USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 651 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 36 ASN : amide:sc= 0.0258 K(o=0.34,f=-0.46) USER MOD Set 1.2: A 38 THR OG1 : rot 98:sc= 0.311 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 37:sc= 0.094 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 32 ASN : amide:sc= -0.0937 K(o=-0.094,f=-2) USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 174:sc= 0.869 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0199 F(o=-0.75,f=-0.02) USER MOD Single : A 82 HIS : no HD1:sc= -0.0255 X(o=-0.026,f=-0.011) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.0992 F(o=-1.5!,f=-0.099) USER MOD Single : A 85 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.017) USER MOD Single : A 87 LYS NZ :NH3+ -125:sc= 1.1 (180deg=-0.022) USER MOD Single : A 90 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.035) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 133:sc= 0.274 USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.0128 K(o=0.013,f=-2.9!) USER MOD Single : A 102 SER OG : rot 54:sc= 0.235 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -38:sc= 0.279 USER MOD Single : A 106 GLN : amide:sc= -1.14 K(o=-1.1,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 3.003 4.065 -12.572 1.00 0.00 N ATOM 2 CA MET A 21 4.377 3.951 -13.109 1.00 0.00 C ATOM 3 C MET A 21 4.486 2.685 -13.970 1.00 0.00 C ATOM 4 O MET A 21 4.413 1.564 -13.442 1.00 0.00 O ATOM 5 CB MET A 21 5.430 3.923 -11.962 1.00 0.00 C ATOM 6 CG MET A 21 5.405 5.152 -11.036 1.00 0.00 C ATOM 7 SD MET A 21 5.689 6.703 -11.924 1.00 0.00 S ATOM 8 CE MET A 21 5.580 7.908 -10.597 1.00 0.00 C ATOM 0 HA MET A 21 4.584 4.826 -13.725 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.268 3.028 -11.360 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.424 3.836 -12.401 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.441 5.200 -10.529 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.166 5.036 -10.264 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.736 8.909 -11.000 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.594 7.852 -10.135 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.344 7.696 -9.849 1.00 0.00 H new ATOM 18 N ALA A 22 4.637 2.867 -15.297 1.00 0.00 N ATOM 19 CA ALA A 22 4.812 1.756 -16.246 1.00 0.00 C ATOM 20 C ALA A 22 6.237 1.188 -16.118 1.00 0.00 C ATOM 21 O ALA A 22 7.171 1.610 -16.810 1.00 0.00 O ATOM 22 CB ALA A 22 4.498 2.217 -17.677 1.00 0.00 C ATOM 0 H ALA A 22 4.641 3.787 -15.737 1.00 0.00 H new ATOM 0 HA ALA A 22 4.110 0.957 -16.009 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.633 1.383 -18.366 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.467 2.567 -17.728 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.171 3.028 -17.954 1.00 0.00 H new ATOM 28 N SER A 23 6.383 0.244 -15.179 1.00 0.00 N ATOM 29 CA SER A 23 7.664 -0.366 -14.816 1.00 0.00 C ATOM 30 C SER A 23 7.468 -1.887 -14.689 1.00 0.00 C ATOM 31 O SER A 23 6.636 -2.344 -13.887 1.00 0.00 O ATOM 32 CB SER A 23 8.181 0.264 -13.493 1.00 0.00 C ATOM 33 OG SER A 23 7.184 0.248 -12.480 1.00 0.00 O ATOM 0 H SER A 23 5.597 -0.122 -14.641 1.00 0.00 H new ATOM 0 HA SER A 23 8.414 -0.179 -15.585 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.059 -0.282 -13.148 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.496 1.291 -13.677 1.00 0.00 H new ATOM 0 HG SER A 23 6.662 -0.579 -12.548 1.00 0.00 H new ATOM 39 N GLY A 24 8.222 -2.657 -15.492 1.00 0.00 N ATOM 40 CA GLY A 24 8.045 -4.106 -15.574 1.00 0.00 C ATOM 41 C GLY A 24 6.793 -4.477 -16.360 1.00 0.00 C ATOM 42 O GLY A 24 5.878 -5.112 -15.825 1.00 0.00 O ATOM 0 H GLY A 24 8.961 -2.293 -16.093 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.918 -4.553 -16.049 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.980 -4.522 -14.569 1.00 0.00 H new ATOM 46 N TRP A 25 6.753 -4.057 -17.634 1.00 0.00 N ATOM 47 CA TRP A 25 5.557 -4.195 -18.496 1.00 0.00 C ATOM 48 C TRP A 25 5.902 -4.610 -19.953 1.00 0.00 C ATOM 49 O TRP A 25 5.211 -5.456 -20.534 1.00 0.00 O ATOM 50 CB TRP A 25 4.757 -2.856 -18.484 1.00 0.00 C ATOM 51 CG TRP A 25 5.474 -1.661 -19.106 1.00 0.00 C ATOM 52 CD1 TRP A 25 6.700 -1.151 -18.768 1.00 0.00 C ATOM 53 CD2 TRP A 25 4.989 -0.829 -20.179 1.00 0.00 C ATOM 54 NE1 TRP A 25 7.002 -0.073 -19.559 1.00 0.00 N ATOM 55 CE2 TRP A 25 5.970 0.146 -20.428 1.00 0.00 C ATOM 56 CE3 TRP A 25 3.821 -0.823 -20.947 1.00 0.00 C ATOM 57 CZ2 TRP A 25 5.821 1.116 -21.417 1.00 0.00 C ATOM 58 CZ3 TRP A 25 3.667 0.142 -21.925 1.00 0.00 C ATOM 59 CH2 TRP A 25 4.666 1.100 -22.155 1.00 0.00 C ATOM 0 H TRP A 25 7.544 -3.612 -18.100 1.00 0.00 H new ATOM 0 HA TRP A 25 4.948 -5.001 -18.086 1.00 0.00 H new ATOM 0 HB2 TRP A 25 3.816 -3.009 -19.013 1.00 0.00 H new ATOM 0 HB3 TRP A 25 4.506 -2.611 -17.452 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.338 -1.543 -17.989 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.859 0.477 -19.507 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.051 -1.561 -20.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.588 1.854 -21.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.766 0.159 -22.520 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.522 1.839 -22.929 1.00 0.00 H new ATOM 70 N ALA A 26 6.962 -4.016 -20.541 1.00 0.00 N ATOM 71 CA ALA A 26 7.227 -4.124 -21.996 1.00 0.00 C ATOM 72 C ALA A 26 8.718 -3.954 -22.333 1.00 0.00 C ATOM 73 O ALA A 26 9.258 -4.675 -23.182 1.00 0.00 O ATOM 74 CB ALA A 26 6.389 -3.083 -22.759 1.00 0.00 C ATOM 0 H ALA A 26 7.648 -3.457 -20.034 1.00 0.00 H new ATOM 0 HA ALA A 26 6.939 -5.128 -22.307 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.588 -3.168 -23.827 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.330 -3.261 -22.572 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.654 -2.082 -22.419 1.00 0.00 H new ATOM 80 N ASN A 27 9.376 -3.004 -21.650 1.00 0.00 N ATOM 81 CA ASN A 27 10.786 -2.621 -21.914 1.00 0.00 C ATOM 82 C ASN A 27 11.749 -3.531 -21.114 1.00 0.00 C ATOM 83 O ASN A 27 12.803 -3.090 -20.640 1.00 0.00 O ATOM 84 CB ASN A 27 10.975 -1.118 -21.528 1.00 0.00 C ATOM 85 CG ASN A 27 10.054 -0.170 -22.308 1.00 0.00 C ATOM 86 OD1 ASN A 27 9.729 -0.409 -23.470 1.00 0.00 O ATOM 87 ND2 ASN A 27 9.625 0.908 -21.668 1.00 0.00 N ATOM 0 H ASN A 27 8.948 -2.472 -20.892 1.00 0.00 H new ATOM 0 HA ASN A 27 11.018 -2.751 -22.971 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.788 -0.998 -20.461 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.012 -0.832 -21.704 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.007 1.568 -22.139 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.913 1.077 -20.704 1.00 0.00 H new ATOM 94 N ASP A 28 11.399 -4.826 -21.026 1.00 0.00 N ATOM 95 CA ASP A 28 11.933 -5.742 -19.996 1.00 0.00 C ATOM 96 C ASP A 28 12.448 -7.052 -20.601 1.00 0.00 C ATOM 97 O ASP A 28 12.128 -7.398 -21.746 1.00 0.00 O ATOM 98 CB ASP A 28 10.823 -6.023 -18.949 1.00 0.00 C ATOM 99 CG ASP A 28 10.360 -4.743 -18.236 1.00 0.00 C ATOM 100 OD1 ASP A 28 9.436 -4.061 -18.742 1.00 0.00 O ATOM 101 OD2 ASP A 28 10.952 -4.383 -17.199 1.00 0.00 O ATOM 0 H ASP A 28 10.739 -5.269 -21.665 1.00 0.00 H new ATOM 0 HA ASP A 28 12.786 -5.262 -19.516 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.971 -6.491 -19.442 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.194 -6.734 -18.211 1.00 0.00 H new ATOM 106 N ASP A 29 13.231 -7.782 -19.780 1.00 0.00 N ATOM 107 CA ASP A 29 13.876 -9.049 -20.162 1.00 0.00 C ATOM 108 C ASP A 29 12.841 -10.145 -20.442 1.00 0.00 C ATOM 109 O ASP A 29 13.004 -10.927 -21.362 1.00 0.00 O ATOM 110 CB ASP A 29 14.852 -9.528 -19.053 1.00 0.00 C ATOM 111 CG ASP A 29 16.031 -8.567 -18.828 1.00 0.00 C ATOM 112 OD1 ASP A 29 15.910 -7.635 -18.001 1.00 0.00 O ATOM 113 OD2 ASP A 29 17.088 -8.739 -19.473 1.00 0.00 O ATOM 0 H ASP A 29 13.434 -7.501 -18.821 1.00 0.00 H new ATOM 0 HA ASP A 29 14.437 -8.861 -21.077 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.302 -9.643 -18.119 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.239 -10.512 -19.319 1.00 0.00 H new ATOM 118 N ALA A 30 11.758 -10.183 -19.655 1.00 0.00 N ATOM 119 CA ALA A 30 10.706 -11.222 -19.773 1.00 0.00 C ATOM 120 C ALA A 30 9.686 -10.900 -20.894 1.00 0.00 C ATOM 121 O ALA A 30 8.609 -11.499 -20.952 1.00 0.00 O ATOM 122 CB ALA A 30 10.003 -11.396 -18.413 1.00 0.00 C ATOM 0 H ALA A 30 11.579 -9.500 -18.918 1.00 0.00 H new ATOM 0 HA ALA A 30 11.184 -12.160 -20.055 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.230 -12.159 -18.498 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.733 -11.701 -17.663 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.549 -10.451 -18.115 1.00 0.00 H new ATOM 128 N VAL A 31 10.058 -9.985 -21.817 1.00 0.00 N ATOM 129 CA VAL A 31 9.178 -9.512 -22.908 1.00 0.00 C ATOM 130 C VAL A 31 9.946 -9.550 -24.245 1.00 0.00 C ATOM 131 O VAL A 31 9.461 -10.100 -25.247 1.00 0.00 O ATOM 132 CB VAL A 31 8.652 -8.040 -22.655 1.00 0.00 C ATOM 133 CG1 VAL A 31 7.710 -7.563 -23.789 1.00 0.00 C ATOM 134 CG2 VAL A 31 7.965 -7.906 -21.272 1.00 0.00 C ATOM 0 H VAL A 31 10.982 -9.552 -21.826 1.00 0.00 H new ATOM 0 HA VAL A 31 8.315 -10.176 -22.943 1.00 0.00 H new ATOM 0 HB VAL A 31 9.526 -7.389 -22.656 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.371 -6.549 -23.578 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.247 -7.576 -24.738 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.849 -8.228 -23.850 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.618 -6.882 -21.136 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.116 -8.587 -21.220 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.678 -8.155 -20.486 1.00 0.00 H new ATOM 144 N ASN A 32 11.172 -8.977 -24.224 1.00 0.00 N ATOM 145 CA ASN A 32 11.994 -8.745 -25.437 1.00 0.00 C ATOM 146 C ASN A 32 12.462 -10.063 -26.094 1.00 0.00 C ATOM 147 O ASN A 32 12.894 -10.052 -27.236 1.00 0.00 O ATOM 148 CB ASN A 32 13.216 -7.825 -25.117 1.00 0.00 C ATOM 149 CG ASN A 32 14.308 -8.481 -24.261 1.00 0.00 C ATOM 150 OD1 ASN A 32 14.044 -9.366 -23.457 1.00 0.00 O ATOM 151 ND2 ASN A 32 15.541 -8.035 -24.418 1.00 0.00 N ATOM 0 H ASN A 32 11.621 -8.662 -23.364 1.00 0.00 H new ATOM 0 HA ASN A 32 11.353 -8.237 -26.158 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.660 -7.494 -26.056 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.857 -6.934 -24.603 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.300 -8.429 -23.862 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.734 -7.297 -25.095 1.00 0.00 H new ATOM 158 N GLU A 33 12.375 -11.186 -25.355 1.00 0.00 N ATOM 159 CA GLU A 33 12.748 -12.535 -25.855 1.00 0.00 C ATOM 160 C GLU A 33 11.739 -13.030 -26.908 1.00 0.00 C ATOM 161 O GLU A 33 12.115 -13.639 -27.913 1.00 0.00 O ATOM 162 CB GLU A 33 12.806 -13.539 -24.677 1.00 0.00 C ATOM 163 CG GLU A 33 13.602 -13.032 -23.463 1.00 0.00 C ATOM 164 CD GLU A 33 13.721 -14.064 -22.333 1.00 0.00 C ATOM 165 OE1 GLU A 33 14.687 -14.854 -22.337 1.00 0.00 O ATOM 166 OE2 GLU A 33 12.841 -14.094 -21.445 1.00 0.00 O ATOM 0 H GLU A 33 12.044 -11.189 -24.390 1.00 0.00 H new ATOM 0 HA GLU A 33 13.730 -12.465 -26.322 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.789 -13.772 -24.361 1.00 0.00 H new ATOM 0 HB3 GLU A 33 13.251 -14.470 -25.028 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.602 -12.745 -23.789 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.123 -12.133 -23.074 1.00 0.00 H new ATOM 173 N GLN A 34 10.454 -12.749 -26.640 1.00 0.00 N ATOM 174 CA GLN A 34 9.333 -13.105 -27.531 1.00 0.00 C ATOM 175 C GLN A 34 9.330 -12.192 -28.773 1.00 0.00 C ATOM 176 O GLN A 34 8.921 -12.599 -29.863 1.00 0.00 O ATOM 177 CB GLN A 34 7.994 -12.980 -26.749 1.00 0.00 C ATOM 178 CG GLN A 34 6.737 -13.458 -27.514 1.00 0.00 C ATOM 179 CD GLN A 34 5.425 -13.363 -26.710 1.00 0.00 C ATOM 180 OE1 GLN A 34 5.483 -13.537 -25.394 1.00 0.00 O flip ATOM 181 NE2 GLN A 34 4.359 -13.150 -27.278 1.00 0.00 N flip ATOM 0 H GLN A 34 10.159 -12.264 -25.792 1.00 0.00 H new ATOM 0 HA GLN A 34 9.449 -14.134 -27.870 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.077 -13.552 -25.825 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.853 -11.937 -26.466 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.634 -12.867 -28.424 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.886 -14.493 -27.821 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.337 -13.019 -28.289 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.494 -13.104 -26.739 1.00 0.00 H new ATOM 190 N ILE A 35 9.800 -10.949 -28.572 1.00 0.00 N ATOM 191 CA ILE A 35 9.961 -9.957 -29.651 1.00 0.00 C ATOM 192 C ILE A 35 11.194 -10.303 -30.517 1.00 0.00 C ATOM 193 O ILE A 35 11.196 -10.089 -31.733 1.00 0.00 O ATOM 194 CB ILE A 35 10.102 -8.504 -29.051 1.00 0.00 C ATOM 195 CG1 ILE A 35 8.892 -8.189 -28.103 1.00 0.00 C ATOM 196 CG2 ILE A 35 10.235 -7.425 -30.163 1.00 0.00 C ATOM 197 CD1 ILE A 35 8.975 -6.862 -27.367 1.00 0.00 C ATOM 0 H ILE A 35 10.080 -10.602 -27.654 1.00 0.00 H new ATOM 0 HA ILE A 35 9.072 -9.984 -30.281 1.00 0.00 H new ATOM 0 HB ILE A 35 11.022 -8.473 -28.468 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.976 -8.202 -28.693 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.809 -8.989 -27.368 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.330 -6.440 -29.705 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.119 -7.631 -30.766 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.350 -7.446 -30.798 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.093 -6.739 -26.739 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.869 -6.847 -26.744 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.023 -6.047 -28.090 1.00 0.00 H new ATOM 209 N ASN A 36 12.233 -10.862 -29.866 1.00 0.00 N ATOM 210 CA ASN A 36 13.483 -11.264 -30.530 1.00 0.00 C ATOM 211 C ASN A 36 13.298 -12.639 -31.186 1.00 0.00 C ATOM 212 O ASN A 36 13.554 -13.693 -30.580 1.00 0.00 O ATOM 213 CB ASN A 36 14.662 -11.259 -29.517 1.00 0.00 C ATOM 214 CG ASN A 36 16.027 -11.564 -30.136 1.00 0.00 C ATOM 215 OD1 ASN A 36 16.254 -11.362 -31.326 1.00 0.00 O ATOM 216 ND2 ASN A 36 16.967 -11.998 -29.314 1.00 0.00 N ATOM 0 H ASN A 36 12.226 -11.047 -28.863 1.00 0.00 H new ATOM 0 HA ASN A 36 13.728 -10.546 -31.313 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.706 -10.283 -29.033 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.458 -11.992 -28.737 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.909 -12.174 -29.664 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.750 -12.157 -28.330 1.00 0.00 H new ATOM 223 N SER A 37 12.847 -12.605 -32.444 1.00 0.00 N ATOM 224 CA SER A 37 12.541 -13.804 -33.243 1.00 0.00 C ATOM 225 C SER A 37 13.813 -14.453 -33.838 1.00 0.00 C ATOM 226 O SER A 37 13.717 -15.329 -34.702 1.00 0.00 O ATOM 227 CB SER A 37 11.549 -13.402 -34.355 1.00 0.00 C ATOM 228 OG SER A 37 10.414 -12.718 -33.827 1.00 0.00 O ATOM 0 H SER A 37 12.681 -11.733 -32.946 1.00 0.00 H new ATOM 0 HA SER A 37 12.095 -14.558 -32.595 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.054 -12.764 -35.080 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.221 -14.293 -34.890 1.00 0.00 H new ATOM 0 HG SER A 37 9.808 -12.477 -34.558 1.00 0.00 H new ATOM 234 N THR A 38 14.996 -14.017 -33.373 1.00 0.00 N ATOM 235 CA THR A 38 16.284 -14.597 -33.772 1.00 0.00 C ATOM 236 C THR A 38 16.565 -15.885 -32.973 1.00 0.00 C ATOM 237 O THR A 38 17.146 -16.850 -33.498 1.00 0.00 O ATOM 238 CB THR A 38 17.441 -13.573 -33.542 1.00 0.00 C ATOM 239 OG1 THR A 38 17.058 -12.293 -34.066 1.00 0.00 O ATOM 240 CG2 THR A 38 18.760 -14.018 -34.202 1.00 0.00 C ATOM 0 H THR A 38 15.083 -13.249 -32.707 1.00 0.00 H new ATOM 0 HA THR A 38 16.233 -14.841 -34.833 1.00 0.00 H new ATOM 0 HB THR A 38 17.614 -13.513 -32.467 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.725 -11.728 -33.338 1.00 0.00 H new ATOM 0 HG21 THR A 38 19.532 -13.272 -34.012 1.00 0.00 H new ATOM 0 HG22 THR A 38 19.071 -14.976 -33.784 1.00 0.00 H new ATOM 0 HG23 THR A 38 18.612 -14.122 -35.277 1.00 0.00 H new ATOM 248 N ILE A 39 16.112 -15.882 -31.701 1.00 0.00 N ATOM 249 CA ILE A 39 16.368 -16.967 -30.733 1.00 0.00 C ATOM 250 C ILE A 39 15.796 -18.305 -31.241 1.00 0.00 C ATOM 251 O ILE A 39 16.460 -19.346 -31.162 1.00 0.00 O ATOM 252 CB ILE A 39 15.741 -16.630 -29.323 1.00 0.00 C ATOM 253 CG1 ILE A 39 16.249 -15.244 -28.799 1.00 0.00 C ATOM 254 CG2 ILE A 39 16.007 -17.756 -28.286 1.00 0.00 C ATOM 255 CD1 ILE A 39 17.765 -15.104 -28.713 1.00 0.00 C ATOM 0 H ILE A 39 15.554 -15.120 -31.315 1.00 0.00 H new ATOM 0 HA ILE A 39 17.449 -17.059 -30.627 1.00 0.00 H new ATOM 0 HB ILE A 39 14.661 -16.566 -29.455 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.863 -14.462 -29.453 1.00 0.00 H new ATOM 0 HG13 ILE A 39 15.826 -15.069 -27.810 1.00 0.00 H new ATOM 0 HG21 ILE A 39 15.559 -17.484 -27.330 1.00 0.00 H new ATOM 0 HG22 ILE A 39 15.567 -18.688 -28.640 1.00 0.00 H new ATOM 0 HG23 ILE A 39 17.082 -17.887 -28.159 1.00 0.00 H new ATOM 0 HD11 ILE A 39 18.018 -14.111 -28.340 1.00 0.00 H new ATOM 0 HD12 ILE A 39 18.162 -15.859 -28.034 1.00 0.00 H new ATOM 0 HD13 ILE A 39 18.200 -15.242 -29.703 1.00 0.00 H new ATOM 267 N GLU A 40 14.582 -18.224 -31.823 1.00 0.00 N ATOM 268 CA GLU A 40 13.800 -19.402 -32.230 1.00 0.00 C ATOM 269 C GLU A 40 14.536 -20.226 -33.301 1.00 0.00 C ATOM 270 O GLU A 40 14.442 -21.442 -33.305 1.00 0.00 O ATOM 271 CB GLU A 40 12.399 -18.983 -32.746 1.00 0.00 C ATOM 272 CG GLU A 40 12.408 -18.143 -34.040 1.00 0.00 C ATOM 273 CD GLU A 40 11.012 -17.932 -34.644 1.00 0.00 C ATOM 274 OE1 GLU A 40 10.256 -17.078 -34.138 1.00 0.00 O ATOM 275 OE2 GLU A 40 10.665 -18.632 -35.624 1.00 0.00 O ATOM 0 H GLU A 40 14.119 -17.338 -32.023 1.00 0.00 H new ATOM 0 HA GLU A 40 13.675 -20.030 -31.348 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.807 -19.882 -32.918 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.895 -18.414 -31.964 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.855 -17.171 -33.830 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.044 -18.633 -34.777 1.00 0.00 H new ATOM 282 N ASP A 41 15.298 -19.533 -34.175 1.00 0.00 N ATOM 283 CA ASP A 41 16.029 -20.151 -35.301 1.00 0.00 C ATOM 284 C ASP A 41 17.135 -21.085 -34.795 1.00 0.00 C ATOM 285 O ASP A 41 17.250 -22.220 -35.259 1.00 0.00 O ATOM 286 CB ASP A 41 16.637 -19.054 -36.214 1.00 0.00 C ATOM 287 CG ASP A 41 17.466 -19.602 -37.402 1.00 0.00 C ATOM 288 OD1 ASP A 41 16.879 -19.906 -38.462 1.00 0.00 O ATOM 289 OD2 ASP A 41 18.712 -19.727 -37.287 1.00 0.00 O ATOM 0 H ASP A 41 15.423 -18.522 -34.118 1.00 0.00 H new ATOM 0 HA ASP A 41 15.319 -20.743 -35.879 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.830 -18.434 -36.604 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.273 -18.406 -35.610 1.00 0.00 H new ATOM 294 N ALA A 42 17.938 -20.581 -33.840 1.00 0.00 N ATOM 295 CA ALA A 42 19.068 -21.328 -33.252 1.00 0.00 C ATOM 296 C ALA A 42 18.584 -22.610 -32.555 1.00 0.00 C ATOM 297 O ALA A 42 19.179 -23.683 -32.710 1.00 0.00 O ATOM 298 CB ALA A 42 19.843 -20.427 -32.274 1.00 0.00 C ATOM 0 H ALA A 42 17.823 -19.644 -33.453 1.00 0.00 H new ATOM 0 HA ALA A 42 19.740 -21.628 -34.056 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.675 -20.986 -31.845 1.00 0.00 H new ATOM 0 HB2 ALA A 42 20.227 -19.557 -32.807 1.00 0.00 H new ATOM 0 HB3 ALA A 42 19.177 -20.099 -31.476 1.00 0.00 H new ATOM 304 N ILE A 43 17.467 -22.481 -31.827 1.00 0.00 N ATOM 305 CA ILE A 43 16.873 -23.587 -31.059 1.00 0.00 C ATOM 306 C ILE A 43 16.160 -24.594 -32.007 1.00 0.00 C ATOM 307 O ILE A 43 16.200 -25.810 -31.783 1.00 0.00 O ATOM 308 CB ILE A 43 15.863 -23.027 -29.980 1.00 0.00 C ATOM 309 CG1 ILE A 43 16.523 -21.897 -29.113 1.00 0.00 C ATOM 310 CG2 ILE A 43 15.319 -24.160 -29.075 1.00 0.00 C ATOM 311 CD1 ILE A 43 17.744 -22.320 -28.306 1.00 0.00 C ATOM 0 H ILE A 43 16.948 -21.606 -31.753 1.00 0.00 H new ATOM 0 HA ILE A 43 17.673 -24.116 -30.542 1.00 0.00 H new ATOM 0 HB ILE A 43 15.022 -22.592 -30.519 1.00 0.00 H new ATOM 0 HG12 ILE A 43 16.811 -21.078 -29.772 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.773 -21.505 -28.426 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.627 -23.741 -28.344 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.798 -24.896 -29.687 1.00 0.00 H new ATOM 0 HG23 ILE A 43 16.148 -24.641 -28.556 1.00 0.00 H new ATOM 0 HD11 ILE A 43 18.122 -21.466 -27.744 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.465 -23.115 -27.614 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.519 -22.682 -28.982 1.00 0.00 H new ATOM 323 N ALA A 44 15.550 -24.068 -33.092 1.00 0.00 N ATOM 324 CA ALA A 44 14.761 -24.872 -34.046 1.00 0.00 C ATOM 325 C ALA A 44 15.671 -25.773 -34.890 1.00 0.00 C ATOM 326 O ALA A 44 15.457 -26.984 -34.972 1.00 0.00 O ATOM 327 CB ALA A 44 13.899 -23.969 -34.946 1.00 0.00 C ATOM 0 H ALA A 44 15.592 -23.077 -33.329 1.00 0.00 H new ATOM 0 HA ALA A 44 14.093 -25.512 -33.470 1.00 0.00 H new ATOM 0 HB1 ALA A 44 13.328 -24.586 -35.640 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.214 -23.387 -34.329 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.544 -23.293 -35.508 1.00 0.00 H new ATOM 333 N ARG A 45 16.713 -25.169 -35.484 1.00 0.00 N ATOM 334 CA ARG A 45 17.664 -25.880 -36.365 1.00 0.00 C ATOM 335 C ARG A 45 18.417 -26.983 -35.591 1.00 0.00 C ATOM 336 O ARG A 45 18.818 -27.994 -36.170 1.00 0.00 O ATOM 337 CB ARG A 45 18.663 -24.880 -37.014 1.00 0.00 C ATOM 338 CG ARG A 45 19.702 -24.273 -36.047 1.00 0.00 C ATOM 339 CD ARG A 45 20.598 -23.216 -36.711 1.00 0.00 C ATOM 340 NE ARG A 45 21.711 -22.808 -35.833 1.00 0.00 N ATOM 341 CZ ARG A 45 22.024 -21.546 -35.490 1.00 0.00 C ATOM 342 NH1 ARG A 45 21.252 -20.524 -35.850 1.00 0.00 N ATOM 343 NH2 ARG A 45 23.100 -21.316 -34.756 1.00 0.00 N ATOM 0 H ARG A 45 16.923 -24.177 -35.370 1.00 0.00 H new ATOM 0 HA ARG A 45 17.094 -26.359 -37.161 1.00 0.00 H new ATOM 0 HB2 ARG A 45 19.193 -25.390 -37.819 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.096 -24.068 -37.470 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.183 -23.821 -35.202 1.00 0.00 H new ATOM 0 HG3 ARG A 45 20.327 -25.071 -35.647 1.00 0.00 H new ATOM 0 HD2 ARG A 45 20.998 -23.614 -37.644 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.999 -22.342 -36.968 1.00 0.00 H new ATOM 0 HE ARG A 45 22.297 -23.551 -35.451 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.406 -20.691 -36.395 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.506 -19.574 -35.580 1.00 0.00 H new ATOM 0 HH21 ARG A 45 23.687 -22.094 -34.454 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.343 -20.361 -34.492 1.00 0.00 H new ATOM 357 N ALA A 46 18.567 -26.773 -34.266 1.00 0.00 N ATOM 358 CA ALA A 46 19.235 -27.720 -33.372 1.00 0.00 C ATOM 359 C ALA A 46 18.285 -28.873 -32.987 1.00 0.00 C ATOM 360 O ALA A 46 18.360 -29.958 -33.574 1.00 0.00 O ATOM 361 CB ALA A 46 19.768 -26.982 -32.129 1.00 0.00 C ATOM 0 H ALA A 46 18.224 -25.937 -33.793 1.00 0.00 H new ATOM 0 HA ALA A 46 20.084 -28.163 -33.893 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.264 -27.693 -31.468 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.480 -26.216 -32.438 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.938 -26.513 -31.600 1.00 0.00 H new ATOM 367 N ARG A 47 17.347 -28.613 -32.046 1.00 0.00 N ATOM 368 CA ARG A 47 16.502 -29.669 -31.419 1.00 0.00 C ATOM 369 C ARG A 47 15.071 -29.740 -32.000 1.00 0.00 C ATOM 370 O ARG A 47 14.365 -30.726 -31.762 1.00 0.00 O ATOM 371 CB ARG A 47 16.482 -29.485 -29.858 1.00 0.00 C ATOM 372 CG ARG A 47 16.117 -28.066 -29.315 1.00 0.00 C ATOM 373 CD ARG A 47 14.613 -27.726 -29.352 1.00 0.00 C ATOM 374 NE ARG A 47 13.802 -28.702 -28.606 1.00 0.00 N ATOM 375 CZ ARG A 47 12.550 -28.502 -28.168 1.00 0.00 C ATOM 376 NH1 ARG A 47 11.926 -27.340 -28.342 1.00 0.00 N ATOM 377 NH2 ARG A 47 11.926 -29.476 -27.532 1.00 0.00 N ATOM 0 H ARG A 47 17.152 -27.674 -31.699 1.00 0.00 H new ATOM 0 HA ARG A 47 16.959 -30.628 -31.661 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.772 -30.200 -29.442 1.00 0.00 H new ATOM 0 HB3 ARG A 47 17.466 -29.752 -29.473 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.468 -27.985 -28.286 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.658 -27.320 -29.897 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.457 -26.732 -28.934 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.276 -27.692 -30.388 1.00 0.00 H new ATOM 0 HE ARG A 47 14.228 -29.607 -28.405 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.400 -26.573 -28.819 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.974 -27.216 -27.998 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.396 -30.368 -27.379 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.974 -29.336 -27.194 1.00 0.00 H new ATOM 391 N GLY A 48 14.652 -28.704 -32.745 1.00 0.00 N ATOM 392 CA GLY A 48 13.276 -28.612 -33.257 1.00 0.00 C ATOM 393 C GLY A 48 12.353 -27.951 -32.238 1.00 0.00 C ATOM 394 O GLY A 48 11.796 -28.629 -31.371 1.00 0.00 O ATOM 0 H GLY A 48 15.248 -27.918 -33.006 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.268 -28.040 -34.185 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.906 -29.609 -33.494 1.00 0.00 H new ATOM 398 N GLU A 49 12.212 -26.621 -32.336 1.00 0.00 N ATOM 399 CA GLU A 49 11.455 -25.807 -31.368 1.00 0.00 C ATOM 400 C GLU A 49 10.049 -25.510 -31.907 1.00 0.00 C ATOM 401 O GLU A 49 9.047 -25.993 -31.355 1.00 0.00 O ATOM 402 CB GLU A 49 12.211 -24.477 -31.074 1.00 0.00 C ATOM 403 CG GLU A 49 11.490 -23.507 -30.109 1.00 0.00 C ATOM 404 CD GLU A 49 11.273 -24.079 -28.693 1.00 0.00 C ATOM 405 OE1 GLU A 49 10.228 -24.725 -28.439 1.00 0.00 O ATOM 406 OE2 GLU A 49 12.144 -23.885 -27.827 1.00 0.00 O ATOM 0 H GLU A 49 12.622 -26.074 -33.093 1.00 0.00 H new ATOM 0 HA GLU A 49 11.361 -26.369 -30.439 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.189 -24.718 -30.657 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.386 -23.961 -32.018 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.070 -22.587 -30.034 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.523 -23.240 -30.534 1.00 0.00 H new ATOM 413 N ILE A 50 10.009 -24.724 -33.006 1.00 0.00 N ATOM 414 CA ILE A 50 8.761 -24.211 -33.597 1.00 0.00 C ATOM 415 C ILE A 50 7.874 -25.372 -34.097 1.00 0.00 C ATOM 416 O ILE A 50 8.345 -26.207 -34.886 1.00 0.00 O ATOM 417 CB ILE A 50 9.048 -23.191 -34.770 1.00 0.00 C ATOM 418 CG1 ILE A 50 9.856 -21.960 -34.241 1.00 0.00 C ATOM 419 CG2 ILE A 50 7.736 -22.743 -35.486 1.00 0.00 C ATOM 420 CD1 ILE A 50 9.155 -21.150 -33.147 1.00 0.00 C ATOM 0 H ILE A 50 10.847 -24.429 -33.507 1.00 0.00 H new ATOM 0 HA ILE A 50 8.225 -23.675 -32.814 1.00 0.00 H new ATOM 0 HB ILE A 50 9.655 -23.705 -35.515 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.813 -22.311 -33.856 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.073 -21.299 -35.080 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.979 -22.043 -36.285 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.235 -23.615 -35.907 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.076 -22.258 -34.766 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.792 -20.319 -32.845 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.210 -20.763 -33.529 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.963 -21.791 -32.287 1.00 0.00 H new ATOM 432 N PRO A 51 6.588 -25.458 -33.619 1.00 0.00 N ATOM 433 CA PRO A 51 5.642 -26.508 -34.049 1.00 0.00 C ATOM 434 C PRO A 51 5.042 -26.207 -35.441 1.00 0.00 C ATOM 435 O PRO A 51 5.261 -25.132 -36.020 1.00 0.00 O ATOM 436 CB PRO A 51 4.567 -26.459 -32.936 1.00 0.00 C ATOM 437 CG PRO A 51 4.517 -25.012 -32.540 1.00 0.00 C ATOM 438 CD PRO A 51 5.955 -24.528 -32.623 1.00 0.00 C ATOM 0 HA PRO A 51 6.105 -27.488 -34.163 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.600 -26.806 -33.300 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.837 -27.094 -32.092 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.870 -24.443 -33.208 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.119 -24.893 -31.532 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.010 -23.491 -32.953 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.452 -24.581 -31.654 1.00 0.00 H new ATOM 446 N ARG A 52 4.260 -27.167 -35.951 1.00 0.00 N ATOM 447 CA ARG A 52 3.565 -27.060 -37.253 1.00 0.00 C ATOM 448 C ARG A 52 2.328 -26.136 -37.148 1.00 0.00 C ATOM 449 O ARG A 52 1.734 -25.753 -38.164 1.00 0.00 O ATOM 450 CB ARG A 52 3.175 -28.485 -37.732 1.00 0.00 C ATOM 451 CG ARG A 52 4.393 -29.416 -37.924 1.00 0.00 C ATOM 452 CD ARG A 52 4.012 -30.861 -38.264 1.00 0.00 C ATOM 453 NE ARG A 52 5.201 -31.682 -38.551 1.00 0.00 N ATOM 454 CZ ARG A 52 5.251 -33.019 -38.509 1.00 0.00 C ATOM 455 NH1 ARG A 52 4.187 -33.730 -38.153 1.00 0.00 N ATOM 456 NH2 ARG A 52 6.373 -33.641 -38.838 1.00 0.00 N ATOM 0 H ARG A 52 4.086 -28.050 -35.472 1.00 0.00 H new ATOM 0 HA ARG A 52 4.232 -26.609 -37.987 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.495 -28.932 -37.007 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.632 -28.409 -38.674 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.022 -29.018 -38.720 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.991 -29.411 -37.013 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.460 -31.298 -37.432 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.347 -30.869 -39.127 1.00 0.00 H new ATOM 0 HE ARG A 52 6.058 -31.190 -38.803 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.317 -33.258 -37.907 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.240 -34.748 -38.126 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.191 -33.101 -39.121 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.419 -34.660 -38.808 1.00 0.00 H new ATOM 470 N GLY A 53 1.954 -25.811 -35.901 1.00 0.00 N ATOM 471 CA GLY A 53 0.895 -24.865 -35.605 1.00 0.00 C ATOM 472 C GLY A 53 0.874 -24.542 -34.126 1.00 0.00 C ATOM 473 O GLY A 53 0.861 -25.457 -33.299 1.00 0.00 O ATOM 0 H GLY A 53 2.390 -26.208 -35.069 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.043 -23.952 -36.181 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.067 -25.280 -35.907 1.00 0.00 H new ATOM 477 N GLU A 54 0.923 -23.246 -33.786 1.00 0.00 N ATOM 478 CA GLU A 54 0.768 -22.769 -32.392 1.00 0.00 C ATOM 479 C GLU A 54 -0.671 -23.036 -31.900 1.00 0.00 C ATOM 480 O GLU A 54 -0.917 -23.201 -30.698 1.00 0.00 O ATOM 481 CB GLU A 54 1.084 -21.253 -32.313 1.00 0.00 C ATOM 482 CG GLU A 54 2.511 -20.866 -32.760 1.00 0.00 C ATOM 483 CD GLU A 54 2.748 -19.344 -32.752 1.00 0.00 C ATOM 484 OE1 GLU A 54 3.116 -18.784 -31.696 1.00 0.00 O ATOM 485 OE2 GLU A 54 2.546 -18.696 -33.804 1.00 0.00 O ATOM 0 H GLU A 54 1.070 -22.497 -34.462 1.00 0.00 H new ATOM 0 HA GLU A 54 1.466 -23.309 -31.752 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.366 -20.714 -32.931 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.936 -20.918 -31.286 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.235 -21.345 -32.101 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.689 -21.251 -33.764 1.00 0.00 H new ATOM 492 N SER A 55 -1.601 -23.052 -32.875 1.00 0.00 N ATOM 493 CA SER A 55 -3.014 -23.373 -32.685 1.00 0.00 C ATOM 494 C SER A 55 -3.190 -24.773 -32.066 1.00 0.00 C ATOM 495 O SER A 55 -2.845 -25.782 -32.690 1.00 0.00 O ATOM 496 CB SER A 55 -3.713 -23.297 -34.054 1.00 0.00 C ATOM 497 OG SER A 55 -3.622 -21.990 -34.605 1.00 0.00 O ATOM 0 H SER A 55 -1.374 -22.834 -33.845 1.00 0.00 H new ATOM 0 HA SER A 55 -3.460 -22.658 -31.994 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.260 -24.015 -34.737 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.761 -23.577 -33.946 1.00 0.00 H new ATOM 0 HG SER A 55 -3.992 -21.991 -35.512 1.00 0.00 H new ATOM 503 N LEU A 56 -3.708 -24.802 -30.830 1.00 0.00 N ATOM 504 CA LEU A 56 -3.940 -26.045 -30.058 1.00 0.00 C ATOM 505 C LEU A 56 -5.227 -26.769 -30.533 1.00 0.00 C ATOM 506 O LEU A 56 -5.981 -26.232 -31.350 1.00 0.00 O ATOM 507 CB LEU A 56 -3.969 -25.716 -28.515 1.00 0.00 C ATOM 508 CG LEU A 56 -4.739 -24.414 -28.079 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.252 -24.514 -28.307 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.434 -24.010 -26.618 1.00 0.00 C ATOM 0 H LEU A 56 -3.983 -23.958 -30.327 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.117 -26.736 -30.237 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.415 -26.564 -27.996 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.940 -25.634 -28.166 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.363 -23.624 -28.729 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.730 -23.588 -27.988 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.450 -24.679 -29.366 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.653 -25.347 -27.729 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.989 -23.106 -26.367 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.731 -24.817 -25.948 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.366 -23.822 -26.508 1.00 0.00 H new ATOM 522 N ASP A 57 -5.467 -27.992 -30.003 1.00 0.00 N ATOM 523 CA ASP A 57 -6.679 -28.805 -30.312 1.00 0.00 C ATOM 524 C ASP A 57 -7.612 -28.922 -29.080 1.00 0.00 C ATOM 525 O ASP A 57 -8.651 -29.602 -29.136 1.00 0.00 O ATOM 526 CB ASP A 57 -6.275 -30.217 -30.824 1.00 0.00 C ATOM 527 CG ASP A 57 -5.518 -31.062 -29.785 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.288 -30.874 -29.639 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.144 -31.904 -29.111 1.00 0.00 O ATOM 0 H ASP A 57 -4.830 -28.447 -29.349 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.230 -28.292 -31.100 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.174 -30.753 -31.129 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.652 -30.107 -31.712 1.00 0.00 H new ATOM 534 N GLU A 58 -7.278 -28.183 -28.003 1.00 0.00 N ATOM 535 CA GLU A 58 -7.969 -28.258 -26.689 1.00 0.00 C ATOM 536 C GLU A 58 -8.157 -26.833 -26.128 1.00 0.00 C ATOM 537 O GLU A 58 -7.189 -26.192 -25.706 1.00 0.00 O ATOM 538 CB GLU A 58 -7.171 -29.123 -25.667 1.00 0.00 C ATOM 539 CG GLU A 58 -7.085 -30.620 -26.007 1.00 0.00 C ATOM 540 CD GLU A 58 -6.211 -31.406 -25.017 1.00 0.00 C ATOM 541 OE1 GLU A 58 -6.734 -31.845 -23.968 1.00 0.00 O ATOM 542 OE2 GLU A 58 -4.998 -31.566 -25.267 1.00 0.00 O ATOM 0 H GLU A 58 -6.513 -27.508 -28.016 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.938 -28.733 -26.842 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.159 -28.725 -25.590 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.632 -29.015 -24.685 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.089 -31.044 -26.015 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.682 -30.737 -27.013 1.00 0.00 H new ATOM 549 N CYS A 59 -9.407 -26.355 -26.190 1.00 0.00 N ATOM 550 CA CYS A 59 -9.848 -25.051 -25.648 1.00 0.00 C ATOM 551 C CYS A 59 -9.417 -24.830 -24.188 1.00 0.00 C ATOM 552 O CYS A 59 -9.779 -25.607 -23.321 1.00 0.00 O ATOM 553 CB CYS A 59 -11.379 -24.998 -25.760 1.00 0.00 C ATOM 554 SG CYS A 59 -12.179 -23.522 -25.066 1.00 0.00 S ATOM 0 H CYS A 59 -10.166 -26.876 -26.630 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.375 -24.256 -26.224 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.649 -25.072 -26.813 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.790 -25.877 -25.264 1.00 0.00 H new ATOM 559 N GLU A 60 -8.670 -23.737 -23.930 1.00 0.00 N ATOM 560 CA GLU A 60 -8.164 -23.398 -22.573 1.00 0.00 C ATOM 561 C GLU A 60 -9.309 -23.114 -21.554 1.00 0.00 C ATOM 562 O GLU A 60 -9.079 -23.096 -20.348 1.00 0.00 O ATOM 563 CB GLU A 60 -7.200 -22.179 -22.653 1.00 0.00 C ATOM 564 CG GLU A 60 -7.810 -20.925 -23.329 1.00 0.00 C ATOM 565 CD GLU A 60 -7.006 -19.626 -23.112 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.782 -19.620 -23.349 1.00 0.00 O ATOM 567 OE2 GLU A 60 -7.592 -18.610 -22.680 1.00 0.00 O ATOM 0 H GLU A 60 -8.399 -23.065 -24.648 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.625 -24.271 -22.206 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.883 -21.915 -21.644 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.305 -22.474 -23.202 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.895 -21.110 -24.400 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.821 -20.779 -22.950 1.00 0.00 H new ATOM 574 N GLU A 61 -10.536 -22.908 -22.070 1.00 0.00 N ATOM 575 CA GLU A 61 -11.724 -22.572 -21.261 1.00 0.00 C ATOM 576 C GLU A 61 -12.414 -23.846 -20.766 1.00 0.00 C ATOM 577 O GLU A 61 -12.556 -24.077 -19.564 1.00 0.00 O ATOM 578 CB GLU A 61 -12.730 -21.773 -22.132 1.00 0.00 C ATOM 579 CG GLU A 61 -12.148 -20.518 -22.803 1.00 0.00 C ATOM 580 CD GLU A 61 -12.287 -19.222 -21.979 1.00 0.00 C ATOM 581 OE1 GLU A 61 -11.555 -19.053 -20.992 1.00 0.00 O ATOM 582 OE2 GLU A 61 -13.147 -18.376 -22.322 1.00 0.00 O ATOM 0 H GLU A 61 -10.732 -22.971 -23.069 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.404 -21.978 -20.405 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.123 -22.433 -22.906 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.573 -21.476 -21.508 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.091 -20.690 -23.009 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.641 -20.375 -23.765 1.00 0.00 H new ATOM 589 N CYS A 62 -12.831 -24.675 -21.740 1.00 0.00 N ATOM 590 CA CYS A 62 -13.768 -25.788 -21.498 1.00 0.00 C ATOM 591 C CYS A 62 -13.262 -27.111 -22.109 1.00 0.00 C ATOM 592 O CYS A 62 -14.031 -28.066 -22.245 1.00 0.00 O ATOM 593 CB CYS A 62 -15.167 -25.404 -22.056 1.00 0.00 C ATOM 594 SG CYS A 62 -15.323 -25.397 -23.883 1.00 0.00 S ATOM 0 H CYS A 62 -12.530 -24.594 -22.711 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.842 -25.956 -20.424 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.902 -26.099 -21.650 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.426 -24.413 -21.684 1.00 0.00 H new ATOM 599 N GLY A 63 -11.953 -27.147 -22.463 1.00 0.00 N ATOM 600 CA GLY A 63 -11.284 -28.324 -23.065 1.00 0.00 C ATOM 601 C GLY A 63 -11.941 -28.859 -24.331 1.00 0.00 C ATOM 602 O GLY A 63 -11.678 -29.990 -24.738 1.00 0.00 O ATOM 0 H GLY A 63 -11.328 -26.351 -22.337 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.252 -28.059 -23.293 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.252 -29.123 -22.325 1.00 0.00 H new ATOM 606 N ALA A 64 -12.773 -28.015 -24.959 1.00 0.00 N ATOM 607 CA ALA A 64 -13.566 -28.372 -26.145 1.00 0.00 C ATOM 608 C ALA A 64 -12.672 -28.622 -27.377 1.00 0.00 C ATOM 609 O ALA A 64 -11.652 -27.934 -27.533 1.00 0.00 O ATOM 610 CB ALA A 64 -14.566 -27.249 -26.439 1.00 0.00 C ATOM 0 H ALA A 64 -12.916 -27.052 -24.653 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.098 -29.300 -25.935 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.157 -27.509 -27.318 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.228 -27.118 -25.583 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.026 -26.321 -26.626 1.00 0.00 H new ATOM 616 N PRO A 65 -13.038 -29.604 -28.267 1.00 0.00 N ATOM 617 CA PRO A 65 -12.272 -29.893 -29.496 1.00 0.00 C ATOM 618 C PRO A 65 -12.241 -28.662 -30.425 1.00 0.00 C ATOM 619 O PRO A 65 -13.266 -28.293 -31.025 1.00 0.00 O ATOM 620 CB PRO A 65 -13.025 -31.094 -30.148 1.00 0.00 C ATOM 621 CG PRO A 65 -13.859 -31.678 -29.042 1.00 0.00 C ATOM 622 CD PRO A 65 -14.214 -30.515 -28.140 1.00 0.00 C ATOM 0 HA PRO A 65 -11.227 -30.131 -29.296 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.648 -30.765 -30.980 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.325 -31.830 -30.545 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.756 -32.155 -29.438 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.306 -32.442 -28.496 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.136 -30.027 -28.458 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.363 -30.837 -27.109 1.00 0.00 H new ATOM 630 N ILE A 66 -11.069 -28.003 -30.462 1.00 0.00 N ATOM 631 CA ILE A 66 -10.810 -26.842 -31.324 1.00 0.00 C ATOM 632 C ILE A 66 -10.960 -27.245 -32.804 1.00 0.00 C ATOM 633 O ILE A 66 -10.229 -28.131 -33.266 1.00 0.00 O ATOM 634 CB ILE A 66 -9.359 -26.286 -31.067 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.186 -25.866 -29.589 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.013 -25.111 -32.013 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.802 -24.549 -29.228 1.00 0.00 C ATOM 0 H ILE A 66 -10.269 -28.266 -29.887 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.534 -26.061 -31.089 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.660 -27.094 -31.283 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.620 -26.639 -28.954 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.121 -25.827 -29.361 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.004 -24.758 -31.801 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.070 -25.448 -33.048 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.722 -24.298 -31.857 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.627 -24.343 -28.172 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.353 -23.760 -29.831 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.875 -24.585 -29.418 1.00 0.00 H new ATOM 649 N PRO A 67 -11.926 -26.627 -33.558 1.00 0.00 N ATOM 650 CA PRO A 67 -12.129 -26.935 -34.979 1.00 0.00 C ATOM 651 C PRO A 67 -10.942 -26.429 -35.820 1.00 0.00 C ATOM 652 O PRO A 67 -10.355 -25.372 -35.516 1.00 0.00 O ATOM 653 CB PRO A 67 -13.457 -26.214 -35.329 1.00 0.00 C ATOM 654 CG PRO A 67 -13.550 -25.090 -34.346 1.00 0.00 C ATOM 655 CD PRO A 67 -12.872 -25.576 -33.084 1.00 0.00 C ATOM 0 HA PRO A 67 -12.185 -28.003 -35.188 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.448 -25.844 -36.354 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.309 -26.888 -35.241 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.061 -24.195 -34.731 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.590 -24.827 -34.153 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.347 -24.767 -32.577 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.594 -25.981 -32.375 1.00 0.00 H new ATOM 663 N GLN A 68 -10.596 -27.199 -36.868 1.00 0.00 N ATOM 664 CA GLN A 68 -9.462 -26.896 -37.763 1.00 0.00 C ATOM 665 C GLN A 68 -9.644 -25.539 -38.467 1.00 0.00 C ATOM 666 O GLN A 68 -8.664 -24.937 -38.901 1.00 0.00 O ATOM 667 CB GLN A 68 -9.264 -28.042 -38.800 1.00 0.00 C ATOM 668 CG GLN A 68 -10.433 -28.260 -39.807 1.00 0.00 C ATOM 669 CD GLN A 68 -10.160 -27.790 -41.250 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.305 -26.789 -41.443 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.715 -28.346 -42.193 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.096 -28.052 -37.119 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.563 -26.826 -37.151 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.355 -27.839 -39.367 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.100 -28.973 -38.257 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.678 -29.322 -39.829 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.314 -27.738 -39.433 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.367 -29.111 -42.022 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.524 -28.043 -43.148 1.00 0.00 H new ATOM 680 N ALA A 69 -10.911 -25.074 -38.549 1.00 0.00 N ATOM 681 CA ALA A 69 -11.274 -23.768 -39.120 1.00 0.00 C ATOM 682 C ALA A 69 -10.635 -22.634 -38.301 1.00 0.00 C ATOM 683 O ALA A 69 -10.054 -21.715 -38.861 1.00 0.00 O ATOM 684 CB ALA A 69 -12.809 -23.610 -39.178 1.00 0.00 C ATOM 0 H ALA A 69 -11.715 -25.605 -38.215 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.891 -23.712 -40.139 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.059 -22.638 -39.603 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.233 -24.398 -39.801 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.221 -23.682 -38.171 1.00 0.00 H new ATOM 690 N ARG A 70 -10.716 -22.749 -36.962 1.00 0.00 N ATOM 691 CA ARG A 70 -10.101 -21.778 -36.034 1.00 0.00 C ATOM 692 C ARG A 70 -8.573 -21.886 -36.058 1.00 0.00 C ATOM 693 O ARG A 70 -7.882 -20.896 -35.868 1.00 0.00 O ATOM 694 CB ARG A 70 -10.637 -21.973 -34.591 1.00 0.00 C ATOM 695 CG ARG A 70 -12.152 -21.718 -34.411 1.00 0.00 C ATOM 696 CD ARG A 70 -12.602 -20.276 -34.758 1.00 0.00 C ATOM 697 NE ARG A 70 -12.666 -20.021 -36.216 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.767 -18.814 -36.797 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.845 -17.704 -36.063 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.790 -18.720 -38.118 1.00 0.00 N ATOM 0 H ARG A 70 -11.206 -23.512 -36.494 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.377 -20.778 -36.369 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.416 -22.992 -34.273 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.091 -21.306 -33.924 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.703 -22.419 -35.038 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.424 -21.932 -33.378 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.583 -20.093 -34.320 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.912 -19.567 -34.301 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.630 -20.833 -36.833 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.828 -17.764 -35.045 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.921 -16.795 -36.519 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.731 -19.562 -38.690 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.867 -17.805 -38.563 1.00 0.00 H new ATOM 714 N ARG A 71 -8.067 -23.104 -36.286 1.00 0.00 N ATOM 715 CA ARG A 71 -6.621 -23.375 -36.287 1.00 0.00 C ATOM 716 C ARG A 71 -5.925 -22.772 -37.526 1.00 0.00 C ATOM 717 O ARG A 71 -4.790 -22.284 -37.422 1.00 0.00 O ATOM 718 CB ARG A 71 -6.357 -24.898 -36.179 1.00 0.00 C ATOM 719 CG ARG A 71 -7.008 -25.546 -34.938 1.00 0.00 C ATOM 720 CD ARG A 71 -6.667 -27.035 -34.752 1.00 0.00 C ATOM 721 NE ARG A 71 -5.268 -27.239 -34.331 1.00 0.00 N ATOM 722 CZ ARG A 71 -4.728 -28.422 -33.991 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.425 -29.552 -34.100 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.486 -28.469 -33.546 1.00 0.00 N ATOM 0 H ARG A 71 -8.642 -23.925 -36.474 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.189 -22.888 -35.413 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.734 -25.389 -37.076 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.281 -25.072 -36.148 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.693 -24.999 -34.049 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.090 -25.439 -35.012 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.335 -27.469 -34.008 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.844 -27.566 -35.687 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.663 -26.418 -34.295 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.384 -29.528 -34.446 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.999 -30.441 -33.837 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.942 -27.611 -33.462 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.071 -29.364 -33.286 1.00 0.00 H new ATOM 738 N GLU A 72 -6.605 -22.798 -38.694 1.00 0.00 N ATOM 739 CA GLU A 72 -6.032 -22.275 -39.951 1.00 0.00 C ATOM 740 C GLU A 72 -6.306 -20.766 -40.117 1.00 0.00 C ATOM 741 O GLU A 72 -5.446 -20.034 -40.625 1.00 0.00 O ATOM 742 CB GLU A 72 -6.501 -23.127 -41.175 1.00 0.00 C ATOM 743 CG GLU A 72 -8.026 -23.204 -41.459 1.00 0.00 C ATOM 744 CD GLU A 72 -8.595 -22.019 -42.258 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.096 -21.752 -43.376 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.546 -21.359 -41.791 1.00 0.00 O ATOM 0 H GLU A 72 -7.548 -23.175 -38.791 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.948 -22.374 -39.901 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.014 -22.731 -42.066 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.134 -24.144 -41.036 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.234 -24.125 -42.004 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.555 -23.270 -40.508 1.00 0.00 H new ATOM 753 N ALA A 73 -7.497 -20.308 -39.672 1.00 0.00 N ATOM 754 CA ALA A 73 -7.884 -18.879 -39.721 1.00 0.00 C ATOM 755 C ALA A 73 -7.084 -18.065 -38.705 1.00 0.00 C ATOM 756 O ALA A 73 -6.491 -17.037 -39.047 1.00 0.00 O ATOM 757 CB ALA A 73 -9.392 -18.703 -39.465 1.00 0.00 C ATOM 0 H ALA A 73 -8.213 -20.913 -39.271 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.659 -18.511 -40.722 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.647 -17.644 -39.507 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.956 -19.242 -40.226 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.642 -19.098 -38.480 1.00 0.00 H new ATOM 763 N ILE A 74 -7.076 -18.545 -37.453 1.00 0.00 N ATOM 764 CA ILE A 74 -6.424 -17.856 -36.329 1.00 0.00 C ATOM 765 C ILE A 74 -5.083 -18.560 -36.013 1.00 0.00 C ATOM 766 O ILE A 74 -5.096 -19.680 -35.484 1.00 0.00 O ATOM 767 CB ILE A 74 -7.340 -17.852 -35.039 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.796 -17.388 -35.393 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.724 -16.972 -33.914 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.799 -17.465 -34.248 1.00 0.00 C ATOM 0 H ILE A 74 -7.522 -19.424 -37.190 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.249 -16.819 -36.616 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.396 -18.873 -34.661 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.755 -16.359 -35.750 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.164 -17.998 -36.218 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.376 -16.989 -33.041 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.743 -17.363 -33.642 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.620 -15.947 -34.270 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.774 -17.123 -34.595 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.878 -18.496 -33.902 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.463 -16.832 -33.427 1.00 0.00 H new ATOM 782 N PRO A 75 -3.910 -17.938 -36.368 1.00 0.00 N ATOM 783 CA PRO A 75 -2.587 -18.477 -35.998 1.00 0.00 C ATOM 784 C PRO A 75 -2.359 -18.366 -34.470 1.00 0.00 C ATOM 785 O PRO A 75 -2.235 -17.260 -33.920 1.00 0.00 O ATOM 786 CB PRO A 75 -1.599 -17.606 -36.819 1.00 0.00 C ATOM 787 CG PRO A 75 -2.328 -16.315 -37.046 1.00 0.00 C ATOM 788 CD PRO A 75 -3.792 -16.682 -37.166 1.00 0.00 C ATOM 0 HA PRO A 75 -2.467 -19.538 -36.218 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.668 -17.445 -36.276 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.339 -18.085 -37.763 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.165 -15.624 -36.219 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.974 -15.820 -37.950 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.435 -15.895 -36.772 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.081 -16.839 -38.205 1.00 0.00 H new ATOM 796 N GLY A 76 -2.355 -19.523 -33.802 1.00 0.00 N ATOM 797 CA GLY A 76 -2.228 -19.603 -32.349 1.00 0.00 C ATOM 798 C GLY A 76 -3.558 -19.417 -31.634 1.00 0.00 C ATOM 799 O GLY A 76 -3.640 -18.649 -30.675 1.00 0.00 O ATOM 0 H GLY A 76 -2.440 -20.432 -34.257 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.806 -20.571 -32.078 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.526 -18.842 -32.007 1.00 0.00 H new ATOM 803 N VAL A 77 -4.612 -20.119 -32.103 1.00 0.00 N ATOM 804 CA VAL A 77 -5.937 -20.081 -31.453 1.00 0.00 C ATOM 805 C VAL A 77 -5.881 -20.850 -30.116 1.00 0.00 C ATOM 806 O VAL A 77 -5.203 -21.880 -30.014 1.00 0.00 O ATOM 807 CB VAL A 77 -7.081 -20.662 -32.372 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.864 -22.152 -32.708 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.475 -20.432 -31.746 1.00 0.00 C ATOM 0 H VAL A 77 -4.570 -20.717 -32.928 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.182 -19.035 -31.270 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.036 -20.113 -33.313 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.678 -22.504 -33.342 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.916 -22.272 -33.233 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.844 -22.734 -31.786 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.241 -20.843 -32.403 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.525 -20.927 -30.776 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.644 -19.363 -31.617 1.00 0.00 H new ATOM 819 N ARG A 78 -6.572 -20.318 -29.095 1.00 0.00 N ATOM 820 CA ARG A 78 -6.605 -20.891 -27.734 1.00 0.00 C ATOM 821 C ARG A 78 -8.038 -21.347 -27.384 1.00 0.00 C ATOM 822 O ARG A 78 -8.248 -22.203 -26.519 1.00 0.00 O ATOM 823 CB ARG A 78 -6.110 -19.849 -26.675 1.00 0.00 C ATOM 824 CG ARG A 78 -4.876 -18.986 -27.081 1.00 0.00 C ATOM 825 CD ARG A 78 -5.267 -17.687 -27.820 1.00 0.00 C ATOM 826 NE ARG A 78 -4.098 -16.968 -28.355 1.00 0.00 N ATOM 827 CZ ARG A 78 -3.414 -15.996 -27.732 1.00 0.00 C ATOM 828 NH1 ARG A 78 -3.718 -15.622 -26.492 1.00 0.00 N ATOM 829 NH2 ARG A 78 -2.410 -15.408 -28.359 1.00 0.00 N ATOM 0 H ARG A 78 -7.130 -19.469 -29.189 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.936 -21.751 -27.713 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.936 -19.177 -26.444 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.867 -20.383 -25.757 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.307 -18.732 -26.187 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.220 -19.578 -27.719 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.946 -17.928 -28.638 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.810 -17.034 -27.137 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.778 -17.234 -29.286 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.484 -16.077 -25.996 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.185 -14.881 -26.038 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.162 -15.694 -29.306 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.883 -14.668 -27.896 1.00 0.00 H new ATOM 843 N LEU A 79 -9.019 -20.773 -28.091 1.00 0.00 N ATOM 844 CA LEU A 79 -10.443 -20.846 -27.734 1.00 0.00 C ATOM 845 C LEU A 79 -11.241 -21.574 -28.820 1.00 0.00 C ATOM 846 O LEU A 79 -11.036 -21.334 -30.014 1.00 0.00 O ATOM 847 CB LEU A 79 -10.983 -19.406 -27.580 1.00 0.00 C ATOM 848 CG LEU A 79 -10.183 -18.493 -26.614 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.574 -17.016 -26.782 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.359 -18.954 -25.169 1.00 0.00 C ATOM 0 H LEU A 79 -8.844 -20.236 -28.941 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.551 -21.400 -26.801 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.002 -18.937 -28.564 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.015 -19.459 -27.232 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.127 -18.577 -26.870 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.994 -16.405 -26.090 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.369 -16.699 -27.805 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.636 -16.895 -26.571 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.790 -18.301 -24.507 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.415 -18.913 -24.900 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.998 -19.977 -25.067 1.00 0.00 H new ATOM 862 N CYS A 80 -12.150 -22.481 -28.396 1.00 0.00 N ATOM 863 CA CYS A 80 -13.104 -23.127 -29.319 1.00 0.00 C ATOM 864 C CYS A 80 -14.086 -22.059 -29.771 1.00 0.00 C ATOM 865 O CYS A 80 -14.331 -21.142 -28.995 1.00 0.00 O ATOM 866 CB CYS A 80 -13.839 -24.312 -28.634 1.00 0.00 C ATOM 867 SG CYS A 80 -15.137 -23.835 -27.439 1.00 0.00 S ATOM 0 H CYS A 80 -12.241 -22.779 -27.425 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.577 -23.548 -30.175 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.290 -24.935 -29.407 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.101 -24.927 -28.119 1.00 0.00 H new ATOM 872 N ILE A 81 -14.675 -22.201 -30.972 1.00 0.00 N ATOM 873 CA ILE A 81 -15.432 -21.105 -31.656 1.00 0.00 C ATOM 874 C ILE A 81 -16.529 -20.484 -30.745 1.00 0.00 C ATOM 875 O ILE A 81 -16.841 -19.302 -30.855 1.00 0.00 O ATOM 876 CB ILE A 81 -16.056 -21.621 -33.012 1.00 0.00 C ATOM 877 CG1 ILE A 81 -16.828 -20.479 -33.767 1.00 0.00 C ATOM 878 CG2 ILE A 81 -16.948 -22.865 -32.773 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.479 -20.893 -35.075 1.00 0.00 C ATOM 0 H ILE A 81 -14.647 -23.070 -31.505 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.717 -20.313 -31.877 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.236 -21.927 -33.662 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.599 -20.085 -33.105 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.133 -19.664 -33.968 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.366 -23.201 -33.722 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.349 -23.664 -32.337 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.758 -22.606 -32.091 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -17.985 -20.035 -35.517 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.715 -21.257 -35.762 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.204 -21.684 -34.886 1.00 0.00 H new ATOM 891 N HIS A 82 -17.028 -21.292 -29.795 1.00 0.00 N ATOM 892 CA HIS A 82 -18.070 -20.893 -28.831 1.00 0.00 C ATOM 893 C HIS A 82 -17.501 -19.886 -27.796 1.00 0.00 C ATOM 894 O HIS A 82 -18.099 -18.839 -27.547 1.00 0.00 O ATOM 895 CB HIS A 82 -18.644 -22.157 -28.133 1.00 0.00 C ATOM 896 CG HIS A 82 -19.026 -23.252 -29.103 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.206 -23.261 -29.807 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.341 -24.348 -29.520 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.230 -24.302 -30.612 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.110 -24.977 -30.457 1.00 0.00 N ATOM 0 H HIS A 82 -16.715 -22.255 -29.672 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.879 -20.392 -29.363 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.905 -22.544 -27.431 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.521 -21.875 -27.550 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.368 -24.664 -29.174 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.033 -24.559 -31.286 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -18.858 -25.830 -30.955 1.00 0.00 H new ATOM 909 N CYS A 83 -16.323 -20.213 -27.211 1.00 0.00 N ATOM 910 CA CYS A 83 -15.619 -19.309 -26.269 1.00 0.00 C ATOM 911 C CYS A 83 -14.836 -18.217 -27.020 1.00 0.00 C ATOM 912 O CYS A 83 -14.431 -17.220 -26.424 1.00 0.00 O ATOM 913 CB CYS A 83 -14.638 -20.086 -25.372 1.00 0.00 C ATOM 914 SG CYS A 83 -15.341 -21.500 -24.469 1.00 0.00 S ATOM 0 H CYS A 83 -15.840 -21.096 -27.375 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.387 -18.846 -25.650 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.817 -20.447 -25.991 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.210 -19.393 -24.648 1.00 0.00 H new ATOM 919 N GLN A 84 -14.571 -18.437 -28.320 1.00 0.00 N ATOM 920 CA GLN A 84 -13.764 -17.510 -29.127 1.00 0.00 C ATOM 921 C GLN A 84 -14.620 -16.298 -29.525 1.00 0.00 C ATOM 922 O GLN A 84 -14.173 -15.161 -29.386 1.00 0.00 O ATOM 923 CB GLN A 84 -13.179 -18.236 -30.388 1.00 0.00 C ATOM 924 CG GLN A 84 -11.805 -17.729 -30.904 1.00 0.00 C ATOM 925 CD GLN A 84 -11.734 -16.213 -31.110 1.00 0.00 C ATOM 926 OE1 GLN A 84 -11.289 -15.491 -30.085 1.00 0.00 O flip ATOM 927 NE2 GLN A 84 -12.042 -15.696 -32.181 1.00 0.00 N flip ATOM 0 H GLN A 84 -14.906 -19.252 -28.834 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.919 -17.159 -28.534 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.087 -19.298 -30.158 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.902 -18.147 -31.199 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.031 -18.025 -30.195 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.579 -18.224 -31.848 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.380 -16.276 -32.949 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.960 -14.687 -32.302 1.00 0.00 H new ATOM 936 N GLN A 85 -15.852 -16.565 -29.999 1.00 0.00 N ATOM 937 CA GLN A 85 -16.764 -15.522 -30.513 1.00 0.00 C ATOM 938 C GLN A 85 -17.117 -14.482 -29.423 1.00 0.00 C ATOM 939 O GLN A 85 -17.234 -13.291 -29.720 1.00 0.00 O ATOM 940 CB GLN A 85 -18.049 -16.161 -31.112 1.00 0.00 C ATOM 941 CG GLN A 85 -18.925 -16.929 -30.103 1.00 0.00 C ATOM 942 CD GLN A 85 -20.078 -17.680 -30.762 1.00 0.00 C ATOM 943 OE1 GLN A 85 -21.182 -17.164 -30.914 1.00 0.00 O ATOM 944 NE2 GLN A 85 -19.821 -18.906 -31.179 1.00 0.00 N ATOM 0 H GLN A 85 -16.243 -17.506 -30.037 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.242 -14.991 -31.309 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.650 -15.374 -31.567 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.759 -16.843 -31.911 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.303 -17.638 -29.556 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.327 -16.227 -29.372 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -18.894 -19.309 -31.039 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.549 -19.451 -31.641 1.00 0.00 H new ATOM 953 N GLU A 86 -17.249 -14.948 -28.151 1.00 0.00 N ATOM 954 CA GLU A 86 -17.532 -14.061 -27.003 1.00 0.00 C ATOM 955 C GLU A 86 -16.311 -13.163 -26.703 1.00 0.00 C ATOM 956 O GLU A 86 -16.471 -11.965 -26.478 1.00 0.00 O ATOM 957 CB GLU A 86 -17.954 -14.862 -25.729 1.00 0.00 C ATOM 958 CG GLU A 86 -16.863 -15.790 -25.161 1.00 0.00 C ATOM 959 CD GLU A 86 -17.169 -16.355 -23.766 1.00 0.00 C ATOM 960 OE1 GLU A 86 -17.167 -15.568 -22.800 1.00 0.00 O ATOM 961 OE2 GLU A 86 -17.341 -17.584 -23.623 1.00 0.00 O ATOM 0 H GLU A 86 -17.163 -15.933 -27.902 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.377 -13.430 -27.279 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.250 -14.155 -24.954 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.833 -15.461 -25.968 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.715 -16.621 -25.851 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.923 -15.240 -25.118 1.00 0.00 H new ATOM 968 N LYS A 87 -15.089 -13.754 -26.752 1.00 0.00 N ATOM 969 CA LYS A 87 -13.830 -13.032 -26.481 1.00 0.00 C ATOM 970 C LYS A 87 -13.468 -12.086 -27.623 1.00 0.00 C ATOM 971 O LYS A 87 -12.799 -11.082 -27.401 1.00 0.00 O ATOM 972 CB LYS A 87 -12.668 -14.024 -26.223 1.00 0.00 C ATOM 973 CG LYS A 87 -12.825 -14.859 -24.935 1.00 0.00 C ATOM 974 CD LYS A 87 -12.941 -13.977 -23.675 1.00 0.00 C ATOM 975 CE LYS A 87 -12.994 -14.802 -22.381 1.00 0.00 C ATOM 976 NZ LYS A 87 -14.155 -15.722 -22.341 1.00 0.00 N ATOM 0 H LYS A 87 -14.955 -14.739 -26.980 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.988 -12.434 -25.583 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.587 -14.700 -27.074 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.733 -13.466 -26.169 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.711 -15.488 -25.018 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.969 -15.526 -24.831 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.091 -13.296 -23.633 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.838 -13.363 -23.747 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.074 -15.379 -22.284 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.039 -14.128 -21.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.707 -15.546 -21.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.755 -15.560 -23.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.818 -16.706 -22.342 1.00 0.00 H new ATOM 990 N ASP A 88 -13.937 -12.416 -28.836 1.00 0.00 N ATOM 991 CA ASP A 88 -13.687 -11.612 -30.047 1.00 0.00 C ATOM 992 C ASP A 88 -14.402 -10.250 -29.929 1.00 0.00 C ATOM 993 O ASP A 88 -13.918 -9.235 -30.441 1.00 0.00 O ATOM 994 CB ASP A 88 -14.150 -12.385 -31.313 1.00 0.00 C ATOM 995 CG ASP A 88 -13.746 -11.707 -32.634 1.00 0.00 C ATOM 996 OD1 ASP A 88 -12.553 -11.785 -33.009 1.00 0.00 O ATOM 997 OD2 ASP A 88 -14.601 -11.072 -33.295 1.00 0.00 O ATOM 0 H ASP A 88 -14.501 -13.248 -29.007 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.617 -11.428 -30.142 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.730 -13.391 -31.288 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.234 -12.492 -31.286 1.00 0.00 H new ATOM 1002 N LEU A 89 -15.542 -10.249 -29.212 1.00 0.00 N ATOM 1003 CA LEU A 89 -16.293 -9.019 -28.882 1.00 0.00 C ATOM 1004 C LEU A 89 -15.484 -8.146 -27.908 1.00 0.00 C ATOM 1005 O LEU A 89 -15.513 -6.916 -27.980 1.00 0.00 O ATOM 1006 CB LEU A 89 -17.664 -9.365 -28.235 1.00 0.00 C ATOM 1007 CG LEU A 89 -18.522 -10.448 -28.949 1.00 0.00 C ATOM 1008 CD1 LEU A 89 -19.895 -10.623 -28.260 1.00 0.00 C ATOM 1009 CD2 LEU A 89 -18.678 -10.163 -30.465 1.00 0.00 C ATOM 0 H LEU A 89 -15.969 -11.099 -28.845 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.464 -8.472 -29.809 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -17.483 -9.695 -27.212 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.253 -8.450 -28.176 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.984 -11.392 -28.859 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -20.470 -11.387 -28.783 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -19.746 -10.927 -27.224 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -20.438 -9.678 -28.286 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -19.284 -10.945 -30.922 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -19.165 -9.198 -30.606 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -17.695 -10.145 -30.935 1.00 0.00 H new ATOM 1021 N GLN A 90 -14.759 -8.825 -27.001 1.00 0.00 N ATOM 1022 CA GLN A 90 -14.022 -8.186 -25.891 1.00 0.00 C ATOM 1023 C GLN A 90 -12.635 -7.707 -26.360 1.00 0.00 C ATOM 1024 O GLN A 90 -11.920 -7.035 -25.610 1.00 0.00 O ATOM 1025 CB GLN A 90 -13.911 -9.170 -24.687 1.00 0.00 C ATOM 1026 CG GLN A 90 -15.195 -9.986 -24.405 1.00 0.00 C ATOM 1027 CD GLN A 90 -16.466 -9.146 -24.196 1.00 0.00 C ATOM 1028 OE1 GLN A 90 -16.432 -8.043 -23.661 1.00 0.00 O ATOM 1029 NE2 GLN A 90 -17.593 -9.653 -24.656 1.00 0.00 N ATOM 0 H GLN A 90 -14.666 -9.841 -27.016 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.574 -7.307 -25.560 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -13.090 -9.862 -24.874 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.653 -8.603 -23.793 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -15.363 -10.670 -25.237 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -15.031 -10.597 -23.517 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.596 -10.573 -25.097 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -18.462 -9.126 -24.571 1.00 0.00 H new ATOM 1038 N LYS A 91 -12.269 -8.072 -27.602 1.00 0.00 N ATOM 1039 CA LYS A 91 -11.104 -7.523 -28.293 1.00 0.00 C ATOM 1040 C LYS A 91 -11.464 -6.125 -28.849 1.00 0.00 C ATOM 1041 O LYS A 91 -12.544 -5.969 -29.428 1.00 0.00 O ATOM 1042 CB LYS A 91 -10.650 -8.452 -29.463 1.00 0.00 C ATOM 1043 CG LYS A 91 -10.372 -9.924 -29.084 1.00 0.00 C ATOM 1044 CD LYS A 91 -9.349 -10.092 -27.937 1.00 0.00 C ATOM 1045 CE LYS A 91 -9.124 -11.572 -27.567 1.00 0.00 C ATOM 1046 NZ LYS A 91 -8.128 -11.726 -26.471 1.00 0.00 N ATOM 0 H LYS A 91 -12.781 -8.761 -28.152 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.280 -7.448 -27.584 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.419 -8.434 -30.235 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.746 -8.033 -29.904 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.310 -10.398 -28.794 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.007 -10.453 -29.964 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.400 -9.645 -28.231 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.698 -9.549 -27.059 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.071 -12.018 -27.262 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.783 -12.118 -28.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.006 -12.735 -26.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.217 -11.324 -26.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.465 -11.227 -25.623 1.00 0.00 H new ATOM 1060 N PRO A 92 -10.605 -5.084 -28.631 1.00 0.00 N ATOM 1061 CA PRO A 92 -10.727 -3.780 -29.334 1.00 0.00 C ATOM 1062 C PRO A 92 -10.727 -3.951 -30.867 1.00 0.00 C ATOM 1063 O PRO A 92 -11.500 -3.305 -31.573 1.00 0.00 O ATOM 1064 CB PRO A 92 -9.477 -2.992 -28.856 1.00 0.00 C ATOM 1065 CG PRO A 92 -9.127 -3.604 -27.532 1.00 0.00 C ATOM 1066 CD PRO A 92 -9.499 -5.071 -27.640 1.00 0.00 C ATOM 0 HA PRO A 92 -11.665 -3.272 -29.109 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.655 -3.085 -29.565 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.693 -1.928 -28.756 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.065 -3.485 -27.315 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.674 -3.121 -26.722 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.655 -5.674 -27.975 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.818 -5.475 -26.679 1.00 0.00 H new ATOM 1074 N ALA A 93 -9.834 -4.849 -31.340 1.00 0.00 N ATOM 1075 CA ALA A 93 -9.648 -5.194 -32.768 1.00 0.00 C ATOM 1076 C ALA A 93 -9.077 -4.016 -33.583 1.00 0.00 C ATOM 1077 O ALA A 93 -9.150 -4.011 -34.817 1.00 0.00 O ATOM 1078 CB ALA A 93 -10.955 -5.739 -33.385 1.00 0.00 C ATOM 0 H ALA A 93 -9.207 -5.367 -30.724 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.905 -5.990 -32.813 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.788 -5.984 -34.434 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.265 -6.636 -32.848 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -11.736 -4.983 -33.309 1.00 0.00 H new ATOM 1084 N TYR A 94 -8.461 -3.048 -32.879 1.00 0.00 N ATOM 1085 CA TYR A 94 -7.861 -1.860 -33.510 1.00 0.00 C ATOM 1086 C TYR A 94 -6.705 -1.320 -32.637 1.00 0.00 C ATOM 1087 O TYR A 94 -6.583 -1.682 -31.463 1.00 0.00 O ATOM 1088 CB TYR A 94 -8.949 -0.766 -33.770 1.00 0.00 C ATOM 1089 CG TYR A 94 -9.371 0.076 -32.543 1.00 0.00 C ATOM 1090 CD1 TYR A 94 -10.390 -0.330 -31.680 1.00 0.00 C ATOM 1091 CD2 TYR A 94 -8.741 1.290 -32.263 1.00 0.00 C ATOM 1092 CE1 TYR A 94 -10.758 0.445 -30.595 1.00 0.00 C ATOM 1093 CE2 TYR A 94 -9.096 2.055 -31.180 1.00 0.00 C ATOM 1094 CZ TYR A 94 -10.105 1.632 -30.349 1.00 0.00 C ATOM 1095 OH TYR A 94 -10.486 2.415 -29.284 1.00 0.00 O ATOM 0 H TYR A 94 -8.366 -3.068 -31.864 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.446 -2.143 -34.477 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.579 -0.089 -34.540 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.836 -1.253 -34.174 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.900 -1.265 -31.862 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.953 1.636 -32.916 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.555 0.120 -29.943 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.584 2.985 -30.982 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.924 3.217 -29.250 1.00 0.00 H new ATOM 1105 N THR A 95 -5.870 -0.446 -33.229 1.00 0.00 N ATOM 1106 CA THR A 95 -4.723 0.202 -32.553 1.00 0.00 C ATOM 1107 C THR A 95 -4.992 1.701 -32.281 1.00 0.00 C ATOM 1108 O THR A 95 -4.459 2.278 -31.325 1.00 0.00 O ATOM 1109 CB THR A 95 -3.433 0.059 -33.433 1.00 0.00 C ATOM 1110 OG1 THR A 95 -3.685 0.605 -34.747 1.00 0.00 O ATOM 1111 CG2 THR A 95 -2.975 -1.408 -33.568 1.00 0.00 C ATOM 0 H THR A 95 -5.972 -0.164 -34.204 1.00 0.00 H new ATOM 0 HA THR A 95 -4.580 -0.299 -31.595 1.00 0.00 H new ATOM 0 HB THR A 95 -2.634 0.609 -32.936 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.946 1.195 -35.003 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.079 -1.454 -34.186 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.756 -1.813 -32.580 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.767 -1.995 -34.033 1.00 0.00 H new ATOM 1119 N GLY A 96 -5.822 2.320 -33.135 1.00 0.00 N ATOM 1120 CA GLY A 96 -6.137 3.755 -33.041 1.00 0.00 C ATOM 1121 C GLY A 96 -5.904 4.491 -34.351 1.00 0.00 C ATOM 1122 O GLY A 96 -6.233 5.675 -34.474 1.00 0.00 O ATOM 0 H GLY A 96 -6.291 1.844 -33.906 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.178 3.876 -32.741 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.525 4.207 -32.260 1.00 0.00 H new ATOM 1126 N TYR A 97 -5.316 3.774 -35.317 1.00 0.00 N ATOM 1127 CA TYR A 97 -4.953 4.293 -36.644 1.00 0.00 C ATOM 1128 C TYR A 97 -5.179 3.181 -37.675 1.00 0.00 C ATOM 1129 O TYR A 97 -4.982 2.005 -37.355 1.00 0.00 O ATOM 1130 CB TYR A 97 -3.474 4.812 -36.669 1.00 0.00 C ATOM 1131 CG TYR A 97 -2.502 4.072 -35.721 1.00 0.00 C ATOM 1132 CD1 TYR A 97 -2.486 4.384 -34.361 1.00 0.00 C ATOM 1133 CD2 TYR A 97 -1.627 3.088 -36.167 1.00 0.00 C ATOM 1134 CE1 TYR A 97 -1.639 3.742 -33.486 1.00 0.00 C ATOM 1135 CE2 TYR A 97 -0.776 2.442 -35.293 1.00 0.00 C ATOM 1136 CZ TYR A 97 -0.784 2.771 -33.955 1.00 0.00 C ATOM 1137 OH TYR A 97 0.066 2.120 -33.091 1.00 0.00 O ATOM 0 H TYR A 97 -5.073 2.791 -35.195 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.582 5.149 -36.889 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.095 4.732 -37.688 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.473 5.871 -36.411 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.153 5.146 -33.986 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.613 2.825 -37.214 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.645 3.999 -32.437 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -0.104 1.679 -35.658 1.00 0.00 H new ATOM 0 HH TYR A 97 0.420 1.316 -33.525 1.00 0.00 H new ATOM 1147 N ASN A 98 -5.581 3.556 -38.904 1.00 0.00 N ATOM 1148 CA ASN A 98 -5.914 2.587 -39.987 1.00 0.00 C ATOM 1149 C ASN A 98 -4.722 1.653 -40.288 1.00 0.00 C ATOM 1150 O ASN A 98 -4.900 0.462 -40.562 1.00 0.00 O ATOM 1151 CB ASN A 98 -6.374 3.319 -41.287 1.00 0.00 C ATOM 1152 CG ASN A 98 -5.295 4.183 -41.961 1.00 0.00 C ATOM 1153 OD1 ASN A 98 -4.413 4.747 -41.308 1.00 0.00 O ATOM 1154 ND2 ASN A 98 -5.362 4.298 -43.279 1.00 0.00 N ATOM 0 H ASN A 98 -5.686 4.532 -39.182 1.00 0.00 H new ATOM 0 HA ASN A 98 -6.745 1.978 -39.630 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -6.721 2.574 -42.003 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -7.228 3.952 -41.047 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -4.674 4.863 -43.777 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -6.101 3.821 -43.796 1.00 0.00 H new ATOM 1161 N ARG A 99 -3.509 2.227 -40.209 1.00 0.00 N ATOM 1162 CA ARG A 99 -2.240 1.497 -40.363 1.00 0.00 C ATOM 1163 C ARG A 99 -1.892 0.725 -39.071 1.00 0.00 C ATOM 1164 O ARG A 99 -2.631 0.766 -38.081 1.00 0.00 O ATOM 1165 CB ARG A 99 -1.107 2.493 -40.742 1.00 0.00 C ATOM 1166 CG ARG A 99 -0.847 3.599 -39.689 1.00 0.00 C ATOM 1167 CD ARG A 99 0.279 4.561 -40.095 1.00 0.00 C ATOM 1168 NE ARG A 99 0.519 5.597 -39.073 1.00 0.00 N ATOM 1169 CZ ARG A 99 1.576 6.424 -39.047 1.00 0.00 C ATOM 1170 NH1 ARG A 99 2.532 6.339 -39.967 1.00 0.00 N ATOM 1171 NH2 ARG A 99 1.678 7.330 -38.096 1.00 0.00 N ATOM 0 H ARG A 99 -3.381 3.224 -40.034 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.345 0.766 -41.164 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.185 1.933 -40.898 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -1.358 2.965 -41.692 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.764 4.167 -39.533 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.594 3.134 -38.736 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.196 3.996 -40.260 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.024 5.038 -41.041 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.172 5.692 -38.328 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.468 5.638 -40.706 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.329 6.974 -39.934 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.954 7.402 -37.381 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.481 7.959 -38.075 1.00 0.00 H new ATOM 1185 N ARG A 100 -0.772 -0.003 -39.093 1.00 0.00 N ATOM 1186 CA ARG A 100 -0.278 -0.754 -37.929 1.00 0.00 C ATOM 1187 C ARG A 100 0.921 -0.044 -37.289 1.00 0.00 C ATOM 1188 O ARG A 100 1.242 1.095 -37.665 1.00 0.00 O ATOM 1189 CB ARG A 100 0.034 -2.227 -38.343 1.00 0.00 C ATOM 1190 CG ARG A 100 -1.228 -3.037 -38.714 1.00 0.00 C ATOM 1191 CD ARG A 100 -2.254 -3.062 -37.565 1.00 0.00 C ATOM 1192 NE ARG A 100 -3.577 -3.544 -37.997 1.00 0.00 N ATOM 1193 CZ ARG A 100 -4.628 -2.756 -38.288 1.00 0.00 C ATOM 1194 NH1 ARG A 100 -4.509 -1.430 -38.263 1.00 0.00 N ATOM 1195 NH2 ARG A 100 -5.787 -3.294 -38.611 1.00 0.00 N ATOM 0 H ARG A 100 -0.179 -0.090 -39.919 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.052 -0.790 -37.163 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.717 -2.222 -39.193 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.550 -2.726 -37.523 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.689 -2.605 -39.602 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.942 -4.058 -38.968 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.882 -3.702 -36.765 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.354 -2.059 -37.151 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.706 -4.552 -38.082 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.615 -1.003 -38.022 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.312 -0.842 -38.485 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -5.888 -4.309 -38.640 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.583 -2.696 -38.831 1.00 0.00 H new ATOM 1209 N GLY A 101 1.530 -0.722 -36.289 1.00 0.00 N ATOM 1210 CA GLY A 101 2.574 -0.152 -35.430 1.00 0.00 C ATOM 1211 C GLY A 101 3.692 0.576 -36.176 1.00 0.00 C ATOM 1212 O GLY A 101 4.603 -0.054 -36.715 1.00 0.00 O ATOM 0 H GLY A 101 1.303 -1.690 -36.060 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.110 0.544 -34.731 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.014 -0.953 -34.837 1.00 0.00 H new ATOM 1216 N SER A 102 3.571 1.910 -36.233 1.00 0.00 N ATOM 1217 CA SER A 102 4.573 2.802 -36.831 1.00 0.00 C ATOM 1218 C SER A 102 5.472 3.359 -35.714 1.00 0.00 C ATOM 1219 O SER A 102 5.171 4.390 -35.095 1.00 0.00 O ATOM 1220 CB SER A 102 3.876 3.929 -37.628 1.00 0.00 C ATOM 1221 OG SER A 102 3.017 3.386 -38.621 1.00 0.00 O ATOM 0 H SER A 102 2.762 2.406 -35.859 1.00 0.00 H new ATOM 0 HA SER A 102 5.198 2.251 -37.535 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.302 4.560 -36.949 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.626 4.566 -38.098 1.00 0.00 H new ATOM 0 HG SER A 102 2.388 2.761 -38.203 1.00 0.00 H new ATOM 1227 N LYS A 103 6.541 2.602 -35.412 1.00 0.00 N ATOM 1228 CA LYS A 103 7.556 2.972 -34.404 1.00 0.00 C ATOM 1229 C LYS A 103 8.477 4.077 -34.962 1.00 0.00 C ATOM 1230 O LYS A 103 9.209 4.723 -34.211 1.00 0.00 O ATOM 1231 CB LYS A 103 8.387 1.722 -33.968 1.00 0.00 C ATOM 1232 CG LYS A 103 7.620 0.643 -33.140 1.00 0.00 C ATOM 1233 CD LYS A 103 6.499 -0.076 -33.933 1.00 0.00 C ATOM 1234 CE LYS A 103 5.728 -1.116 -33.104 1.00 0.00 C ATOM 1235 NZ LYS A 103 6.569 -2.280 -32.733 1.00 0.00 N ATOM 0 H LYS A 103 6.729 1.707 -35.864 1.00 0.00 H new ATOM 0 HA LYS A 103 7.046 3.357 -33.521 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.788 1.247 -34.863 1.00 0.00 H new ATOM 0 HB3 LYS A 103 9.239 2.064 -33.380 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.332 -0.100 -32.782 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.183 1.116 -32.260 1.00 0.00 H new ATOM 0 HD2 LYS A 103 5.797 0.668 -34.310 1.00 0.00 H new ATOM 0 HD3 LYS A 103 6.938 -0.568 -34.801 1.00 0.00 H new ATOM 0 HE2 LYS A 103 5.346 -0.644 -32.199 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.864 -1.462 -33.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.005 -2.952 -32.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.913 -2.748 -33.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.380 -1.956 -32.168 1.00 0.00 H new ATOM 1249 N ASP A 104 8.431 4.263 -36.294 1.00 0.00 N ATOM 1250 CA ASP A 104 9.134 5.348 -36.996 1.00 0.00 C ATOM 1251 C ASP A 104 8.332 5.755 -38.252 1.00 0.00 C ATOM 1252 O ASP A 104 7.255 5.202 -38.522 1.00 0.00 O ATOM 1253 CB ASP A 104 10.585 4.911 -37.363 1.00 0.00 C ATOM 1254 CG ASP A 104 10.671 3.927 -38.550 1.00 0.00 C ATOM 1255 OD1 ASP A 104 10.128 2.804 -38.452 1.00 0.00 O ATOM 1256 OD2 ASP A 104 11.286 4.267 -39.586 1.00 0.00 O ATOM 0 H ASP A 104 7.899 3.657 -36.918 1.00 0.00 H new ATOM 0 HA ASP A 104 9.210 6.215 -36.340 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.171 5.799 -37.599 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.045 4.449 -36.489 1.00 0.00 H new ATOM 1261 N SER A 105 8.858 6.739 -39.005 1.00 0.00 N ATOM 1262 CA SER A 105 8.256 7.209 -40.274 1.00 0.00 C ATOM 1263 C SER A 105 9.355 7.389 -41.350 1.00 0.00 C ATOM 1264 O SER A 105 9.107 7.950 -42.429 1.00 0.00 O ATOM 1265 CB SER A 105 7.491 8.537 -40.011 1.00 0.00 C ATOM 1266 OG SER A 105 6.725 8.950 -41.140 1.00 0.00 O ATOM 0 H SER A 105 9.714 7.234 -38.753 1.00 0.00 H new ATOM 0 HA SER A 105 7.549 6.469 -40.649 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.831 8.410 -39.153 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.204 9.320 -39.752 1.00 0.00 H new ATOM 0 HG SER A 105 7.223 8.757 -41.962 1.00 0.00 H new ATOM 1272 N GLN A 106 10.561 6.873 -41.056 1.00 0.00 N ATOM 1273 CA GLN A 106 11.751 7.036 -41.901 1.00 0.00 C ATOM 1274 C GLN A 106 11.761 5.997 -43.038 1.00 0.00 C ATOM 1275 O GLN A 106 11.312 4.855 -42.868 1.00 0.00 O ATOM 1276 CB GLN A 106 13.055 6.938 -41.047 1.00 0.00 C ATOM 1277 CG GLN A 106 13.393 8.196 -40.209 1.00 0.00 C ATOM 1278 CD GLN A 106 12.369 8.552 -39.125 1.00 0.00 C ATOM 1279 OE1 GLN A 106 11.721 7.690 -38.546 1.00 0.00 O ATOM 1280 NE2 GLN A 106 12.210 9.831 -38.846 1.00 0.00 N ATOM 0 H GLN A 106 10.736 6.325 -40.214 1.00 0.00 H new ATOM 0 HA GLN A 106 11.715 8.028 -42.350 1.00 0.00 H new ATOM 0 HB2 GLN A 106 12.965 6.086 -40.373 1.00 0.00 H new ATOM 0 HB3 GLN A 106 13.892 6.730 -41.714 1.00 0.00 H new ATOM 0 HG2 GLN A 106 14.363 8.047 -39.735 1.00 0.00 H new ATOM 0 HG3 GLN A 106 13.495 9.046 -40.884 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.760 10.533 -39.340 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.537 10.118 -38.136 1.00 0.00 H new ATOM 1289 N LEU A 107 12.292 6.417 -44.191 1.00 0.00 N ATOM 1290 CA LEU A 107 12.373 5.589 -45.414 1.00 0.00 C ATOM 1291 C LEU A 107 13.793 5.653 -46.012 1.00 0.00 C ATOM 1292 O LEU A 107 14.038 5.156 -47.120 1.00 0.00 O ATOM 1293 CB LEU A 107 11.305 6.048 -46.468 1.00 0.00 C ATOM 1294 CG LEU A 107 11.448 7.499 -47.076 1.00 0.00 C ATOM 1295 CD1 LEU A 107 10.590 7.656 -48.353 1.00 0.00 C ATOM 1296 CD2 LEU A 107 11.088 8.609 -46.059 1.00 0.00 C ATOM 0 H LEU A 107 12.684 7.351 -44.310 1.00 0.00 H new ATOM 0 HA LEU A 107 12.158 4.555 -45.145 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.321 5.336 -47.293 1.00 0.00 H new ATOM 0 HB3 LEU A 107 10.322 5.975 -46.003 1.00 0.00 H new ATOM 0 HG LEU A 107 12.500 7.619 -47.335 1.00 0.00 H new ATOM 0 HD11 LEU A 107 10.708 8.665 -48.749 1.00 0.00 H new ATOM 0 HD12 LEU A 107 10.914 6.932 -49.101 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.542 7.482 -48.111 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.204 9.585 -46.530 1.00 0.00 H new ATOM 0 HD22 LEU A 107 10.055 8.483 -45.734 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.751 8.541 -45.197 1.00 0.00 H new ATOM 1308 N ARG A 108 14.731 6.251 -45.249 1.00 0.00 N ATOM 1309 CA ARG A 108 16.116 6.496 -45.681 1.00 0.00 C ATOM 1310 C ARG A 108 17.084 5.792 -44.696 1.00 0.00 C ATOM 1311 O ARG A 108 17.214 6.257 -43.540 1.00 0.00 O ATOM 1312 CB ARG A 108 16.387 8.028 -45.741 1.00 0.00 C ATOM 1313 CG ARG A 108 15.496 8.802 -46.737 1.00 0.00 C ATOM 1314 CD ARG A 108 15.741 10.321 -46.685 1.00 0.00 C ATOM 1315 NE ARG A 108 17.142 10.673 -46.987 1.00 0.00 N ATOM 1316 CZ ARG A 108 17.857 11.637 -46.384 1.00 0.00 C ATOM 1317 NH1 ARG A 108 17.345 12.355 -45.392 1.00 0.00 N ATOM 1318 NH2 ARG A 108 19.098 11.864 -46.766 1.00 0.00 N ATOM 1319 OXT ARG A 108 17.696 4.770 -45.072 1.00 0.00 O ATOM 0 H ARG A 108 14.541 6.581 -44.303 1.00 0.00 H new ATOM 0 HA ARG A 108 16.276 6.089 -46.679 1.00 0.00 H new ATOM 0 HB2 ARG A 108 16.245 8.448 -44.745 1.00 0.00 H new ATOM 0 HB3 ARG A 108 17.431 8.188 -46.008 1.00 0.00 H new ATOM 0 HG2 ARG A 108 15.686 8.440 -47.748 1.00 0.00 H new ATOM 0 HG3 ARG A 108 14.448 8.598 -46.517 1.00 0.00 H new ATOM 0 HD2 ARG A 108 15.082 10.818 -47.397 1.00 0.00 H new ATOM 0 HD3 ARG A 108 15.480 10.695 -45.695 1.00 0.00 H new ATOM 0 HE ARG A 108 17.609 10.137 -47.718 1.00 0.00 H new ATOM 0 HH11 ARG A 108 16.392 12.179 -45.074 1.00 0.00 H new ATOM 0 HH12 ARG A 108 17.905 13.083 -44.947 1.00 0.00 H new ATOM 0 HH21 ARG A 108 19.510 11.309 -47.516 1.00 0.00 H new ATOM 0 HH22 ARG A 108 19.646 12.595 -46.312 1.00 0.00 H new TER 1333 ARG A 108 HETATM 1334 ZN ZN A 109 -14.511 -23.566 -25.180 1.00 0.00 ZN