ATOM 448 CB GLU A 52 13.427 -3.341 6.744 1.00 0.00 C ATOM 449 CG GLU A 52 13.978 -3.161 5.335 1.00 0.00 C ATOM 450 CD GLU A 52 15.322 -3.870 5.108 1.00 0.00 C ATOM 451 OE1 GLU A 52 15.944 -4.387 6.066 1.00 0.00 O ATOM 452 OE2 GLU A 52 15.818 -3.865 3.959 1.00 0.00 O ATOM 0 H GLU A 52 11.135 -3.453 5.445 1.00 0.00 H new ATOM 0 HA GLU A 52 11.981 -2.696 8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.198 -3.069 7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.198 -4.394 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.250 -3.540 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.099 -2.097 5.134 1.00 0.00 H new ATOM 459 N ARG A 53 11.863 -0.399 5.787 1.00 0.00 N ATOM 460 CA ARG A 53 11.938 1.037 5.541 1.00 0.00 C ATOM 461 C ARG A 53 10.701 1.753 6.037 1.00 0.00 C ATOM 462 O ARG A 53 10.839 2.849 6.584 1.00 0.00 O ATOM 463 CB ARG A 53 12.102 1.307 4.037 1.00 0.00 C ATOM 464 CG ARG A 53 13.574 1.368 3.617 1.00 0.00 C ATOM 465 CD ARG A 53 13.703 1.054 2.126 1.00 0.00 C ATOM 466 NE ARG A 53 13.737 -0.403 1.914 1.00 0.00 N ATOM 467 CZ ARG A 53 14.828 -1.129 1.654 1.00 0.00 C ATOM 468 NH1 ARG A 53 15.992 -0.559 1.380 1.00 0.00 N ATOM 469 NH2 ARG A 53 14.732 -2.443 1.661 1.00 0.00 N ATOM 0 H ARG A 53 11.367 -0.907 5.055 1.00 0.00 H new ATOM 0 HA ARG A 53 12.801 1.417 6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.597 0.524 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.614 2.248 3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.980 2.358 3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.157 0.655 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.865 1.489 1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.611 1.508 1.729 1.00 0.00 H new ATOM 0 HE ARG A 53 12.849 -0.902 1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.071 0.458 1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.810 -1.137 1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.836 -2.888 1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.553 -3.015 1.465 1.00 0.00 H new ATOM 483 N VAL A 54 9.520 1.176 5.836 1.00 0.00 N ATOM 484 CA VAL A 54 8.274 1.886 6.050 1.00 0.00 C ATOM 485 C VAL A 54 7.316 1.199 7.013 1.00 0.00 C ATOM 486 O VAL A 54 7.400 -0.003 7.269 1.00 0.00 O ATOM 487 CB VAL A 54 7.599 2.165 4.699 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.333 3.252 3.904 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.399 0.918 3.832 1.00 0.00 C ATOM 0 H VAL A 54 9.405 0.212 5.523 1.00 0.00 H new ATOM 0 HA VAL A 54 8.533 2.825 6.538 1.00 0.00 H new ATOM 0 HB VAL A 54 6.604 2.528 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.822 3.417 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.342 4.179 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.358 2.934 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.917 1.199 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.367 0.464 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.771 0.203 4.363 1.00 0.00 H new ATOM 499 N VAL A 55 6.353 1.982 7.479 1.00 0.00 N ATOM 500 CA VAL A 55 5.162 1.622 8.223 1.00 0.00 C ATOM 501 C VAL A 55 3.977 2.331 7.547 1.00 0.00 C ATOM 502 O VAL A 55 4.173 3.158 6.651 1.00 0.00 O ATOM 503 CB VAL A 55 5.336 2.008 9.707 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.358 1.103 10.399 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.726 3.477 9.924 1.00 0.00 C ATOM 0 H VAL A 55 6.395 2.990 7.327 1.00 0.00 H new ATOM 0 HA VAL A 55 4.979 0.548 8.213 1.00 0.00 H new ATOM 0 HB VAL A 55 4.352 1.868 10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.459 1.400 11.443 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.021 0.068 10.347 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.323 1.196 9.901 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.830 3.672 10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.673 3.680 9.424 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.952 4.124 9.511 1.00 0.00 H new ATOM 515 N ALA A 56 2.743 2.043 7.970 1.00 0.00 N ATOM 516 CA ALA A 56 1.558 2.683 7.408 1.00 0.00 C ATOM 517 C ALA A 56 1.640 4.207 7.510 1.00 0.00 C ATOM 518 O ALA A 56 1.233 4.905 6.587 1.00 0.00 O ATOM 519 CB ALA A 56 0.301 2.177 8.117 1.00 0.00 C ATOM 0 H ALA A 56 2.542 1.365 8.705 1.00 0.00 H new ATOM 0 HA ALA A 56 1.508 2.421 6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.577 2.661 7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.220 1.098 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.364 2.411 9.180 1.00 0.00 H new ATOM 525 N ASP A 57 2.187 4.730 8.607 1.00 0.00 N ATOM 526 CA ASP A 57 2.275 6.169 8.860 1.00 0.00 C ATOM 527 C ASP A 57 3.052 6.925 7.785 1.00 0.00 C ATOM 528 O ASP A 57 2.875 8.140 7.653 1.00 0.00 O ATOM 529 CB ASP A 57 2.912 6.440 10.229 1.00 0.00 C ATOM 530 CG ASP A 57 1.867 6.436 11.330 1.00 0.00 C ATOM 531 OD1 ASP A 57 1.512 5.333 11.806 1.00 0.00 O ATOM 532 OD2 ASP A 57 1.377 7.525 11.705 1.00 0.00 O ATOM 0 H ASP A 57 2.586 4.161 9.353 1.00 0.00 H new ATOM 0 HA ASP A 57 1.250 6.538 8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.667 5.683 10.438 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.422 7.403 10.212 1.00 0.00 H new ATOM 537 N ASP A 58 3.897 6.241 7.014 1.00 0.00 N ATOM 538 CA ASP A 58 4.704 6.857 5.979 1.00 0.00 C ATOM 539 C ASP A 58 3.869 7.170 4.736 1.00 0.00 C ATOM 540 O ASP A 58 4.217 8.078 3.982 1.00 0.00 O ATOM 541 CB ASP A 58 5.878 5.935 5.627 1.00 0.00 C ATOM 542 CG ASP A 58 6.870 5.787 6.780 1.00 0.00 C ATOM 543 OD1 ASP A 58 7.302 6.803 7.364 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.202 4.645 7.148 1.00 0.00 O ATOM 0 H ASP A 58 4.037 5.234 7.097 1.00 0.00 H new ATOM 0 HA ASP A 58 5.092 7.803 6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.495 4.952 5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.397 6.330 4.753 1.00 0.00 H new ATOM 549 N PHE A 59 2.757 6.461 4.516 1.00 0.00 N ATOM 550 CA PHE A 59 1.822 6.729 3.439 1.00 0.00 C ATOM 551 C PHE A 59 0.875 7.834 3.907 1.00 0.00 C ATOM 552 O PHE A 59 -0.017 7.596 4.727 1.00 0.00 O ATOM 553 CB PHE A 59 1.040 5.458 3.083 1.00 0.00 C ATOM 554 CG PHE A 59 1.859 4.305 2.529 1.00 0.00 C ATOM 555 CD1 PHE A 59 2.470 3.391 3.408 1.00 0.00 C ATOM 556 CD2 PHE A 59 1.965 4.106 1.139 1.00 0.00 C ATOM 557 CE1 PHE A 59 3.151 2.271 2.906 1.00 0.00 C ATOM 558 CE2 PHE A 59 2.625 2.970 0.634 1.00 0.00 C ATOM 559 CZ PHE A 59 3.202 2.042 1.520 1.00 0.00 C ATOM 0 H PHE A 59 2.484 5.670 5.099 1.00 0.00 H new ATOM 0 HA PHE A 59 2.354 7.048 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.521 5.112 3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.275 5.719 2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.415 3.552 4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.538 4.828 0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.636 1.585 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.688 2.811 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.683 1.155 1.136 1.00 0.00 H new ATOM 569 N TYR A 60 1.043 9.055 3.405 1.00 0.00 N ATOM 570 CA TYR A 60 0.063 10.118 3.605 1.00 0.00 C ATOM 571 C TYR A 60 -1.208 9.837 2.788 1.00 0.00 C ATOM 572 O TYR A 60 -2.286 10.341 3.104 1.00 0.00 O ATOM 573 CB TYR A 60 0.679 11.463 3.211 1.00 0.00 C ATOM 574 CG TYR A 60 -0.276 12.629 3.379 1.00 0.00 C ATOM 575 CD1 TYR A 60 -0.494 13.206 4.644 1.00 0.00 C ATOM 576 CD2 TYR A 60 -1.001 13.091 2.267 1.00 0.00 C ATOM 577 CE1 TYR A 60 -1.438 14.241 4.792 1.00 0.00 C ATOM 578 CE2 TYR A 60 -1.947 14.117 2.403 1.00 0.00 C ATOM 579 CZ TYR A 60 -2.172 14.695 3.671 1.00 0.00 C ATOM 580 OH TYR A 60 -3.112 15.668 3.822 1.00 0.00 O ATOM 0 H TYR A 60 1.854 9.333 2.853 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.218 10.155 4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.568 11.640 3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.005 11.416 2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.062 12.855 5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.827 12.651 1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.601 14.688 5.761 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.500 14.463 1.543 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.522 15.864 2.954 1.00 0.00 H new ATOM 590 N THR A 61 -1.119 9.020 1.747 1.00 0.00 N ATOM 591 CA THR A 61 -2.175 8.655 0.830 1.00 0.00 C ATOM 592 C THR A 61 -3.127 7.684 1.513 1.00 0.00 C ATOM 593 O THR A 61 -2.838 6.496 1.612 1.00 0.00 O ATOM 594 CB THR A 61 -1.507 8.028 -0.402 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.228 7.509 -0.060 1.00 0.00 O ATOM 596 CG2 THR A 61 -1.342 9.075 -1.488 1.00 0.00 C ATOM 0 H THR A 61 -0.238 8.564 1.509 1.00 0.00 H new ATOM 0 HA THR A 61 -2.763 9.520 0.524 1.00 0.00 H new ATOM 0 HB THR A 61 -2.140 7.218 -0.764 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.432 7.803 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.867 8.624 -2.359 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.320 9.465 -1.769 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.720 9.889 -1.117 1.00 0.00 H new ATOM 604 N ARG A 62 -4.278 8.158 1.988 1.00 0.00 N ATOM 605 CA ARG A 62 -5.225 7.329 2.733 1.00 0.00 C ATOM 606 C ARG A 62 -5.568 5.989 2.059 1.00 0.00 C ATOM 607 O ARG A 62 -5.543 4.991 2.774 1.00 0.00 O ATOM 608 CB ARG A 62 -6.461 8.156 3.082 1.00 0.00 C ATOM 609 CG ARG A 62 -7.355 7.471 4.119 1.00 0.00 C ATOM 610 CD ARG A 62 -8.487 8.431 4.480 1.00 0.00 C ATOM 611 NE ARG A 62 -9.332 7.902 5.555 1.00 0.00 N ATOM 612 CZ ARG A 62 -10.137 8.636 6.324 1.00 0.00 C ATOM 613 NH1 ARG A 62 -10.254 9.949 6.160 1.00 0.00 N ATOM 614 NH2 ARG A 62 -10.835 8.034 7.272 1.00 0.00 N ATOM 0 H ARG A 62 -4.580 9.125 1.868 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.731 7.024 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.147 9.128 3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.038 8.340 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.758 6.541 3.718 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.778 7.212 5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.067 9.389 4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.098 8.619 3.597 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.302 6.897 5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.720 10.421 5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.878 10.485 6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.752 7.026 7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.456 8.578 7.871 1.00 0.00 H new ATOM 628 N PRO A 63 -5.864 5.875 0.747 1.00 0.00 N ATOM 629 CA PRO A 63 -6.105 4.564 0.144 1.00 0.00 C ATOM 630 C PRO A 63 -4.834 3.710 0.123 1.00 0.00 C ATOM 631 O PRO A 63 -4.917 2.518 0.397 1.00 0.00 O ATOM 632 CB PRO A 63 -6.646 4.839 -1.263 1.00 0.00 C ATOM 633 CG PRO A 63 -6.081 6.217 -1.599 1.00 0.00 C ATOM 634 CD PRO A 63 -6.077 6.923 -0.243 1.00 0.00 C ATOM 0 HA PRO A 63 -6.823 3.985 0.725 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.313 4.084 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.736 4.837 -1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.079 6.151 -2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.701 6.742 -2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.288 7.673 -0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.020 7.441 -0.068 1.00 0.00 H new ATOM 642 N HIS A 64 -3.658 4.284 -0.152 1.00 0.00 N ATOM 643 CA HIS A 64 -2.405 3.540 -0.068 1.00 0.00 C ATOM 644 C HIS A 64 -2.185 3.043 1.377 1.00 0.00 C ATOM 645 O HIS A 64 -1.755 1.909 1.584 1.00 0.00 O ATOM 646 CB HIS A 64 -1.232 4.394 -0.603 1.00 0.00 C ATOM 647 CG HIS A 64 -1.308 4.792 -2.077 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.483 5.688 -2.734 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.140 4.264 -3.029 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.812 5.716 -4.042 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.843 4.869 -4.259 1.00 0.00 N ATOM 0 H HIS A 64 -3.552 5.259 -0.433 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.456 2.656 -0.704 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.169 5.303 -0.005 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.305 3.842 -0.444 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.256 6.240 -2.299 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.895 3.511 -2.861 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.328 6.319 -4.796 1.00 0.00 H new ATOM 659 N ARG A 65 -2.563 3.844 2.379 1.00 0.00 N ATOM 660 CA ARG A 65 -2.479 3.521 3.796 1.00 0.00 C ATOM 661 C ARG A 65 -3.389 2.379 4.174 1.00 0.00 C ATOM 662 O ARG A 65 -2.917 1.422 4.768 1.00 0.00 O ATOM 663 CB ARG A 65 -2.788 4.756 4.653 1.00 0.00 C ATOM 664 CG ARG A 65 -1.948 4.690 5.926 1.00 0.00 C ATOM 665 CD ARG A 65 -1.999 5.995 6.714 1.00 0.00 C ATOM 666 NE ARG A 65 -3.200 6.094 7.554 1.00 0.00 N ATOM 667 CZ ARG A 65 -3.300 6.802 8.682 1.00 0.00 C ATOM 668 NH1 ARG A 65 -2.326 7.633 9.046 1.00 0.00 N ATOM 669 NH2 ARG A 65 -4.376 6.676 9.446 1.00 0.00 N ATOM 0 H ARG A 65 -2.951 4.772 2.211 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.455 3.201 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.563 5.667 4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.849 4.788 4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.305 3.874 6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.914 4.464 5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.112 6.072 7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.973 6.836 6.021 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.027 5.579 7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.496 7.733 8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.410 8.170 9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.125 6.040 9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.455 7.215 10.308 1.00 0.00 H new ATOM 683 N HIS A 66 -4.672 2.467 3.828 1.00 0.00 N ATOM 684 CA HIS A 66 -5.635 1.397 4.000 1.00 0.00 C ATOM 685 C HIS A 66 -5.061 0.066 3.539 1.00 0.00 C ATOM 686 O HIS A 66 -5.088 -0.910 4.289 1.00 0.00 O ATOM 687 CB HIS A 66 -6.875 1.716 3.146 1.00 0.00 C ATOM 688 CG HIS A 66 -7.870 2.682 3.713 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.412 3.785 3.091 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.610 2.426 4.822 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.452 4.197 3.831 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.603 3.410 4.912 1.00 0.00 N ATOM 0 H HIS A 66 -5.074 3.307 3.411 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.890 1.321 5.057 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.533 2.107 2.188 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.393 0.779 2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.460 1.609 5.512 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.080 5.042 3.593 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.301 3.510 5.649 1.00 0.00 H new ATOM 700 N ILE A 67 -4.563 0.037 2.307 1.00 0.00 N ATOM 701 CA ILE A 67 -4.040 -1.158 1.676 1.00 0.00 C ATOM 702 C ILE A 67 -2.843 -1.649 2.502 1.00 0.00 C ATOM 703 O ILE A 67 -2.820 -2.821 2.874 1.00 0.00 O ATOM 704 CB ILE A 67 -3.757 -0.832 0.191 1.00 0.00 C ATOM 705 CG1 ILE A 67 -5.091 -0.479 -0.516 1.00 0.00 C ATOM 706 CG2 ILE A 67 -3.110 -2.003 -0.565 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.900 0.191 -1.876 1.00 0.00 C ATOM 0 H ILE A 67 -4.513 0.864 1.711 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.742 -1.992 1.660 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.058 0.005 0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.676 -1.389 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.671 0.182 0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.935 -1.715 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.161 -2.260 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.774 -2.867 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.874 0.410 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.342 1.119 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.347 -0.477 -2.536 1.00 0.00 H new ATOM 719 N PHE A 68 -1.899 -0.772 2.864 1.00 0.00 N ATOM 720 CA PHE A 68 -0.753 -1.160 3.679 1.00 0.00 C ATOM 721 C PHE A 68 -1.161 -1.672 5.066 1.00 0.00 C ATOM 722 O PHE A 68 -0.620 -2.682 5.513 1.00 0.00 O ATOM 723 CB PHE A 68 0.246 -0.004 3.812 1.00 0.00 C ATOM 724 CG PHE A 68 1.595 -0.478 4.319 1.00 0.00 C ATOM 725 CD1 PHE A 68 2.527 -1.029 3.420 1.00 0.00 C ATOM 726 CD2 PHE A 68 1.899 -0.437 5.692 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.762 -1.506 3.891 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.139 -0.907 6.160 1.00 0.00 C ATOM 729 CZ PHE A 68 4.077 -1.433 5.258 1.00 0.00 C ATOM 0 H PHE A 68 -1.911 0.214 2.602 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.271 -1.987 3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.372 0.480 2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.155 0.746 4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.293 -1.085 2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.176 -0.042 6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.473 -1.931 3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.370 -0.863 7.214 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.036 -1.780 5.613 1.00 0.00 H new ATOM 739 N THR A 69 -2.097 -1.025 5.767 1.00 0.00 N ATOM 740 CA THR A 69 -2.525 -1.475 7.087 1.00 0.00 C ATOM 741 C THR A 69 -3.231 -2.828 6.984 1.00 0.00 C ATOM 742 O THR A 69 -3.148 -3.631 7.917 1.00 0.00 O ATOM 743 CB THR A 69 -3.399 -0.377 7.707 1.00 0.00 C ATOM 744 OG1 THR A 69 -2.579 0.739 7.994 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.090 -0.744 9.022 1.00 0.00 C ATOM 0 H THR A 69 -2.572 -0.185 5.437 1.00 0.00 H new ATOM 0 HA THR A 69 -1.671 -1.637 7.745 1.00 0.00 H new ATOM 0 HB THR A 69 -4.180 -0.191 6.970 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.123 1.452 8.390 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.681 0.103 9.371 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.744 -1.601 8.863 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.338 -0.995 9.770 1.00 0.00 H new ATOM 753 N GLU A 70 -3.892 -3.112 5.860 1.00 0.00 N ATOM 754 CA GLU A 70 -4.549 -4.388 5.649 1.00 0.00 C ATOM 755 C GLU A 70 -3.515 -5.477 5.331 1.00 0.00 C ATOM 756 O GLU A 70 -3.644 -6.594 5.827 1.00 0.00 O ATOM 757 CB GLU A 70 -5.628 -4.253 4.563 1.00 0.00 C ATOM 758 CG GLU A 70 -6.716 -5.314 4.755 1.00 0.00 C ATOM 759 CD GLU A 70 -7.623 -5.074 5.970 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.703 -3.936 6.508 1.00 0.00 O ATOM 761 OE2 GLU A 70 -8.245 -6.068 6.412 1.00 0.00 O ATOM 0 H GLU A 70 -3.982 -2.463 5.079 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.055 -4.695 6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.071 -3.258 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.176 -4.361 3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.333 -5.352 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.242 -6.290 4.857 1.00 0.00 H new ATOM 768 N MET A 71 -2.448 -5.157 4.589 1.00 0.00 N ATOM 769 CA MET A 71 -1.304 -6.054 4.420 1.00 0.00 C ATOM 770 C MET A 71 -0.676 -6.339 5.788 1.00 0.00 C ATOM 771 O MET A 71 -0.435 -7.496 6.129 1.00 0.00 O ATOM 772 CB MET A 71 -0.251 -5.445 3.483 1.00 0.00 C ATOM 773 CG MET A 71 -0.689 -5.274 2.027 1.00 0.00 C ATOM 774 SD MET A 71 0.481 -4.272 1.075 1.00 0.00 S ATOM 775 CE MET A 71 0.009 -4.682 -0.622 1.00 0.00 C ATOM 0 H MET A 71 -2.356 -4.271 4.091 1.00 0.00 H new ATOM 0 HA MET A 71 -1.658 -6.982 3.971 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.039 -4.470 3.875 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.639 -6.075 3.506 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.788 -6.255 1.561 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.673 -4.806 1.998 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.769 -4.313 -1.310 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.078 -5.764 -0.724 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.949 -4.217 -0.856 1.00 0.00 H new ATOM 785 N ALA A 72 -0.449 -5.297 6.596 1.00 0.00 N ATOM 786 CA ALA A 72 0.124 -5.419 7.928 1.00 0.00 C ATOM 787 C ALA A 72 -0.758 -6.288 8.828 1.00 0.00 C ATOM 788 O ALA A 72 -0.235 -7.089 9.608 1.00 0.00 O ATOM 789 CB ALA A 72 0.328 -4.030 8.549 1.00 0.00 C ATOM 0 H ALA A 72 -0.663 -4.335 6.333 1.00 0.00 H new ATOM 0 HA ALA A 72 1.095 -5.907 7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.757 -4.136 9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.004 -3.447 7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.632 -3.519 8.620 1.00 0.00 H new ATOM 795 N ARG A 73 -2.085 -6.136 8.743 1.00 0.00 N ATOM 796 CA ARG A 73 -3.054 -6.967 9.453 1.00 0.00 C ATOM 797 C ARG A 73 -2.881 -8.410 9.018 1.00 0.00 C ATOM 798 O ARG A 73 -2.706 -9.270 9.870 1.00 0.00 O ATOM 799 CB ARG A 73 -4.479 -6.472 9.163 1.00 0.00 C ATOM 800 CG ARG A 73 -5.614 -7.350 9.732 1.00 0.00 C ATOM 801 CD ARG A 73 -6.159 -6.919 11.103 1.00 0.00 C ATOM 802 NE ARG A 73 -6.640 -5.524 11.242 1.00 0.00 N ATOM 803 CZ ARG A 73 -7.062 -4.620 10.349 1.00 0.00 C ATOM 804 NH1 ARG A 73 -7.266 -4.932 9.076 1.00 0.00 N ATOM 805 NH2 ARG A 73 -7.265 -3.377 10.762 1.00 0.00 N ATOM 0 H ARG A 73 -2.520 -5.416 8.166 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.886 -6.900 10.528 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.585 -5.465 9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.607 -6.398 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.438 -7.356 9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.252 -8.375 9.810 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.982 -7.585 11.362 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.374 -7.079 11.842 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.652 -5.187 12.205 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.101 -5.885 8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.588 -4.219 8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.100 -3.130 11.738 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.586 -2.667 10.104 1.00 0.00 H new ATOM 819 N LEU A 74 -2.944 -8.685 7.716 1.00 0.00 N ATOM 820 CA LEU A 74 -2.863 -10.027 7.184 1.00 0.00 C ATOM 821 C LEU A 74 -1.571 -10.691 7.630 1.00 0.00 C ATOM 822 O LEU A 74 -1.621 -11.817 8.111 1.00 0.00 O ATOM 823 CB LEU A 74 -2.958 -9.954 5.659 1.00 0.00 C ATOM 824 CG LEU A 74 -4.399 -9.843 5.135 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.371 -9.336 3.694 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.137 -11.187 5.180 1.00 0.00 C ATOM 0 H LEU A 74 -3.054 -7.967 7.000 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.687 -10.633 7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.386 -9.095 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.493 -10.842 5.232 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.934 -9.147 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.390 -9.255 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.894 -8.357 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.809 -10.034 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.151 -11.058 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.608 -11.913 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.178 -11.545 6.209 1.00 0.00 H new ATOM 838 N GLN A 75 -0.431 -10.011 7.536 1.00 0.00 N ATOM 839 CA GLN A 75 0.848 -10.557 7.970 1.00 0.00 C ATOM 840 C GLN A 75 0.834 -10.861 9.465 1.00 0.00 C ATOM 841 O GLN A 75 1.314 -11.916 9.880 1.00 0.00 O ATOM 842 CB GLN A 75 1.946 -9.529 7.656 1.00 0.00 C ATOM 843 CG GLN A 75 3.374 -10.095 7.675 1.00 0.00 C ATOM 844 CD GLN A 75 3.699 -10.948 6.451 1.00 0.00 C ATOM 845 OE1 GLN A 75 3.635 -12.174 6.493 1.00 0.00 O ATOM 846 NE2 GLN A 75 4.046 -10.340 5.331 1.00 0.00 N ATOM 0 H GLN A 75 -0.370 -9.066 7.157 1.00 0.00 H new ATOM 0 HA GLN A 75 1.039 -11.491 7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.753 -9.099 6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.882 -8.716 8.379 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.084 -9.270 7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.508 -10.696 8.575 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.098 -9.322 5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.261 -10.889 4.499 1.00 0.00 H new ATOM 855 N GLU A 76 0.274 -9.958 10.272 1.00 0.00 N ATOM 856 CA GLU A 76 0.078 -10.183 11.704 1.00 0.00 C ATOM 857 C GLU A 76 -0.808 -11.419 11.934 1.00 0.00 C ATOM 858 O GLU A 76 -0.484 -12.256 12.780 1.00 0.00 O ATOM 859 CB GLU A 76 -0.420 -8.893 12.386 1.00 0.00 C ATOM 860 CG GLU A 76 -0.452 -8.962 13.926 1.00 0.00 C ATOM 861 CD GLU A 76 -1.833 -9.295 14.503 1.00 0.00 C ATOM 862 OE1 GLU A 76 -2.568 -10.128 13.932 1.00 0.00 O ATOM 863 OE2 GLU A 76 -2.230 -8.709 15.538 1.00 0.00 O ATOM 0 H GLU A 76 -0.057 -9.049 9.950 1.00 0.00 H new ATOM 0 HA GLU A 76 1.028 -10.415 12.185 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.222 -8.065 12.084 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.423 -8.668 12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.262 -9.714 14.261 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.121 -8.005 14.330 1.00 0.00 H new ATOM 870 N SER A 77 -1.807 -11.636 11.077 1.00 0.00 N ATOM 871 CA SER A 77 -2.716 -12.774 11.076 1.00 0.00 C ATOM 872 C SER A 77 -2.113 -13.989 10.353 1.00 0.00 C ATOM 873 O SER A 77 -2.814 -14.982 10.136 1.00 0.00 O ATOM 874 CB SER A 77 -4.031 -12.347 10.435 1.00 0.00 C ATOM 875 OG SER A 77 -4.853 -11.655 11.355 1.00 0.00 O ATOM 0 H SER A 77 -2.012 -10.981 10.322 1.00 0.00 H new ATOM 0 HA SER A 77 -2.893 -13.087 12.105 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.828 -11.709 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.558 -13.225 10.063 1.00 0.00 H new ATOM 0 HG SER A 77 -5.688 -11.393 10.914 1.00 0.00 H new ATOM 881 N GLY A 78 -0.829 -13.943 9.984 1.00 0.00 N ATOM 882 CA GLY A 78 -0.106 -15.071 9.424 1.00 0.00 C ATOM 883 C GLY A 78 -0.635 -15.419 8.043 1.00 0.00 C ATOM 884 O GLY A 78 -0.626 -16.585 7.651 1.00 0.00 O ATOM 0 H GLY A 78 -0.259 -13.101 10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.956 -14.834 9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.202 -15.934 10.083 1.00 0.00 H new ATOM 888 N SER A 79 -1.182 -14.437 7.335 1.00 0.00 N ATOM 889 CA SER A 79 -1.928 -14.628 6.102 1.00 0.00 C ATOM 890 C SER A 79 -1.135 -14.076 4.908 1.00 0.00 C ATOM 891 O SER A 79 -0.201 -13.291 5.111 1.00 0.00 O ATOM 892 CB SER A 79 -3.288 -13.944 6.257 1.00 0.00 C ATOM 893 OG SER A 79 -3.995 -14.484 7.363 1.00 0.00 O ATOM 0 H SER A 79 -1.115 -13.458 7.614 1.00 0.00 H new ATOM 0 HA SER A 79 -2.087 -15.689 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.148 -12.872 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.872 -14.074 5.346 1.00 0.00 H new ATOM 0 HG SER A 79 -3.437 -14.428 8.167 1.00 0.00 H new ATOM 899 N PRO A 80 -1.474 -14.485 3.674 1.00 0.00 N ATOM 900 CA PRO A 80 -0.891 -13.916 2.464 1.00 0.00 C ATOM 901 C PRO A 80 -1.193 -12.418 2.347 1.00 0.00 C ATOM 902 O PRO A 80 -2.158 -11.937 2.939 1.00 0.00 O ATOM 903 CB PRO A 80 -1.536 -14.668 1.296 1.00 0.00 C ATOM 904 CG PRO A 80 -2.218 -15.887 1.914 1.00 0.00 C ATOM 905 CD PRO A 80 -2.468 -15.500 3.359 1.00 0.00 C ATOM 0 HA PRO A 80 0.194 -14.019 2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.257 -14.038 0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.787 -14.968 0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.150 -16.121 1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.585 -16.772 1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.478 -15.113 3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.369 -16.363 4.018 1.00 0.00 H new ATOM 913 N ILE A 81 -0.442 -11.705 1.502 1.00 0.00 N ATOM 914 CA ILE A 81 -0.681 -10.292 1.178 1.00 0.00 C ATOM 915 C ILE A 81 -0.759 -10.065 -0.340 1.00 0.00 C ATOM 916 O ILE A 81 -0.659 -8.936 -0.820 1.00 0.00 O ATOM 917 CB ILE A 81 0.329 -9.368 1.902 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.768 -9.531 1.370 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.271 -9.573 3.428 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.723 -8.451 1.877 1.00 0.00 C ATOM 0 H ILE A 81 0.363 -12.099 1.015 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.662 -10.013 1.563 1.00 0.00 H new ATOM 0 HB ILE A 81 0.031 -8.343 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.148 -10.510 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.750 -9.509 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.990 -8.912 3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.732 -9.344 3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.514 -10.609 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.718 -8.623 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.365 -7.471 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.769 -8.487 2.965 1.00 0.00 H new ATOM 932 N ASP A 82 -0.920 -11.146 -1.108 1.00 0.00 N ATOM 933 CA ASP A 82 -1.230 -11.070 -2.534 1.00 0.00 C ATOM 934 C ASP A 82 -2.598 -10.427 -2.753 1.00 0.00 C ATOM 935 O ASP A 82 -3.410 -10.306 -1.832 1.00 0.00 O ATOM 936 CB ASP A 82 -1.144 -12.438 -3.221 1.00 0.00 C ATOM 937 CG ASP A 82 -2.105 -13.461 -2.632 1.00 0.00 C ATOM 938 OD1 ASP A 82 -3.338 -13.369 -2.829 1.00 0.00 O ATOM 939 OD2 ASP A 82 -1.611 -14.401 -1.975 1.00 0.00 O ATOM 0 H ASP A 82 -0.838 -12.100 -0.755 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.473 -10.438 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.356 -12.319 -4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.125 -12.816 -3.139 1.00 0.00 H new ATOM 944 N LEU A 83 -2.833 -10.023 -4.004 1.00 0.00 N ATOM 945 CA LEU A 83 -3.939 -9.179 -4.425 1.00 0.00 C ATOM 946 C LEU A 83 -5.274 -9.656 -3.885 1.00 0.00 C ATOM 947 O LEU A 83 -5.924 -8.931 -3.142 1.00 0.00 O ATOM 948 CB LEU A 83 -3.936 -9.069 -5.958 1.00 0.00 C ATOM 949 CG LEU A 83 -4.789 -7.928 -6.538 1.00 0.00 C ATOM 950 CD1 LEU A 83 -6.288 -7.989 -6.293 1.00 0.00 C ATOM 951 CD2 LEU A 83 -4.304 -6.578 -6.041 1.00 0.00 C ATOM 0 H LEU A 83 -2.227 -10.290 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.798 -8.185 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.907 -8.938 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.290 -10.012 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.650 -8.061 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.768 -7.126 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.691 -8.904 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.482 -7.981 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.925 -5.789 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.371 -6.545 -4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.268 -6.429 -6.346 1.00 0.00 H new ATOM 963 N ILE A 84 -5.717 -10.841 -4.290 1.00 0.00 N ATOM 964 CA ILE A 84 -7.042 -11.333 -4.008 1.00 0.00 C ATOM 965 C ILE A 84 -7.237 -11.527 -2.506 1.00 0.00 C ATOM 966 O ILE A 84 -8.285 -11.160 -1.980 1.00 0.00 O ATOM 967 CB ILE A 84 -7.233 -12.601 -4.854 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.723 -12.344 -6.298 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.716 -13.000 -4.891 1.00 0.00 C ATOM 970 CD1 ILE A 84 -5.330 -12.887 -6.628 1.00 0.00 C ATOM 0 H ILE A 84 -5.148 -11.491 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.820 -10.621 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.663 -13.414 -4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.436 -12.782 -6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.723 -11.269 -6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.836 -13.900 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.066 -13.193 -3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.300 -12.190 -5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.082 -12.648 -7.662 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.595 -12.432 -5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.320 -13.969 -6.493 1.00 0.00 H new ATOM 982 N THR A 85 -6.215 -12.009 -1.801 1.00 0.00 N ATOM 983 CA THR A 85 -6.246 -12.130 -0.353 1.00 0.00 C ATOM 984 C THR A 85 -6.503 -10.769 0.299 1.00 0.00 C ATOM 985 O THR A 85 -7.357 -10.628 1.180 1.00 0.00 O ATOM 986 CB THR A 85 -4.944 -12.776 0.149 1.00 0.00 C ATOM 987 OG1 THR A 85 -4.648 -13.943 -0.599 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.075 -13.172 1.622 1.00 0.00 C ATOM 0 H THR A 85 -5.342 -12.326 -2.223 1.00 0.00 H new ATOM 0 HA THR A 85 -7.072 -12.781 -0.065 1.00 0.00 H new ATOM 0 HB THR A 85 -4.145 -12.045 0.030 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.223 -13.690 -1.445 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.144 -13.628 1.960 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.283 -12.285 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.891 -13.886 1.736 1.00 0.00 H new ATOM 996 N LEU A 86 -5.766 -9.760 -0.152 1.00 0.00 N ATOM 997 CA LEU A 86 -5.821 -8.393 0.341 1.00 0.00 C ATOM 998 C LEU A 86 -7.172 -7.751 0.057 1.00 0.00 C ATOM 999 O LEU A 86 -7.757 -7.109 0.928 1.00 0.00 O ATOM 1000 CB LEU A 86 -4.696 -7.609 -0.333 1.00 0.00 C ATOM 1001 CG LEU A 86 -4.462 -6.215 0.255 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.099 -6.252 1.741 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -3.306 -5.592 -0.524 1.00 0.00 C ATOM 0 H LEU A 86 -5.086 -9.880 -0.903 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.694 -8.387 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.772 -8.183 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.923 -7.510 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.383 -5.638 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.945 -5.236 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.909 -6.718 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.184 -6.829 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.103 -4.593 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.416 -6.212 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.572 -5.526 -1.579 1.00 0.00 H new ATOM 1015 N ALA A 87 -7.658 -7.947 -1.166 1.00 0.00 N ATOM 1016 CA ALA A 87 -8.955 -7.491 -1.624 1.00 0.00 C ATOM 1017 C ALA A 87 -10.043 -8.052 -0.722 1.00 0.00 C ATOM 1018 O ALA A 87 -10.809 -7.282 -0.151 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.184 -7.902 -3.079 1.00 0.00 C ATOM 0 H ALA A 87 -7.136 -8.446 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.989 -6.403 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.163 -7.551 -3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.411 -7.460 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.141 -8.988 -3.161 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.085 -9.373 -0.550 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.059 -10.028 0.313 1.00 0.00 C ATOM 1027 C GLU A 88 -10.905 -9.574 1.768 1.00 0.00 C ATOM 1028 O GLU A 88 -11.881 -9.594 2.519 1.00 0.00 O ATOM 1029 CB GLU A 88 -10.928 -11.556 0.192 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.403 -12.101 -1.167 1.00 0.00 C ATOM 1031 CD GLU A 88 -12.895 -11.885 -1.444 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -13.722 -11.922 -0.514 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -13.281 -11.737 -2.632 1.00 0.00 O ATOM 0 H GLU A 88 -9.441 -10.018 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.058 -9.739 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.886 -11.838 0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.506 -12.028 0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.825 -11.624 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.187 -13.168 -1.213 1.00 0.00 H new ATOM 1040 N SER A 89 -9.711 -9.158 2.205 1.00 0.00 N ATOM 1041 CA SER A 89 -9.512 -8.621 3.544 1.00 0.00 C ATOM 1042 C SER A 89 -10.262 -7.300 3.664 1.00 0.00 C ATOM 1043 O SER A 89 -11.087 -7.157 4.565 1.00 0.00 O ATOM 1044 CB SER A 89 -8.022 -8.511 3.879 1.00 0.00 C ATOM 1045 OG SER A 89 -7.799 -8.456 5.280 1.00 0.00 O ATOM 0 H SER A 89 -8.863 -9.186 1.639 1.00 0.00 H new ATOM 0 HA SER A 89 -9.924 -9.303 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.491 -9.366 3.460 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.609 -7.618 3.410 1.00 0.00 H new ATOM 0 HG SER A 89 -8.272 -7.684 5.656 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.015 -6.365 2.741 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.706 -5.080 2.670 1.00 0.00 C ATOM 1053 C LEU A 90 -12.208 -5.269 2.465 1.00 0.00 C ATOM 1054 O LEU A 90 -12.992 -4.472 2.969 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.137 -4.226 1.526 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.821 -3.499 1.861 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -8.178 -3.003 0.566 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -9.006 -2.312 2.825 1.00 0.00 C ATOM 0 H LEU A 90 -9.315 -6.486 2.009 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.546 -4.568 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.972 -4.866 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.883 -3.485 1.238 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.180 -4.220 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.246 -2.487 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.971 -3.852 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.858 -2.316 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.040 -1.846 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.679 -1.581 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.431 -2.668 3.763 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.639 -6.298 1.742 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.047 -6.637 1.602 1.00 0.00 C ATOM 1072 C GLU A 91 -14.650 -7.086 2.929 1.00 0.00 C ATOM 1073 O GLU A 91 -15.733 -6.612 3.271 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.249 -7.673 0.479 1.00 0.00 C ATOM 1075 CG GLU A 91 -15.134 -7.062 -0.608 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.246 -7.920 -1.870 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -14.240 -8.128 -2.581 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -16.381 -8.316 -2.229 1.00 0.00 O ATOM 0 H GLU A 91 -12.014 -6.924 1.234 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.588 -5.737 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.287 -7.967 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.712 -8.576 0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.132 -6.899 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.737 -6.084 -0.879 1.00 0.00 H new ATOM 1085 N ARG A 92 -13.962 -7.910 3.727 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.430 -8.203 5.086 1.00 0.00 C ATOM 1087 C ARG A 92 -14.491 -6.933 5.943 1.00 0.00 C ATOM 1088 O ARG A 92 -15.399 -6.826 6.771 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.616 -9.321 5.768 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.931 -10.710 5.183 1.00 0.00 C ATOM 1091 CD ARG A 92 -13.563 -11.870 6.122 1.00 0.00 C ATOM 1092 NE ARG A 92 -12.111 -12.027 6.316 1.00 0.00 N ATOM 1093 CZ ARG A 92 -11.512 -12.842 7.192 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -12.213 -13.629 8.000 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -10.188 -12.884 7.254 1.00 0.00 N ATOM 0 H ARG A 92 -13.095 -8.378 3.462 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.447 -8.585 4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.552 -9.114 5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.829 -9.322 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.995 -10.765 4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.393 -10.830 4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.036 -11.708 7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.971 -12.797 5.719 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.503 -11.459 5.725 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.232 -13.621 7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.732 -14.241 8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.630 -12.296 6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.728 -13.504 7.921 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.624 -5.942 5.708 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.735 -4.636 6.363 1.00 0.00 C ATOM 1111 C GLN A 93 -14.881 -3.793 5.799 1.00 0.00 C ATOM 1112 O GLN A 93 -15.259 -2.807 6.437 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.474 -3.778 6.157 1.00 0.00 C ATOM 1114 CG GLN A 93 -11.151 -4.400 6.571 1.00 0.00 C ATOM 1115 CD GLN A 93 -11.027 -4.620 8.068 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -11.720 -4.019 8.891 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -10.120 -5.487 8.453 1.00 0.00 N ATOM 0 H GLN A 93 -12.835 -6.021 5.066 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.897 -4.876 7.414 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.411 -3.514 5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.601 -2.848 6.711 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.032 -5.356 6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.336 -3.757 6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.555 -5.976 7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.980 -5.672 9.446 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.392 -4.099 4.603 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.302 -3.203 3.916 1.00 0.00 C ATOM 1128 C GLY A 94 -15.586 -1.886 3.593 1.00 0.00 C ATOM 1129 O GLY A 94 -16.180 -0.808 3.728 1.00 0.00 O ATOM 0 H GLY A 94 -15.186 -4.961 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.661 -3.668 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.176 -3.010 4.538 1.00 0.00 H new ATOM 1133 N GLN A 95 -14.305 -1.958 3.219 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.429 -0.844 2.857 1.00 0.00 C ATOM 1135 C GLN A 95 -12.815 -1.035 1.463 1.00 0.00 C ATOM 1136 O GLN A 95 -11.983 -0.226 1.059 1.00 0.00 O ATOM 1137 CB GLN A 95 -12.318 -0.669 3.903 1.00 0.00 C ATOM 1138 CG GLN A 95 -12.832 -0.184 5.265 1.00 0.00 C ATOM 1139 CD GLN A 95 -11.695 -0.023 6.274 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -10.600 -0.554 6.109 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -11.932 0.689 7.360 1.00 0.00 N ATOM 0 H GLN A 95 -13.823 -2.855 3.158 1.00 0.00 H new ATOM 0 HA GLN A 95 -14.041 0.057 2.833 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.802 -1.620 4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.584 0.043 3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.346 0.769 5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.564 -0.893 5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.843 1.128 7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.204 0.800 8.066 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.208 -2.071 0.716 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.777 -2.265 -0.665 1.00 0.00 C ATOM 1152 C LEU A 96 -13.168 -1.034 -1.478 1.00 0.00 C ATOM 1153 O LEU A 96 -12.328 -0.444 -2.156 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.393 -3.542 -1.245 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.754 -3.894 -2.603 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.587 -4.868 -2.434 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.798 -4.500 -3.532 1.00 0.00 C ATOM 0 H LEU A 96 -13.836 -2.799 1.056 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.694 -2.385 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.252 -4.368 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.468 -3.409 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.369 -2.972 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.159 -5.096 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.825 -4.416 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.945 -5.788 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.336 -4.745 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.203 -5.406 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.603 -3.783 -3.691 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.428 -0.603 -1.382 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.870 0.596 -2.089 1.00 0.00 C ATOM 1171 C ASP A 97 -14.123 1.820 -1.561 1.00 0.00 C ATOM 1172 O ASP A 97 -13.674 2.653 -2.345 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.384 0.791 -1.985 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.901 1.568 -3.194 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.902 2.819 -3.188 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -17.279 0.900 -4.187 1.00 0.00 O ATOM 0 H ASP A 97 -15.151 -1.062 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.637 0.469 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.880 -0.178 -1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.627 1.328 -1.068 1.00 0.00 H new ATOM 1181 N SER A 98 -13.895 1.886 -0.245 1.00 0.00 N ATOM 1182 CA SER A 98 -13.162 2.947 0.440 1.00 0.00 C ATOM 1183 C SER A 98 -11.692 3.090 0.005 1.00 0.00 C ATOM 1184 O SER A 98 -11.042 4.023 0.485 1.00 0.00 O ATOM 1185 CB SER A 98 -13.254 2.736 1.960 1.00 0.00 C ATOM 1186 OG SER A 98 -12.987 3.935 2.667 1.00 0.00 O ATOM 0 H SER A 98 -14.233 1.168 0.396 1.00 0.00 H new ATOM 0 HA SER A 98 -13.639 3.884 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.249 2.373 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.545 1.966 2.265 1.00 0.00 H new ATOM 0 HG SER A 98 -12.255 4.417 2.229 1.00 0.00 H new ATOM 1192 N VAL A 99 -11.156 2.229 -0.871 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.851 2.433 -1.498 1.00 0.00 C ATOM 1194 C VAL A 99 -9.950 2.596 -3.020 1.00 0.00 C ATOM 1195 O VAL A 99 -8.953 2.936 -3.656 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.853 1.333 -1.082 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.711 1.257 0.444 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.187 -0.064 -1.616 1.00 0.00 C ATOM 0 H VAL A 99 -11.621 1.369 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.458 3.379 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.912 1.635 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.001 0.472 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.351 2.213 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.680 1.032 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.433 -0.774 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.166 -0.370 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.199 -0.044 -2.706 1.00 0.00 H new ATOM 1208 N GLY A 100 -11.129 2.401 -3.618 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.354 2.492 -5.056 1.00 0.00 C ATOM 1210 C GLY A 100 -11.824 1.182 -5.686 1.00 0.00 C ATOM 1211 O GLY A 100 -11.814 1.067 -6.913 1.00 0.00 O ATOM 0 H GLY A 100 -11.974 2.169 -3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.096 3.266 -5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.430 2.807 -5.541 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.255 0.204 -4.892 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.748 -1.070 -5.385 1.00 0.00 C ATOM 1217 C GLY A 101 -11.597 -1.976 -5.817 1.00 0.00 C ATOM 1218 O GLY A 101 -10.418 -1.610 -5.746 1.00 0.00 O ATOM 0 H GLY A 101 -12.270 0.280 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.331 -1.563 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.419 -0.902 -6.228 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.946 -3.172 -6.294 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.981 -4.141 -6.794 1.00 0.00 C ATOM 1224 C PHE A 102 -10.198 -3.549 -7.962 1.00 0.00 C ATOM 1225 O PHE A 102 -9.025 -3.866 -8.100 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.673 -5.456 -7.193 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.729 -6.636 -7.373 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -10.015 -6.821 -8.573 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -10.566 -7.563 -6.327 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.140 -7.915 -8.718 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -9.686 -8.651 -6.471 1.00 0.00 C ATOM 1232 CZ PHE A 102 -8.980 -8.839 -7.670 1.00 0.00 C ATOM 0 H PHE A 102 -12.913 -3.493 -6.343 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.278 -4.374 -5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.410 -5.710 -6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.218 -5.297 -8.124 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -10.139 -6.121 -9.386 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.120 -7.438 -5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.589 -8.045 -9.638 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -9.553 -9.346 -5.655 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.320 -9.686 -7.786 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.790 -2.656 -8.766 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.099 -1.993 -9.864 1.00 0.00 C ATOM 1244 C ALA A 103 -8.846 -1.254 -9.386 1.00 0.00 C ATOM 1245 O ALA A 103 -7.786 -1.412 -9.990 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.048 -1.029 -10.583 1.00 0.00 C ATOM 0 H ALA A 103 -11.766 -2.376 -8.667 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.776 -2.764 -10.564 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.519 -0.540 -11.401 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.898 -1.584 -10.980 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.403 -0.276 -9.880 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.938 -0.477 -8.302 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.795 0.281 -7.801 1.00 0.00 C ATOM 1254 C TYR A 104 -6.695 -0.652 -7.301 1.00 0.00 C ATOM 1255 O TYR A 104 -5.513 -0.386 -7.519 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.254 1.227 -6.686 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.221 2.257 -6.266 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -7.120 3.453 -6.992 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.390 2.051 -5.146 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -6.230 4.460 -6.590 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.481 3.050 -4.742 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.404 4.267 -5.462 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.572 5.278 -5.074 1.00 0.00 O ATOM 0 H TYR A 104 -9.792 -0.359 -7.758 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.380 0.870 -8.619 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.153 1.747 -7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.531 0.633 -5.815 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.733 3.600 -7.869 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.450 1.124 -4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.177 5.385 -7.145 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.844 2.887 -3.885 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.666 4.926 -4.948 1.00 0.00 H new ATOM 1273 N LEU A 105 -7.075 -1.762 -6.659 1.00 0.00 N ATOM 1274 CA LEU A 105 -6.127 -2.794 -6.261 1.00 0.00 C ATOM 1275 C LEU A 105 -5.500 -3.420 -7.503 1.00 0.00 C ATOM 1276 O LEU A 105 -4.287 -3.592 -7.566 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.803 -3.874 -5.398 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.455 -3.368 -4.103 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -8.021 -4.556 -3.325 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.460 -2.627 -3.208 1.00 0.00 C ATOM 0 H LEU A 105 -8.042 -1.964 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.347 -2.330 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.565 -4.371 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.059 -4.628 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.245 -2.671 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.485 -4.201 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.767 -5.067 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.215 -5.248 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.966 -2.288 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.645 -3.298 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.059 -1.767 -3.744 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.313 -3.771 -8.496 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.869 -4.427 -9.707 1.00 0.00 C ATOM 1294 C ALA A 106 -4.882 -3.547 -10.476 1.00 0.00 C ATOM 1295 O ALA A 106 -3.939 -4.087 -11.059 1.00 0.00 O ATOM 1296 CB ALA A 106 -7.082 -4.786 -10.566 1.00 0.00 C ATOM 0 H ALA A 106 -7.318 -3.601 -8.474 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.343 -5.345 -9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.748 -5.280 -11.478 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.737 -5.456 -10.009 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.627 -3.878 -10.824 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.081 -2.226 -10.446 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.157 -1.250 -11.001 1.00 0.00 C ATOM 1304 C GLU A 107 -2.806 -1.390 -10.306 1.00 0.00 C ATOM 1305 O GLU A 107 -1.813 -1.615 -10.998 1.00 0.00 O ATOM 1306 CB GLU A 107 -4.729 0.175 -10.885 1.00 0.00 C ATOM 1307 CG GLU A 107 -3.741 1.245 -11.384 1.00 0.00 C ATOM 1308 CD GLU A 107 -4.329 2.662 -11.379 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -4.815 3.132 -10.321 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -4.242 3.342 -12.426 1.00 0.00 O ATOM 0 H GLU A 107 -5.908 -1.803 -10.025 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.015 -1.439 -12.065 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.653 0.241 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.985 0.377 -9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.849 1.227 -10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.425 0.994 -12.396 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.771 -1.306 -8.968 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.551 -1.452 -8.166 1.00 0.00 C ATOM 1319 C LEU A 108 -0.827 -2.737 -8.533 1.00 0.00 C ATOM 1320 O LEU A 108 0.372 -2.716 -8.804 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.860 -1.495 -6.659 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.343 -0.176 -6.053 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -2.887 -0.407 -4.645 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.192 0.811 -5.957 1.00 0.00 C ATOM 0 H LEU A 108 -3.604 -1.132 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.928 -0.584 -8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.619 -2.257 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.961 -1.812 -6.129 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.127 0.222 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.227 0.540 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.723 -1.106 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.100 -0.821 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.549 1.745 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.408 0.395 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.792 1.002 -6.953 1.00 0.00 H new ATOM 1336 N SER A 109 -1.568 -3.845 -8.571 1.00 0.00 N ATOM 1337 CA SER A 109 -1.043 -5.183 -8.779 1.00 0.00 C ATOM 1338 C SER A 109 -0.223 -5.248 -10.073 1.00 0.00 C ATOM 1339 O SER A 109 0.759 -5.987 -10.145 1.00 0.00 O ATOM 1340 CB SER A 109 -2.223 -6.158 -8.850 1.00 0.00 C ATOM 1341 OG SER A 109 -1.907 -7.453 -8.374 1.00 0.00 O ATOM 0 H SER A 109 -2.581 -3.829 -8.454 1.00 0.00 H new ATOM 0 HA SER A 109 -0.384 -5.451 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.053 -5.757 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.564 -6.231 -9.883 1.00 0.00 H new ATOM 0 HG SER A 109 -2.640 -8.068 -8.588 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.622 -4.471 -11.087 1.00 0.00 N ATOM 1348 CA LYS A 110 0.011 -4.407 -12.399 1.00 0.00 C ATOM 1349 C LYS A 110 0.609 -3.011 -12.605 1.00 0.00 C ATOM 1350 O LYS A 110 0.540 -2.462 -13.702 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.035 -4.807 -13.460 1.00 0.00 C ATOM 1352 CG LYS A 110 -0.437 -5.067 -14.859 1.00 0.00 C ATOM 1353 CD LYS A 110 -1.322 -4.512 -15.980 1.00 0.00 C ATOM 1354 CE LYS A 110 -2.653 -5.269 -16.046 1.00 0.00 C ATOM 1355 NZ LYS A 110 -3.626 -4.611 -16.938 1.00 0.00 N ATOM 0 H LYS A 110 -1.426 -3.848 -11.008 1.00 0.00 H new ATOM 0 HA LYS A 110 0.842 -5.107 -12.488 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.554 -5.705 -13.124 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.782 -4.017 -13.536 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.551 -4.612 -14.920 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.303 -6.139 -15.001 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.509 -3.452 -15.811 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.803 -4.596 -16.935 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.473 -6.286 -16.395 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.075 -5.345 -15.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.510 -5.158 -16.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.819 -3.649 -16.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.236 -4.561 -17.901 1.00 0.00 H new ATOM 1369 N ASN A 111 1.140 -2.383 -11.557 1.00 0.00 N ATOM 1370 CA ASN A 111 1.811 -1.086 -11.622 1.00 0.00 C ATOM 1371 C ASN A 111 3.137 -1.210 -10.880 1.00 0.00 C ATOM 1372 O ASN A 111 3.437 -0.465 -9.945 1.00 0.00 O ATOM 1373 CB ASN A 111 0.907 0.032 -11.071 1.00 0.00 C ATOM 1374 CG ASN A 111 1.551 1.413 -11.153 1.00 0.00 C ATOM 1375 OD1 ASN A 111 2.584 1.621 -11.784 1.00 0.00 O ATOM 1376 ND2 ASN A 111 0.951 2.414 -10.537 1.00 0.00 N ATOM 0 H ASN A 111 1.115 -2.773 -10.615 1.00 0.00 H new ATOM 0 HA ASN A 111 2.016 -0.804 -12.655 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.031 0.041 -11.627 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.660 -0.187 -10.032 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.345 3.353 -10.587 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.093 2.248 -10.011 1.00 0.00 H new ATOM 1383 N THR A 112 3.944 -2.208 -11.241 1.00 0.00 N ATOM 1384 CA THR A 112 5.291 -2.359 -10.707 1.00 0.00 C ATOM 1385 C THR A 112 6.186 -3.012 -11.761 1.00 0.00 C ATOM 1386 O THR A 112 5.750 -3.976 -12.399 1.00 0.00 O ATOM 1387 CB THR A 112 5.257 -3.225 -9.436 1.00 0.00 C ATOM 1388 OG1 THR A 112 4.282 -2.752 -8.540 1.00 0.00 O ATOM 1389 CG2 THR A 112 6.601 -3.219 -8.701 1.00 0.00 C ATOM 0 H THR A 112 3.680 -2.931 -11.910 1.00 0.00 H new ATOM 0 HA THR A 112 5.691 -1.378 -10.453 1.00 0.00 H new ATOM 0 HB THR A 112 5.026 -4.239 -9.762 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.390 -2.972 -8.881 1.00 0.00 H new ATOM 0 HG21 THR A 112 6.531 -3.843 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.377 -3.611 -9.359 1.00 0.00 H new ATOM 0 HG23 THR A 112 6.852 -2.199 -8.411 1.00 0.00 H new ATOM 1397 N PRO A 113 7.438 -2.556 -11.931 1.00 0.00 N ATOM 1398 CA PRO A 113 8.430 -3.256 -12.727 1.00 0.00 C ATOM 1399 C PRO A 113 8.939 -4.470 -11.933 1.00 0.00 C ATOM 1400 O PRO A 113 9.997 -4.411 -11.310 1.00 0.00 O ATOM 1401 CB PRO A 113 9.510 -2.209 -13.022 1.00 0.00 C ATOM 1402 CG PRO A 113 9.472 -1.303 -11.791 1.00 0.00 C ATOM 1403 CD PRO A 113 7.991 -1.307 -11.416 1.00 0.00 C ATOM 0 HA PRO A 113 8.051 -3.660 -13.666 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.490 -2.668 -13.153 1.00 0.00 H new ATOM 0 HB3 PRO A 113 9.294 -1.655 -13.935 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.095 -1.690 -10.984 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.830 -0.298 -12.016 1.00 0.00 H new ATOM 0 HD2 PRO A 113 7.864 -1.243 -10.335 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.479 -0.448 -11.849 1.00 0.00 H new ATOM 1411 N SER A 114 8.157 -5.553 -11.906 1.00 0.00 N ATOM 1412 CA SER A 114 8.549 -6.876 -11.409 1.00 0.00 C ATOM 1413 C SER A 114 9.226 -6.867 -10.023 1.00 0.00 C ATOM 1414 O SER A 114 10.177 -7.613 -9.787 1.00 0.00 O ATOM 1415 CB SER A 114 9.416 -7.532 -12.491 1.00 0.00 C ATOM 1416 OG SER A 114 8.786 -7.421 -13.760 1.00 0.00 O ATOM 0 H SER A 114 7.195 -5.532 -12.243 1.00 0.00 H new ATOM 0 HA SER A 114 7.648 -7.463 -11.231 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.396 -7.055 -12.521 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.580 -8.582 -12.249 1.00 0.00 H new ATOM 0 HG SER A 114 9.349 -7.842 -14.443 1.00 0.00 H new ATOM 1422 N ALA A 115 8.753 -5.997 -9.118 1.00 0.00 N ATOM 1423 CA ALA A 115 9.308 -5.695 -7.793 1.00 0.00 C ATOM 1424 C ALA A 115 10.788 -5.259 -7.784 1.00 0.00 C ATOM 1425 O ALA A 115 11.329 -4.985 -6.715 1.00 0.00 O ATOM 1426 CB ALA A 115 9.032 -6.853 -6.822 1.00 0.00 C ATOM 0 H ALA A 115 7.914 -5.449 -9.307 1.00 0.00 H new ATOM 0 HA ALA A 115 8.781 -4.806 -7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.449 -6.615 -5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.956 -7.003 -6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.494 -7.764 -7.202 1.00 0.00 H new ATOM 1432 N ALA A 116 11.435 -5.098 -8.942 1.00 0.00 N ATOM 1433 CA ALA A 116 12.876 -4.911 -9.072 1.00 0.00 C ATOM 1434 C ALA A 116 13.411 -3.651 -8.392 1.00 0.00 C ATOM 1435 O ALA A 116 14.602 -3.578 -8.095 1.00 0.00 O ATOM 1436 CB ALA A 116 13.238 -4.869 -10.556 1.00 0.00 C ATOM 0 H ALA A 116 10.952 -5.095 -9.840 1.00 0.00 H new ATOM 0 HA ALA A 116 13.343 -5.754 -8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.314 -4.729 -10.664 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.944 -5.806 -11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.715 -4.041 -11.035 1.00 0.00 H new ATOM 1442 N ASN A 117 12.551 -2.658 -8.155 1.00 0.00 N ATOM 1443 CA ASN A 117 12.904 -1.375 -7.550 1.00 0.00 C ATOM 1444 C ASN A 117 12.091 -1.134 -6.274 1.00 0.00 C ATOM 1445 O ASN A 117 12.036 -0.006 -5.797 1.00 0.00 O ATOM 1446 CB ASN A 117 12.745 -0.231 -8.579 1.00 0.00 C ATOM 1447 CG ASN A 117 13.821 -0.226 -9.664 1.00 0.00 C ATOM 1448 OD1 ASN A 117 14.819 -0.939 -9.594 1.00 0.00 O ATOM 1449 ND2 ASN A 117 13.666 0.579 -10.697 1.00 0.00 N ATOM 0 H ASN A 117 11.560 -2.728 -8.386 1.00 0.00 H new ATOM 0 HA ASN A 117 13.953 -1.398 -7.255 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.766 -0.313 -9.051 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.767 0.724 -8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.373 0.607 -11.432 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.840 1.173 -10.761 1.00 0.00 H new ATOM 1456 N ILE A 118 11.437 -2.158 -5.710 1.00 0.00 N ATOM 1457 CA ILE A 118 10.514 -1.995 -4.581 1.00 0.00 C ATOM 1458 C ILE A 118 11.180 -1.311 -3.395 1.00 0.00 C ATOM 1459 O ILE A 118 10.627 -0.391 -2.798 1.00 0.00 O ATOM 1460 CB ILE A 118 9.905 -3.363 -4.213 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.549 -3.142 -3.519 1.00 0.00 C ATOM 1462 CG2 ILE A 118 10.842 -4.324 -3.455 1.00 0.00 C ATOM 1463 CD1 ILE A 118 7.862 -4.431 -3.062 1.00 0.00 C ATOM 0 H ILE A 118 11.534 -3.123 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 118 9.703 -1.332 -4.881 1.00 0.00 H new ATOM 0 HB ILE A 118 9.743 -3.903 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.697 -2.496 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.885 -2.612 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.316 -5.255 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.720 -4.533 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.153 -3.864 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.913 -4.188 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.679 -5.071 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.503 -4.953 -2.352 1.00 0.00 H new ATOM 1475 N SER A 119 12.398 -1.744 -3.105 1.00 0.00 N ATOM 1476 CA SER A 119 13.240 -1.218 -2.041 1.00 0.00 C ATOM 1477 C SER A 119 13.485 0.277 -2.232 1.00 0.00 C ATOM 1478 O SER A 119 13.378 1.058 -1.287 1.00 0.00 O ATOM 1479 CB SER A 119 14.575 -1.986 -2.016 1.00 0.00 C ATOM 1480 OG SER A 119 14.444 -3.292 -2.554 1.00 0.00 O ATOM 0 H SER A 119 12.844 -2.500 -3.624 1.00 0.00 H new ATOM 0 HA SER A 119 12.731 -1.353 -1.087 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.323 -1.433 -2.584 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.938 -2.051 -0.990 1.00 0.00 H new ATOM 0 HG SER A 119 14.372 -3.941 -1.823 1.00 0.00 H new ATOM 1486 N ALA A 120 13.775 0.666 -3.474 1.00 0.00 N ATOM 1487 CA ALA A 120 14.035 2.045 -3.845 1.00 0.00 C ATOM 1488 C ALA A 120 12.768 2.869 -3.672 1.00 0.00 C ATOM 1489 O ALA A 120 12.828 3.971 -3.128 1.00 0.00 O ATOM 1490 CB ALA A 120 14.529 2.136 -5.295 1.00 0.00 C ATOM 0 H ALA A 120 13.835 0.017 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 120 14.815 2.440 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.717 3.179 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.451 1.564 -5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 120 13.770 1.730 -5.964 1.00 0.00 H new ATOM 1496 N TYR A 121 11.623 2.337 -4.100 1.00 0.00 N ATOM 1497 CA TYR A 121 10.358 3.019 -3.964 1.00 0.00 C ATOM 1498 C TYR A 121 10.013 3.202 -2.488 1.00 0.00 C ATOM 1499 O TYR A 121 9.657 4.313 -2.103 1.00 0.00 O ATOM 1500 CB TYR A 121 9.267 2.253 -4.713 1.00 0.00 C ATOM 1501 CG TYR A 121 9.376 2.232 -6.227 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.564 3.430 -6.943 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.198 1.025 -6.931 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.522 3.435 -8.345 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.178 1.018 -8.336 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.297 2.232 -9.047 1.00 0.00 C ATOM 1507 OH TYR A 121 9.161 2.234 -10.400 1.00 0.00 O ATOM 0 H TYR A 121 11.558 1.423 -4.548 1.00 0.00 H new ATOM 0 HA TYR A 121 10.431 4.011 -4.409 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.266 1.223 -4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.302 2.684 -4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.742 4.352 -6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.076 0.100 -6.388 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.662 4.359 -8.887 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.072 0.086 -8.871 1.00 0.00 H new ATOM 0 HH TYR A 121 9.013 1.318 -10.715 1.00 0.00 H new ATOM 1517 N ALA A 122 10.165 2.170 -1.649 1.00 0.00 N ATOM 1518 CA ALA A 122 9.901 2.276 -0.217 1.00 0.00 C ATOM 1519 C ALA A 122 10.800 3.335 0.428 1.00 0.00 C ATOM 1520 O ALA A 122 10.353 4.065 1.313 1.00 0.00 O ATOM 1521 CB ALA A 122 10.089 0.906 0.444 1.00 0.00 C ATOM 0 H ALA A 122 10.473 1.244 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 122 8.869 2.595 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.891 0.988 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.397 0.190 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.113 0.565 0.289 1.00 0.00 H new ATOM 1527 N ASP A 123 12.049 3.451 -0.027 1.00 0.00 N ATOM 1528 CA ASP A 123 12.988 4.466 0.443 1.00 0.00 C ATOM 1529 C ASP A 123 12.483 5.876 0.127 1.00 0.00 C ATOM 1530 O ASP A 123 12.622 6.781 0.948 1.00 0.00 O ATOM 1531 CB ASP A 123 14.347 4.234 -0.221 1.00 0.00 C ATOM 1532 CG ASP A 123 15.491 4.911 0.521 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.854 4.424 1.617 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.126 5.823 -0.052 1.00 0.00 O ATOM 0 H ASP A 123 12.439 2.835 -0.740 1.00 0.00 H new ATOM 0 HA ASP A 123 13.083 4.382 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.540 3.163 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.314 4.606 -1.245 1.00 0.00 H new ATOM 1539 N ILE A 124 11.863 6.055 -1.044 1.00 0.00 N ATOM 1540 CA ILE A 124 11.259 7.314 -1.485 1.00 0.00 C ATOM 1541 C ILE A 124 9.979 7.603 -0.683 1.00 0.00 C ATOM 1542 O ILE A 124 9.746 8.759 -0.331 1.00 0.00 O ATOM 1543 CB ILE A 124 11.022 7.293 -3.019 1.00 0.00 C ATOM 1544 CG1 ILE A 124 12.366 7.194 -3.780 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.271 8.550 -3.504 1.00 0.00 C ATOM 1546 CD1 ILE A 124 12.226 6.697 -5.224 1.00 0.00 C ATOM 0 H ILE A 124 11.765 5.306 -1.730 1.00 0.00 H new ATOM 0 HA ILE A 124 11.946 8.137 -1.286 1.00 0.00 H new ATOM 0 HB ILE A 124 10.409 6.416 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 124 12.841 8.175 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 124 13.031 6.522 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.126 8.494 -4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.301 8.607 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 124 10.854 9.438 -3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 124 13.210 6.655 -5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 124 11.781 5.702 -5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 124 11.588 7.381 -5.784 1.00 0.00 H new ATOM 1558 N VAL A 125 9.151 6.607 -0.349 1.00 0.00 N ATOM 1559 CA VAL A 125 7.989 6.865 0.509 1.00 0.00 C ATOM 1560 C VAL A 125 8.467 7.316 1.890 1.00 0.00 C ATOM 1561 O VAL A 125 7.971 8.312 2.423 1.00 0.00 O ATOM 1562 CB VAL A 125 7.039 5.656 0.592 1.00 0.00 C ATOM 1563 CG1 VAL A 125 5.741 6.043 1.324 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.684 5.112 -0.800 1.00 0.00 C ATOM 0 H VAL A 125 9.258 5.638 -0.650 1.00 0.00 H new ATOM 0 HA VAL A 125 7.402 7.667 0.061 1.00 0.00 H new ATOM 0 HB VAL A 125 7.562 4.876 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.080 5.178 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 125 5.979 6.378 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.244 6.848 0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.012 4.260 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.194 5.893 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.594 4.797 -1.310 1.00 0.00 H new ATOM 1574 N ARG A 126 9.466 6.623 2.450 1.00 0.00 N ATOM 1575 CA ARG A 126 10.104 7.018 3.700 1.00 0.00 C ATOM 1576 C ARG A 126 10.672 8.433 3.592 1.00 0.00 C ATOM 1577 O ARG A 126 10.521 9.196 4.538 1.00 0.00 O ATOM 1578 CB ARG A 126 11.168 5.973 4.076 1.00 0.00 C ATOM 1579 CG ARG A 126 11.950 6.284 5.359 1.00 0.00 C ATOM 1580 CD ARG A 126 11.093 6.272 6.636 1.00 0.00 C ATOM 1581 NE ARG A 126 11.656 5.346 7.632 1.00 0.00 N ATOM 1582 CZ ARG A 126 11.820 5.541 8.944 1.00 0.00 C ATOM 1583 NH1 ARG A 126 11.385 6.641 9.543 1.00 0.00 N ATOM 1584 NH2 ARG A 126 12.446 4.617 9.657 1.00 0.00 N ATOM 0 H ARG A 126 9.852 5.771 2.043 1.00 0.00 H new ATOM 0 HA ARG A 126 9.368 7.047 4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.681 5.004 4.190 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.874 5.880 3.250 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.754 5.556 5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.418 7.263 5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.042 7.277 7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.073 5.976 6.392 1.00 0.00 H new ATOM 0 HE ARG A 126 11.960 4.440 7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.912 7.364 9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.523 6.764 10.546 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.795 3.772 9.204 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.580 4.750 10.659 1.00 0.00 H new ATOM 1598 N GLU A 127 11.269 8.819 2.461 1.00 0.00 N ATOM 1599 CA GLU A 127 11.761 10.178 2.239 1.00 0.00 C ATOM 1600 C GLU A 127 10.617 11.168 2.414 1.00 0.00 C ATOM 1601 O GLU A 127 10.694 12.075 3.239 1.00 0.00 O ATOM 1602 CB GLU A 127 12.366 10.299 0.832 1.00 0.00 C ATOM 1603 CG GLU A 127 13.087 11.629 0.571 1.00 0.00 C ATOM 1604 CD GLU A 127 12.613 12.285 -0.727 1.00 0.00 C ATOM 1605 OE1 GLU A 127 12.926 11.791 -1.833 1.00 0.00 O ATOM 1606 OE2 GLU A 127 11.933 13.338 -0.697 1.00 0.00 O ATOM 0 H GLU A 127 11.425 8.193 1.671 1.00 0.00 H new ATOM 0 HA GLU A 127 12.540 10.403 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.070 9.481 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.572 10.178 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.913 12.307 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.162 11.456 0.520 1.00 0.00 H new ATOM 1613 N ARG A 128 9.530 10.986 1.662 1.00 0.00 N ATOM 1614 CA ARG A 128 8.373 11.882 1.743 1.00 0.00 C ATOM 1615 C ARG A 128 7.766 11.913 3.143 1.00 0.00 C ATOM 1616 O ARG A 128 7.244 12.952 3.553 1.00 0.00 O ATOM 1617 CB ARG A 128 7.303 11.499 0.710 1.00 0.00 C ATOM 1618 CG ARG A 128 7.762 11.657 -0.740 1.00 0.00 C ATOM 1619 CD ARG A 128 8.084 13.100 -1.133 1.00 0.00 C ATOM 1620 NE ARG A 128 9.386 13.180 -1.794 1.00 0.00 N ATOM 1621 CZ ARG A 128 9.636 13.062 -3.098 1.00 0.00 C ATOM 1622 NH1 ARG A 128 8.656 12.955 -3.999 1.00 0.00 N ATOM 1623 NH2 ARG A 128 10.904 13.064 -3.468 1.00 0.00 N ATOM 0 H ARG A 128 9.426 10.226 0.989 1.00 0.00 H new ATOM 0 HA ARG A 128 8.737 12.884 1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.005 10.464 0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.419 12.116 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 128 8.647 11.041 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.984 11.275 -1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.309 13.482 -1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.082 13.732 -0.245 1.00 0.00 H new ATOM 0 HE ARG A 128 10.192 13.344 -1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 128 7.682 12.962 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.882 12.866 -4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.640 13.153 -2.767 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.148 12.976 -4.455 1.00 0.00 H new ATOM 1637 N ALA A 129 7.829 10.812 3.888 1.00 0.00 N ATOM 1638 CA ALA A 129 7.380 10.777 5.266 1.00 0.00 C ATOM 1639 C ALA A 129 8.315 11.591 6.163 1.00 0.00 C ATOM 1640 O ALA A 129 7.848 12.332 7.031 1.00 0.00 O ATOM 1641 CB ALA A 129 7.298 9.332 5.735 1.00 0.00 C ATOM 0 H ALA A 129 8.194 9.922 3.548 1.00 0.00 H new ATOM 0 HA ALA A 129 6.389 11.227 5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.961 9.304 6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.593 8.786 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.282 8.869 5.662 1.00 0.00 H new ATOM 1647 N VAL A 130 9.631 11.473 5.994 1.00 0.00 N ATOM 1648 CA VAL A 130 10.604 12.248 6.755 1.00 0.00 C ATOM 1649 C VAL A 130 10.454 13.737 6.414 1.00 0.00 C ATOM 1650 O VAL A 130 10.483 14.579 7.311 1.00 0.00 O ATOM 1651 CB VAL A 130 12.015 11.668 6.526 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.125 12.557 7.097 1.00 0.00 C ATOM 1653 CG2 VAL A 130 12.122 10.304 7.225 1.00 0.00 C ATOM 0 H VAL A 130 10.052 10.833 5.321 1.00 0.00 H new ATOM 0 HA VAL A 130 10.424 12.173 7.827 1.00 0.00 H new ATOM 0 HB VAL A 130 12.148 11.592 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.094 12.097 6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.088 13.537 6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 130 12.983 12.671 8.172 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.118 9.891 7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 130 11.947 10.428 8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.377 9.624 6.812 1.00 0.00 H new ATOM 1663 N VAL A 131 10.165 14.074 5.157 1.00 0.00 N ATOM 1664 CA VAL A 131 9.881 15.439 4.730 1.00 0.00 C ATOM 1665 C VAL A 131 8.603 15.930 5.432 1.00 0.00 C ATOM 1666 O VAL A 131 8.554 17.093 5.837 1.00 0.00 O ATOM 1667 CB VAL A 131 9.784 15.458 3.184 1.00 0.00 C ATOM 1668 CG1 VAL A 131 9.217 16.760 2.609 1.00 0.00 C ATOM 1669 CG2 VAL A 131 11.164 15.249 2.536 1.00 0.00 C ATOM 0 H VAL A 131 10.122 13.394 4.398 1.00 0.00 H new ATOM 0 HA VAL A 131 10.677 16.128 5.013 1.00 0.00 H new ATOM 0 HB VAL A 131 9.099 14.643 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.182 16.693 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 131 8.210 16.920 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 131 9.855 17.595 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 131 11.063 15.267 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 131 11.838 16.045 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 131 11.570 14.286 2.846 1.00 0.00 H new ATOM 1679 N ARG A 132 7.590 15.073 5.617 1.00 0.00 N ATOM 1680 CA ARG A 132 6.383 15.379 6.389 1.00 0.00 C ATOM 1681 C ARG A 132 6.643 15.585 7.872 1.00 0.00 C ATOM 1682 O ARG A 132 5.919 16.360 8.491 1.00 0.00 O ATOM 1683 CB ARG A 132 5.297 14.315 6.095 1.00 0.00 C ATOM 1684 CG ARG A 132 4.095 14.218 7.057 1.00 0.00 C ATOM 1685 CD ARG A 132 4.335 13.280 8.257 1.00 0.00 C ATOM 1686 NE ARG A 132 3.232 13.370 9.229 1.00 0.00 N ATOM 1687 CZ ARG A 132 3.314 13.217 10.558 1.00 0.00 C ATOM 1688 NH1 ARG A 132 4.397 12.695 11.123 1.00 0.00 N ATOM 1689 NH2 ARG A 132 2.298 13.594 11.324 1.00 0.00 N ATOM 0 H ARG A 132 7.589 14.131 5.226 1.00 0.00 H new ATOM 0 HA ARG A 132 6.009 16.348 6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 132 4.909 14.503 5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 132 5.784 13.340 6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 132 3.857 15.215 7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 132 3.224 13.868 6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.432 12.253 7.906 1.00 0.00 H new ATOM 0 HD3 ARG A 132 5.275 13.540 8.744 1.00 0.00 H new ATOM 0 HE ARG A 132 2.306 13.570 8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 132 5.184 12.403 10.544 1.00 0.00 H new ATOM 0 HH12 ARG A 132 4.442 12.586 12.136 1.00 0.00 H new ATOM 0 HH21 ARG A 132 1.462 13.997 10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 132 2.353 13.481 12.336 1.00 0.00 H new ATOM 1703 N GLU A 133 7.611 14.902 8.470 1.00 0.00 N ATOM 1704 CA GLU A 133 7.822 15.003 9.914 1.00 0.00 C ATOM 1705 C GLU A 133 8.756 16.170 10.252 1.00 0.00 C ATOM 1706 O GLU A 133 8.557 16.845 11.260 1.00 0.00 O ATOM 1707 CB GLU A 133 8.239 13.650 10.519 1.00 0.00 C ATOM 1708 CG GLU A 133 9.746 13.382 10.575 1.00 0.00 C ATOM 1709 CD GLU A 133 10.072 12.061 11.265 1.00 0.00 C ATOM 1710 OE1 GLU A 133 9.916 10.988 10.642 1.00 0.00 O ATOM 1711 OE2 GLU A 133 10.509 12.077 12.439 1.00 0.00 O ATOM 0 H GLU A 133 8.257 14.278 7.987 1.00 0.00 H new ATOM 0 HA GLU A 133 6.874 15.243 10.395 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.840 13.587 11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.769 12.854 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.149 13.370 9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.239 14.198 11.104 1.00 0.00 H new ATOM 1718 N MET A 134 9.746 16.451 9.399 1.00 0.00 N ATOM 1719 CA MET A 134 10.835 17.393 9.664 1.00 0.00 C ATOM 1720 C MET A 134 10.529 18.812 9.149 1.00 0.00 C ATOM 1721 O MET A 134 11.465 19.541 8.807 1.00 0.00 O ATOM 1722 CB MET A 134 12.158 16.830 9.101 1.00 0.00 C ATOM 1723 CG MET A 134 12.595 15.560 9.838 1.00 0.00 C ATOM 1724 SD MET A 134 14.234 14.916 9.409 1.00 0.00 S ATOM 1725 CE MET A 134 15.327 16.091 10.249 1.00 0.00 C ATOM 0 H MET A 134 9.813 16.016 8.479 1.00 0.00 H new ATOM 0 HA MET A 134 10.940 17.499 10.744 1.00 0.00 H new ATOM 0 HB2 MET A 134 12.038 16.611 8.040 1.00 0.00 H new ATOM 0 HB3 MET A 134 12.939 17.586 9.184 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.574 15.760 10.909 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.858 14.780 9.645 1.00 0.00 H new ATOM 0 HE1 MET A 134 16.366 15.814 10.069 1.00 0.00 H new ATOM 0 HE2 MET A 134 15.147 17.095 9.864 1.00 0.00 H new ATOM 0 HE3 MET A 134 15.127 16.072 11.320 1.00 0.00 H new ATOM 1735 N ILE A 135 9.247 19.197 9.057 1.00 0.00 N ATOM 1736 CA ILE A 135 8.786 20.518 8.609 1.00 0.00 C ATOM 1737 C ILE A 135 9.606 21.674 9.203 1.00 0.00 C ATOM 1738 O ILE A 135 10.131 22.483 8.435 1.00 0.00 O ATOM 1739 CB ILE A 135 7.283 20.743 8.930 1.00 0.00 C ATOM 1740 CG1 ILE A 135 6.338 19.592 8.540 1.00 0.00 C ATOM 1741 CG2 ILE A 135 6.788 22.046 8.279 1.00 0.00 C ATOM 1742 CD1 ILE A 135 6.279 19.291 7.042 1.00 0.00 C ATOM 0 H ILE A 135 8.477 18.575 9.301 1.00 0.00 H new ATOM 0 HA ILE A 135 8.931 20.521 7.529 1.00 0.00 H new ATOM 0 HB ILE A 135 7.244 20.799 10.018 1.00 0.00 H new ATOM 0 HG12 ILE A 135 6.651 18.690 9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 135 5.333 19.832 8.888 1.00 0.00 H new ATOM 0 HG21 ILE A 135 5.733 22.191 8.512 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.364 22.887 8.665 1.00 0.00 H new ATOM 0 HG23 ILE A 135 6.916 21.984 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.589 18.467 6.863 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.934 20.176 6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 135 7.272 19.016 6.687 1.00 0.00 H new ATOM 1754 N SER A 136 9.707 21.751 10.536 1.00 0.00 N ATOM 1755 CA SER A 136 10.237 22.904 11.264 1.00 0.00 C ATOM 1756 C SER A 136 9.487 24.163 10.837 1.00 0.00 C ATOM 1757 O SER A 136 8.234 24.140 10.836 1.00 0.00 O ATOM 1758 CB SER A 136 11.751 23.039 11.078 1.00 0.00 C ATOM 1759 OG SER A 136 12.426 21.869 11.499 1.00 0.00 O ATOM 1760 OXT SER A 136 10.115 25.190 10.510 1.00 0.00 O ATOM 0 H SER A 136 9.414 20.992 11.151 1.00 0.00 H new ATOM 0 HA SER A 136 10.077 22.756 12.332 1.00 0.00 H new ATOM 0 HB2 SER A 136 11.975 23.233 10.029 1.00 0.00 H new ATOM 0 HB3 SER A 136 12.115 23.896 11.646 1.00 0.00 H new ATOM 0 HG SER A 136 13.390 21.982 11.367 1.00 0.00 H new TER 1766 SER A 136