USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 922 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 17 SER OG : rot 105:sc= 0.927 USER MOD Set 1.2: A 20 THR OG1 : rot 88:sc= 1.51 USER MOD Single : A 1 SER N :NH3+ 175:sc= -0.175 (180deg=-0.193) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00479 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.357 K(o=0.36,f=-4.6!) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -0.644 X(o=-0.64,f=-1.1) USER MOD Single : A 34 CYS SG : rot -81:sc= 0.524 USER MOD Single : A 39 SER OG : rot -30:sc= 0.314 USER MOD Single : A 40 CYS SG : rot -116:sc= -0.206! USER MOD Single : A 54 SER OG : rot 5:sc= 0.53 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0847 K(o=-0.085,f=-0.7) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0513 X(o=-0.051,f=-0.051) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -2.72! (180deg=-3.75!) USER MOD Single : A 72 SER OG : rot -175:sc= 0.721 USER MOD Single : A 74 THR OG1 : rot 120:sc= -0.339 USER MOD Single : A 80 SER OG : rot 51:sc= 1.34 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 84 LYS NZ :NH3+ 143:sc= -3.13! (180deg=-4.35!) USER MOD Single : A 85 ASN : amide:sc= 0.249 K(o=0.25,f=-0.88) USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0382) USER MOD Single : A 87 THR OG1 : rot -76:sc= 0.0201 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc=-0.00346 K(o=-0.0035,f=-1.1) USER MOD Single : A 98 MET CE :methyl 157:sc= 0 (180deg=-0.793) USER MOD Single : A 100 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-2.4!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -73:sc= 1.1 USER MOD Single : A 109 ASN : amide:sc= -0.774 K(o=-0.77,f=-2.8!) USER MOD Single : A 110 TYR OH : rot 150:sc= 0.0671 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -170:sc= -0.0116 (180deg=-0.15) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -21.272 1.444 20.845 1.00 0.00 N ATOM 2 CA SER A 1 -21.075 1.747 22.290 1.00 0.00 C ATOM 3 C SER A 1 -19.798 2.551 22.507 1.00 0.00 C ATOM 4 O SER A 1 -19.482 2.947 23.627 1.00 0.00 O ATOM 5 CB SER A 1 -21.013 0.445 23.089 1.00 0.00 C ATOM 6 OG SER A 1 -21.243 -0.667 22.243 1.00 0.00 O ATOM 0 H1 SER A 1 -22.100 0.825 20.730 1.00 0.00 H new ATOM 0 H2 SER A 1 -21.426 2.330 20.322 1.00 0.00 H new ATOM 0 H3 SER A 1 -20.427 0.965 20.472 1.00 0.00 H new ATOM 0 HA SER A 1 -21.919 2.344 22.635 1.00 0.00 H new ATOM 0 HB2 SER A 1 -20.038 0.351 23.567 1.00 0.00 H new ATOM 0 HB3 SER A 1 -21.757 0.464 23.885 1.00 0.00 H new ATOM 0 HG SER A 1 -21.198 -1.493 22.769 1.00 0.00 H new ATOM 14 N GLU A 2 -19.070 2.788 21.422 1.00 0.00 N ATOM 15 CA GLU A 2 -17.825 3.544 21.478 1.00 0.00 C ATOM 16 C GLU A 2 -17.590 4.292 20.169 1.00 0.00 C ATOM 17 O GLU A 2 -18.162 3.943 19.136 1.00 0.00 O ATOM 18 CB GLU A 2 -16.645 2.609 21.776 1.00 0.00 C ATOM 19 CG GLU A 2 -16.432 1.524 20.728 1.00 0.00 C ATOM 20 CD GLU A 2 -15.291 0.587 21.072 1.00 0.00 C ATOM 21 OE1 GLU A 2 -14.654 0.788 22.129 1.00 0.00 O ATOM 22 OE2 GLU A 2 -15.033 -0.346 20.285 1.00 0.00 O ATOM 0 H GLU A 2 -19.323 2.465 20.488 1.00 0.00 H new ATOM 0 HA GLU A 2 -17.904 4.275 22.283 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.735 3.204 21.858 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -16.805 2.137 22.745 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.350 0.946 20.619 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.233 1.991 19.764 1.00 0.00 H new ATOM 29 N PHE A 3 -16.743 5.315 20.220 1.00 0.00 N ATOM 30 CA PHE A 3 -16.435 6.112 19.038 1.00 0.00 C ATOM 31 C PHE A 3 -14.929 6.172 18.812 1.00 0.00 C ATOM 32 O PHE A 3 -14.151 6.162 19.767 1.00 0.00 O ATOM 33 CB PHE A 3 -16.993 7.533 19.179 1.00 0.00 C ATOM 34 CG PHE A 3 -18.490 7.590 19.316 1.00 0.00 C ATOM 35 CD1 PHE A 3 -19.084 7.702 20.563 1.00 0.00 C ATOM 36 CD2 PHE A 3 -19.304 7.532 18.196 1.00 0.00 C ATOM 37 CE1 PHE A 3 -20.459 7.755 20.691 1.00 0.00 C ATOM 38 CE2 PHE A 3 -20.680 7.583 18.318 1.00 0.00 C ATOM 39 CZ PHE A 3 -21.258 7.696 19.566 1.00 0.00 C ATOM 0 H PHE A 3 -16.258 5.612 21.067 1.00 0.00 H new ATOM 0 HA PHE A 3 -16.906 5.634 18.179 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -16.540 8.006 20.051 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -16.695 8.118 18.309 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -18.464 7.748 21.446 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -18.858 7.446 17.216 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -20.908 7.842 21.669 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -21.303 7.534 17.437 1.00 0.00 H new ATOM 0 HZ PHE A 3 -22.333 7.738 19.663 1.00 0.00 H new ATOM 49 N GLY A 4 -14.524 6.231 17.548 1.00 0.00 N ATOM 50 CA GLY A 4 -13.113 6.291 17.224 1.00 0.00 C ATOM 51 C GLY A 4 -12.875 6.431 15.734 1.00 0.00 C ATOM 52 O GLY A 4 -13.826 6.476 14.953 1.00 0.00 O ATOM 0 H GLY A 4 -15.149 6.238 16.742 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.658 7.134 17.744 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.620 5.389 17.586 1.00 0.00 H new ATOM 56 N SER A 5 -11.610 6.504 15.342 1.00 0.00 N ATOM 57 CA SER A 5 -11.254 6.638 13.934 1.00 0.00 C ATOM 58 C SER A 5 -10.224 5.587 13.538 1.00 0.00 C ATOM 59 O SER A 5 -9.419 5.154 14.364 1.00 0.00 O ATOM 60 CB SER A 5 -10.705 8.040 13.657 1.00 0.00 C ATOM 61 OG SER A 5 -11.674 9.034 13.950 1.00 0.00 O ATOM 0 H SER A 5 -10.813 6.473 15.978 1.00 0.00 H new ATOM 0 HA SER A 5 -12.153 6.485 13.337 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.812 8.210 14.258 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.405 8.117 12.612 1.00 0.00 H new ATOM 0 HG SER A 5 -11.299 9.921 13.767 1.00 0.00 H new ATOM 67 N MET A 6 -10.253 5.178 12.274 1.00 0.00 N ATOM 68 CA MET A 6 -9.318 4.178 11.774 1.00 0.00 C ATOM 69 C MET A 6 -8.408 4.782 10.712 1.00 0.00 C ATOM 70 O MET A 6 -8.860 5.577 9.884 1.00 0.00 O ATOM 71 CB MET A 6 -10.073 2.978 11.195 1.00 0.00 C ATOM 72 CG MET A 6 -10.940 2.250 12.210 1.00 0.00 C ATOM 73 SD MET A 6 -11.869 0.888 11.480 1.00 0.00 S ATOM 74 CE MET A 6 -12.864 0.370 12.877 1.00 0.00 C ATOM 0 H MET A 6 -10.914 5.524 11.578 1.00 0.00 H new ATOM 0 HA MET A 6 -8.706 3.837 12.609 1.00 0.00 H new ATOM 0 HB2 MET A 6 -10.702 3.319 10.372 1.00 0.00 H new ATOM 0 HB3 MET A 6 -9.353 2.275 10.776 1.00 0.00 H new ATOM 0 HG2 MET A 6 -10.309 1.866 13.012 1.00 0.00 H new ATOM 0 HG3 MET A 6 -11.635 2.957 12.662 1.00 0.00 H new ATOM 0 HE1 MET A 6 -13.495 -0.468 12.583 1.00 0.00 H new ATOM 0 HE2 MET A 6 -12.212 0.064 13.695 1.00 0.00 H new ATOM 0 HE3 MET A 6 -13.491 1.199 13.204 1.00 0.00 H new ATOM 84 N ALA A 7 -7.129 4.394 10.745 1.00 0.00 N ATOM 85 CA ALA A 7 -6.127 4.885 9.797 1.00 0.00 C ATOM 86 C ALA A 7 -6.006 6.411 9.855 1.00 0.00 C ATOM 87 O ALA A 7 -6.035 7.001 10.934 1.00 0.00 O ATOM 88 CB ALA A 7 -6.450 4.412 8.381 1.00 0.00 C ATOM 0 H ALA A 7 -6.761 3.732 11.428 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.161 4.470 10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.694 4.787 7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.457 3.322 8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.429 4.789 8.086 1.00 0.00 H new ATOM 94 N GLY A 8 -5.859 7.044 8.692 1.00 0.00 N ATOM 95 CA GLY A 8 -5.736 8.493 8.640 1.00 0.00 C ATOM 96 C GLY A 8 -4.320 8.972 8.899 1.00 0.00 C ATOM 97 O GLY A 8 -4.059 10.175 8.915 1.00 0.00 O ATOM 0 H GLY A 8 -5.823 6.579 7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.061 8.846 7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.405 8.937 9.377 1.00 0.00 H new ATOM 101 N ASN A 9 -3.405 8.031 9.096 1.00 0.00 N ATOM 102 CA ASN A 9 -2.006 8.350 9.357 1.00 0.00 C ATOM 103 C ASN A 9 -1.117 7.181 8.948 1.00 0.00 C ATOM 104 O ASN A 9 -1.606 6.075 8.718 1.00 0.00 O ATOM 105 CB ASN A 9 -1.797 8.677 10.840 1.00 0.00 C ATOM 106 CG ASN A 9 -0.662 9.660 11.064 1.00 0.00 C ATOM 107 OD1 ASN A 9 0.103 9.962 10.146 1.00 0.00 O ATOM 108 ND2 ASN A 9 -0.547 10.165 12.284 1.00 0.00 N ATOM 0 H ASN A 9 -3.609 7.032 9.080 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.734 9.225 8.767 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.718 9.091 11.251 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.589 7.757 11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.197 10.831 12.492 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.202 9.887 13.015 1.00 0.00 H new ATOM 115 N CYS A 10 0.185 7.431 8.855 1.00 0.00 N ATOM 116 CA CYS A 10 1.136 6.393 8.477 1.00 0.00 C ATOM 117 C CYS A 10 1.432 5.467 9.655 1.00 0.00 C ATOM 118 O CYS A 10 1.223 5.831 10.814 1.00 0.00 O ATOM 119 CB CYS A 10 2.433 7.022 7.962 1.00 0.00 C ATOM 120 SG CYS A 10 3.393 7.885 9.229 1.00 0.00 S ATOM 0 H CYS A 10 0.605 8.343 9.036 1.00 0.00 H new ATOM 0 HA CYS A 10 0.689 5.799 7.679 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.053 6.241 7.522 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.191 7.724 7.164 1.00 0.00 H new ATOM 0 HG CYS A 10 4.470 8.379 8.695 1.00 0.00 H new ATOM 126 N GLY A 11 1.923 4.272 9.351 1.00 0.00 N ATOM 127 CA GLY A 11 2.243 3.310 10.389 1.00 0.00 C ATOM 128 C GLY A 11 3.691 3.389 10.831 1.00 0.00 C ATOM 129 O GLY A 11 4.396 4.340 10.497 1.00 0.00 O ATOM 0 H GLY A 11 2.106 3.951 8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.595 3.480 11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.033 2.304 10.025 1.00 0.00 H new ATOM 133 N ALA A 12 4.127 2.386 11.591 1.00 0.00 N ATOM 134 CA ALA A 12 5.503 2.328 12.087 1.00 0.00 C ATOM 135 C ALA A 12 6.508 2.247 10.939 1.00 0.00 C ATOM 136 O ALA A 12 7.574 2.862 11.000 1.00 0.00 O ATOM 137 CB ALA A 12 5.676 1.144 13.028 1.00 0.00 C ATOM 0 H ALA A 12 3.545 1.599 11.878 1.00 0.00 H new ATOM 0 HA ALA A 12 5.699 3.249 12.636 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.704 1.113 13.389 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.997 1.250 13.874 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.451 0.220 12.495 1.00 0.00 H new ATOM 143 N ARG A 13 6.159 1.473 9.904 1.00 0.00 N ATOM 144 CA ARG A 13 7.014 1.295 8.724 1.00 0.00 C ATOM 145 C ARG A 13 8.381 0.724 9.102 1.00 0.00 C ATOM 146 O ARG A 13 9.410 1.123 8.555 1.00 0.00 O ATOM 147 CB ARG A 13 7.183 2.624 7.980 1.00 0.00 C ATOM 148 CG ARG A 13 5.905 3.125 7.323 1.00 0.00 C ATOM 149 CD ARG A 13 6.060 4.554 6.826 1.00 0.00 C ATOM 150 NE ARG A 13 7.108 4.678 5.814 1.00 0.00 N ATOM 151 CZ ARG A 13 7.577 5.846 5.381 1.00 0.00 C ATOM 152 NH1 ARG A 13 8.533 5.878 4.462 1.00 0.00 N ATOM 153 NH2 ARG A 13 7.094 6.980 5.870 1.00 0.00 N ATOM 0 H ARG A 13 5.281 0.955 9.861 1.00 0.00 H new ATOM 0 HA ARG A 13 6.523 0.579 8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.541 3.379 8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.952 2.507 7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.644 2.474 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.083 3.074 8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.113 4.896 6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.292 5.206 7.668 1.00 0.00 H new ATOM 0 HE ARG A 13 7.501 3.824 5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.909 5.007 4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.892 6.773 4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.362 6.958 6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.455 7.874 5.537 1.00 0.00 H new ATOM 167 N GLY A 14 8.380 -0.223 10.032 1.00 0.00 N ATOM 168 CA GLY A 14 9.619 -0.833 10.471 1.00 0.00 C ATOM 169 C GLY A 14 9.426 -2.273 10.904 1.00 0.00 C ATOM 170 O GLY A 14 8.783 -3.053 10.203 1.00 0.00 O ATOM 0 H GLY A 14 7.541 -0.579 10.490 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.348 -0.793 9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.031 -0.258 11.300 1.00 0.00 H new ATOM 174 N ALA A 15 9.988 -2.619 12.058 1.00 0.00 N ATOM 175 CA ALA A 15 9.881 -3.972 12.599 1.00 0.00 C ATOM 176 C ALA A 15 8.428 -4.351 12.885 1.00 0.00 C ATOM 177 O ALA A 15 8.019 -5.489 12.656 1.00 0.00 O ATOM 178 CB ALA A 15 10.717 -4.101 13.865 1.00 0.00 C ATOM 0 H ALA A 15 10.526 -1.977 12.641 1.00 0.00 H new ATOM 0 HA ALA A 15 10.262 -4.661 11.846 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.628 -5.114 14.258 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.761 -3.891 13.634 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.360 -3.390 14.610 1.00 0.00 H new ATOM 184 N LEU A 16 7.656 -3.393 13.389 1.00 0.00 N ATOM 185 CA LEU A 16 6.255 -3.632 13.708 1.00 0.00 C ATOM 186 C LEU A 16 5.344 -3.130 12.590 1.00 0.00 C ATOM 187 O LEU A 16 5.565 -2.058 12.024 1.00 0.00 O ATOM 188 CB LEU A 16 5.885 -2.947 15.026 1.00 0.00 C ATOM 189 CG LEU A 16 6.697 -3.392 16.246 1.00 0.00 C ATOM 190 CD1 LEU A 16 6.292 -2.594 17.476 1.00 0.00 C ATOM 191 CD2 LEU A 16 6.516 -4.883 16.496 1.00 0.00 C ATOM 0 H LEU A 16 7.978 -2.445 13.585 1.00 0.00 H new ATOM 0 HA LEU A 16 6.114 -4.708 13.811 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.005 -1.871 14.903 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.829 -3.129 15.227 1.00 0.00 H new ATOM 0 HG LEU A 16 7.751 -3.203 16.043 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.879 -2.924 18.333 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.473 -1.534 17.298 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.233 -2.752 17.680 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.101 -5.180 17.367 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.462 -5.096 16.677 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.855 -5.442 15.624 1.00 0.00 H new ATOM 203 N SER A 17 4.318 -3.914 12.280 1.00 0.00 N ATOM 204 CA SER A 17 3.368 -3.563 11.235 1.00 0.00 C ATOM 205 C SER A 17 2.074 -3.011 11.838 1.00 0.00 C ATOM 206 O SER A 17 1.304 -3.742 12.464 1.00 0.00 O ATOM 207 CB SER A 17 3.075 -4.803 10.390 1.00 0.00 C ATOM 208 OG SER A 17 3.002 -5.964 11.203 1.00 0.00 O ATOM 0 H SER A 17 4.123 -4.802 12.742 1.00 0.00 H new ATOM 0 HA SER A 17 3.800 -2.785 10.606 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.135 -4.669 9.855 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.855 -4.929 9.639 1.00 0.00 H new ATOM 0 HG SER A 17 2.065 -6.233 11.305 1.00 0.00 H new ATOM 214 N ALA A 18 1.833 -1.716 11.634 1.00 0.00 N ATOM 215 CA ALA A 18 0.633 -1.062 12.154 1.00 0.00 C ATOM 216 C ALA A 18 -0.523 -1.147 11.162 1.00 0.00 C ATOM 217 O ALA A 18 -1.660 -0.803 11.482 1.00 0.00 O ATOM 218 CB ALA A 18 0.927 0.390 12.499 1.00 0.00 C ATOM 0 H ALA A 18 2.454 -1.098 11.111 1.00 0.00 H new ATOM 0 HA ALA A 18 0.335 -1.588 13.061 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.024 0.862 12.885 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.710 0.433 13.256 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.258 0.917 11.604 1.00 0.00 H new ATOM 224 N HIS A 19 -0.219 -1.616 9.959 1.00 0.00 N ATOM 225 CA HIS A 19 -1.217 -1.750 8.902 1.00 0.00 C ATOM 226 C HIS A 19 -1.628 -3.207 8.715 1.00 0.00 C ATOM 227 O HIS A 19 -2.102 -3.584 7.655 1.00 0.00 O ATOM 228 CB HIS A 19 -0.695 -1.179 7.575 1.00 0.00 C ATOM 229 CG HIS A 19 -0.503 0.309 7.585 1.00 0.00 C ATOM 230 ND1 HIS A 19 -1.534 1.213 7.718 1.00 0.00 N ATOM 231 CD2 HIS A 19 0.626 1.051 7.451 1.00 0.00 C ATOM 232 CE1 HIS A 19 -1.012 2.445 7.663 1.00 0.00 C ATOM 233 NE2 HIS A 19 0.296 2.401 7.502 1.00 0.00 N ATOM 0 H HIS A 19 0.719 -1.913 9.688 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.094 -1.178 9.207 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.255 -1.656 7.335 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.393 -1.440 6.779 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -2.521 0.984 7.837 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.623 0.655 7.325 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.587 3.356 7.740 1.00 0.00 H new ATOM 240 N THR A 20 -1.417 -4.028 9.739 1.00 0.00 N ATOM 241 CA THR A 20 -1.751 -5.450 9.663 1.00 0.00 C ATOM 242 C THR A 20 -3.266 -5.692 9.619 1.00 0.00 C ATOM 243 O THR A 20 -3.991 -5.332 10.547 1.00 0.00 O ATOM 244 CB THR A 20 -1.165 -6.216 10.867 1.00 0.00 C ATOM 245 OG1 THR A 20 0.234 -5.945 10.983 1.00 0.00 O ATOM 246 CG2 THR A 20 -1.374 -7.718 10.718 1.00 0.00 C ATOM 0 H THR A 20 -1.017 -3.736 10.631 1.00 0.00 H new ATOM 0 HA THR A 20 -1.313 -5.817 8.735 1.00 0.00 H new ATOM 0 HB THR A 20 -1.684 -5.879 11.764 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.368 -5.145 11.533 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.951 -8.232 11.581 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.441 -7.932 10.655 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.880 -8.066 9.811 1.00 0.00 H new ATOM 254 N LEU A 21 -3.724 -6.322 8.532 1.00 0.00 N ATOM 255 CA LEU A 21 -5.135 -6.663 8.343 1.00 0.00 C ATOM 256 C LEU A 21 -5.269 -7.650 7.186 1.00 0.00 C ATOM 257 O LEU A 21 -4.274 -7.986 6.544 1.00 0.00 O ATOM 258 CB LEU A 21 -5.976 -5.411 8.079 1.00 0.00 C ATOM 259 CG LEU A 21 -7.111 -5.168 9.082 1.00 0.00 C ATOM 260 CD1 LEU A 21 -7.051 -3.747 9.622 1.00 0.00 C ATOM 261 CD2 LEU A 21 -8.462 -5.439 8.438 1.00 0.00 C ATOM 0 H LEU A 21 -3.125 -6.610 7.758 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.508 -7.124 9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.317 -4.542 8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.404 -5.484 7.079 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.985 -5.858 9.916 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.864 -3.593 10.332 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.096 -3.588 10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.150 -3.040 8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.254 -5.261 9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.598 -4.775 7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.504 -6.475 8.102 1.00 0.00 H new ATOM 273 N LEU A 22 -6.488 -8.124 6.921 1.00 0.00 N ATOM 274 CA LEU A 22 -6.707 -9.092 5.840 1.00 0.00 C ATOM 275 C LEU A 22 -6.766 -8.430 4.460 1.00 0.00 C ATOM 276 O LEU A 22 -5.986 -8.770 3.572 1.00 0.00 O ATOM 277 CB LEU A 22 -7.997 -9.880 6.085 1.00 0.00 C ATOM 278 CG LEU A 22 -7.801 -11.309 6.599 1.00 0.00 C ATOM 279 CD1 LEU A 22 -7.246 -11.303 8.015 1.00 0.00 C ATOM 280 CD2 LEU A 22 -9.112 -12.078 6.543 1.00 0.00 C ATOM 0 H LEU A 22 -7.330 -7.859 7.432 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.851 -9.767 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.607 -9.333 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.562 -9.920 5.153 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.078 -11.808 5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.115 -12.329 8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.284 -10.791 8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.941 -10.785 8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.955 -13.092 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.855 -11.577 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.467 -12.117 5.513 1.00 0.00 H new ATOM 292 N PHE A 23 -7.694 -7.490 4.279 1.00 0.00 N ATOM 293 CA PHE A 23 -7.836 -6.793 2.995 1.00 0.00 C ATOM 294 C PHE A 23 -6.687 -5.814 2.780 1.00 0.00 C ATOM 295 O PHE A 23 -6.215 -5.610 1.660 1.00 0.00 O ATOM 296 CB PHE A 23 -9.174 -6.050 2.930 1.00 0.00 C ATOM 297 CG PHE A 23 -10.361 -6.962 2.787 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.077 -7.371 3.902 1.00 0.00 C ATOM 299 CD2 PHE A 23 -10.757 -7.413 1.538 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.166 -8.211 3.774 1.00 0.00 C ATOM 301 CE2 PHE A 23 -11.846 -8.252 1.404 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.551 -8.653 2.521 1.00 0.00 C ATOM 0 H PHE A 23 -8.355 -7.194 4.997 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.809 -7.541 2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.292 -5.452 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.155 -5.357 2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.780 -7.029 4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.208 -7.105 0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.716 -8.522 4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.146 -8.595 0.425 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.401 -9.310 2.417 1.00 0.00 H new ATOM 312 N ASP A 24 -6.258 -5.210 3.875 1.00 0.00 N ATOM 313 CA ASP A 24 -5.163 -4.250 3.872 1.00 0.00 C ATOM 314 C ASP A 24 -3.967 -4.829 4.610 1.00 0.00 C ATOM 315 O ASP A 24 -3.680 -4.428 5.730 1.00 0.00 O ATOM 316 CB ASP A 24 -5.563 -2.889 4.470 1.00 0.00 C ATOM 317 CG ASP A 24 -6.378 -2.983 5.747 1.00 0.00 C ATOM 318 OD1 ASP A 24 -7.430 -3.663 5.741 1.00 0.00 O ATOM 319 OD2 ASP A 24 -5.969 -2.368 6.753 1.00 0.00 O ATOM 0 H ASP A 24 -6.661 -5.372 4.798 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.896 -4.065 2.832 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.659 -2.314 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.136 -2.333 3.727 1.00 0.00 H new ATOM 324 N LEU A 25 -3.332 -5.826 3.994 1.00 0.00 N ATOM 325 CA LEU A 25 -2.163 -6.508 4.561 1.00 0.00 C ATOM 326 C LEU A 25 -1.116 -5.505 5.073 1.00 0.00 C ATOM 327 O LEU A 25 -1.108 -4.347 4.649 1.00 0.00 O ATOM 328 CB LEU A 25 -1.531 -7.415 3.497 1.00 0.00 C ATOM 329 CG LEU A 25 -2.396 -8.601 3.061 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.766 -9.325 1.883 1.00 0.00 C ATOM 331 CD2 LEU A 25 -2.623 -9.558 4.218 1.00 0.00 C ATOM 0 H LEU A 25 -3.614 -6.187 3.083 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.499 -7.105 5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.298 -6.812 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.585 -7.796 3.882 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.364 -8.213 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.398 -10.164 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.666 -8.636 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.781 -9.695 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.240 -10.392 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.663 -9.935 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.129 -9.034 5.029 1.00 0.00 H new ATOM 343 N PRO A 26 -0.233 -5.955 6.006 1.00 0.00 N ATOM 344 CA PRO A 26 0.837 -5.140 6.625 1.00 0.00 C ATOM 345 C PRO A 26 1.539 -4.167 5.663 1.00 0.00 C ATOM 346 O PRO A 26 1.438 -4.297 4.442 1.00 0.00 O ATOM 347 CB PRO A 26 1.840 -6.198 7.130 1.00 0.00 C ATOM 348 CG PRO A 26 1.248 -7.537 6.809 1.00 0.00 C ATOM 349 CD PRO A 26 -0.213 -7.313 6.556 1.00 0.00 C ATOM 0 HA PRO A 26 0.424 -4.490 7.396 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.809 -6.076 6.645 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.005 -6.094 8.202 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.730 -7.973 5.934 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.395 -8.233 7.635 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.620 -8.041 5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.800 -7.389 7.471 1.00 0.00 H new ATOM 357 N PRO A 27 2.310 -3.194 6.224 1.00 0.00 N ATOM 358 CA PRO A 27 3.026 -2.168 5.451 1.00 0.00 C ATOM 359 C PRO A 27 3.874 -2.707 4.303 1.00 0.00 C ATOM 360 O PRO A 27 4.378 -1.935 3.506 1.00 0.00 O ATOM 361 CB PRO A 27 3.927 -1.487 6.471 1.00 0.00 C ATOM 362 CG PRO A 27 3.239 -1.683 7.765 1.00 0.00 C ATOM 363 CD PRO A 27 2.528 -3.007 7.671 1.00 0.00 C ATOM 0 HA PRO A 27 2.305 -1.509 4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.922 -1.931 6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.052 -0.428 6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.953 -1.683 8.589 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.532 -0.875 7.956 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.129 -3.813 8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.585 -2.993 8.218 1.00 0.00 H new ATOM 371 N ALA A 28 4.040 -4.017 4.227 1.00 0.00 N ATOM 372 CA ALA A 28 4.826 -4.626 3.168 1.00 0.00 C ATOM 373 C ALA A 28 4.289 -4.214 1.796 1.00 0.00 C ATOM 374 O ALA A 28 5.063 -4.026 0.857 1.00 0.00 O ATOM 375 CB ALA A 28 4.817 -6.141 3.308 1.00 0.00 C ATOM 0 H ALA A 28 3.639 -4.681 4.889 1.00 0.00 H new ATOM 0 HA ALA A 28 5.854 -4.274 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.410 -6.584 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.243 -6.420 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.792 -6.506 3.245 1.00 0.00 H new ATOM 381 N LEU A 29 2.966 -4.078 1.674 1.00 0.00 N ATOM 382 CA LEU A 29 2.384 -3.673 0.396 1.00 0.00 C ATOM 383 C LEU A 29 1.843 -2.237 0.424 1.00 0.00 C ATOM 384 O LEU A 29 2.511 -1.319 -0.037 1.00 0.00 O ATOM 385 CB LEU A 29 1.277 -4.640 -0.023 1.00 0.00 C ATOM 386 CG LEU A 29 1.322 -5.046 -1.494 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.692 -5.602 -1.840 1.00 0.00 C ATOM 388 CD2 LEU A 29 0.236 -6.063 -1.802 1.00 0.00 C ATOM 0 H LEU A 29 2.294 -4.238 2.424 1.00 0.00 H new ATOM 0 HA LEU A 29 3.189 -3.704 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.343 -5.538 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.311 -4.181 0.186 1.00 0.00 H new ATOM 0 HG LEU A 29 1.141 -4.162 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.713 -5.889 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.451 -4.841 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.897 -6.476 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.285 -6.340 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.383 -6.950 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.740 -5.630 -1.586 1.00 0.00 H new ATOM 400 N LEU A 30 0.655 -2.038 0.998 1.00 0.00 N ATOM 401 CA LEU A 30 0.031 -0.709 1.043 1.00 0.00 C ATOM 402 C LEU A 30 0.864 0.321 1.811 1.00 0.00 C ATOM 403 O LEU A 30 1.098 1.415 1.306 1.00 0.00 O ATOM 404 CB LEU A 30 -1.373 -0.794 1.660 1.00 0.00 C ATOM 405 CG LEU A 30 -2.510 -0.218 0.803 1.00 0.00 C ATOM 406 CD1 LEU A 30 -3.830 -0.298 1.556 1.00 0.00 C ATOM 407 CD2 LEU A 30 -2.216 1.221 0.404 1.00 0.00 C ATOM 0 H LEU A 30 0.105 -2.776 1.438 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.034 -0.369 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.595 -1.840 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.362 -0.271 2.616 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.586 -0.814 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.627 0.114 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.053 -1.339 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.757 0.274 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.036 1.605 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.109 1.832 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.291 1.257 -0.172 1.00 0.00 H new ATOM 419 N GLY A 31 1.324 -0.028 3.009 1.00 0.00 N ATOM 420 CA GLY A 31 2.083 0.924 3.820 1.00 0.00 C ATOM 421 C GLY A 31 3.364 1.433 3.166 1.00 0.00 C ATOM 422 O GLY A 31 3.573 2.643 3.066 1.00 0.00 O ATOM 0 H GLY A 31 1.189 -0.945 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.444 1.777 4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.337 0.452 4.769 1.00 0.00 H new ATOM 426 N GLU A 32 4.209 0.519 2.712 1.00 0.00 N ATOM 427 CA GLU A 32 5.480 0.881 2.088 1.00 0.00 C ATOM 428 C GLU A 32 5.307 1.481 0.695 1.00 0.00 C ATOM 429 O GLU A 32 5.955 2.473 0.364 1.00 0.00 O ATOM 430 CB GLU A 32 6.395 -0.346 2.032 1.00 0.00 C ATOM 431 CG GLU A 32 7.835 -0.034 1.640 1.00 0.00 C ATOM 432 CD GLU A 32 8.068 -0.094 0.143 1.00 0.00 C ATOM 433 OE1 GLU A 32 7.318 -0.816 -0.546 1.00 0.00 O ATOM 434 OE2 GLU A 32 9.002 0.578 -0.340 1.00 0.00 O ATOM 0 H GLU A 32 4.039 -0.485 2.763 1.00 0.00 H new ATOM 0 HA GLU A 32 5.936 1.656 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.393 -0.832 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.983 -1.060 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.097 0.960 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.502 -0.741 2.134 1.00 0.00 H new ATOM 441 N LEU A 33 4.438 0.890 -0.119 1.00 0.00 N ATOM 442 CA LEU A 33 4.245 1.367 -1.485 1.00 0.00 C ATOM 443 C LEU A 33 3.598 2.755 -1.543 1.00 0.00 C ATOM 444 O LEU A 33 3.956 3.562 -2.396 1.00 0.00 O ATOM 445 CB LEU A 33 3.443 0.362 -2.317 1.00 0.00 C ATOM 446 CG LEU A 33 4.133 -0.991 -2.543 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.212 -1.947 -3.285 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.439 -0.816 -3.297 1.00 0.00 C ATOM 0 H LEU A 33 3.862 0.089 0.139 1.00 0.00 H new ATOM 0 HA LEU A 33 5.240 1.462 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.486 0.187 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.225 0.808 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 33 4.360 -1.420 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.720 -2.899 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.306 -2.107 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.948 -1.521 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.908 -1.789 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.241 -0.359 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.107 -0.174 -2.723 1.00 0.00 H new ATOM 460 N CYS A 34 2.640 3.038 -0.665 1.00 0.00 N ATOM 461 CA CYS A 34 1.987 4.348 -0.689 1.00 0.00 C ATOM 462 C CYS A 34 2.863 5.441 -0.064 1.00 0.00 C ATOM 463 O CYS A 34 2.817 6.592 -0.491 1.00 0.00 O ATOM 464 CB CYS A 34 0.626 4.310 0.018 1.00 0.00 C ATOM 465 SG CYS A 34 0.714 4.219 1.822 1.00 0.00 S ATOM 0 H CYS A 34 2.304 2.399 0.055 1.00 0.00 H new ATOM 0 HA CYS A 34 1.833 4.594 -1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.062 5.200 -0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.065 3.450 -0.349 1.00 0.00 H new ATOM 0 HG CYS A 34 0.927 2.989 2.185 1.00 0.00 H new ATOM 471 N ALA A 35 3.657 5.079 0.944 1.00 0.00 N ATOM 472 CA ALA A 35 4.508 6.055 1.625 1.00 0.00 C ATOM 473 C ALA A 35 5.859 6.277 0.938 1.00 0.00 C ATOM 474 O ALA A 35 6.201 7.405 0.581 1.00 0.00 O ATOM 475 CB ALA A 35 4.721 5.637 3.073 1.00 0.00 C ATOM 0 H ALA A 35 3.729 4.127 1.304 1.00 0.00 H new ATOM 0 HA ALA A 35 3.981 7.008 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.356 6.369 3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.758 5.583 3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.202 4.659 3.102 1.00 0.00 H new ATOM 481 N VAL A 36 6.622 5.201 0.759 1.00 0.00 N ATOM 482 CA VAL A 36 7.955 5.285 0.154 1.00 0.00 C ATOM 483 C VAL A 36 7.921 5.754 -1.303 1.00 0.00 C ATOM 484 O VAL A 36 8.700 6.626 -1.697 1.00 0.00 O ATOM 485 CB VAL A 36 8.696 3.929 0.250 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.988 3.944 -0.561 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.989 3.587 1.704 1.00 0.00 C ATOM 0 H VAL A 36 6.341 4.257 1.024 1.00 0.00 H new ATOM 0 HA VAL A 36 8.498 6.037 0.726 1.00 0.00 H new ATOM 0 HB VAL A 36 8.045 3.162 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.484 2.978 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.758 4.139 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.646 4.726 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.510 2.631 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.614 4.365 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.053 3.520 2.258 1.00 0.00 H new ATOM 497 N LEU A 37 7.009 5.201 -2.098 1.00 0.00 N ATOM 498 CA LEU A 37 6.924 5.560 -3.514 1.00 0.00 C ATOM 499 C LEU A 37 6.328 6.953 -3.694 1.00 0.00 C ATOM 500 O LEU A 37 6.449 7.550 -4.758 1.00 0.00 O ATOM 501 CB LEU A 37 6.118 4.528 -4.303 1.00 0.00 C ATOM 502 CG LEU A 37 6.601 3.082 -4.165 1.00 0.00 C ATOM 503 CD1 LEU A 37 5.791 2.171 -5.062 1.00 0.00 C ATOM 504 CD2 LEU A 37 8.085 2.965 -4.476 1.00 0.00 C ATOM 0 H LEU A 37 6.324 4.510 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 37 7.940 5.569 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.078 4.579 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.139 4.803 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 37 6.455 2.772 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.145 1.146 -4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.739 2.224 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.904 2.487 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.398 1.926 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.270 3.297 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.652 3.588 -3.784 1.00 0.00 H new ATOM 516 N ASP A 38 5.664 7.462 -2.662 1.00 0.00 N ATOM 517 CA ASP A 38 5.072 8.798 -2.712 1.00 0.00 C ATOM 518 C ASP A 38 6.145 9.854 -2.974 1.00 0.00 C ATOM 519 O ASP A 38 5.912 10.830 -3.682 1.00 0.00 O ATOM 520 CB ASP A 38 4.344 9.111 -1.401 1.00 0.00 C ATOM 521 CG ASP A 38 3.705 10.484 -1.401 1.00 0.00 C ATOM 522 OD1 ASP A 38 2.761 10.699 -2.184 1.00 0.00 O ATOM 523 OD2 ASP A 38 4.149 11.344 -0.610 1.00 0.00 O ATOM 0 H ASP A 38 5.521 6.971 -1.779 1.00 0.00 H new ATOM 0 HA ASP A 38 4.352 8.819 -3.530 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.576 8.357 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.050 9.043 -0.573 1.00 0.00 H new ATOM 528 N SER A 39 7.319 9.643 -2.390 1.00 0.00 N ATOM 529 CA SER A 39 8.441 10.567 -2.544 1.00 0.00 C ATOM 530 C SER A 39 9.238 10.274 -3.820 1.00 0.00 C ATOM 531 O SER A 39 10.274 10.892 -4.069 1.00 0.00 O ATOM 532 CB SER A 39 9.360 10.494 -1.319 1.00 0.00 C ATOM 533 OG SER A 39 9.943 9.206 -1.180 1.00 0.00 O ATOM 0 H SER A 39 7.521 8.835 -1.801 1.00 0.00 H new ATOM 0 HA SER A 39 8.034 11.575 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.147 11.243 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.791 10.735 -0.421 1.00 0.00 H new ATOM 0 HG SER A 39 9.333 8.530 -1.543 1.00 0.00 H new ATOM 539 N CYS A 40 8.751 9.322 -4.617 1.00 0.00 N ATOM 540 CA CYS A 40 9.412 8.932 -5.861 1.00 0.00 C ATOM 541 C CYS A 40 9.487 10.086 -6.854 1.00 0.00 C ATOM 542 O CYS A 40 8.549 10.870 -6.996 1.00 0.00 O ATOM 543 CB CYS A 40 8.690 7.753 -6.505 1.00 0.00 C ATOM 544 SG CYS A 40 9.440 7.183 -8.040 1.00 0.00 S ATOM 0 H CYS A 40 7.895 8.804 -4.420 1.00 0.00 H new ATOM 0 HA CYS A 40 10.430 8.641 -5.602 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.664 6.925 -5.796 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.656 8.037 -6.702 1.00 0.00 H new ATOM 0 HG CYS A 40 8.608 7.363 -9.023 1.00 0.00 H new ATOM 550 N ASP A 41 10.612 10.164 -7.548 1.00 0.00 N ATOM 551 CA ASP A 41 10.844 11.209 -8.535 1.00 0.00 C ATOM 552 C ASP A 41 11.379 10.595 -9.825 1.00 0.00 C ATOM 553 O ASP A 41 12.350 11.077 -10.407 1.00 0.00 O ATOM 554 CB ASP A 41 11.831 12.247 -7.995 1.00 0.00 C ATOM 555 CG ASP A 41 11.724 13.579 -8.713 1.00 0.00 C ATOM 556 OD1 ASP A 41 10.687 13.822 -9.367 1.00 0.00 O ATOM 557 OD2 ASP A 41 12.676 14.382 -8.617 1.00 0.00 O ATOM 0 H ASP A 41 11.387 9.509 -7.444 1.00 0.00 H new ATOM 0 HA ASP A 41 9.898 11.709 -8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.650 12.396 -6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.847 11.864 -8.095 1.00 0.00 H new ATOM 562 N GLY A 42 10.739 9.511 -10.255 1.00 0.00 N ATOM 563 CA GLY A 42 11.143 8.828 -11.473 1.00 0.00 C ATOM 564 C GLY A 42 12.107 7.679 -11.226 1.00 0.00 C ATOM 565 O GLY A 42 12.362 6.884 -12.130 1.00 0.00 O ATOM 0 H GLY A 42 9.942 9.090 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.256 8.447 -11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.610 9.547 -12.147 1.00 0.00 H new ATOM 569 N ALA A 43 12.649 7.592 -10.008 1.00 0.00 N ATOM 570 CA ALA A 43 13.585 6.519 -9.657 1.00 0.00 C ATOM 571 C ALA A 43 12.915 5.147 -9.729 1.00 0.00 C ATOM 572 O ALA A 43 13.497 4.183 -10.224 1.00 0.00 O ATOM 573 CB ALA A 43 14.159 6.754 -8.268 1.00 0.00 C ATOM 0 H ALA A 43 12.457 8.248 -9.251 1.00 0.00 H new ATOM 0 HA ALA A 43 14.397 6.532 -10.384 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.852 5.950 -8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.687 7.707 -8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.350 6.773 -7.538 1.00 0.00 H new ATOM 579 N LEU A 44 11.690 5.072 -9.221 1.00 0.00 N ATOM 580 CA LEU A 44 10.917 3.831 -9.239 1.00 0.00 C ATOM 581 C LEU A 44 9.673 4.005 -10.096 1.00 0.00 C ATOM 582 O LEU A 44 9.117 3.038 -10.615 1.00 0.00 O ATOM 583 CB LEU A 44 10.505 3.425 -7.816 1.00 0.00 C ATOM 584 CG LEU A 44 11.560 3.681 -6.730 1.00 0.00 C ATOM 585 CD1 LEU A 44 11.111 4.788 -5.788 1.00 0.00 C ATOM 586 CD2 LEU A 44 11.851 2.406 -5.954 1.00 0.00 C ATOM 0 H LEU A 44 11.207 5.860 -8.789 1.00 0.00 H new ATOM 0 HA LEU A 44 11.544 3.045 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.596 3.965 -7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.257 2.364 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 44 12.479 4.003 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.875 4.951 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.960 5.708 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.176 4.500 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.601 2.609 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.936 2.052 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.225 1.642 -6.636 1.00 0.00 H new ATOM 598 N GLY A 45 9.253 5.257 -10.245 1.00 0.00 N ATOM 599 CA GLY A 45 8.070 5.570 -11.012 1.00 0.00 C ATOM 600 C GLY A 45 6.801 5.326 -10.221 1.00 0.00 C ATOM 601 O GLY A 45 6.465 4.178 -9.938 1.00 0.00 O ATOM 0 H GLY A 45 9.721 6.068 -9.840 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.107 6.613 -11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.055 4.965 -11.918 1.00 0.00 H new ATOM 605 N TRP A 46 6.103 6.400 -9.841 1.00 0.00 N ATOM 606 CA TRP A 46 4.846 6.261 -9.091 1.00 0.00 C ATOM 607 C TRP A 46 3.883 5.320 -9.825 1.00 0.00 C ATOM 608 O TRP A 46 3.296 4.423 -9.226 1.00 0.00 O ATOM 609 CB TRP A 46 4.185 7.632 -8.874 1.00 0.00 C ATOM 610 CG TRP A 46 4.278 8.559 -10.053 1.00 0.00 C ATOM 611 CD1 TRP A 46 3.423 8.631 -11.115 1.00 0.00 C ATOM 612 CD2 TRP A 46 5.277 9.564 -10.278 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.838 9.600 -11.994 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.971 10.191 -11.500 1.00 0.00 C ATOM 615 CE3 TRP A 46 6.401 9.989 -9.566 1.00 0.00 C ATOM 616 CZ2 TRP A 46 5.748 11.220 -12.024 1.00 0.00 C ATOM 617 CZ3 TRP A 46 7.171 11.012 -10.088 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.841 11.618 -11.304 1.00 0.00 C ATOM 0 H TRP A 46 6.379 7.362 -10.035 1.00 0.00 H new ATOM 0 HA TRP A 46 5.079 5.832 -8.116 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.134 7.480 -8.628 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.648 8.113 -8.012 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.546 8.014 -11.245 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.378 9.841 -12.872 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.664 9.527 -8.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.497 11.687 -12.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 8.043 11.349 -9.547 1.00 0.00 H new ATOM 0 HH2 TRP A 46 7.462 12.417 -11.683 1.00 0.00 H new ATOM 629 N ARG A 47 3.718 5.547 -11.127 1.00 0.00 N ATOM 630 CA ARG A 47 2.864 4.706 -11.968 1.00 0.00 C ATOM 631 C ARG A 47 3.597 3.459 -12.445 1.00 0.00 C ATOM 632 O ARG A 47 3.040 2.688 -13.200 1.00 0.00 O ATOM 633 CB ARG A 47 2.321 5.465 -13.185 1.00 0.00 C ATOM 634 CG ARG A 47 3.399 6.006 -14.111 1.00 0.00 C ATOM 635 CD ARG A 47 2.798 6.795 -15.264 1.00 0.00 C ATOM 636 NE ARG A 47 3.825 7.324 -16.157 1.00 0.00 N ATOM 637 CZ ARG A 47 3.560 8.079 -17.221 1.00 0.00 C ATOM 638 NH1 ARG A 47 4.551 8.518 -17.985 1.00 0.00 N ATOM 639 NH2 ARG A 47 2.306 8.391 -17.520 1.00 0.00 N ATOM 0 H ARG A 47 4.169 6.313 -11.627 1.00 0.00 H new ATOM 0 HA ARG A 47 2.025 4.410 -11.339 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.669 4.801 -13.753 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.706 6.295 -12.837 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.078 6.645 -13.546 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.991 5.180 -14.504 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.121 6.154 -15.829 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.202 7.618 -14.869 1.00 0.00 H new ATOM 0 HE ARG A 47 4.800 7.103 -15.954 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.516 8.277 -17.757 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.349 9.096 -18.800 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.543 8.052 -16.934 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.105 8.970 -18.336 1.00 0.00 H new ATOM 653 N GLY A 48 4.841 3.273 -12.021 1.00 0.00 N ATOM 654 CA GLY A 48 5.617 2.127 -12.476 1.00 0.00 C ATOM 655 C GLY A 48 4.933 0.802 -12.204 1.00 0.00 C ATOM 656 O GLY A 48 5.004 -0.112 -13.021 1.00 0.00 O ATOM 0 H GLY A 48 5.328 3.891 -11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.801 2.222 -13.546 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.589 2.135 -11.984 1.00 0.00 H new ATOM 660 N LEU A 49 4.265 0.702 -11.067 1.00 0.00 N ATOM 661 CA LEU A 49 3.557 -0.520 -10.700 1.00 0.00 C ATOM 662 C LEU A 49 2.182 -0.576 -11.373 1.00 0.00 C ATOM 663 O LEU A 49 1.788 -1.612 -11.912 1.00 0.00 O ATOM 664 CB LEU A 49 3.407 -0.598 -9.182 1.00 0.00 C ATOM 665 CG LEU A 49 4.552 0.036 -8.383 1.00 0.00 C ATOM 666 CD1 LEU A 49 4.222 1.477 -8.027 1.00 0.00 C ATOM 667 CD2 LEU A 49 4.828 -0.777 -7.131 1.00 0.00 C ATOM 0 H LEU A 49 4.196 1.452 -10.379 1.00 0.00 H new ATOM 0 HA LEU A 49 4.139 -1.375 -11.045 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.474 -0.111 -8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.320 -1.646 -8.894 1.00 0.00 H new ATOM 0 HG LEU A 49 5.450 0.038 -9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.046 1.910 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.069 2.052 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.314 1.504 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.643 -0.318 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.932 -0.805 -6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.107 -1.793 -7.411 1.00 0.00 H new ATOM 679 N ALA A 50 1.459 0.545 -11.333 1.00 0.00 N ATOM 680 CA ALA A 50 0.130 0.635 -11.950 1.00 0.00 C ATOM 681 C ALA A 50 0.191 0.408 -13.459 1.00 0.00 C ATOM 682 O ALA A 50 -0.699 -0.215 -14.043 1.00 0.00 O ATOM 683 CB ALA A 50 -0.501 1.987 -11.659 1.00 0.00 C ATOM 0 H ALA A 50 1.770 1.404 -10.880 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.484 -0.153 -11.514 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.486 2.037 -12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.601 2.117 -10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.131 2.778 -12.063 1.00 0.00 H new ATOM 689 N GLU A 51 1.247 0.930 -14.076 1.00 0.00 N ATOM 690 CA GLU A 51 1.449 0.825 -15.514 1.00 0.00 C ATOM 691 C GLU A 51 1.529 -0.641 -15.956 1.00 0.00 C ATOM 692 O GLU A 51 0.940 -1.024 -16.966 1.00 0.00 O ATOM 693 CB GLU A 51 2.735 1.558 -15.919 1.00 0.00 C ATOM 694 CG GLU A 51 3.008 1.554 -17.418 1.00 0.00 C ATOM 695 CD GLU A 51 4.280 2.294 -17.785 1.00 0.00 C ATOM 696 OE1 GLU A 51 4.970 2.788 -16.867 1.00 0.00 O ATOM 697 OE2 GLU A 51 4.587 2.381 -18.992 1.00 0.00 O ATOM 0 H GLU A 51 1.987 1.438 -13.591 1.00 0.00 H new ATOM 0 HA GLU A 51 0.595 1.287 -16.009 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.676 2.590 -15.574 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.579 1.098 -15.406 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.079 0.524 -17.767 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.165 2.010 -17.938 1.00 0.00 H new ATOM 704 N ARG A 52 2.264 -1.455 -15.188 1.00 0.00 N ATOM 705 CA ARG A 52 2.414 -2.881 -15.496 1.00 0.00 C ATOM 706 C ARG A 52 1.075 -3.607 -15.412 1.00 0.00 C ATOM 707 O ARG A 52 0.796 -4.494 -16.218 1.00 0.00 O ATOM 708 CB ARG A 52 3.431 -3.552 -14.564 1.00 0.00 C ATOM 709 CG ARG A 52 4.817 -3.703 -15.178 1.00 0.00 C ATOM 710 CD ARG A 52 5.732 -2.557 -14.787 1.00 0.00 C ATOM 711 NE ARG A 52 6.812 -2.364 -15.753 1.00 0.00 N ATOM 712 CZ ARG A 52 7.421 -1.199 -15.950 1.00 0.00 C ATOM 713 NH1 ARG A 52 8.397 -1.103 -16.843 1.00 0.00 N ATOM 714 NH2 ARG A 52 7.055 -0.131 -15.252 1.00 0.00 N ATOM 0 H ARG A 52 2.762 -1.151 -14.352 1.00 0.00 H new ATOM 0 HA ARG A 52 2.785 -2.950 -16.518 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.511 -2.968 -13.647 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.058 -4.537 -14.283 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.257 -4.646 -14.855 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.731 -3.746 -16.264 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.149 -1.639 -14.707 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.157 -2.752 -13.802 1.00 0.00 H new ATOM 0 HE ARG A 52 7.114 -3.166 -16.305 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.680 -1.923 -17.379 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.864 -0.209 -16.994 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.306 -0.204 -14.564 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.523 0.762 -15.404 1.00 0.00 H new ATOM 728 N LEU A 53 0.258 -3.244 -14.422 1.00 0.00 N ATOM 729 CA LEU A 53 -1.055 -3.865 -14.264 1.00 0.00 C ATOM 730 C LEU A 53 -1.952 -3.507 -15.450 1.00 0.00 C ATOM 731 O LEU A 53 -2.735 -4.336 -15.918 1.00 0.00 O ATOM 732 CB LEU A 53 -1.710 -3.461 -12.934 1.00 0.00 C ATOM 733 CG LEU A 53 -2.953 -4.277 -12.559 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.921 -4.654 -11.088 1.00 0.00 C ATOM 735 CD2 LEU A 53 -4.228 -3.512 -12.889 1.00 0.00 C ATOM 0 H LEU A 53 0.480 -2.532 -13.726 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.921 -4.947 -14.243 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.973 -3.560 -12.137 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.985 -2.408 -12.985 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.947 -5.193 -13.150 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.811 -5.233 -10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.032 -5.251 -10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.897 -3.749 -10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.095 -4.113 -12.613 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.244 -2.575 -12.333 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.259 -3.300 -13.958 1.00 0.00 H new ATOM 747 N SER A 54 -1.828 -2.259 -15.921 1.00 0.00 N ATOM 748 CA SER A 54 -2.595 -1.761 -17.069 1.00 0.00 C ATOM 749 C SER A 54 -4.099 -1.721 -16.790 1.00 0.00 C ATOM 750 O SER A 54 -4.872 -2.487 -17.369 1.00 0.00 O ATOM 751 CB SER A 54 -2.311 -2.605 -18.316 1.00 0.00 C ATOM 752 OG SER A 54 -0.946 -2.514 -18.694 1.00 0.00 O ATOM 0 H SER A 54 -1.195 -1.568 -15.518 1.00 0.00 H new ATOM 0 HA SER A 54 -2.269 -0.736 -17.248 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.569 -3.646 -18.121 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.943 -2.269 -19.138 1.00 0.00 H new ATOM 0 HG SER A 54 -0.456 -1.992 -18.025 1.00 0.00 H new ATOM 758 N SER A 55 -4.500 -0.826 -15.893 1.00 0.00 N ATOM 759 CA SER A 55 -5.907 -0.662 -15.537 1.00 0.00 C ATOM 760 C SER A 55 -6.710 -0.123 -16.726 1.00 0.00 C ATOM 761 O SER A 55 -6.162 0.528 -17.613 1.00 0.00 O ATOM 762 CB SER A 55 -6.045 0.286 -14.346 1.00 0.00 C ATOM 763 OG SER A 55 -5.360 -0.213 -13.212 1.00 0.00 O ATOM 0 H SER A 55 -3.867 -0.199 -15.396 1.00 0.00 H new ATOM 0 HA SER A 55 -6.304 -1.640 -15.264 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.649 1.267 -14.611 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.100 0.422 -14.106 1.00 0.00 H new ATOM 0 HG SER A 55 -5.463 0.414 -12.466 1.00 0.00 H new ATOM 769 N SER A 56 -8.009 -0.410 -16.735 1.00 0.00 N ATOM 770 CA SER A 56 -8.893 0.031 -17.811 1.00 0.00 C ATOM 771 C SER A 56 -9.069 1.552 -17.817 1.00 0.00 C ATOM 772 O SER A 56 -8.968 2.204 -16.773 1.00 0.00 O ATOM 773 CB SER A 56 -10.257 -0.648 -17.675 1.00 0.00 C ATOM 774 OG SER A 56 -10.134 -2.057 -17.761 1.00 0.00 O ATOM 0 H SER A 56 -8.475 -0.949 -16.005 1.00 0.00 H new ATOM 0 HA SER A 56 -8.431 -0.254 -18.756 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.709 -0.376 -16.721 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.925 -0.289 -18.458 1.00 0.00 H new ATOM 0 HG SER A 56 -11.019 -2.469 -17.670 1.00 0.00 H new ATOM 780 N TRP A 57 -9.335 2.095 -19.012 1.00 0.00 N ATOM 781 CA TRP A 57 -9.539 3.537 -19.221 1.00 0.00 C ATOM 782 C TRP A 57 -8.248 4.327 -19.002 1.00 0.00 C ATOM 783 O TRP A 57 -7.152 3.768 -19.032 1.00 0.00 O ATOM 784 CB TRP A 57 -10.660 4.070 -18.316 1.00 0.00 C ATOM 785 CG TRP A 57 -12.002 3.469 -18.605 1.00 0.00 C ATOM 786 CD1 TRP A 57 -12.661 2.533 -17.860 1.00 0.00 C ATOM 787 CD2 TRP A 57 -12.851 3.760 -19.724 1.00 0.00 C ATOM 788 NE1 TRP A 57 -13.865 2.225 -18.444 1.00 0.00 N ATOM 789 CE2 TRP A 57 -14.005 2.965 -19.590 1.00 0.00 C ATOM 790 CE3 TRP A 57 -12.747 4.617 -20.823 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -15.046 3.002 -20.514 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -13.780 4.653 -21.741 1.00 0.00 C ATOM 793 CH2 TRP A 57 -14.916 3.850 -21.581 1.00 0.00 C ATOM 0 H TRP A 57 -9.415 1.544 -19.867 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.840 3.675 -20.260 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.400 3.874 -17.276 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -10.724 5.152 -18.430 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.289 2.098 -16.944 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -14.545 1.555 -18.084 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -11.875 5.240 -20.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -15.924 2.384 -20.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -13.710 5.311 -22.595 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.707 3.901 -22.315 1.00 0.00 H new ATOM 804 N LEU A 58 -8.380 5.635 -18.790 1.00 0.00 N ATOM 805 CA LEU A 58 -7.219 6.494 -18.576 1.00 0.00 C ATOM 806 C LEU A 58 -7.004 6.763 -17.093 1.00 0.00 C ATOM 807 O LEU A 58 -7.233 7.873 -16.608 1.00 0.00 O ATOM 808 CB LEU A 58 -7.385 7.816 -19.332 1.00 0.00 C ATOM 809 CG LEU A 58 -6.537 7.956 -20.602 1.00 0.00 C ATOM 810 CD1 LEU A 58 -7.026 7.004 -21.683 1.00 0.00 C ATOM 811 CD2 LEU A 58 -6.564 9.392 -21.102 1.00 0.00 C ATOM 0 H LEU A 58 -9.276 6.121 -18.762 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.341 5.974 -18.961 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.435 7.932 -19.601 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.137 8.635 -18.657 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.507 7.694 -20.358 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.411 7.120 -22.575 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.954 5.978 -21.323 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.064 7.232 -21.926 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.957 9.475 -22.004 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.591 9.679 -21.328 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.163 10.053 -20.333 1.00 0.00 H new ATOM 823 N ASP A 59 -6.548 5.738 -16.377 1.00 0.00 N ATOM 824 CA ASP A 59 -6.292 5.851 -14.941 1.00 0.00 C ATOM 825 C ASP A 59 -5.074 6.728 -14.662 1.00 0.00 C ATOM 826 O ASP A 59 -4.907 7.231 -13.553 1.00 0.00 O ATOM 827 CB ASP A 59 -6.087 4.467 -14.312 1.00 0.00 C ATOM 828 CG ASP A 59 -4.879 3.739 -14.872 1.00 0.00 C ATOM 829 OD1 ASP A 59 -5.035 3.031 -15.887 1.00 0.00 O ATOM 830 OD2 ASP A 59 -3.780 3.882 -14.302 1.00 0.00 O ATOM 0 H ASP A 59 -6.347 4.817 -16.768 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.167 6.320 -14.491 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.972 4.577 -13.234 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.979 3.862 -14.477 1.00 0.00 H new ATOM 835 N VAL A 60 -4.231 6.909 -15.678 1.00 0.00 N ATOM 836 CA VAL A 60 -3.018 7.711 -15.543 1.00 0.00 C ATOM 837 C VAL A 60 -3.320 9.165 -15.181 1.00 0.00 C ATOM 838 O VAL A 60 -2.519 9.820 -14.512 1.00 0.00 O ATOM 839 CB VAL A 60 -2.167 7.675 -16.829 1.00 0.00 C ATOM 840 CG1 VAL A 60 -1.548 6.297 -17.020 1.00 0.00 C ATOM 841 CG2 VAL A 60 -2.994 8.061 -18.050 1.00 0.00 C ATOM 0 H VAL A 60 -4.368 6.509 -16.606 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.453 7.262 -14.726 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.366 8.407 -16.721 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.951 6.290 -17.932 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.911 6.063 -16.167 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.339 5.551 -17.098 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.366 8.026 -18.940 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.823 7.363 -18.163 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.385 9.070 -17.921 1.00 0.00 H new ATOM 851 N ASP A 61 -4.467 9.670 -15.630 1.00 0.00 N ATOM 852 CA ASP A 61 -4.866 11.042 -15.325 1.00 0.00 C ATOM 853 C ASP A 61 -5.066 11.211 -13.822 1.00 0.00 C ATOM 854 O ASP A 61 -4.669 12.220 -13.238 1.00 0.00 O ATOM 855 CB ASP A 61 -6.151 11.412 -16.070 1.00 0.00 C ATOM 856 CG ASP A 61 -5.933 11.611 -17.556 1.00 0.00 C ATOM 857 OD1 ASP A 61 -4.762 11.706 -17.982 1.00 0.00 O ATOM 858 OD2 ASP A 61 -6.935 11.673 -18.297 1.00 0.00 O ATOM 0 H ASP A 61 -5.133 9.153 -16.203 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.071 11.711 -15.655 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.892 10.627 -15.918 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.563 12.326 -15.642 1.00 0.00 H new ATOM 863 N HIS A 62 -5.678 10.203 -13.206 1.00 0.00 N ATOM 864 CA HIS A 62 -5.931 10.207 -11.773 1.00 0.00 C ATOM 865 C HIS A 62 -4.639 9.947 -10.996 1.00 0.00 C ATOM 866 O HIS A 62 -4.506 10.359 -9.841 1.00 0.00 O ATOM 867 CB HIS A 62 -6.996 9.169 -11.413 1.00 0.00 C ATOM 868 CG HIS A 62 -7.804 9.538 -10.207 1.00 0.00 C ATOM 869 ND1 HIS A 62 -8.646 10.627 -10.153 1.00 0.00 N ATOM 870 CD2 HIS A 62 -7.896 8.938 -8.992 1.00 0.00 C ATOM 871 CE1 HIS A 62 -9.207 10.655 -8.938 1.00 0.00 C ATOM 872 NE2 HIS A 62 -8.785 9.651 -8.195 1.00 0.00 N ATOM 0 H HIS A 62 -6.010 9.366 -13.685 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.304 11.192 -11.493 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.666 9.037 -12.263 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.512 8.209 -11.236 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.363 8.048 -8.692 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -9.913 11.403 -8.609 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.055 9.441 -7.234 1.00 0.00 H new ATOM 879 N ILE A 63 -3.687 9.256 -11.639 1.00 0.00 N ATOM 880 CA ILE A 63 -2.395 8.960 -11.014 1.00 0.00 C ATOM 881 C ILE A 63 -1.681 10.263 -10.647 1.00 0.00 C ATOM 882 O ILE A 63 -1.100 10.394 -9.569 1.00 0.00 O ATOM 883 CB ILE A 63 -1.484 8.102 -11.932 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.040 6.680 -12.066 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.056 8.062 -11.402 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.327 5.841 -13.105 1.00 0.00 C ATOM 0 H ILE A 63 -3.789 8.894 -12.587 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.594 8.380 -10.113 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.469 8.566 -12.918 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.971 6.180 -11.100 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.098 6.736 -12.321 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.561 7.454 -12.064 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.345 9.075 -11.360 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.051 7.628 -10.402 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.776 4.849 -13.142 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.417 6.317 -14.081 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.273 5.753 -12.841 1.00 0.00 H new ATOM 898 N GLU A 64 -1.712 11.218 -11.563 1.00 0.00 N ATOM 899 CA GLU A 64 -1.099 12.518 -11.332 1.00 0.00 C ATOM 900 C GLU A 64 -1.851 13.299 -10.248 1.00 0.00 C ATOM 901 O GLU A 64 -1.250 14.029 -9.463 1.00 0.00 O ATOM 902 CB GLU A 64 -1.071 13.326 -12.633 1.00 0.00 C ATOM 903 CG GLU A 64 -0.102 12.776 -13.671 1.00 0.00 C ATOM 904 CD GLU A 64 -0.212 13.483 -15.009 1.00 0.00 C ATOM 905 OE1 GLU A 64 -1.189 14.233 -15.209 1.00 0.00 O ATOM 906 OE2 GLU A 64 0.685 13.286 -15.857 1.00 0.00 O ATOM 0 H GLU A 64 -2.156 11.118 -12.476 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.078 12.354 -10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.074 13.347 -13.060 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.800 14.357 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.917 12.872 -13.297 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.291 11.712 -13.811 1.00 0.00 H new ATOM 913 N LYS A 65 -3.174 13.146 -10.229 1.00 0.00 N ATOM 914 CA LYS A 65 -4.033 13.859 -9.280 1.00 0.00 C ATOM 915 C LYS A 65 -3.772 13.517 -7.800 1.00 0.00 C ATOM 916 O LYS A 65 -3.628 14.424 -6.979 1.00 0.00 O ATOM 917 CB LYS A 65 -5.497 13.560 -9.614 1.00 0.00 C ATOM 918 CG LYS A 65 -5.959 14.174 -10.928 1.00 0.00 C ATOM 919 CD LYS A 65 -7.405 13.815 -11.234 1.00 0.00 C ATOM 920 CE LYS A 65 -7.869 14.441 -12.540 1.00 0.00 C ATOM 921 NZ LYS A 65 -9.280 14.089 -12.854 1.00 0.00 N ATOM 0 H LYS A 65 -3.680 12.529 -10.865 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.798 14.918 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.638 12.480 -9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.128 13.931 -8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.854 15.258 -10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.318 13.827 -11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.508 12.731 -11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.045 14.153 -10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.770 15.525 -12.478 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.223 14.108 -13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.558 14.535 -13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.370 13.056 -12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.901 14.429 -12.092 1.00 0.00 H new ATOM 935 N GLU A 66 -3.705 12.230 -7.447 1.00 0.00 N ATOM 936 CA GLU A 66 -3.489 11.855 -6.040 1.00 0.00 C ATOM 937 C GLU A 66 -2.011 11.716 -5.671 1.00 0.00 C ATOM 938 O GLU A 66 -1.698 11.458 -4.512 1.00 0.00 O ATOM 939 CB GLU A 66 -4.242 10.576 -5.636 1.00 0.00 C ATOM 940 CG GLU A 66 -5.588 10.400 -6.327 1.00 0.00 C ATOM 941 CD GLU A 66 -6.447 9.343 -5.662 1.00 0.00 C ATOM 942 OE1 GLU A 66 -7.119 9.670 -4.662 1.00 0.00 O ATOM 943 OE2 GLU A 66 -6.443 8.187 -6.134 1.00 0.00 O ATOM 0 H GLU A 66 -3.794 11.446 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.902 12.690 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.615 9.713 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.398 10.585 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.121 11.351 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.425 10.128 -7.370 1.00 0.00 H new ATOM 950 N VAL A 67 -1.102 11.858 -6.639 1.00 0.00 N ATOM 951 CA VAL A 67 0.329 11.722 -6.349 1.00 0.00 C ATOM 952 C VAL A 67 0.767 12.703 -5.250 1.00 0.00 C ATOM 953 O VAL A 67 1.632 12.389 -4.435 1.00 0.00 O ATOM 954 CB VAL A 67 1.204 11.900 -7.621 1.00 0.00 C ATOM 955 CG1 VAL A 67 1.338 13.364 -8.024 1.00 0.00 C ATOM 956 CG2 VAL A 67 2.576 11.272 -7.419 1.00 0.00 C ATOM 0 H VAL A 67 -1.324 12.063 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 67 0.483 10.705 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 67 0.698 11.385 -8.437 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.958 13.440 -8.918 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.350 13.776 -8.231 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.802 13.924 -7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.174 11.407 -8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.075 11.752 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.462 10.207 -7.215 1.00 0.00 H new ATOM 966 N ASP A 68 0.147 13.883 -5.224 1.00 0.00 N ATOM 967 CA ASP A 68 0.449 14.894 -4.210 1.00 0.00 C ATOM 968 C ASP A 68 -0.443 14.711 -2.980 1.00 0.00 C ATOM 969 O ASP A 68 -0.298 15.418 -1.986 1.00 0.00 O ATOM 970 CB ASP A 68 0.269 16.306 -4.775 1.00 0.00 C ATOM 971 CG ASP A 68 1.346 16.684 -5.775 1.00 0.00 C ATOM 972 OD1 ASP A 68 2.380 15.988 -5.830 1.00 0.00 O ATOM 973 OD2 ASP A 68 1.150 17.680 -6.505 1.00 0.00 O ATOM 0 H ASP A 68 -0.569 14.163 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 68 1.490 14.766 -3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.707 16.378 -5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.274 17.024 -3.955 1.00 0.00 H new ATOM 978 N GLN A 69 -1.369 13.760 -3.069 1.00 0.00 N ATOM 979 CA GLN A 69 -2.317 13.485 -1.991 1.00 0.00 C ATOM 980 C GLN A 69 -1.980 12.191 -1.247 1.00 0.00 C ATOM 981 O GLN A 69 -2.845 11.598 -0.601 1.00 0.00 O ATOM 982 CB GLN A 69 -3.743 13.400 -2.546 1.00 0.00 C ATOM 983 CG GLN A 69 -4.210 14.669 -3.245 1.00 0.00 C ATOM 984 CD GLN A 69 -4.219 15.877 -2.329 1.00 0.00 C ATOM 985 OE1 GLN A 69 -4.867 15.873 -1.285 1.00 0.00 O ATOM 986 NE2 GLN A 69 -3.501 16.924 -2.716 1.00 0.00 N ATOM 0 H GLN A 69 -1.484 13.160 -3.886 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.246 14.309 -1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.800 12.568 -3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.428 13.174 -1.728 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.559 14.869 -4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.213 14.512 -3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.977 16.888 -3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.474 17.765 -2.139 1.00 0.00 H new ATOM 995 N GLY A 70 -0.727 11.755 -1.328 1.00 0.00 N ATOM 996 CA GLY A 70 -0.331 10.532 -0.648 1.00 0.00 C ATOM 997 C GLY A 70 -0.160 9.333 -1.567 1.00 0.00 C ATOM 998 O GLY A 70 -0.266 8.197 -1.102 1.00 0.00 O ATOM 0 H GLY A 70 0.017 12.221 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.608 10.710 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.079 10.292 0.108 1.00 0.00 H new ATOM 1002 N LYS A 71 0.059 9.606 -2.866 1.00 0.00 N ATOM 1003 CA LYS A 71 0.306 8.581 -3.905 1.00 0.00 C ATOM 1004 C LYS A 71 -0.972 8.180 -4.633 1.00 0.00 C ATOM 1005 O LYS A 71 -2.047 8.091 -4.046 1.00 0.00 O ATOM 1006 CB LYS A 71 0.999 7.322 -3.346 1.00 0.00 C ATOM 1007 CG LYS A 71 1.145 6.172 -4.351 1.00 0.00 C ATOM 1008 CD LYS A 71 1.956 6.574 -5.579 1.00 0.00 C ATOM 1009 CE LYS A 71 3.398 6.842 -5.227 1.00 0.00 C ATOM 1010 NZ LYS A 71 3.839 8.188 -5.682 1.00 0.00 N ATOM 0 H LYS A 71 0.070 10.558 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 71 0.982 9.052 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.989 7.599 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.434 6.965 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.626 5.325 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.156 5.839 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.904 5.782 -6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.519 7.465 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.529 6.763 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.031 6.080 -5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.877 8.240 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.508 8.351 -6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.440 8.915 -5.054 1.00 0.00 H new ATOM 1024 N SER A 72 -0.830 7.964 -5.931 1.00 0.00 N ATOM 1025 CA SER A 72 -1.926 7.536 -6.774 1.00 0.00 C ATOM 1026 C SER A 72 -1.489 6.366 -7.646 1.00 0.00 C ATOM 1027 O SER A 72 -2.292 5.517 -8.002 1.00 0.00 O ATOM 1028 CB SER A 72 -2.390 8.679 -7.652 1.00 0.00 C ATOM 1029 OG SER A 72 -3.725 8.482 -8.082 1.00 0.00 O ATOM 0 H SER A 72 0.053 8.082 -6.428 1.00 0.00 H new ATOM 0 HA SER A 72 -2.751 7.220 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.316 9.617 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.734 8.765 -8.519 1.00 0.00 H new ATOM 0 HG SER A 72 -3.976 9.194 -8.707 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.205 6.319 -7.986 1.00 0.00 N ATOM 1036 CA GLY A 73 0.282 5.237 -8.816 1.00 0.00 C ATOM 1037 C GLY A 73 0.038 3.880 -8.191 1.00 0.00 C ATOM 1038 O GLY A 73 -0.567 3.005 -8.809 1.00 0.00 O ATOM 0 H GLY A 73 0.498 7.002 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.207 5.280 -9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.350 5.368 -8.990 1.00 0.00 H new ATOM 1042 N THR A 74 0.495 3.700 -6.966 1.00 0.00 N ATOM 1043 CA THR A 74 0.290 2.450 -6.268 1.00 0.00 C ATOM 1044 C THR A 74 -0.989 2.466 -5.438 1.00 0.00 C ATOM 1045 O THR A 74 -1.754 1.501 -5.428 1.00 0.00 O ATOM 1046 CB THR A 74 1.471 2.116 -5.341 1.00 0.00 C ATOM 1047 OG1 THR A 74 2.583 2.969 -5.636 1.00 0.00 O ATOM 1048 CG2 THR A 74 1.878 0.660 -5.499 1.00 0.00 C ATOM 0 H THR A 74 1.010 4.404 -6.436 1.00 0.00 H new ATOM 0 HA THR A 74 0.208 1.685 -7.040 1.00 0.00 H new ATOM 0 HB THR A 74 1.159 2.280 -4.310 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.815 3.491 -4.840 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.715 0.442 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.036 0.017 -5.244 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.176 0.475 -6.531 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.206 3.584 -4.742 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.349 3.739 -3.848 1.00 0.00 C ATOM 1058 C ARG A 75 -3.684 3.599 -4.575 1.00 0.00 C ATOM 1059 O ARG A 75 -4.557 2.867 -4.121 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.293 5.100 -3.148 1.00 0.00 C ATOM 1061 CG ARG A 75 -3.338 5.257 -2.058 1.00 0.00 C ATOM 1062 CD ARG A 75 -3.236 6.604 -1.366 1.00 0.00 C ATOM 1063 NE ARG A 75 -4.229 6.748 -0.303 1.00 0.00 N ATOM 1064 CZ ARG A 75 -4.358 7.842 0.439 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -5.284 7.896 1.387 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -3.561 8.882 0.232 1.00 0.00 N ATOM 0 H ARG A 75 -0.597 4.401 -4.783 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.285 2.936 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.302 5.238 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.429 5.888 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.333 5.145 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.218 4.461 -1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.237 6.722 -0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.371 7.400 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.857 5.965 -0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.898 7.097 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.382 8.736 1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.849 8.842 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.660 9.722 0.802 1.00 0.00 H new ATOM 1080 N GLU A 76 -3.834 4.282 -5.710 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.077 4.219 -6.479 1.00 0.00 C ATOM 1082 C GLU A 76 -5.336 2.801 -6.971 1.00 0.00 C ATOM 1083 O GLU A 76 -6.469 2.325 -6.950 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.033 5.178 -7.671 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.295 5.163 -8.515 1.00 0.00 C ATOM 1086 CD GLU A 76 -6.165 5.967 -9.793 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -5.092 6.563 -10.019 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -7.137 5.993 -10.575 1.00 0.00 O ATOM 0 H GLU A 76 -3.115 4.882 -6.115 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.890 4.519 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.864 6.191 -7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.182 4.921 -8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.545 4.132 -8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.123 5.558 -7.927 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.275 2.139 -7.422 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.376 0.776 -7.931 1.00 0.00 C ATOM 1097 C LEU A 77 -4.880 -0.172 -6.841 1.00 0.00 C ATOM 1098 O LEU A 77 -5.775 -0.983 -7.072 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.004 0.318 -8.442 1.00 0.00 C ATOM 1100 CG LEU A 77 -2.958 -1.087 -9.046 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -3.847 -1.160 -10.277 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -1.527 -1.471 -9.390 1.00 0.00 C ATOM 0 H LEU A 77 -3.332 2.527 -7.445 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.092 0.758 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.661 1.029 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.295 0.362 -7.615 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.333 -1.797 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.805 -2.165 -10.697 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.874 -0.926 -9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.500 -0.442 -11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.512 -2.473 -9.819 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.124 -0.761 -10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.918 -1.454 -8.486 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.296 -0.060 -5.649 1.00 0.00 N ATOM 1115 CA LEU A 78 -4.685 -0.899 -4.516 1.00 0.00 C ATOM 1116 C LEU A 78 -6.069 -0.495 -3.980 1.00 0.00 C ATOM 1117 O LEU A 78 -6.889 -1.343 -3.633 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.622 -0.801 -3.404 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.214 -1.250 -3.816 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.237 -1.076 -2.663 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.225 -2.696 -4.293 1.00 0.00 C ATOM 0 H LEU A 78 -3.550 0.605 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.749 -1.933 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.572 0.232 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.947 -1.405 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.886 -0.621 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.244 -1.400 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.201 -0.026 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.565 -1.677 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.216 -2.992 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.578 -3.342 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.889 -2.791 -5.152 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.321 0.813 -3.954 1.00 0.00 N ATOM 1134 CA TRP A 79 -7.580 1.381 -3.448 1.00 0.00 C ATOM 1135 C TRP A 79 -8.753 1.203 -4.425 1.00 0.00 C ATOM 1136 O TRP A 79 -9.891 1.535 -4.092 1.00 0.00 O ATOM 1137 CB TRP A 79 -7.387 2.872 -3.142 1.00 0.00 C ATOM 1138 CG TRP A 79 -8.325 3.413 -2.102 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -9.449 4.155 -2.322 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.209 3.267 -0.683 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -10.044 4.472 -1.125 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -9.302 3.939 -0.102 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -7.289 2.630 0.157 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -9.501 3.992 1.274 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -7.486 2.684 1.526 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -8.584 3.360 2.072 1.00 0.00 C ATOM 0 H TRP A 79 -5.658 1.515 -4.283 1.00 0.00 H new ATOM 0 HA TRP A 79 -7.834 0.834 -2.540 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -6.362 3.033 -2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -7.517 3.440 -4.063 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -9.817 4.450 -3.294 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -10.900 5.016 -1.015 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.440 2.105 -0.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -10.347 4.512 1.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.781 2.197 2.184 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -8.711 3.384 3.144 1.00 0.00 H new ATOM 1157 N SER A 80 -8.480 0.695 -5.624 1.00 0.00 N ATOM 1158 CA SER A 80 -9.521 0.525 -6.644 1.00 0.00 C ATOM 1159 C SER A 80 -10.674 -0.367 -6.172 1.00 0.00 C ATOM 1160 O SER A 80 -11.832 -0.084 -6.471 1.00 0.00 O ATOM 1161 CB SER A 80 -8.921 -0.053 -7.929 1.00 0.00 C ATOM 1162 OG SER A 80 -8.043 0.875 -8.546 1.00 0.00 O ATOM 0 H SER A 80 -7.550 0.393 -5.916 1.00 0.00 H new ATOM 0 HA SER A 80 -9.931 1.516 -6.837 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.381 -0.972 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.721 -0.317 -8.621 1.00 0.00 H new ATOM 0 HG SER A 80 -7.396 1.201 -7.886 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.367 -1.447 -5.458 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.420 -2.337 -4.970 1.00 0.00 C ATOM 1170 C TRP A 81 -11.960 -1.852 -3.620 1.00 0.00 C ATOM 1171 O TRP A 81 -12.916 -1.081 -3.566 1.00 0.00 O ATOM 1172 CB TRP A 81 -10.892 -3.769 -4.851 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.644 -4.423 -6.178 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.444 -4.549 -6.817 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -11.619 -5.040 -7.025 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -9.614 -5.209 -8.011 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -10.941 -5.521 -8.160 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.001 -5.236 -6.934 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -11.596 -6.183 -9.197 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -13.650 -5.893 -7.960 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -12.949 -6.359 -9.079 1.00 0.00 C ATOM 0 H TRP A 81 -9.418 -1.725 -5.208 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.239 -2.325 -5.689 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.964 -3.760 -4.279 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.608 -4.367 -4.287 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.500 -4.184 -6.440 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -8.874 -5.430 -8.677 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.551 -4.879 -6.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -11.057 -6.543 -10.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -14.717 -6.050 -7.899 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.487 -6.868 -9.865 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.351 -2.322 -2.535 1.00 0.00 N ATOM 1193 CA ALA A 82 -11.747 -1.910 -1.192 1.00 0.00 C ATOM 1194 C ALA A 82 -10.680 -0.990 -0.611 1.00 0.00 C ATOM 1195 O ALA A 82 -10.773 0.232 -0.706 1.00 0.00 O ATOM 1196 CB ALA A 82 -11.967 -3.126 -0.299 1.00 0.00 C ATOM 0 H ALA A 82 -10.580 -2.990 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.691 -1.367 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.261 -2.797 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.754 -3.751 -0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.043 -3.701 -0.233 1.00 0.00 H new ATOM 1202 N GLN A 83 -9.668 -1.597 0.000 1.00 0.00 N ATOM 1203 CA GLN A 83 -8.545 -0.855 0.549 1.00 0.00 C ATOM 1204 C GLN A 83 -7.310 -1.192 -0.273 1.00 0.00 C ATOM 1205 O GLN A 83 -6.633 -0.308 -0.793 1.00 0.00 O ATOM 1206 CB GLN A 83 -8.330 -1.188 2.027 1.00 0.00 C ATOM 1207 CG GLN A 83 -9.489 -0.758 2.916 1.00 0.00 C ATOM 1208 CD GLN A 83 -9.220 -1.007 4.386 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -8.188 -0.598 4.915 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -10.147 -1.679 5.053 1.00 0.00 N ATOM 0 H GLN A 83 -9.605 -2.607 0.127 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.747 0.215 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.180 -2.262 2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.417 -0.703 2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.686 0.303 2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.389 -1.296 2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.988 -2.000 4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.019 -1.876 6.046 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.010 -2.487 -0.361 1.00 0.00 N ATOM 1220 CA LYS A 84 -5.907 -2.958 -1.186 1.00 0.00 C ATOM 1221 C LYS A 84 -6.372 -4.143 -2.038 1.00 0.00 C ATOM 1222 O LYS A 84 -6.097 -4.202 -3.236 1.00 0.00 O ATOM 1223 CB LYS A 84 -4.697 -3.343 -0.319 1.00 0.00 C ATOM 1224 CG LYS A 84 -3.656 -4.172 -1.056 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.336 -4.243 -0.308 1.00 0.00 C ATOM 1226 CE LYS A 84 -2.488 -4.931 1.038 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.223 -6.220 0.921 1.00 0.00 N ATOM 0 H LYS A 84 -7.516 -3.225 0.129 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.591 -2.151 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.226 -2.434 0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.046 -3.902 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.040 -5.181 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.488 -3.744 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.605 -4.781 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.947 -3.236 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.502 -5.112 1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.018 -4.272 1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.814 -6.914 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.225 -6.071 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.144 -6.577 -0.053 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.102 -5.068 -1.393 1.00 0.00 N ATOM 1242 CA ASN A 85 -7.662 -6.266 -2.046 1.00 0.00 C ATOM 1243 C ASN A 85 -6.622 -6.988 -2.904 1.00 0.00 C ATOM 1244 O ASN A 85 -6.941 -7.540 -3.960 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.884 -5.903 -2.893 1.00 0.00 C ATOM 1246 CG ASN A 85 -9.789 -7.099 -3.136 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -10.020 -7.904 -2.233 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -10.305 -7.223 -4.351 1.00 0.00 N ATOM 0 H ASN A 85 -7.322 -5.007 -0.399 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.970 -6.948 -1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.450 -5.117 -2.393 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.554 -5.499 -3.850 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.919 -8.008 -4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.088 -6.533 -5.070 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.383 -6.990 -2.442 1.00 0.00 N ATOM 1256 CA LYS A 86 -4.290 -7.625 -3.165 1.00 0.00 C ATOM 1257 C LYS A 86 -3.390 -8.359 -2.188 1.00 0.00 C ATOM 1258 O LYS A 86 -3.504 -8.175 -0.979 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.475 -6.575 -3.931 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.624 -6.648 -5.445 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.928 -6.022 -5.915 1.00 0.00 C ATOM 1262 CE LYS A 86 -5.375 -6.596 -7.249 1.00 0.00 C ATOM 1263 NZ LYS A 86 -4.360 -6.380 -8.316 1.00 0.00 N ATOM 0 H LYS A 86 -5.106 -6.555 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.707 -8.335 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.776 -5.583 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.422 -6.692 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.785 -6.138 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.585 -7.689 -5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.703 -6.190 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.802 -4.943 -6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.564 -7.664 -7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.317 -6.134 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.757 -6.663 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.097 -5.374 -8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.516 -6.952 -8.113 1.00 0.00 H new ATOM 1277 N THR A 87 -2.496 -9.188 -2.701 1.00 0.00 N ATOM 1278 CA THR A 87 -1.586 -9.915 -1.838 1.00 0.00 C ATOM 1279 C THR A 87 -0.146 -9.517 -2.130 1.00 0.00 C ATOM 1280 O THR A 87 0.168 -9.029 -3.221 1.00 0.00 O ATOM 1281 CB THR A 87 -1.739 -11.442 -1.980 1.00 0.00 C ATOM 1282 OG1 THR A 87 -1.397 -11.852 -3.311 1.00 0.00 O ATOM 1283 CG2 THR A 87 -3.162 -11.881 -1.660 1.00 0.00 C ATOM 0 H THR A 87 -2.383 -9.372 -3.698 1.00 0.00 H new ATOM 0 HA THR A 87 -1.841 -9.649 -0.812 1.00 0.00 H new ATOM 0 HB THR A 87 -1.062 -11.915 -1.269 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.131 -11.629 -3.921 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.242 -12.963 -1.768 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.408 -11.599 -0.636 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.856 -11.396 -2.347 1.00 0.00 H new ATOM 1291 N ILE A 88 0.722 -9.733 -1.148 1.00 0.00 N ATOM 1292 CA ILE A 88 2.134 -9.389 -1.264 1.00 0.00 C ATOM 1293 C ILE A 88 2.795 -10.125 -2.433 1.00 0.00 C ATOM 1294 O ILE A 88 3.605 -9.544 -3.154 1.00 0.00 O ATOM 1295 CB ILE A 88 2.866 -9.666 0.078 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.916 -8.380 0.915 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.270 -10.220 -0.137 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.572 -7.947 1.454 1.00 0.00 C ATOM 0 H ILE A 88 0.468 -10.150 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 88 2.212 -8.323 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 88 2.302 -10.429 0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.601 -8.528 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.327 -7.576 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.743 -10.398 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.211 -11.157 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.862 -9.501 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.690 -7.032 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.889 -7.765 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.166 -8.731 2.093 1.00 0.00 H new ATOM 1310 N GLY A 89 2.432 -11.391 -2.628 1.00 0.00 N ATOM 1311 CA GLY A 89 2.998 -12.172 -3.720 1.00 0.00 C ATOM 1312 C GLY A 89 2.660 -11.607 -5.092 1.00 0.00 C ATOM 1313 O GLY A 89 3.505 -11.596 -5.989 1.00 0.00 O ATOM 0 H GLY A 89 1.756 -11.891 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.081 -12.213 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.632 -13.197 -3.655 1.00 0.00 H new ATOM 1317 N ASP A 90 1.418 -11.149 -5.258 1.00 0.00 N ATOM 1318 CA ASP A 90 0.960 -10.584 -6.534 1.00 0.00 C ATOM 1319 C ASP A 90 1.715 -9.308 -6.905 1.00 0.00 C ATOM 1320 O ASP A 90 2.068 -9.107 -8.064 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.542 -10.293 -6.483 1.00 0.00 C ATOM 1322 CG ASP A 90 -1.388 -11.552 -6.514 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.845 -12.627 -6.851 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -2.592 -11.465 -6.194 1.00 0.00 O ATOM 0 H ASP A 90 0.708 -11.157 -4.525 1.00 0.00 H new ATOM 0 HA ASP A 90 1.164 -11.330 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.768 -9.732 -5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.813 -9.658 -7.327 1.00 0.00 H new ATOM 1329 N LEU A 91 1.963 -8.453 -5.915 1.00 0.00 N ATOM 1330 CA LEU A 91 2.674 -7.195 -6.155 1.00 0.00 C ATOM 1331 C LEU A 91 4.185 -7.415 -6.192 1.00 0.00 C ATOM 1332 O LEU A 91 4.912 -6.638 -6.809 1.00 0.00 O ATOM 1333 CB LEU A 91 2.328 -6.156 -5.082 1.00 0.00 C ATOM 1334 CG LEU A 91 1.703 -4.847 -5.591 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.527 -4.257 -6.727 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.267 -5.078 -6.037 1.00 0.00 C ATOM 0 H LEU A 91 1.685 -8.605 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 91 2.352 -6.819 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.639 -6.612 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.238 -5.912 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 91 1.698 -4.132 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.064 -3.332 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.537 -4.049 -6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.571 -4.968 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.158 -4.140 -6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.250 -5.814 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.320 -5.446 -5.196 1.00 0.00 H new ATOM 1348 N LEU A 92 4.644 -8.482 -5.541 1.00 0.00 N ATOM 1349 CA LEU A 92 6.069 -8.806 -5.487 1.00 0.00 C ATOM 1350 C LEU A 92 6.632 -9.019 -6.889 1.00 0.00 C ATOM 1351 O LEU A 92 7.730 -8.559 -7.200 1.00 0.00 O ATOM 1352 CB LEU A 92 6.290 -10.061 -4.636 1.00 0.00 C ATOM 1353 CG LEU A 92 7.747 -10.508 -4.483 1.00 0.00 C ATOM 1354 CD1 LEU A 92 8.569 -9.431 -3.790 1.00 0.00 C ATOM 1355 CD2 LEU A 92 7.823 -11.817 -3.713 1.00 0.00 C ATOM 0 H LEU A 92 4.047 -9.140 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 92 6.594 -7.967 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.877 -9.882 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.721 -10.881 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 92 8.164 -10.668 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.601 -9.768 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.541 -8.516 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.154 -9.237 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.865 -12.120 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.388 -11.682 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.271 -12.588 -4.250 1.00 0.00 H new ATOM 1367 N GLN A 93 5.870 -9.714 -7.730 1.00 0.00 N ATOM 1368 CA GLN A 93 6.284 -9.983 -9.104 1.00 0.00 C ATOM 1369 C GLN A 93 6.446 -8.673 -9.880 1.00 0.00 C ATOM 1370 O GLN A 93 7.391 -8.508 -10.652 1.00 0.00 O ATOM 1371 CB GLN A 93 5.245 -10.873 -9.785 1.00 0.00 C ATOM 1372 CG GLN A 93 5.200 -12.285 -9.226 1.00 0.00 C ATOM 1373 CD GLN A 93 4.025 -13.083 -9.750 1.00 0.00 C ATOM 1374 OE1 GLN A 93 4.066 -13.619 -10.857 1.00 0.00 O ATOM 1375 NE2 GLN A 93 2.964 -13.160 -8.958 1.00 0.00 N ATOM 0 H GLN A 93 4.960 -10.102 -7.483 1.00 0.00 H new ATOM 0 HA GLN A 93 7.246 -10.496 -9.091 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.261 -10.417 -9.679 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.461 -10.920 -10.852 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.126 -12.801 -9.479 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.147 -12.239 -8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.973 -12.700 -8.048 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.139 -13.679 -9.259 1.00 0.00 H new ATOM 1384 N VAL A 94 5.511 -7.752 -9.660 1.00 0.00 N ATOM 1385 CA VAL A 94 5.544 -6.441 -10.304 1.00 0.00 C ATOM 1386 C VAL A 94 6.742 -5.633 -9.798 1.00 0.00 C ATOM 1387 O VAL A 94 7.438 -4.971 -10.572 1.00 0.00 O ATOM 1388 CB VAL A 94 4.234 -5.658 -10.040 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.330 -4.229 -10.559 1.00 0.00 C ATOM 1390 CG2 VAL A 94 3.047 -6.380 -10.662 1.00 0.00 C ATOM 0 H VAL A 94 4.716 -7.891 -9.036 1.00 0.00 H new ATOM 0 HA VAL A 94 5.642 -6.596 -11.378 1.00 0.00 H new ATOM 0 HB VAL A 94 4.083 -5.609 -8.962 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.395 -3.706 -10.359 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.149 -3.714 -10.057 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.515 -4.244 -11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.135 -5.816 -10.467 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.197 -6.466 -11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.958 -7.375 -10.227 1.00 0.00 H new ATOM 1400 N LEU A 95 6.975 -5.712 -8.486 1.00 0.00 N ATOM 1401 CA LEU A 95 8.075 -5.000 -7.838 1.00 0.00 C ATOM 1402 C LEU A 95 9.421 -5.463 -8.389 1.00 0.00 C ATOM 1403 O LEU A 95 10.329 -4.655 -8.602 1.00 0.00 O ATOM 1404 CB LEU A 95 8.035 -5.248 -6.327 1.00 0.00 C ATOM 1405 CG LEU A 95 6.841 -4.636 -5.589 1.00 0.00 C ATOM 1406 CD1 LEU A 95 6.781 -5.143 -4.157 1.00 0.00 C ATOM 1407 CD2 LEU A 95 6.916 -3.120 -5.609 1.00 0.00 C ATOM 0 H LEU A 95 6.408 -6.269 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 95 7.960 -3.935 -8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.034 -6.324 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.952 -4.855 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 95 5.931 -4.942 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.926 -4.697 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.676 -6.228 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.697 -4.868 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.058 -2.706 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.835 -2.795 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.909 -2.769 -6.641 1.00 0.00 H new ATOM 1419 N GLN A 96 9.543 -6.772 -8.601 1.00 0.00 N ATOM 1420 CA GLN A 96 10.768 -7.361 -9.133 1.00 0.00 C ATOM 1421 C GLN A 96 11.042 -6.891 -10.559 1.00 0.00 C ATOM 1422 O GLN A 96 12.190 -6.642 -10.922 1.00 0.00 O ATOM 1423 CB GLN A 96 10.682 -8.890 -9.098 1.00 0.00 C ATOM 1424 CG GLN A 96 10.732 -9.474 -7.694 1.00 0.00 C ATOM 1425 CD GLN A 96 10.436 -10.961 -7.672 1.00 0.00 C ATOM 1426 OE1 GLN A 96 9.689 -11.471 -8.508 1.00 0.00 O ATOM 1427 NE2 GLN A 96 11.018 -11.668 -6.714 1.00 0.00 N ATOM 0 H GLN A 96 8.803 -7.448 -8.411 1.00 0.00 H new ATOM 0 HA GLN A 96 11.593 -7.030 -8.502 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.756 -9.204 -9.580 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.502 -9.305 -9.684 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.718 -9.297 -7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.012 -8.954 -7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.630 -11.207 -6.041 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.854 -12.673 -6.650 1.00 0.00 H new ATOM 1436 N GLU A 97 9.982 -6.785 -11.364 1.00 0.00 N ATOM 1437 CA GLU A 97 10.116 -6.354 -12.755 1.00 0.00 C ATOM 1438 C GLU A 97 10.682 -4.935 -12.849 1.00 0.00 C ATOM 1439 O GLU A 97 11.611 -4.682 -13.616 1.00 0.00 O ATOM 1440 CB GLU A 97 8.753 -6.422 -13.462 1.00 0.00 C ATOM 1441 CG GLU A 97 8.792 -6.012 -14.931 1.00 0.00 C ATOM 1442 CD GLU A 97 9.621 -6.950 -15.791 1.00 0.00 C ATOM 1443 OE1 GLU A 97 9.857 -8.101 -15.363 1.00 0.00 O ATOM 1444 OE2 GLU A 97 10.031 -6.534 -16.895 1.00 0.00 O ATOM 0 H GLU A 97 9.025 -6.991 -11.077 1.00 0.00 H new ATOM 0 HA GLU A 97 10.815 -7.029 -13.248 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.369 -7.439 -13.390 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.050 -5.778 -12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.774 -5.977 -15.319 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.198 -5.003 -15.010 1.00 0.00 H new ATOM 1451 N MET A 98 10.108 -4.012 -12.081 1.00 0.00 N ATOM 1452 CA MET A 98 10.569 -2.627 -12.082 1.00 0.00 C ATOM 1453 C MET A 98 11.916 -2.479 -11.373 1.00 0.00 C ATOM 1454 O MET A 98 12.784 -1.728 -11.819 1.00 0.00 O ATOM 1455 CB MET A 98 9.529 -1.703 -11.447 1.00 0.00 C ATOM 1456 CG MET A 98 9.835 -0.225 -11.651 1.00 0.00 C ATOM 1457 SD MET A 98 9.833 0.248 -13.392 1.00 0.00 S ATOM 1458 CE MET A 98 10.552 1.887 -13.300 1.00 0.00 C ATOM 0 H MET A 98 9.326 -4.197 -11.453 1.00 0.00 H new ATOM 0 HA MET A 98 10.705 -2.334 -13.123 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.549 -1.926 -11.869 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.471 -1.911 -10.379 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.098 0.373 -11.115 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.808 0.004 -11.217 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.990 2.147 -14.264 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.777 2.611 -13.047 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.327 1.902 -12.534 1.00 0.00 H new ATOM 1468 N GLY A 99 12.088 -3.199 -10.268 1.00 0.00 N ATOM 1469 CA GLY A 99 13.330 -3.118 -9.521 1.00 0.00 C ATOM 1470 C GLY A 99 13.195 -2.330 -8.229 1.00 0.00 C ATOM 1471 O GLY A 99 14.085 -1.555 -7.873 1.00 0.00 O ATOM 0 H GLY A 99 11.392 -3.835 -9.878 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.676 -4.126 -9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.093 -2.654 -10.145 1.00 0.00 H new ATOM 1475 N HIS A 100 12.081 -2.522 -7.524 1.00 0.00 N ATOM 1476 CA HIS A 100 11.838 -1.822 -6.261 1.00 0.00 C ATOM 1477 C HIS A 100 12.623 -2.472 -5.121 1.00 0.00 C ATOM 1478 O HIS A 100 12.109 -3.344 -4.421 1.00 0.00 O ATOM 1479 CB HIS A 100 10.347 -1.832 -5.916 1.00 0.00 C ATOM 1480 CG HIS A 100 9.500 -0.972 -6.800 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.023 -1.363 -8.031 1.00 0.00 N ATOM 1482 CD2 HIS A 100 9.023 0.281 -6.598 1.00 0.00 C ATOM 1483 CE1 HIS A 100 8.288 -0.356 -8.524 1.00 0.00 C ATOM 1484 NE2 HIS A 100 8.258 0.665 -7.691 1.00 0.00 N ATOM 0 H HIS A 100 11.332 -3.156 -7.805 1.00 0.00 H new ATOM 0 HA HIS A 100 12.172 -0.792 -6.384 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.981 -2.857 -5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.224 -1.503 -4.884 1.00 0.00 H new ATOM 0 HD2 HIS A 100 9.209 0.886 -5.723 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.786 -0.378 -9.480 1.00 0.00 H new ATOM 0 HE2 HIS A 100 7.773 1.553 -7.822 1.00 0.00 H new ATOM 1491 N ARG A 101 13.866 -2.030 -4.938 1.00 0.00 N ATOM 1492 CA ARG A 101 14.742 -2.574 -3.899 1.00 0.00 C ATOM 1493 C ARG A 101 14.203 -2.342 -2.486 1.00 0.00 C ATOM 1494 O ARG A 101 14.246 -3.245 -1.649 1.00 0.00 O ATOM 1495 CB ARG A 101 16.128 -1.943 -4.018 1.00 0.00 C ATOM 1496 CG ARG A 101 16.900 -2.392 -5.250 1.00 0.00 C ATOM 1497 CD ARG A 101 18.347 -1.926 -5.204 1.00 0.00 C ATOM 1498 NE ARG A 101 18.460 -0.469 -5.258 1.00 0.00 N ATOM 1499 CZ ARG A 101 18.523 0.231 -6.389 1.00 0.00 C ATOM 1500 NH1 ARG A 101 18.629 1.552 -6.345 1.00 0.00 N ATOM 1501 NH2 ARG A 101 18.477 -0.390 -7.561 1.00 0.00 N ATOM 0 H ARG A 101 14.292 -1.292 -5.499 1.00 0.00 H new ATOM 0 HA ARG A 101 14.792 -3.652 -4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.023 -0.858 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.707 -2.188 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.869 -3.479 -5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.419 -1.999 -6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.816 -2.291 -4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.894 -2.362 -6.040 1.00 0.00 H new ATOM 0 HE ARG A 101 18.493 0.042 -4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.662 2.031 -5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.677 2.089 -7.211 1.00 0.00 H new ATOM 0 HH21 ARG A 101 18.393 -1.406 -7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 101 18.525 0.149 -8.426 1.00 0.00 H new ATOM 1515 N ARG A 102 13.690 -1.140 -2.223 1.00 0.00 N ATOM 1516 CA ARG A 102 13.149 -0.812 -0.899 1.00 0.00 C ATOM 1517 C ARG A 102 11.943 -1.686 -0.572 1.00 0.00 C ATOM 1518 O ARG A 102 11.787 -2.161 0.555 1.00 0.00 O ATOM 1519 CB ARG A 102 12.753 0.665 -0.817 1.00 0.00 C ATOM 1520 CG ARG A 102 12.232 1.074 0.555 1.00 0.00 C ATOM 1521 CD ARG A 102 13.334 1.060 1.602 1.00 0.00 C ATOM 1522 NE ARG A 102 14.369 2.053 1.325 1.00 0.00 N ATOM 1523 CZ ARG A 102 15.504 2.149 2.012 1.00 0.00 C ATOM 1524 NH1 ARG A 102 16.394 3.081 1.698 1.00 0.00 N ATOM 1525 NH2 ARG A 102 15.749 1.311 3.012 1.00 0.00 N ATOM 0 H ARG A 102 13.637 -0.381 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 102 13.934 -1.005 -0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.617 1.280 -1.068 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.987 0.871 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.798 2.072 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 102 11.434 0.397 0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.902 1.252 2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.785 0.068 1.640 1.00 0.00 H new ATOM 0 HE ARG A 102 14.212 2.710 0.561 1.00 0.00 H new ATOM 0 HH11 ARG A 102 16.208 3.725 0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.264 3.154 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 102 15.067 0.593 3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 102 16.620 1.385 3.538 1.00 0.00 H new ATOM 1539 N ALA A 103 11.097 -1.893 -1.576 1.00 0.00 N ATOM 1540 CA ALA A 103 9.899 -2.707 -1.422 1.00 0.00 C ATOM 1541 C ALA A 103 10.266 -4.137 -1.040 1.00 0.00 C ATOM 1542 O ALA A 103 9.578 -4.768 -0.245 1.00 0.00 O ATOM 1543 CB ALA A 103 9.079 -2.694 -2.701 1.00 0.00 C ATOM 0 H ALA A 103 11.222 -1.505 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 103 9.297 -2.281 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.188 -3.307 -2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.784 -1.671 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.676 -3.095 -3.520 1.00 0.00 H new ATOM 1549 N ILE A 104 11.352 -4.637 -1.627 1.00 0.00 N ATOM 1550 CA ILE A 104 11.831 -5.989 -1.348 1.00 0.00 C ATOM 1551 C ILE A 104 12.198 -6.138 0.131 1.00 0.00 C ATOM 1552 O ILE A 104 11.863 -7.137 0.767 1.00 0.00 O ATOM 1553 CB ILE A 104 13.059 -6.340 -2.226 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.669 -6.367 -3.708 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.660 -7.679 -1.814 1.00 0.00 C ATOM 1556 CD1 ILE A 104 11.600 -7.387 -4.046 1.00 0.00 C ATOM 0 H ILE A 104 11.919 -4.123 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 104 11.022 -6.680 -1.587 1.00 0.00 H new ATOM 0 HB ILE A 104 13.813 -5.567 -2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.317 -5.377 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.558 -6.577 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.520 -7.902 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.978 -7.630 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.913 -8.464 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 104 11.380 -7.344 -5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 104 11.955 -8.385 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 104 10.695 -7.167 -3.480 1.00 0.00 H new ATOM 1568 N HIS A 105 12.895 -5.143 0.675 1.00 0.00 N ATOM 1569 CA HIS A 105 13.297 -5.171 2.081 1.00 0.00 C ATOM 1570 C HIS A 105 12.085 -5.132 3.015 1.00 0.00 C ATOM 1571 O HIS A 105 12.046 -5.849 4.015 1.00 0.00 O ATOM 1572 CB HIS A 105 14.231 -4.000 2.398 1.00 0.00 C ATOM 1573 CG HIS A 105 15.608 -4.152 1.826 1.00 0.00 C ATOM 1574 ND1 HIS A 105 16.550 -5.026 2.322 1.00 0.00 N ATOM 1575 CD2 HIS A 105 16.197 -3.517 0.780 1.00 0.00 C ATOM 1576 CE1 HIS A 105 17.660 -4.895 1.581 1.00 0.00 C ATOM 1577 NE2 HIS A 105 17.498 -3.993 0.631 1.00 0.00 N ATOM 0 H HIS A 105 13.193 -4.310 0.167 1.00 0.00 H new ATOM 0 HA HIS A 105 13.826 -6.109 2.248 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.788 -3.080 2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.307 -3.891 3.480 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.731 -2.763 0.162 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.569 -5.455 1.741 1.00 0.00 H new ATOM 0 HE2 HIS A 105 18.183 -3.704 -0.067 1.00 0.00 H new ATOM 1584 N LEU A 106 11.094 -4.307 2.681 1.00 0.00 N ATOM 1585 CA LEU A 106 9.889 -4.179 3.508 1.00 0.00 C ATOM 1586 C LEU A 106 8.897 -5.325 3.282 1.00 0.00 C ATOM 1587 O LEU A 106 8.068 -5.610 4.149 1.00 0.00 O ATOM 1588 CB LEU A 106 9.201 -2.840 3.239 1.00 0.00 C ATOM 1589 CG LEU A 106 9.149 -1.872 4.427 1.00 0.00 C ATOM 1590 CD1 LEU A 106 8.743 -2.593 5.704 1.00 0.00 C ATOM 1591 CD2 LEU A 106 10.488 -1.174 4.608 1.00 0.00 C ATOM 0 H LEU A 106 11.099 -3.718 1.848 1.00 0.00 H new ATOM 0 HA LEU A 106 10.212 -4.227 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.715 -2.347 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.181 -3.036 2.908 1.00 0.00 H new ATOM 0 HG LEU A 106 8.392 -1.117 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.714 -1.882 6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.756 -3.037 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.467 -3.377 5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.431 -0.491 5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.264 -1.917 4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.730 -0.612 3.706 1.00 0.00 H new ATOM 1603 N ILE A 107 8.975 -5.976 2.125 1.00 0.00 N ATOM 1604 CA ILE A 107 8.070 -7.079 1.796 1.00 0.00 C ATOM 1605 C ILE A 107 8.262 -8.265 2.750 1.00 0.00 C ATOM 1606 O ILE A 107 7.368 -9.098 2.913 1.00 0.00 O ATOM 1607 CB ILE A 107 8.239 -7.537 0.320 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.910 -8.034 -0.242 1.00 0.00 C ATOM 1609 CG2 ILE A 107 9.302 -8.621 0.181 1.00 0.00 C ATOM 1610 CD1 ILE A 107 6.000 -6.918 -0.707 1.00 0.00 C ATOM 0 H ILE A 107 9.656 -5.760 1.397 1.00 0.00 H new ATOM 0 HA ILE A 107 7.054 -6.704 1.919 1.00 0.00 H new ATOM 0 HB ILE A 107 8.569 -6.670 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 107 7.106 -8.706 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.396 -8.617 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.389 -8.913 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.260 -8.238 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.018 -9.488 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 107 5.073 -7.342 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.775 -6.259 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.495 -6.348 -1.493 1.00 0.00 H new ATOM 1622 N THR A 108 9.428 -8.322 3.393 1.00 0.00 N ATOM 1623 CA THR A 108 9.747 -9.397 4.326 1.00 0.00 C ATOM 1624 C THR A 108 9.018 -9.224 5.662 1.00 0.00 C ATOM 1625 O THR A 108 9.021 -10.128 6.498 1.00 0.00 O ATOM 1626 CB THR A 108 11.264 -9.484 4.593 1.00 0.00 C ATOM 1627 OG1 THR A 108 11.727 -8.285 5.230 1.00 0.00 O ATOM 1628 CG2 THR A 108 12.033 -9.702 3.297 1.00 0.00 C ATOM 0 H THR A 108 10.170 -7.631 3.282 1.00 0.00 H new ATOM 0 HA THR A 108 9.411 -10.320 3.854 1.00 0.00 H new ATOM 0 HB THR A 108 11.441 -10.334 5.252 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.737 -7.552 4.580 1.00 0.00 H new ATOM 0 HG21 THR A 108 13.100 -9.760 3.512 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.706 -10.632 2.832 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.844 -8.871 2.618 1.00 0.00 H new ATOM 1636 N ASN A 109 8.384 -8.069 5.855 1.00 0.00 N ATOM 1637 CA ASN A 109 7.665 -7.791 7.099 1.00 0.00 C ATOM 1638 C ASN A 109 6.210 -8.255 7.032 1.00 0.00 C ATOM 1639 O ASN A 109 5.433 -7.996 7.951 1.00 0.00 O ATOM 1640 CB ASN A 109 7.729 -6.299 7.436 1.00 0.00 C ATOM 1641 CG ASN A 109 9.113 -5.865 7.875 1.00 0.00 C ATOM 1642 OD1 ASN A 109 9.870 -5.282 7.102 1.00 0.00 O ATOM 1643 ND2 ASN A 109 9.454 -6.146 9.127 1.00 0.00 N ATOM 0 H ASN A 109 8.353 -7.313 5.170 1.00 0.00 H new ATOM 0 HA ASN A 109 8.157 -8.356 7.891 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.429 -5.719 6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.013 -6.077 8.228 1.00 0.00 H new ATOM 0 HD21 ASN A 109 10.373 -5.876 9.478 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.797 -6.632 9.738 1.00 0.00 H new ATOM 1650 N TYR A 110 5.842 -8.918 5.936 1.00 0.00 N ATOM 1651 CA TYR A 110 4.481 -9.436 5.765 1.00 0.00 C ATOM 1652 C TYR A 110 4.131 -10.441 6.864 1.00 0.00 C ATOM 1653 O TYR A 110 3.073 -10.345 7.489 1.00 0.00 O ATOM 1654 CB TYR A 110 4.332 -10.082 4.380 1.00 0.00 C ATOM 1655 CG TYR A 110 3.052 -10.875 4.192 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.818 -10.246 4.047 1.00 0.00 C ATOM 1657 CD2 TYR A 110 3.084 -12.265 4.154 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.662 -10.982 3.870 1.00 0.00 C ATOM 1659 CE2 TYR A 110 1.931 -13.002 3.977 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.724 -12.357 3.837 1.00 0.00 C ATOM 1661 OH TYR A 110 -0.428 -13.089 3.659 1.00 0.00 O ATOM 0 H TYR A 110 6.466 -9.110 5.152 1.00 0.00 H new ATOM 0 HA TYR A 110 3.786 -8.600 5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 110 4.375 -9.300 3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.182 -10.742 4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.764 -9.168 4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 110 4.029 -12.777 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.288 -10.480 3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.976 -14.081 3.948 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.215 -13.926 3.195 1.00 0.00 H new ATOM 1671 N GLY A 111 5.018 -11.402 7.093 1.00 0.00 N ATOM 1672 CA GLY A 111 4.777 -12.398 8.119 1.00 0.00 C ATOM 1673 C GLY A 111 5.537 -13.683 7.870 1.00 0.00 C ATOM 1674 O GLY A 111 6.251 -13.807 6.875 1.00 0.00 O ATOM 0 H GLY A 111 5.898 -11.509 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.064 -11.992 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.710 -12.614 8.167 1.00 0.00 H new ATOM 1678 N ALA A 112 5.383 -14.643 8.779 1.00 0.00 N ATOM 1679 CA ALA A 112 6.056 -15.932 8.662 1.00 0.00 C ATOM 1680 C ALA A 112 5.138 -16.984 8.043 1.00 0.00 C ATOM 1681 O ALA A 112 5.510 -18.151 7.916 1.00 0.00 O ATOM 1682 CB ALA A 112 6.550 -16.398 10.024 1.00 0.00 C ATOM 0 H ALA A 112 4.795 -14.551 9.608 1.00 0.00 H new ATOM 0 HA ALA A 112 6.913 -15.803 8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 112 7.050 -17.361 9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 112 7.251 -15.667 10.426 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.703 -16.500 10.703 1.00 0.00 H new ATOM 1688 N VAL A 113 3.936 -16.566 7.662 1.00 0.00 N ATOM 1689 CA VAL A 113 2.959 -17.473 7.070 1.00 0.00 C ATOM 1690 C VAL A 113 2.457 -16.944 5.726 1.00 0.00 C ATOM 1691 O VAL A 113 2.541 -15.747 5.451 1.00 0.00 O ATOM 1692 CB VAL A 113 1.758 -17.703 8.015 1.00 0.00 C ATOM 1693 CG1 VAL A 113 2.196 -18.452 9.265 1.00 0.00 C ATOM 1694 CG2 VAL A 113 1.107 -16.378 8.392 1.00 0.00 C ATOM 0 H VAL A 113 3.614 -15.602 7.753 1.00 0.00 H new ATOM 0 HA VAL A 113 3.465 -18.425 6.909 1.00 0.00 H new ATOM 0 HB VAL A 113 1.022 -18.310 7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.337 -18.604 9.918 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.613 -19.419 8.983 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.953 -17.870 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.264 -16.563 9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.836 -15.745 8.898 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.754 -15.876 7.491 1.00 0.00 H new ATOM 1704 N LEU A 114 1.949 -17.852 4.893 1.00 0.00 N ATOM 1705 CA LEU A 114 1.440 -17.495 3.567 1.00 0.00 C ATOM 1706 C LEU A 114 0.217 -16.579 3.643 1.00 0.00 C ATOM 1707 O LEU A 114 0.081 -15.648 2.851 1.00 0.00 O ATOM 1708 CB LEU A 114 1.089 -18.759 2.777 1.00 0.00 C ATOM 1709 CG LEU A 114 2.287 -19.611 2.346 1.00 0.00 C ATOM 1710 CD1 LEU A 114 1.816 -20.941 1.776 1.00 0.00 C ATOM 1711 CD2 LEU A 114 3.136 -18.865 1.328 1.00 0.00 C ATOM 0 H LEU A 114 1.878 -18.845 5.114 1.00 0.00 H new ATOM 0 HA LEU A 114 2.232 -16.948 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.425 -19.375 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.531 -18.469 1.887 1.00 0.00 H new ATOM 0 HG LEU A 114 2.901 -19.810 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.680 -21.534 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.251 -21.482 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.180 -20.761 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.982 -19.487 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.533 -18.635 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.503 -17.938 1.769 1.00 0.00 H new ATOM 1723 N SER A 115 -0.676 -16.849 4.590 1.00 0.00 N ATOM 1724 CA SER A 115 -1.883 -16.040 4.747 1.00 0.00 C ATOM 1725 C SER A 115 -2.102 -15.657 6.209 1.00 0.00 C ATOM 1726 O SER A 115 -1.760 -16.422 7.113 1.00 0.00 O ATOM 1727 CB SER A 115 -3.098 -16.808 4.216 1.00 0.00 C ATOM 1728 OG SER A 115 -2.967 -17.077 2.831 1.00 0.00 O ATOM 0 H SER A 115 -0.589 -17.616 5.257 1.00 0.00 H new ATOM 0 HA SER A 115 -1.757 -15.122 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.207 -17.745 4.763 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.004 -16.228 4.393 1.00 0.00 H new ATOM 0 HG SER A 115 -3.754 -17.569 2.517 1.00 0.00 H new ATOM 1734 N PRO A 116 -2.695 -14.473 6.459 1.00 0.00 N ATOM 1735 CA PRO A 116 -2.961 -13.990 7.819 1.00 0.00 C ATOM 1736 C PRO A 116 -4.185 -14.652 8.454 1.00 0.00 C ATOM 1737 O PRO A 116 -5.209 -14.008 8.686 1.00 0.00 O ATOM 1738 CB PRO A 116 -3.208 -12.496 7.607 1.00 0.00 C ATOM 1739 CG PRO A 116 -3.784 -12.404 6.236 1.00 0.00 C ATOM 1740 CD PRO A 116 -3.130 -13.500 5.433 1.00 0.00 C ATOM 0 HA PRO A 116 -2.142 -14.216 8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.895 -12.097 8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.283 -11.925 7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.866 -12.530 6.259 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.586 -11.427 5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.827 -13.949 4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -2.286 -13.124 4.854 1.00 0.00 H new ATOM 1748 N SER A 117 -4.072 -15.944 8.741 1.00 0.00 N ATOM 1749 CA SER A 117 -5.167 -16.685 9.349 1.00 0.00 C ATOM 1750 C SER A 117 -4.871 -16.973 10.817 1.00 0.00 C ATOM 1751 O SER A 117 -3.750 -17.335 11.175 1.00 0.00 O ATOM 1752 CB SER A 117 -5.402 -17.995 8.596 1.00 0.00 C ATOM 1753 OG SER A 117 -5.758 -17.746 7.245 1.00 0.00 O ATOM 0 H SER A 117 -3.234 -16.498 8.562 1.00 0.00 H new ATOM 0 HA SER A 117 -6.068 -16.075 9.289 1.00 0.00 H new ATOM 0 HB2 SER A 117 -4.500 -18.606 8.632 1.00 0.00 H new ATOM 0 HB3 SER A 117 -6.192 -18.564 9.086 1.00 0.00 H new ATOM 0 HG SER A 117 -5.902 -18.598 6.782 1.00 0.00 H new ATOM 1759 N GLU A 118 -5.882 -16.809 11.665 1.00 0.00 N ATOM 1760 CA GLU A 118 -5.730 -17.049 13.095 1.00 0.00 C ATOM 1761 C GLU A 118 -6.805 -18.006 13.595 1.00 0.00 C ATOM 1762 O GLU A 118 -7.917 -18.031 13.066 1.00 0.00 O ATOM 1763 CB GLU A 118 -5.809 -15.729 13.870 1.00 0.00 C ATOM 1764 CG GLU A 118 -4.633 -14.795 13.614 1.00 0.00 C ATOM 1765 CD GLU A 118 -4.791 -13.450 14.300 1.00 0.00 C ATOM 1766 OE1 GLU A 118 -5.893 -13.172 14.816 1.00 0.00 O ATOM 1767 OE2 GLU A 118 -3.810 -12.678 14.322 1.00 0.00 O ATOM 0 H GLU A 118 -6.816 -16.510 11.385 1.00 0.00 H new ATOM 0 HA GLU A 118 -4.752 -17.501 13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -6.733 -15.216 13.603 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.862 -15.947 14.937 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.715 -15.270 13.962 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.525 -14.640 12.541 1.00 0.00 H new ATOM 1774 N LYS A 119 -6.465 -18.797 14.606 1.00 0.00 N ATOM 1775 CA LYS A 119 -7.404 -19.755 15.179 1.00 0.00 C ATOM 1776 C LYS A 119 -8.454 -19.043 16.029 1.00 0.00 C ATOM 1777 O LYS A 119 -8.154 -18.057 16.705 1.00 0.00 O ATOM 1778 CB LYS A 119 -6.660 -20.788 16.031 1.00 0.00 C ATOM 1779 CG LYS A 119 -5.726 -21.681 15.228 1.00 0.00 C ATOM 1780 CD LYS A 119 -5.015 -22.689 16.120 1.00 0.00 C ATOM 1781 CE LYS A 119 -4.053 -23.555 15.325 1.00 0.00 C ATOM 1782 NZ LYS A 119 -4.759 -24.375 14.300 1.00 0.00 N ATOM 0 H LYS A 119 -5.545 -18.794 15.047 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.907 -20.266 14.359 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.083 -20.268 16.796 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -7.388 -21.411 16.550 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.294 -22.209 14.462 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.988 -21.067 14.711 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.470 -22.162 16.903 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.752 -23.322 16.615 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.313 -22.921 14.836 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.510 -24.212 16.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.099 -25.071 13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.558 -24.872 14.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.113 -23.755 13.543 1.00 0.00 H new ATOM 1796 N SER A 120 -9.682 -19.545 15.992 1.00 0.00 N ATOM 1797 CA SER A 120 -10.770 -18.952 16.760 1.00 0.00 C ATOM 1798 C SER A 120 -11.393 -19.985 17.691 1.00 0.00 C ATOM 1799 O SER A 120 -11.471 -21.168 17.358 1.00 0.00 O ATOM 1800 CB SER A 120 -11.837 -18.388 15.818 1.00 0.00 C ATOM 1801 OG SER A 120 -11.298 -17.377 14.983 1.00 0.00 O ATOM 0 H SER A 120 -9.949 -20.360 15.440 1.00 0.00 H new ATOM 0 HA SER A 120 -10.362 -18.140 17.362 1.00 0.00 H new ATOM 0 HB2 SER A 120 -12.246 -19.191 15.205 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.663 -17.980 16.401 1.00 0.00 H new ATOM 0 HG SER A 120 -11.999 -17.034 14.390 1.00 0.00 H new ATOM 1807 N TYR A 121 -11.840 -19.534 18.858 1.00 0.00 N ATOM 1808 CA TYR A 121 -12.449 -20.422 19.839 1.00 0.00 C ATOM 1809 C TYR A 121 -13.960 -20.216 19.886 1.00 0.00 C ATOM 1810 O TYR A 121 -14.488 -19.652 20.849 1.00 0.00 O ATOM 1811 CB TYR A 121 -11.841 -20.189 21.226 1.00 0.00 C ATOM 1812 CG TYR A 121 -10.359 -20.483 21.300 1.00 0.00 C ATOM 1813 CD1 TYR A 121 -9.419 -19.473 21.124 1.00 0.00 C ATOM 1814 CD2 TYR A 121 -9.898 -21.771 21.544 1.00 0.00 C ATOM 1815 CE1 TYR A 121 -8.065 -19.740 21.191 1.00 0.00 C ATOM 1816 CE2 TYR A 121 -8.545 -22.044 21.612 1.00 0.00 C ATOM 1817 CZ TYR A 121 -7.633 -21.026 21.434 1.00 0.00 C ATOM 1818 OH TYR A 121 -6.286 -21.295 21.502 1.00 0.00 O ATOM 0 H TYR A 121 -11.791 -18.557 19.147 1.00 0.00 H new ATOM 0 HA TYR A 121 -12.248 -21.450 19.538 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -12.011 -19.153 21.518 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -12.363 -20.814 21.951 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -9.753 -18.464 20.932 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -10.609 -22.572 21.683 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -7.348 -18.944 21.053 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -8.204 -23.051 21.804 1.00 0.00 H new ATOM 0 HH TYR A 121 -6.152 -22.249 21.681 1.00 0.00 H new ATOM 1828 N GLN A 122 -14.641 -20.675 18.831 1.00 0.00 N ATOM 1829 CA GLN A 122 -16.099 -20.566 18.709 1.00 0.00 C ATOM 1830 C GLN A 122 -16.560 -19.101 18.764 1.00 0.00 C ATOM 1831 O GLN A 122 -16.587 -18.419 17.740 1.00 0.00 O ATOM 1832 CB GLN A 122 -16.798 -21.403 19.792 1.00 0.00 C ATOM 1833 CG GLN A 122 -18.291 -21.593 19.562 1.00 0.00 C ATOM 1834 CD GLN A 122 -18.593 -22.335 18.272 1.00 0.00 C ATOM 1835 OE1 GLN A 122 -18.094 -23.434 18.044 1.00 0.00 O ATOM 1836 NE2 GLN A 122 -19.412 -21.734 17.419 1.00 0.00 N ATOM 0 H GLN A 122 -14.196 -21.134 18.036 1.00 0.00 H new ATOM 0 HA GLN A 122 -16.382 -20.962 17.734 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -16.322 -22.382 19.844 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -16.648 -20.924 20.760 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -18.717 -22.143 20.401 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -18.778 -20.618 19.539 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -19.805 -20.821 17.647 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -19.649 -22.185 16.535 1.00 0.00 H new ATOM 1845 N GLU A 123 -16.920 -18.623 19.956 1.00 0.00 N ATOM 1846 CA GLU A 123 -17.379 -17.247 20.123 1.00 0.00 C ATOM 1847 C GLU A 123 -16.216 -16.306 20.434 1.00 0.00 C ATOM 1848 O GLU A 123 -16.376 -15.088 20.429 1.00 0.00 O ATOM 1849 CB GLU A 123 -18.423 -17.166 21.240 1.00 0.00 C ATOM 1850 CG GLU A 123 -19.736 -17.858 20.906 1.00 0.00 C ATOM 1851 CD GLU A 123 -20.710 -17.866 22.069 1.00 0.00 C ATOM 1852 OE1 GLU A 123 -20.300 -17.503 23.191 1.00 0.00 O ATOM 1853 OE2 GLU A 123 -21.882 -18.235 21.853 1.00 0.00 O ATOM 0 H GLU A 123 -16.902 -19.169 20.818 1.00 0.00 H new ATOM 0 HA GLU A 123 -17.831 -16.933 19.182 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -18.009 -17.611 22.145 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -18.622 -16.118 21.463 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -20.198 -17.358 20.055 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -19.533 -18.885 20.601 1.00 0.00 H new ATOM 1860 N GLY A 124 -15.047 -16.877 20.703 1.00 0.00 N ATOM 1861 CA GLY A 124 -13.885 -16.064 21.013 1.00 0.00 C ATOM 1862 C GLY A 124 -12.968 -15.880 19.819 1.00 0.00 C ATOM 1863 O GLY A 124 -12.300 -16.859 19.428 1.00 0.00 O ATOM 1864 OXT GLY A 124 -12.917 -14.756 19.278 1.00 0.00 O ATOM 0 H GLY A 124 -14.883 -17.884 20.712 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -14.214 -15.087 21.368 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -13.328 -16.528 21.827 1.00 0.00 H new TER 1868 GLY A 124