USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 685 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 83 HIS : no HE2:sc= 0.908 K(o=1.1,f=-2.7!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.158 USER MOD Set 2.1: A 62 ASN : amide:sc= 0.993 X(o=1.9,f=1.6) USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0.891 USER MOD Single : A 1 MET CE :methyl 172:sc= -1.01 (180deg=-1.25) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.119 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.421 K(o=0.42,f=-0.31) USER MOD Single : A 4 TYR OH : rot 101:sc= 1.79 USER MOD Single : A 13 GLN : amide:sc= -0.987 K(o=-0.99,f=0.85) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.376 K(o=0.38,f=-3!) USER MOD Single : A 23 MET CE :methyl 155:sc= -0.752 (180deg=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.07 (180deg=1.04) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.2) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0.808 (180deg=0.769) USER MOD Single : A 36 ASN : amide:sc= 0.422 X(o=0.42,f=0) USER MOD Single : A 51 ASN : amide:sc= 1.01 K(o=1,f=-5!) USER MOD Single : A 54 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 55 SER OG : rot 96:sc= 1.22 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -82:sc= 0.744 USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00827) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.082 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.727 K(o=0.73,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.355 -1.132 1.654 1.00 0.00 N ATOM 2 CA MET A 1 2.026 -0.668 0.280 1.00 0.00 C ATOM 3 C MET A 1 2.458 -1.710 -0.761 1.00 0.00 C ATOM 4 O MET A 1 3.081 -2.715 -0.416 1.00 0.00 O ATOM 5 CB MET A 1 2.624 0.719 -0.025 1.00 0.00 C ATOM 6 CG MET A 1 1.795 1.874 0.551 1.00 0.00 C ATOM 7 SD MET A 1 2.416 3.517 0.091 1.00 0.00 S ATOM 8 CE MET A 1 2.110 3.454 -1.695 1.00 0.00 C ATOM 0 H1 MET A 1 1.482 -1.199 2.216 1.00 0.00 H new ATOM 0 H2 MET A 1 2.808 -2.067 1.606 1.00 0.00 H new ATOM 0 H3 MET A 1 3.004 -0.455 2.103 1.00 0.00 H new ATOM 0 HA MET A 1 0.943 -0.558 0.222 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.635 0.769 0.380 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.706 0.843 -1.105 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.765 1.776 0.209 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.780 1.792 1.638 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.299 4.435 -2.131 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.773 2.720 -2.152 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.074 3.169 -1.877 1.00 0.00 H new ATOM 20 N LEU A 2 2.085 -1.514 -2.031 1.00 0.00 N ATOM 21 CA LEU A 2 2.041 -2.556 -3.052 1.00 0.00 C ATOM 22 C LEU A 2 2.680 -2.073 -4.360 1.00 0.00 C ATOM 23 O LEU A 2 3.014 -0.898 -4.525 1.00 0.00 O ATOM 24 CB LEU A 2 0.563 -2.926 -3.296 1.00 0.00 C ATOM 25 CG LEU A 2 0.102 -4.253 -2.671 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.038 -4.188 -1.147 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.233 -4.678 -3.286 1.00 0.00 C ATOM 0 H LEU A 2 1.799 -0.600 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 2 2.604 -3.424 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.064 -2.124 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.391 -2.971 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 2 0.878 -4.987 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.366 -5.157 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.925 -3.933 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.772 -3.428 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.556 -5.619 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.982 -3.910 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.113 -4.808 -4.361 1.00 0.00 H new ATOM 39 N GLN A 3 2.795 -2.991 -5.318 1.00 0.00 N ATOM 40 CA GLN A 3 3.222 -2.761 -6.687 1.00 0.00 C ATOM 41 C GLN A 3 2.415 -3.709 -7.585 1.00 0.00 C ATOM 42 O GLN A 3 2.023 -4.785 -7.122 1.00 0.00 O ATOM 43 CB GLN A 3 4.736 -3.048 -6.761 1.00 0.00 C ATOM 44 CG GLN A 3 5.403 -2.627 -8.079 1.00 0.00 C ATOM 45 CD GLN A 3 6.806 -3.206 -8.251 1.00 0.00 C ATOM 46 OE1 GLN A 3 7.046 -4.394 -8.040 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.756 -2.391 -8.673 1.00 0.00 N ATOM 0 H GLN A 3 2.578 -3.972 -5.143 1.00 0.00 H new ATOM 0 HA GLN A 3 3.050 -1.736 -7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.231 -2.533 -5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.898 -4.116 -6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.779 -2.947 -8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 3 5.458 -1.539 -8.121 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.545 -1.408 -8.845 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.700 -2.745 -8.827 1.00 0.00 H new ATOM 56 N TYR A 4 2.218 -3.360 -8.862 1.00 0.00 N ATOM 57 CA TYR A 4 1.748 -4.291 -9.890 1.00 0.00 C ATOM 58 C TYR A 4 2.788 -4.433 -10.999 1.00 0.00 C ATOM 59 O TYR A 4 3.636 -3.558 -11.191 1.00 0.00 O ATOM 60 CB TYR A 4 0.353 -3.914 -10.458 1.00 0.00 C ATOM 61 CG TYR A 4 0.171 -2.573 -11.178 1.00 0.00 C ATOM 62 CD1 TYR A 4 1.012 -2.153 -12.233 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.919 -1.751 -10.829 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.877 -0.874 -12.798 1.00 0.00 C ATOM 65 CE2 TYR A 4 -1.068 -0.471 -11.389 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.136 -0.005 -12.339 1.00 0.00 C ATOM 67 OH TYR A 4 -0.203 1.279 -12.783 1.00 0.00 O ATOM 0 H TYR A 4 2.382 -2.416 -9.212 1.00 0.00 H new ATOM 0 HA TYR A 4 1.620 -5.261 -9.409 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.059 -4.701 -11.153 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.355 -3.939 -9.630 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.769 -2.825 -12.610 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.651 -2.110 -10.121 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.548 -0.556 -13.583 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.896 0.156 -11.092 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.896 1.351 -13.472 1.00 0.00 H new ATOM 77 N ARG A 5 2.620 -5.475 -11.811 1.00 0.00 N ATOM 78 CA ARG A 5 2.983 -5.480 -13.224 1.00 0.00 C ATOM 79 C ARG A 5 1.710 -5.896 -13.956 1.00 0.00 C ATOM 80 O ARG A 5 0.980 -6.758 -13.466 1.00 0.00 O ATOM 81 CB ARG A 5 4.157 -6.438 -13.492 1.00 0.00 C ATOM 82 CG ARG A 5 4.706 -6.297 -14.928 1.00 0.00 C ATOM 83 CD ARG A 5 5.768 -7.352 -15.268 1.00 0.00 C ATOM 84 NE ARG A 5 6.967 -7.246 -14.415 1.00 0.00 N ATOM 85 CZ ARG A 5 8.130 -6.652 -14.723 1.00 0.00 C ATOM 86 NH1 ARG A 5 8.326 -6.050 -15.894 1.00 0.00 N ATOM 87 NH2 ARG A 5 9.115 -6.661 -13.829 1.00 0.00 N ATOM 0 H ARG A 5 2.219 -6.358 -11.496 1.00 0.00 H new ATOM 0 HA ARG A 5 3.332 -4.506 -13.568 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.956 -6.240 -12.778 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.831 -7.465 -13.328 1.00 0.00 H new ATOM 0 HG2 ARG A 5 3.881 -6.378 -15.636 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.136 -5.303 -15.051 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.335 -8.346 -15.158 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.059 -7.245 -16.313 1.00 0.00 H new ATOM 0 HE ARG A 5 6.905 -7.671 -13.490 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.580 -6.031 -16.589 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.223 -5.608 -16.096 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.980 -7.115 -12.926 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.006 -6.214 -14.047 1.00 0.00 H new ATOM 101 N ILE A 6 1.430 -5.291 -15.101 1.00 0.00 N ATOM 102 CA ILE A 6 0.234 -5.525 -15.900 1.00 0.00 C ATOM 103 C ILE A 6 0.730 -5.709 -17.326 1.00 0.00 C ATOM 104 O ILE A 6 1.649 -5.007 -17.751 1.00 0.00 O ATOM 105 CB ILE A 6 -0.740 -4.326 -15.777 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.275 -4.192 -14.336 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.916 -4.433 -16.770 1.00 0.00 C ATOM 108 CD1 ILE A 6 -2.014 -2.882 -14.066 1.00 0.00 C ATOM 0 H ILE A 6 2.052 -4.597 -15.515 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.324 -6.400 -15.567 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.171 -3.430 -16.027 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.947 -5.025 -14.130 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.440 -4.276 -13.640 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.574 -3.572 -16.649 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.531 -4.455 -17.789 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.476 -5.348 -16.574 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.359 -2.865 -13.032 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.341 -2.042 -14.238 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.871 -2.803 -14.735 1.00 0.00 H new ATOM 120 N ILE A 7 0.097 -6.610 -18.070 1.00 0.00 N ATOM 121 CA ILE A 7 0.295 -6.780 -19.500 1.00 0.00 C ATOM 122 C ILE A 7 -1.112 -6.785 -20.108 1.00 0.00 C ATOM 123 O ILE A 7 -2.015 -7.410 -19.544 1.00 0.00 O ATOM 124 CB ILE A 7 1.077 -8.080 -19.856 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.617 -8.958 -18.696 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.207 -7.751 -20.839 1.00 0.00 C ATOM 127 CD1 ILE A 7 2.894 -8.466 -17.995 1.00 0.00 C ATOM 0 H ILE A 7 -0.587 -7.259 -17.681 1.00 0.00 H new ATOM 0 HA ILE A 7 0.912 -5.975 -19.900 1.00 0.00 H new ATOM 0 HB ILE A 7 0.309 -8.716 -20.297 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.832 -9.052 -17.946 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.806 -9.958 -19.086 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.752 -8.662 -21.086 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.785 -7.323 -21.748 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.889 -7.033 -20.383 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.168 -9.165 -17.205 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.705 -8.402 -18.720 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.715 -7.482 -17.562 1.00 0.00 H new ATOM 139 N VAL A 8 -1.310 -6.102 -21.236 1.00 0.00 N ATOM 140 CA VAL A 8 -2.603 -5.999 -21.909 1.00 0.00 C ATOM 141 C VAL A 8 -2.422 -6.119 -23.419 1.00 0.00 C ATOM 142 O VAL A 8 -1.398 -5.701 -23.967 1.00 0.00 O ATOM 143 CB VAL A 8 -3.335 -4.688 -21.538 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.959 -4.778 -20.147 1.00 0.00 C ATOM 145 CG2 VAL A 8 -2.462 -3.427 -21.614 1.00 0.00 C ATOM 0 H VAL A 8 -0.564 -5.597 -21.714 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.229 -6.823 -21.567 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.109 -4.584 -22.298 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.466 -3.842 -19.915 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.679 -5.596 -20.123 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.178 -4.960 -19.409 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.056 -2.556 -21.338 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.621 -3.525 -20.928 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.088 -3.304 -22.631 1.00 0.00 H new ATOM 155 N ASP A 9 -3.439 -6.654 -24.092 1.00 0.00 N ATOM 156 CA ASP A 9 -3.508 -6.813 -25.540 1.00 0.00 C ATOM 157 C ASP A 9 -4.927 -6.458 -25.982 1.00 0.00 C ATOM 158 O ASP A 9 -5.862 -6.514 -25.176 1.00 0.00 O ATOM 159 CB ASP A 9 -3.167 -8.261 -25.929 1.00 0.00 C ATOM 160 CG ASP A 9 -2.702 -8.431 -27.389 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.840 -7.498 -28.210 1.00 0.00 O ATOM 162 OD2 ASP A 9 -2.157 -9.515 -27.704 1.00 0.00 O ATOM 0 H ASP A 9 -4.273 -7.003 -23.620 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.789 -6.158 -26.032 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.385 -8.629 -25.265 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.045 -8.886 -25.764 1.00 0.00 H new ATOM 167 N GLY A 10 -5.090 -6.057 -27.237 1.00 0.00 N ATOM 168 CA GLY A 10 -6.306 -5.500 -27.798 1.00 0.00 C ATOM 169 C GLY A 10 -5.892 -4.377 -28.733 1.00 0.00 C ATOM 170 O GLY A 10 -4.739 -4.323 -29.178 1.00 0.00 O ATOM 0 H GLY A 10 -4.337 -6.116 -27.922 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.866 -6.264 -28.337 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.957 -5.124 -27.009 1.00 0.00 H new ATOM 174 N ARG A 11 -6.792 -3.427 -28.983 1.00 0.00 N ATOM 175 CA ARG A 11 -6.399 -2.143 -29.554 1.00 0.00 C ATOM 176 C ARG A 11 -5.840 -1.303 -28.406 1.00 0.00 C ATOM 177 O ARG A 11 -6.462 -0.330 -27.994 1.00 0.00 O ATOM 178 CB ARG A 11 -7.598 -1.488 -30.267 1.00 0.00 C ATOM 179 CG ARG A 11 -7.226 -0.223 -31.056 1.00 0.00 C ATOM 180 CD ARG A 11 -8.490 0.561 -31.426 1.00 0.00 C ATOM 181 NE ARG A 11 -8.169 1.771 -32.201 1.00 0.00 N ATOM 182 CZ ARG A 11 -8.996 2.803 -32.414 1.00 0.00 C ATOM 183 NH1 ARG A 11 -10.163 2.884 -31.778 1.00 0.00 N ATOM 184 NH2 ARG A 11 -8.648 3.757 -33.271 1.00 0.00 N ATOM 0 H ARG A 11 -7.791 -3.522 -28.800 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.631 -2.250 -30.320 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.046 -2.212 -30.947 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.357 -1.235 -29.527 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.562 0.404 -30.461 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.681 -0.496 -31.960 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.158 -0.076 -32.005 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.024 0.841 -30.518 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.237 1.828 -32.611 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.437 2.155 -31.119 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.783 3.675 -31.949 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.756 3.701 -33.762 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.273 4.546 -33.438 1.00 0.00 H new ATOM 198 N VAL A 12 -4.712 -1.708 -27.829 1.00 0.00 N ATOM 199 CA VAL A 12 -4.116 -1.071 -26.653 1.00 0.00 C ATOM 200 C VAL A 12 -3.137 0.040 -27.063 1.00 0.00 C ATOM 201 O VAL A 12 -2.183 0.333 -26.348 1.00 0.00 O ATOM 202 CB VAL A 12 -3.516 -2.144 -25.718 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.653 -2.981 -25.115 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.506 -3.075 -26.409 1.00 0.00 C ATOM 0 H VAL A 12 -4.174 -2.504 -28.171 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.887 -0.564 -26.074 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.964 -1.611 -24.944 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.235 -3.740 -24.454 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.320 -2.333 -24.547 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.212 -3.465 -25.915 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.129 -3.801 -25.689 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.996 -3.599 -27.229 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.676 -2.486 -26.799 1.00 0.00 H new ATOM 214 N GLN A 13 -3.340 0.651 -28.230 1.00 0.00 N ATOM 215 CA GLN A 13 -2.629 1.833 -28.694 1.00 0.00 C ATOM 216 C GLN A 13 -3.505 2.475 -29.782 1.00 0.00 C ATOM 217 O GLN A 13 -4.635 2.032 -30.008 1.00 0.00 O ATOM 218 CB GLN A 13 -1.207 1.450 -29.175 1.00 0.00 C ATOM 219 CG GLN A 13 -0.134 2.512 -28.859 1.00 0.00 C ATOM 220 CD GLN A 13 0.074 2.748 -27.359 1.00 0.00 C ATOM 221 OE1 GLN A 13 -0.424 3.722 -26.801 1.00 0.00 O ATOM 222 NE2 GLN A 13 0.821 1.894 -26.673 1.00 0.00 N ATOM 0 H GLN A 13 -4.033 0.320 -28.902 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.469 2.562 -27.900 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.919 0.507 -28.711 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.231 1.281 -30.252 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.812 2.204 -29.304 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.417 3.453 -29.330 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.233 1.086 -27.141 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.984 2.045 -25.677 1.00 0.00 H new ATOM 281 N ARG A 18 -0.866 4.445 -24.025 1.00 0.00 N ATOM 282 CA ARG A 18 0.174 4.461 -23.002 1.00 0.00 C ATOM 283 C ARG A 18 0.175 5.790 -22.237 1.00 0.00 C ATOM 284 O ARG A 18 0.379 5.789 -21.027 1.00 0.00 O ATOM 285 CB ARG A 18 1.542 4.045 -23.576 1.00 0.00 C ATOM 286 CG ARG A 18 2.299 5.086 -24.413 1.00 0.00 C ATOM 287 CD ARG A 18 3.679 4.548 -24.832 1.00 0.00 C ATOM 288 NE ARG A 18 3.619 3.717 -26.050 1.00 0.00 N ATOM 289 CZ ARG A 18 4.666 3.446 -26.845 1.00 0.00 C ATOM 290 NH1 ARG A 18 5.912 3.760 -26.513 1.00 0.00 N ATOM 291 NH2 ARG A 18 4.497 2.846 -28.015 1.00 0.00 N ATOM 0 HA ARG A 18 -0.054 3.700 -22.255 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.182 3.751 -22.744 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.394 3.159 -24.193 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.718 5.340 -25.299 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.420 6.004 -23.838 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.355 5.386 -25.001 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.099 3.960 -24.016 1.00 0.00 H new ATOM 0 HE ARG A 18 2.715 3.319 -26.307 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.101 4.225 -25.625 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.680 3.536 -27.146 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.561 2.583 -28.323 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.303 2.647 -28.607 1.00 0.00 H new ATOM 305 N TYR A 19 -0.114 6.917 -22.897 1.00 0.00 N ATOM 306 CA TYR A 19 -0.273 8.186 -22.195 1.00 0.00 C ATOM 307 C TYR A 19 -1.527 8.144 -21.319 1.00 0.00 C ATOM 308 O TYR A 19 -1.454 8.516 -20.149 1.00 0.00 O ATOM 309 CB TYR A 19 -0.319 9.358 -23.185 1.00 0.00 C ATOM 310 CG TYR A 19 -0.283 10.715 -22.508 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.946 11.253 -22.080 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.475 11.433 -22.290 1.00 0.00 C ATOM 313 CE1 TYR A 19 0.990 12.501 -21.434 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.438 12.686 -21.652 1.00 0.00 C ATOM 315 CZ TYR A 19 -0.206 13.225 -21.216 1.00 0.00 C ATOM 316 OH TYR A 19 -0.187 14.437 -20.593 1.00 0.00 O ATOM 0 H TYR A 19 -0.241 6.972 -23.908 1.00 0.00 H new ATOM 0 HA TYR A 19 0.591 8.342 -21.549 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.525 9.279 -23.871 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.226 9.283 -23.785 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.860 10.704 -22.249 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.419 11.021 -22.613 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.935 12.906 -21.105 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.353 13.238 -21.495 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.100 14.788 -20.531 1.00 0.00 H new ATOM 326 N PHE A 20 -2.657 7.650 -21.846 1.00 0.00 N ATOM 327 CA PHE A 20 -3.909 7.550 -21.099 1.00 0.00 C ATOM 328 C PHE A 20 -3.709 6.804 -19.786 1.00 0.00 C ATOM 329 O PHE A 20 -4.104 7.329 -18.743 1.00 0.00 O ATOM 330 CB PHE A 20 -5.029 6.905 -21.936 1.00 0.00 C ATOM 331 CG PHE A 20 -6.127 6.250 -21.108 1.00 0.00 C ATOM 332 CD1 PHE A 20 -7.153 7.026 -20.533 1.00 0.00 C ATOM 333 CD2 PHE A 20 -6.089 4.861 -20.862 1.00 0.00 C ATOM 334 CE1 PHE A 20 -8.135 6.415 -19.730 1.00 0.00 C ATOM 335 CE2 PHE A 20 -7.066 4.252 -20.053 1.00 0.00 C ATOM 336 CZ PHE A 20 -8.091 5.030 -19.489 1.00 0.00 C ATOM 0 H PHE A 20 -2.723 7.309 -22.805 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.225 8.567 -20.866 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.476 7.668 -22.574 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.590 6.156 -22.595 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.186 8.091 -20.709 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.304 4.261 -21.298 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.925 7.012 -19.298 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.028 3.189 -19.866 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.845 4.565 -18.871 1.00 0.00 H new ATOM 346 N VAL A 21 -3.084 5.622 -19.800 1.00 0.00 N ATOM 347 CA VAL A 21 -2.932 4.886 -18.564 1.00 0.00 C ATOM 348 C VAL A 21 -2.102 5.712 -17.577 1.00 0.00 C ATOM 349 O VAL A 21 -2.477 5.808 -16.416 1.00 0.00 O ATOM 350 CB VAL A 21 -2.428 3.450 -18.791 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.369 2.652 -19.714 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.990 3.318 -19.305 1.00 0.00 C ATOM 0 H VAL A 21 -2.691 5.175 -20.629 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.910 4.739 -18.106 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.428 3.029 -17.785 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.977 1.644 -19.849 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.361 2.599 -19.265 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.435 3.148 -20.682 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.743 2.264 -19.428 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.899 3.827 -20.265 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.304 3.770 -18.588 1.00 0.00 H new ATOM 362 N GLN A 22 -1.060 6.424 -18.017 1.00 0.00 N ATOM 363 CA GLN A 22 -0.286 7.261 -17.108 1.00 0.00 C ATOM 364 C GLN A 22 -1.045 8.519 -16.653 1.00 0.00 C ATOM 365 O GLN A 22 -0.761 9.026 -15.565 1.00 0.00 O ATOM 366 CB GLN A 22 1.086 7.583 -17.711 1.00 0.00 C ATOM 367 CG GLN A 22 1.941 6.346 -18.055 1.00 0.00 C ATOM 368 CD GLN A 22 2.349 5.459 -16.872 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.535 5.016 -16.070 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.627 5.147 -16.734 1.00 0.00 N ATOM 0 H GLN A 22 -0.739 6.435 -18.985 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.122 6.687 -16.196 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.941 8.172 -18.617 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.639 8.208 -17.010 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.388 5.734 -18.768 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.846 6.684 -18.559 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.315 5.509 -17.395 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.925 4.544 -15.967 1.00 0.00 H new ATOM 379 N MET A 23 -2.052 8.990 -17.398 1.00 0.00 N ATOM 380 CA MET A 23 -2.973 10.001 -16.870 1.00 0.00 C ATOM 381 C MET A 23 -3.745 9.400 -15.698 1.00 0.00 C ATOM 382 O MET A 23 -3.853 10.026 -14.647 1.00 0.00 O ATOM 383 CB MET A 23 -4.005 10.502 -17.891 1.00 0.00 C ATOM 384 CG MET A 23 -3.453 11.169 -19.151 1.00 0.00 C ATOM 385 SD MET A 23 -4.722 12.089 -20.074 1.00 0.00 S ATOM 386 CE MET A 23 -5.870 10.768 -20.570 1.00 0.00 C ATOM 0 H MET A 23 -2.248 8.692 -18.354 1.00 0.00 H new ATOM 0 HA MET A 23 -2.356 10.852 -16.581 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.621 9.656 -18.195 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.663 11.212 -17.390 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.647 11.849 -18.874 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.019 10.408 -19.799 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.862 11.190 -20.731 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.518 10.307 -21.493 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.919 10.014 -19.784 1.00 0.00 H new ATOM 396 N GLU A 24 -4.271 8.184 -15.861 1.00 0.00 N ATOM 397 CA GLU A 24 -5.027 7.500 -14.821 1.00 0.00 C ATOM 398 C GLU A 24 -4.124 7.166 -13.623 1.00 0.00 C ATOM 399 O GLU A 24 -4.591 7.205 -12.484 1.00 0.00 O ATOM 400 CB GLU A 24 -5.715 6.254 -15.407 1.00 0.00 C ATOM 401 CG GLU A 24 -6.729 6.582 -16.521 1.00 0.00 C ATOM 402 CD GLU A 24 -7.935 7.368 -15.990 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.892 6.749 -15.472 1.00 0.00 O ATOM 404 OE2 GLU A 24 -7.928 8.617 -16.037 1.00 0.00 O ATOM 0 H GLU A 24 -4.182 7.647 -16.724 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.809 8.161 -14.447 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.955 5.581 -15.804 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.226 5.720 -14.606 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.235 7.160 -17.302 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.074 5.656 -16.981 1.00 0.00 H new ATOM 411 N ALA A 25 -2.829 6.911 -13.859 1.00 0.00 N ATOM 412 CA ALA A 25 -1.828 6.751 -12.815 1.00 0.00 C ATOM 413 C ALA A 25 -1.735 8.032 -11.992 1.00 0.00 C ATOM 414 O ALA A 25 -1.909 7.989 -10.776 1.00 0.00 O ATOM 415 CB ALA A 25 -0.456 6.408 -13.417 1.00 0.00 C ATOM 0 H ALA A 25 -2.449 6.810 -14.800 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.129 5.927 -12.169 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.274 6.294 -12.616 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.528 5.477 -13.979 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.140 7.210 -14.084 1.00 0.00 H new ATOM 421 N ASP A 26 -1.501 9.172 -12.649 1.00 0.00 N ATOM 422 CA ASP A 26 -1.367 10.467 -11.976 1.00 0.00 C ATOM 423 C ASP A 26 -2.652 10.855 -11.247 1.00 0.00 C ATOM 424 O ASP A 26 -2.606 11.314 -10.106 1.00 0.00 O ATOM 425 CB ASP A 26 -1.001 11.563 -12.978 1.00 0.00 C ATOM 426 CG ASP A 26 -1.014 12.944 -12.303 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.174 13.190 -11.408 1.00 0.00 O ATOM 428 OD2 ASP A 26 -1.859 13.791 -12.668 1.00 0.00 O ATOM 0 H ASP A 26 -1.399 9.223 -13.663 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.568 10.367 -11.242 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.013 11.366 -13.395 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.706 11.553 -13.809 1.00 0.00 H new ATOM 433 N LYS A 27 -3.806 10.599 -11.867 1.00 0.00 N ATOM 434 CA LYS A 27 -5.127 10.847 -11.293 1.00 0.00 C ATOM 435 C LYS A 27 -5.301 10.152 -9.940 1.00 0.00 C ATOM 436 O LYS A 27 -6.037 10.665 -9.097 1.00 0.00 O ATOM 437 CB LYS A 27 -6.185 10.454 -12.344 1.00 0.00 C ATOM 438 CG LYS A 27 -7.655 10.531 -11.890 1.00 0.00 C ATOM 439 CD LYS A 27 -8.203 9.190 -11.364 1.00 0.00 C ATOM 440 CE LYS A 27 -8.431 8.126 -12.449 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.511 8.482 -13.401 1.00 0.00 N ATOM 0 H LYS A 27 -3.847 10.203 -12.806 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.252 11.905 -11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.061 11.099 -13.213 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.980 9.435 -12.672 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.747 11.285 -11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.269 10.863 -12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.508 8.793 -10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.146 9.374 -10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.504 7.976 -13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.675 7.177 -11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.570 7.758 -14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.418 8.532 -12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.304 9.406 -13.831 1.00 0.00 H new ATOM 455 N ARG A 28 -4.618 9.025 -9.701 1.00 0.00 N ATOM 456 CA ARG A 28 -4.670 8.296 -8.429 1.00 0.00 C ATOM 457 C ARG A 28 -3.289 8.226 -7.760 1.00 0.00 C ATOM 458 O ARG A 28 -3.064 7.371 -6.905 1.00 0.00 O ATOM 459 CB ARG A 28 -5.367 6.938 -8.664 1.00 0.00 C ATOM 460 CG ARG A 28 -6.317 6.577 -7.509 1.00 0.00 C ATOM 461 CD ARG A 28 -7.290 5.468 -7.931 1.00 0.00 C ATOM 462 NE ARG A 28 -8.220 5.109 -6.839 1.00 0.00 N ATOM 463 CZ ARG A 28 -9.413 5.669 -6.590 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.880 6.661 -7.345 1.00 0.00 N ATOM 465 NH2 ARG A 28 -10.133 5.228 -5.565 1.00 0.00 N ATOM 0 H ARG A 28 -4.008 8.590 -10.393 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.275 8.832 -7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.927 6.974 -9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.614 6.157 -8.773 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.739 6.250 -6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.876 7.461 -7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.860 5.796 -8.801 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.726 4.585 -8.233 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.925 4.360 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.328 7.008 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.790 7.074 -7.139 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.777 4.473 -4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.042 5.644 -5.364 1.00 0.00 H new ATOM 479 N LYS A 29 -2.379 9.136 -8.139 1.00 0.00 N ATOM 480 CA LYS A 29 -0.998 9.277 -7.665 1.00 0.00 C ATOM 481 C LYS A 29 -0.263 7.941 -7.504 1.00 0.00 C ATOM 482 O LYS A 29 0.479 7.736 -6.541 1.00 0.00 O ATOM 483 CB LYS A 29 -0.943 10.202 -6.430 1.00 0.00 C ATOM 484 CG LYS A 29 -1.472 11.626 -6.692 1.00 0.00 C ATOM 485 CD LYS A 29 -0.598 12.430 -7.671 1.00 0.00 C ATOM 486 CE LYS A 29 -1.258 13.774 -8.000 1.00 0.00 C ATOM 487 NZ LYS A 29 -0.473 14.545 -8.993 1.00 0.00 N ATOM 0 H LYS A 29 -2.608 9.844 -8.837 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.424 9.773 -8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.524 9.752 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.088 10.266 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.485 11.562 -7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.533 12.163 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.386 12.599 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.447 11.858 -8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.262 13.601 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.364 14.360 -7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.833 15.520 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.528 14.558 -8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.562 14.099 -9.928 1.00 0.00 H new ATOM 501 N LEU A 30 -0.446 7.040 -8.470 1.00 0.00 N ATOM 502 CA LEU A 30 0.477 5.935 -8.705 1.00 0.00 C ATOM 503 C LEU A 30 1.757 6.500 -9.327 1.00 0.00 C ATOM 504 O LEU A 30 1.751 7.615 -9.859 1.00 0.00 O ATOM 505 CB LEU A 30 -0.161 4.906 -9.653 1.00 0.00 C ATOM 506 CG LEU A 30 -1.445 4.252 -9.112 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.986 3.269 -10.146 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.189 3.513 -7.799 1.00 0.00 C ATOM 0 H LEU A 30 -1.240 7.058 -9.111 1.00 0.00 H new ATOM 0 HA LEU A 30 0.708 5.436 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.388 5.395 -10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.569 4.124 -9.865 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.172 5.041 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.896 2.804 -9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.210 3.800 -11.071 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.240 2.499 -10.341 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.118 3.064 -7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.446 2.731 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.820 4.216 -7.052 1.00 0.00 H new ATOM 520 N ALA A 31 2.842 5.723 -9.312 1.00 0.00 N ATOM 521 CA ALA A 31 4.119 6.106 -9.906 1.00 0.00 C ATOM 522 C ALA A 31 4.786 4.848 -10.462 1.00 0.00 C ATOM 523 O ALA A 31 4.853 3.838 -9.761 1.00 0.00 O ATOM 524 CB ALA A 31 4.984 6.775 -8.830 1.00 0.00 C ATOM 0 H ALA A 31 2.856 4.799 -8.881 1.00 0.00 H new ATOM 0 HA ALA A 31 3.982 6.817 -10.721 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.942 7.066 -9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.473 7.660 -8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.153 6.075 -8.012 1.00 0.00 H new ATOM 530 N GLY A 32 5.252 4.890 -11.713 1.00 0.00 N ATOM 531 CA GLY A 32 5.693 3.705 -12.440 1.00 0.00 C ATOM 532 C GLY A 32 6.008 4.014 -13.901 1.00 0.00 C ATOM 533 O GLY A 32 6.149 5.183 -14.258 1.00 0.00 O ATOM 0 H GLY A 32 5.333 5.754 -12.250 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.579 3.293 -11.958 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.918 2.940 -12.390 1.00 0.00 H new ATOM 537 N TRP A 33 6.076 2.996 -14.763 1.00 0.00 N ATOM 538 CA TRP A 33 6.362 3.145 -16.187 1.00 0.00 C ATOM 539 C TRP A 33 5.358 2.383 -17.062 1.00 0.00 C ATOM 540 O TRP A 33 4.694 1.454 -16.592 1.00 0.00 O ATOM 541 CB TRP A 33 7.816 2.746 -16.496 1.00 0.00 C ATOM 542 CG TRP A 33 8.208 1.302 -16.338 1.00 0.00 C ATOM 543 CD1 TRP A 33 7.754 0.268 -17.086 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.202 0.719 -15.437 1.00 0.00 C ATOM 545 NE1 TRP A 33 8.384 -0.900 -16.712 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.309 -0.679 -15.716 1.00 0.00 C ATOM 547 CE3 TRP A 33 10.047 1.233 -14.429 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.214 -1.515 -15.043 1.00 0.00 C ATOM 549 CZ3 TRP A 33 10.955 0.403 -13.743 1.00 0.00 C ATOM 550 CH2 TRP A 33 11.043 -0.967 -14.049 1.00 0.00 C ATOM 0 H TRP A 33 5.930 2.026 -14.482 1.00 0.00 H new ATOM 0 HA TRP A 33 6.246 4.199 -16.438 1.00 0.00 H new ATOM 0 HB2 TRP A 33 8.030 3.038 -17.524 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.467 3.339 -15.854 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.007 0.347 -17.862 1.00 0.00 H new ATOM 0 HE1 TRP A 33 8.189 -1.814 -17.122 1.00 0.00 H new ATOM 0 HE3 TRP A 33 9.996 2.283 -14.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.272 -2.566 -15.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 11.589 0.822 -12.976 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.745 -1.596 -13.522 1.00 0.00 H new ATOM 561 N VAL A 34 5.296 2.752 -18.348 1.00 0.00 N ATOM 562 CA VAL A 34 4.538 2.047 -19.390 1.00 0.00 C ATOM 563 C VAL A 34 5.446 1.813 -20.604 1.00 0.00 C ATOM 564 O VAL A 34 6.343 2.615 -20.876 1.00 0.00 O ATOM 565 CB VAL A 34 3.230 2.804 -19.708 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.504 4.172 -20.343 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.309 1.976 -20.614 1.00 0.00 C ATOM 0 H VAL A 34 5.786 3.573 -18.703 1.00 0.00 H new ATOM 0 HA VAL A 34 4.224 1.063 -19.043 1.00 0.00 H new ATOM 0 HB VAL A 34 2.723 2.968 -18.757 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.558 4.672 -20.551 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.093 4.780 -19.657 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.056 4.037 -21.273 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.398 2.538 -20.818 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.820 1.760 -21.552 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.054 1.040 -20.116 1.00 0.00 H new ATOM 577 N LYS A 35 5.224 0.709 -21.322 1.00 0.00 N ATOM 578 CA LYS A 35 6.078 0.184 -22.388 1.00 0.00 C ATOM 579 C LYS A 35 5.183 -0.511 -23.417 1.00 0.00 C ATOM 580 O LYS A 35 4.105 -0.992 -23.061 1.00 0.00 O ATOM 581 CB LYS A 35 7.047 -0.815 -21.718 1.00 0.00 C ATOM 582 CG LYS A 35 8.092 -1.481 -22.633 1.00 0.00 C ATOM 583 CD LYS A 35 8.920 -2.563 -21.912 1.00 0.00 C ATOM 584 CE LYS A 35 8.034 -3.750 -21.488 1.00 0.00 C ATOM 585 NZ LYS A 35 8.790 -4.901 -20.931 1.00 0.00 N ATOM 0 H LYS A 35 4.400 0.128 -21.166 1.00 0.00 H new ATOM 0 HA LYS A 35 6.645 0.961 -22.901 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.576 -0.294 -20.920 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.455 -1.601 -21.248 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.586 -1.928 -23.488 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.764 -0.717 -23.024 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.715 -2.915 -22.570 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.401 -2.132 -21.034 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.316 -3.406 -20.744 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.461 -4.089 -22.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.150 -5.712 -20.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.559 -5.159 -21.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.192 -4.639 -20.008 1.00 0.00 H new ATOM 599 N ASN A 36 5.642 -0.644 -24.662 1.00 0.00 N ATOM 600 CA ASN A 36 5.046 -1.549 -25.651 1.00 0.00 C ATOM 601 C ASN A 36 6.086 -2.614 -25.986 1.00 0.00 C ATOM 602 O ASN A 36 7.208 -2.303 -26.381 1.00 0.00 O ATOM 603 CB ASN A 36 4.550 -0.800 -26.898 1.00 0.00 C ATOM 604 CG ASN A 36 4.383 -1.717 -28.112 1.00 0.00 C ATOM 605 OD1 ASN A 36 4.995 -1.487 -29.150 1.00 0.00 O ATOM 606 ND2 ASN A 36 3.573 -2.760 -28.033 1.00 0.00 N ATOM 0 H ASN A 36 6.444 -0.123 -25.017 1.00 0.00 H new ATOM 0 HA ASN A 36 4.156 -2.022 -25.236 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.596 -0.323 -26.674 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.254 -0.005 -27.143 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.455 -3.377 -28.837 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.066 -2.948 -27.168 1.00 0.00 H new ATOM 613 N ARG A 37 5.724 -3.873 -25.759 1.00 0.00 N ATOM 614 CA ARG A 37 6.596 -5.025 -25.932 1.00 0.00 C ATOM 615 C ARG A 37 6.731 -5.332 -27.419 1.00 0.00 C ATOM 616 O ARG A 37 5.787 -5.134 -28.186 1.00 0.00 O ATOM 617 CB ARG A 37 5.953 -6.218 -25.212 1.00 0.00 C ATOM 618 CG ARG A 37 5.925 -6.069 -23.680 1.00 0.00 C ATOM 619 CD ARG A 37 4.815 -6.924 -23.063 1.00 0.00 C ATOM 620 NE ARG A 37 4.924 -8.337 -23.435 1.00 0.00 N ATOM 621 CZ ARG A 37 5.453 -9.302 -22.677 1.00 0.00 C ATOM 622 NH1 ARG A 37 6.027 -9.015 -21.505 1.00 0.00 N ATOM 623 NH2 ARG A 37 5.396 -10.553 -23.119 1.00 0.00 N ATOM 0 H ARG A 37 4.788 -4.125 -25.440 1.00 0.00 H new ATOM 0 HA ARG A 37 7.585 -4.826 -25.520 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.933 -6.345 -25.575 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.499 -7.125 -25.471 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.889 -6.364 -23.265 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.771 -5.023 -23.416 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.852 -6.833 -21.977 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.846 -6.541 -23.382 1.00 0.00 H new ATOM 0 HE ARG A 37 4.565 -8.607 -24.351 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.065 -8.049 -21.179 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.427 -9.762 -20.937 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.956 -10.757 -24.016 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.792 -11.310 -22.561 1.00 0.00 H new ATOM 637 N ASP A 38 7.869 -5.907 -27.811 1.00 0.00 N ATOM 638 CA ASP A 38 8.091 -6.386 -29.178 1.00 0.00 C ATOM 639 C ASP A 38 7.086 -7.481 -29.557 1.00 0.00 C ATOM 640 O ASP A 38 6.716 -7.609 -30.724 1.00 0.00 O ATOM 641 CB ASP A 38 9.522 -6.916 -29.318 1.00 0.00 C ATOM 642 CG ASP A 38 9.780 -7.473 -30.729 1.00 0.00 C ATOM 643 OD1 ASP A 38 9.901 -6.675 -31.686 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.906 -8.709 -30.883 1.00 0.00 O ATOM 0 H ASP A 38 8.664 -6.054 -27.190 1.00 0.00 H new ATOM 0 HA ASP A 38 7.945 -5.547 -29.858 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.230 -6.115 -29.106 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.696 -7.698 -28.579 1.00 0.00 H new ATOM 649 N ASP A 39 6.604 -8.244 -28.567 1.00 0.00 N ATOM 650 CA ASP A 39 5.584 -9.280 -28.749 1.00 0.00 C ATOM 651 C ASP A 39 4.183 -8.710 -29.036 1.00 0.00 C ATOM 652 O ASP A 39 3.275 -9.473 -29.370 1.00 0.00 O ATOM 653 CB ASP A 39 5.576 -10.261 -27.560 1.00 0.00 C ATOM 654 CG ASP A 39 4.633 -9.905 -26.405 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.295 -8.725 -26.185 1.00 0.00 O ATOM 656 OD2 ASP A 39 4.227 -10.826 -25.661 1.00 0.00 O ATOM 0 H ASP A 39 6.919 -8.155 -27.601 1.00 0.00 H new ATOM 0 HA ASP A 39 5.861 -9.837 -29.644 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.307 -11.250 -27.932 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.590 -10.333 -27.167 1.00 0.00 H new ATOM 661 N GLY A 40 4.001 -7.387 -28.937 1.00 0.00 N ATOM 662 CA GLY A 40 2.801 -6.674 -29.356 1.00 0.00 C ATOM 663 C GLY A 40 1.958 -6.171 -28.185 1.00 0.00 C ATOM 664 O GLY A 40 1.147 -5.263 -28.376 1.00 0.00 O ATOM 0 H GLY A 40 4.713 -6.768 -28.549 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.089 -5.827 -29.978 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.193 -7.333 -29.976 1.00 0.00 H new ATOM 668 N ARG A 41 2.128 -6.727 -26.979 1.00 0.00 N ATOM 669 CA ARG A 41 1.387 -6.277 -25.799 1.00 0.00 C ATOM 670 C ARG A 41 1.832 -4.869 -25.393 1.00 0.00 C ATOM 671 O ARG A 41 2.921 -4.410 -25.751 1.00 0.00 O ATOM 672 CB ARG A 41 1.603 -7.269 -24.640 1.00 0.00 C ATOM 673 CG ARG A 41 0.589 -8.411 -24.492 1.00 0.00 C ATOM 674 CD ARG A 41 0.290 -9.198 -25.769 1.00 0.00 C ATOM 675 NE ARG A 41 1.384 -10.076 -26.196 1.00 0.00 N ATOM 676 CZ ARG A 41 1.236 -11.069 -27.081 1.00 0.00 C ATOM 677 NH1 ARG A 41 0.106 -11.206 -27.777 1.00 0.00 N ATOM 678 NH2 ARG A 41 2.233 -11.931 -27.236 1.00 0.00 N ATOM 0 H ARG A 41 2.776 -7.493 -26.797 1.00 0.00 H new ATOM 0 HA ARG A 41 0.324 -6.241 -26.039 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.593 -7.710 -24.754 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.611 -6.703 -23.709 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.958 -9.105 -23.737 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.346 -7.996 -24.115 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.605 -9.800 -25.612 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.066 -8.496 -26.572 1.00 0.00 H new ATOM 0 HE ARG A 41 2.310 -9.921 -25.796 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.661 -10.548 -27.638 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.009 -11.968 -28.448 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.087 -11.828 -26.687 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.146 -12.697 -27.904 1.00 0.00 H new ATOM 692 N VAL A 42 1.035 -4.205 -24.567 1.00 0.00 N ATOM 693 CA VAL A 42 1.490 -3.094 -23.740 1.00 0.00 C ATOM 694 C VAL A 42 1.745 -3.672 -22.348 1.00 0.00 C ATOM 695 O VAL A 42 1.100 -4.643 -21.948 1.00 0.00 O ATOM 696 CB VAL A 42 0.452 -1.953 -23.808 1.00 0.00 C ATOM 697 CG1 VAL A 42 0.499 -0.960 -22.636 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.670 -1.181 -25.115 1.00 0.00 C ATOM 0 H VAL A 42 0.046 -4.424 -24.451 1.00 0.00 H new ATOM 0 HA VAL A 42 2.420 -2.638 -24.080 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.527 -2.429 -23.755 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.267 -0.197 -22.775 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.317 -1.491 -21.702 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.480 -0.487 -22.599 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.054 -0.369 -25.183 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.679 -0.769 -25.130 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.540 -1.855 -25.962 1.00 0.00 H new ATOM 708 N GLU A 43 2.694 -3.092 -21.617 1.00 0.00 N ATOM 709 CA GLU A 43 3.105 -3.532 -20.294 1.00 0.00 C ATOM 710 C GLU A 43 3.227 -2.295 -19.415 1.00 0.00 C ATOM 711 O GLU A 43 3.623 -1.228 -19.892 1.00 0.00 O ATOM 712 CB GLU A 43 4.440 -4.280 -20.398 1.00 0.00 C ATOM 713 CG GLU A 43 4.805 -5.061 -19.124 1.00 0.00 C ATOM 714 CD GLU A 43 6.138 -5.823 -19.229 1.00 0.00 C ATOM 715 OE1 GLU A 43 6.456 -6.406 -20.295 1.00 0.00 O ATOM 716 OE2 GLU A 43 6.898 -5.815 -18.236 1.00 0.00 O ATOM 0 H GLU A 43 3.213 -2.277 -21.944 1.00 0.00 H new ATOM 0 HA GLU A 43 2.377 -4.216 -19.857 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.395 -4.972 -21.239 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.233 -3.564 -20.616 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.858 -4.367 -18.285 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.007 -5.770 -18.901 1.00 0.00 H new ATOM 723 N ILE A 44 2.884 -2.432 -18.139 1.00 0.00 N ATOM 724 CA ILE A 44 2.799 -1.341 -17.189 1.00 0.00 C ATOM 725 C ILE A 44 3.342 -1.884 -15.866 1.00 0.00 C ATOM 726 O ILE A 44 3.108 -3.052 -15.543 1.00 0.00 O ATOM 727 CB ILE A 44 1.327 -0.881 -17.030 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.424 -1.054 -18.283 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.322 0.576 -16.536 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.042 -0.664 -18.070 1.00 0.00 C ATOM 0 H ILE A 44 2.651 -3.337 -17.729 1.00 0.00 H new ATOM 0 HA ILE A 44 3.371 -0.475 -17.522 1.00 0.00 H new ATOM 0 HB ILE A 44 0.873 -1.551 -16.300 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.832 -0.452 -19.095 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.467 -2.095 -18.605 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.293 0.917 -16.418 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.836 0.637 -15.577 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.833 1.208 -17.262 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.597 -0.817 -18.995 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.472 -1.283 -17.282 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.101 0.385 -17.780 1.00 0.00 H new ATOM 742 N LEU A 45 4.032 -1.062 -15.077 1.00 0.00 N ATOM 743 CA LEU A 45 4.548 -1.459 -13.766 1.00 0.00 C ATOM 744 C LEU A 45 4.577 -0.217 -12.889 1.00 0.00 C ATOM 745 O LEU A 45 5.080 0.804 -13.350 1.00 0.00 O ATOM 746 CB LEU A 45 5.942 -2.082 -13.952 1.00 0.00 C ATOM 747 CG LEU A 45 6.668 -2.418 -12.631 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.476 -3.711 -12.787 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.629 -1.300 -12.217 1.00 0.00 C ATOM 0 H LEU A 45 4.250 -0.098 -15.329 1.00 0.00 H new ATOM 0 HA LEU A 45 3.920 -2.208 -13.284 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.844 -2.994 -14.542 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.561 -1.394 -14.529 1.00 0.00 H new ATOM 0 HG LEU A 45 5.903 -2.534 -11.863 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.984 -3.938 -11.850 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.805 -4.531 -13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.215 -3.585 -13.578 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.122 -1.571 -11.283 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.379 -1.158 -12.995 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.071 -0.374 -12.077 1.00 0.00 H new ATOM 761 N ALA A 46 4.031 -0.269 -11.670 1.00 0.00 N ATOM 762 CA ALA A 46 3.950 0.889 -10.781 1.00 0.00 C ATOM 763 C ALA A 46 3.797 0.455 -9.329 1.00 0.00 C ATOM 764 O ALA A 46 3.230 -0.608 -9.063 1.00 0.00 O ATOM 765 CB ALA A 46 2.728 1.743 -11.146 1.00 0.00 C ATOM 0 H ALA A 46 3.632 -1.120 -11.273 1.00 0.00 H new ATOM 0 HA ALA A 46 4.871 1.459 -10.899 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.674 2.604 -10.480 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.819 2.087 -12.176 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.822 1.146 -11.041 1.00 0.00 H new ATOM 771 N GLU A 47 4.226 1.314 -8.403 1.00 0.00 N ATOM 772 CA GLU A 47 3.956 1.205 -6.974 1.00 0.00 C ATOM 773 C GLU A 47 2.699 2.016 -6.617 1.00 0.00 C ATOM 774 O GLU A 47 2.346 2.969 -7.324 1.00 0.00 O ATOM 775 CB GLU A 47 5.170 1.662 -6.146 1.00 0.00 C ATOM 776 CG GLU A 47 5.602 3.122 -6.364 1.00 0.00 C ATOM 777 CD GLU A 47 6.653 3.543 -5.328 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.826 3.129 -5.469 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.307 4.274 -4.372 1.00 0.00 O ATOM 0 H GLU A 47 4.790 2.131 -8.638 1.00 0.00 H new ATOM 0 HA GLU A 47 3.774 0.158 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.942 1.522 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.013 1.012 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.009 3.239 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.733 3.777 -6.293 1.00 0.00 H new ATOM 786 N GLY A 48 2.040 1.675 -5.503 1.00 0.00 N ATOM 787 CA GLY A 48 0.900 2.418 -4.977 1.00 0.00 C ATOM 788 C GLY A 48 0.172 1.665 -3.863 1.00 0.00 C ATOM 789 O GLY A 48 0.579 0.560 -3.498 1.00 0.00 O ATOM 0 H GLY A 48 2.291 0.864 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.242 3.380 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.201 2.626 -5.787 1.00 0.00 H new ATOM 793 N PRO A 49 -0.881 2.256 -3.271 1.00 0.00 N ATOM 794 CA PRO A 49 -1.759 1.544 -2.356 1.00 0.00 C ATOM 795 C PRO A 49 -2.693 0.612 -3.137 1.00 0.00 C ATOM 796 O PRO A 49 -2.982 0.849 -4.312 1.00 0.00 O ATOM 797 CB PRO A 49 -2.502 2.631 -1.577 1.00 0.00 C ATOM 798 CG PRO A 49 -2.555 3.803 -2.554 1.00 0.00 C ATOM 799 CD PRO A 49 -1.284 3.651 -3.395 1.00 0.00 C ATOM 0 HA PRO A 49 -1.220 0.895 -1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.501 2.305 -1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.976 2.897 -0.660 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.450 3.763 -3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.573 4.758 -2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.473 3.911 -4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.498 4.317 -3.038 1.00 0.00 H new ATOM 807 N GLU A 50 -3.187 -0.441 -2.478 1.00 0.00 N ATOM 808 CA GLU A 50 -3.947 -1.513 -3.120 1.00 0.00 C ATOM 809 C GLU A 50 -5.165 -0.965 -3.867 1.00 0.00 C ATOM 810 O GLU A 50 -5.367 -1.298 -5.034 1.00 0.00 O ATOM 811 CB GLU A 50 -4.355 -2.549 -2.057 1.00 0.00 C ATOM 812 CG GLU A 50 -5.066 -3.770 -2.661 1.00 0.00 C ATOM 813 CD GLU A 50 -5.413 -4.811 -1.581 1.00 0.00 C ATOM 814 OE1 GLU A 50 -6.459 -4.670 -0.906 1.00 0.00 O ATOM 815 OE2 GLU A 50 -4.658 -5.794 -1.408 1.00 0.00 O ATOM 0 H GLU A 50 -3.068 -0.572 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.318 -1.999 -3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.467 -2.880 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.012 -2.075 -1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.978 -3.449 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.428 -4.227 -3.417 1.00 0.00 H new ATOM 822 N ASN A 51 -5.950 -0.090 -3.229 1.00 0.00 N ATOM 823 CA ASN A 51 -7.149 0.469 -3.854 1.00 0.00 C ATOM 824 C ASN A 51 -6.798 1.274 -5.102 1.00 0.00 C ATOM 825 O ASN A 51 -7.515 1.192 -6.101 1.00 0.00 O ATOM 826 CB ASN A 51 -7.920 1.359 -2.868 1.00 0.00 C ATOM 827 CG ASN A 51 -9.098 2.035 -3.567 1.00 0.00 C ATOM 828 OD1 ASN A 51 -8.984 3.158 -4.052 1.00 0.00 O ATOM 829 ND2 ASN A 51 -10.236 1.369 -3.660 1.00 0.00 N ATOM 0 H ASN A 51 -5.775 0.245 -2.281 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.782 -0.369 -4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.281 0.759 -2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.253 2.115 -2.453 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.034 1.787 -4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.316 0.437 -3.253 1.00 0.00 H new ATOM 836 N ALA A 52 -5.702 2.040 -5.068 1.00 0.00 N ATOM 837 CA ALA A 52 -5.298 2.838 -6.215 1.00 0.00 C ATOM 838 C ALA A 52 -4.900 1.926 -7.373 1.00 0.00 C ATOM 839 O ALA A 52 -5.353 2.122 -8.501 1.00 0.00 O ATOM 840 CB ALA A 52 -4.151 3.773 -5.830 1.00 0.00 C ATOM 0 H ALA A 52 -5.086 2.120 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.139 3.451 -6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.858 4.365 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.476 4.438 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.300 3.184 -5.488 1.00 0.00 H new ATOM 846 N LEU A 53 -4.089 0.909 -7.076 1.00 0.00 N ATOM 847 CA LEU A 53 -3.592 -0.041 -8.060 1.00 0.00 C ATOM 848 C LEU A 53 -4.750 -0.809 -8.695 1.00 0.00 C ATOM 849 O LEU A 53 -4.784 -0.971 -9.911 1.00 0.00 O ATOM 850 CB LEU A 53 -2.587 -0.991 -7.386 1.00 0.00 C ATOM 851 CG LEU A 53 -1.267 -0.313 -6.958 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.514 -1.255 -6.027 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.332 0.041 -8.115 1.00 0.00 C ATOM 0 H LEU A 53 -3.757 0.724 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.081 0.494 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.056 -1.435 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.358 -1.807 -8.072 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.552 0.624 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.421 -0.789 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.125 -1.464 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.299 -2.187 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.569 0.513 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.061 -0.866 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.836 0.730 -8.793 1.00 0.00 H new ATOM 865 N GLN A 54 -5.724 -1.252 -7.901 1.00 0.00 N ATOM 866 CA GLN A 54 -6.861 -2.009 -8.410 1.00 0.00 C ATOM 867 C GLN A 54 -7.822 -1.127 -9.212 1.00 0.00 C ATOM 868 O GLN A 54 -8.315 -1.553 -10.257 1.00 0.00 O ATOM 869 CB GLN A 54 -7.581 -2.733 -7.259 1.00 0.00 C ATOM 870 CG GLN A 54 -6.749 -3.886 -6.664 1.00 0.00 C ATOM 871 CD GLN A 54 -6.430 -4.987 -7.682 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.314 -5.526 -8.343 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.164 -5.341 -7.848 1.00 0.00 N ATOM 0 H GLN A 54 -5.745 -1.096 -6.893 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.481 -2.762 -9.101 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.812 -2.015 -6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.531 -3.126 -7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.816 -3.485 -6.267 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.291 -4.322 -5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.432 -4.891 -7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.921 -6.063 -8.526 1.00 0.00 H new ATOM 882 N SER A 55 -8.057 0.112 -8.782 1.00 0.00 N ATOM 883 CA SER A 55 -8.887 1.050 -9.539 1.00 0.00 C ATOM 884 C SER A 55 -8.245 1.339 -10.904 1.00 0.00 C ATOM 885 O SER A 55 -8.932 1.385 -11.926 1.00 0.00 O ATOM 886 CB SER A 55 -9.090 2.343 -8.743 1.00 0.00 C ATOM 887 OG SER A 55 -9.651 2.079 -7.468 1.00 0.00 O ATOM 0 H SER A 55 -7.684 0.491 -7.912 1.00 0.00 H new ATOM 0 HA SER A 55 -9.866 0.601 -9.709 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.134 2.853 -8.624 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.744 3.016 -9.298 1.00 0.00 H new ATOM 0 HG SER A 55 -8.935 2.021 -6.801 1.00 0.00 H new ATOM 893 N PHE A 56 -6.917 1.472 -10.938 1.00 0.00 N ATOM 894 CA PHE A 56 -6.162 1.580 -12.171 1.00 0.00 C ATOM 895 C PHE A 56 -6.350 0.328 -13.032 1.00 0.00 C ATOM 896 O PHE A 56 -6.638 0.476 -14.215 1.00 0.00 O ATOM 897 CB PHE A 56 -4.694 1.850 -11.835 1.00 0.00 C ATOM 898 CG PHE A 56 -3.779 1.902 -13.035 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.356 0.708 -13.655 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.325 3.143 -13.517 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.520 0.761 -14.782 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.445 3.179 -14.605 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.066 2.000 -15.258 1.00 0.00 C ATOM 0 H PHE A 56 -6.338 1.507 -10.099 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.531 2.416 -12.764 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.625 2.797 -11.299 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.340 1.073 -11.157 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.675 -0.247 -13.263 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.653 4.061 -13.051 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.227 -0.151 -15.281 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.054 4.127 -14.944 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.425 2.044 -16.126 1.00 0.00 H new ATOM 913 N VAL A 57 -6.241 -0.887 -12.476 1.00 0.00 N ATOM 914 CA VAL A 57 -6.472 -2.119 -13.237 1.00 0.00 C ATOM 915 C VAL A 57 -7.848 -2.054 -13.910 1.00 0.00 C ATOM 916 O VAL A 57 -7.939 -2.343 -15.103 1.00 0.00 O ATOM 917 CB VAL A 57 -6.290 -3.368 -12.340 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.804 -4.665 -12.986 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.812 -3.593 -11.990 1.00 0.00 C ATOM 0 H VAL A 57 -5.993 -1.041 -11.499 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.726 -2.210 -14.027 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.880 -3.156 -11.448 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.645 -5.499 -12.303 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.869 -4.568 -13.199 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.263 -4.848 -13.915 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.718 -4.477 -11.360 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.239 -3.738 -12.906 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.428 -2.724 -11.456 1.00 0.00 H new ATOM 929 N GLU A 58 -8.895 -1.614 -13.203 1.00 0.00 N ATOM 930 CA GLU A 58 -10.222 -1.464 -13.793 1.00 0.00 C ATOM 931 C GLU A 58 -10.216 -0.435 -14.930 1.00 0.00 C ATOM 932 O GLU A 58 -10.806 -0.685 -15.978 1.00 0.00 O ATOM 933 CB GLU A 58 -11.262 -1.087 -12.724 1.00 0.00 C ATOM 934 CG GLU A 58 -11.506 -2.187 -11.682 1.00 0.00 C ATOM 935 CD GLU A 58 -12.204 -3.422 -12.281 1.00 0.00 C ATOM 936 OE1 GLU A 58 -13.451 -3.420 -12.402 1.00 0.00 O ATOM 937 OE2 GLU A 58 -11.519 -4.414 -12.617 1.00 0.00 O ATOM 0 H GLU A 58 -8.844 -1.356 -12.218 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.503 -2.428 -14.217 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.933 -0.182 -12.213 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.205 -0.850 -13.216 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.553 -2.488 -11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.115 -1.787 -10.872 1.00 0.00 H new ATOM 944 N ALA A 59 -9.524 0.693 -14.755 1.00 0.00 N ATOM 945 CA ALA A 59 -9.398 1.741 -15.767 1.00 0.00 C ATOM 946 C ALA A 59 -8.730 1.223 -17.047 1.00 0.00 C ATOM 947 O ALA A 59 -9.173 1.587 -18.138 1.00 0.00 O ATOM 948 CB ALA A 59 -8.632 2.933 -15.177 1.00 0.00 C ATOM 0 H ALA A 59 -9.027 0.906 -13.890 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.398 2.068 -16.052 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.538 3.714 -15.931 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.174 3.323 -14.316 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.639 2.609 -14.865 1.00 0.00 H new ATOM 954 N VAL A 60 -7.706 0.365 -16.946 1.00 0.00 N ATOM 955 CA VAL A 60 -7.119 -0.254 -18.137 1.00 0.00 C ATOM 956 C VAL A 60 -8.122 -1.268 -18.703 1.00 0.00 C ATOM 957 O VAL A 60 -8.502 -1.175 -19.869 1.00 0.00 O ATOM 958 CB VAL A 60 -5.745 -0.916 -17.858 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.002 -1.163 -19.179 1.00 0.00 C ATOM 960 CG2 VAL A 60 -4.802 -0.058 -17.005 1.00 0.00 C ATOM 0 H VAL A 60 -7.274 0.088 -16.065 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.921 0.528 -18.870 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.981 -1.834 -17.320 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.038 -1.628 -18.973 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.595 -1.823 -19.812 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.845 -0.214 -19.691 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.863 -0.590 -16.854 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.607 0.885 -17.515 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.265 0.141 -16.039 1.00 0.00 H new ATOM 970 N LYS A 61 -8.579 -2.220 -17.878 1.00 0.00 N ATOM 971 CA LYS A 61 -9.372 -3.373 -18.305 1.00 0.00 C ATOM 972 C LYS A 61 -10.673 -2.954 -18.985 1.00 0.00 C ATOM 973 O LYS A 61 -11.071 -3.577 -19.969 1.00 0.00 O ATOM 974 CB LYS A 61 -9.645 -4.264 -17.080 1.00 0.00 C ATOM 975 CG LYS A 61 -10.347 -5.582 -17.442 1.00 0.00 C ATOM 976 CD LYS A 61 -10.484 -6.486 -16.209 1.00 0.00 C ATOM 977 CE LYS A 61 -11.177 -7.801 -16.595 1.00 0.00 C ATOM 978 NZ LYS A 61 -11.356 -8.705 -15.431 1.00 0.00 N ATOM 0 H LYS A 61 -8.402 -2.206 -16.874 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.807 -3.934 -19.050 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.701 -4.486 -16.581 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.260 -3.715 -16.368 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.333 -5.372 -17.855 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.781 -6.100 -18.216 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.500 -6.694 -15.789 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.059 -5.976 -15.436 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.150 -7.581 -17.035 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.589 -8.309 -17.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.827 -9.579 -15.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.427 -8.937 -15.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.939 -8.233 -14.711 1.00 0.00 H new ATOM 992 N ASN A 62 -11.325 -1.901 -18.483 1.00 0.00 N ATOM 993 CA ASN A 62 -12.570 -1.390 -19.048 1.00 0.00 C ATOM 994 C ASN A 62 -12.379 -0.897 -20.484 1.00 0.00 C ATOM 995 O ASN A 62 -13.335 -0.908 -21.258 1.00 0.00 O ATOM 996 CB ASN A 62 -13.124 -0.248 -18.182 1.00 0.00 C ATOM 997 CG ASN A 62 -14.471 0.237 -18.716 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.450 -0.504 -18.722 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.560 1.475 -19.169 1.00 0.00 N ATOM 0 H ASN A 62 -11.000 -1.379 -17.669 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.282 -2.215 -19.062 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.238 -0.589 -17.153 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.415 0.580 -18.167 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.449 1.824 -19.528 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.740 2.082 -19.159 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.160 -0.480 -20.852 1.00 0.00 N ATOM 1007 CA GLY A 63 -10.883 0.086 -22.161 1.00 0.00 C ATOM 1008 C GLY A 63 -11.736 1.330 -22.393 1.00 0.00 C ATOM 1009 O GLY A 63 -12.411 1.436 -23.416 1.00 0.00 O ATOM 0 H GLY A 63 -10.343 -0.530 -20.243 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.826 0.342 -22.237 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.089 -0.653 -22.935 1.00 0.00 H new ATOM 1013 N SER A 64 -11.769 2.222 -21.400 1.00 0.00 N ATOM 1014 CA SER A 64 -12.540 3.457 -21.423 1.00 0.00 C ATOM 1015 C SER A 64 -12.275 4.340 -22.670 1.00 0.00 C ATOM 1016 O SER A 64 -13.244 4.904 -23.188 1.00 0.00 O ATOM 1017 CB SER A 64 -12.299 4.203 -20.098 1.00 0.00 C ATOM 1018 OG SER A 64 -12.369 3.300 -19.002 1.00 0.00 O ATOM 0 H SER A 64 -11.243 2.097 -20.535 1.00 0.00 H new ATOM 0 HA SER A 64 -13.596 3.203 -21.512 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.322 4.686 -20.118 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.042 4.991 -19.976 1.00 0.00 H new ATOM 0 HG SER A 64 -12.212 3.787 -18.166 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.030 4.486 -23.179 1.00 0.00 N ATOM 1025 CA PRO A 65 -10.734 5.219 -24.417 1.00 0.00 C ATOM 1026 C PRO A 65 -11.301 4.579 -25.700 1.00 0.00 C ATOM 1027 O PRO A 65 -11.999 3.564 -25.682 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.202 5.306 -24.500 1.00 0.00 C ATOM 1029 CG PRO A 65 -8.752 5.102 -23.064 1.00 0.00 C ATOM 1030 CD PRO A 65 -9.778 4.109 -22.537 1.00 0.00 C ATOM 0 HA PRO A 65 -11.220 6.193 -24.368 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.793 4.542 -25.160 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.876 6.271 -24.889 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.738 4.706 -23.009 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.762 6.034 -22.499 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.500 3.085 -22.785 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.859 4.163 -21.451 1.00 0.00 H new ATOM 1038 N PHE A 66 -10.949 5.175 -26.846 1.00 0.00 N ATOM 1039 CA PHE A 66 -11.091 4.567 -28.170 1.00 0.00 C ATOM 1040 C PHE A 66 -10.212 3.309 -28.298 1.00 0.00 C ATOM 1041 O PHE A 66 -10.620 2.327 -28.923 1.00 0.00 O ATOM 1042 CB PHE A 66 -10.741 5.616 -29.245 1.00 0.00 C ATOM 1043 CG PHE A 66 -9.459 6.394 -28.989 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -8.207 5.851 -29.340 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -9.514 7.644 -28.339 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -7.023 6.529 -29.005 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -8.329 8.327 -28.014 1.00 0.00 C ATOM 1048 CZ PHE A 66 -7.082 7.765 -28.337 1.00 0.00 C ATOM 0 H PHE A 66 -10.549 6.113 -26.877 1.00 0.00 H new ATOM 0 HA PHE A 66 -12.123 4.246 -28.313 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.657 5.113 -30.208 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -11.567 6.322 -29.325 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.157 4.910 -29.868 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.471 8.079 -28.090 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.065 6.100 -29.261 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.377 9.284 -27.516 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.171 8.281 -28.073 1.00 0.00 H new ATOM 1058 N SER A 67 -9.015 3.324 -27.707 1.00 0.00 N ATOM 1059 CA SER A 67 -8.197 2.142 -27.477 1.00 0.00 C ATOM 1060 C SER A 67 -8.875 1.292 -26.396 1.00 0.00 C ATOM 1061 O SER A 67 -9.353 1.842 -25.399 1.00 0.00 O ATOM 1062 CB SER A 67 -6.808 2.603 -27.021 1.00 0.00 C ATOM 1063 OG SER A 67 -6.191 3.390 -28.026 1.00 0.00 O ATOM 0 H SER A 67 -8.581 4.183 -27.368 1.00 0.00 H new ATOM 0 HA SER A 67 -8.092 1.544 -28.382 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.894 3.180 -26.100 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.186 1.736 -26.797 1.00 0.00 H new ATOM 0 HG SER A 67 -5.785 2.803 -28.698 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.914 -0.035 -26.561 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.532 -0.934 -25.586 1.00 0.00 C ATOM 1071 C LYS A 68 -8.799 -2.267 -25.530 1.00 0.00 C ATOM 1072 O LYS A 68 -8.223 -2.721 -26.521 1.00 0.00 O ATOM 1073 CB LYS A 68 -11.055 -1.089 -25.814 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.539 -2.066 -26.898 1.00 0.00 C ATOM 1075 CD LYS A 68 -11.162 -1.652 -28.325 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.746 -2.597 -29.390 1.00 0.00 C ATOM 1077 NZ LYS A 68 -13.223 -2.496 -29.514 1.00 0.00 N ATOM 0 H LYS A 68 -8.519 -0.512 -27.371 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.431 -0.476 -24.602 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.502 -1.395 -24.868 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.456 -0.104 -26.052 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.123 -3.053 -26.695 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.623 -2.158 -26.832 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.517 -0.638 -28.511 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.076 -1.632 -28.419 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.291 -2.373 -30.355 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.478 -3.624 -29.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.550 -3.118 -30.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.667 -2.786 -28.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.487 -1.513 -29.729 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.845 -2.882 -24.355 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.232 -4.165 -24.058 1.00 0.00 C ATOM 1093 C VAL A 69 -9.201 -5.268 -24.504 1.00 0.00 C ATOM 1094 O VAL A 69 -10.421 -5.083 -24.451 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.970 -4.212 -22.535 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -7.301 -5.508 -22.075 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -7.070 -3.058 -22.063 1.00 0.00 C ATOM 0 H VAL A 69 -9.331 -2.482 -23.552 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.287 -4.308 -24.582 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.964 -4.134 -22.095 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.146 -5.475 -20.997 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.940 -6.355 -22.324 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.340 -5.619 -22.576 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.915 -3.134 -20.987 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.108 -3.115 -22.573 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.548 -2.106 -22.294 1.00 0.00 H new ATOM 1107 N THR A 70 -8.666 -6.430 -24.872 1.00 0.00 N ATOM 1108 CA THR A 70 -9.422 -7.661 -25.089 1.00 0.00 C ATOM 1109 C THR A 70 -8.811 -8.834 -24.298 1.00 0.00 C ATOM 1110 O THR A 70 -9.464 -9.869 -24.152 1.00 0.00 O ATOM 1111 CB THR A 70 -9.540 -7.953 -26.599 1.00 0.00 C ATOM 1112 OG1 THR A 70 -8.272 -7.972 -27.226 1.00 0.00 O ATOM 1113 CG2 THR A 70 -10.385 -6.898 -27.327 1.00 0.00 C ATOM 0 H THR A 70 -7.665 -6.544 -25.032 1.00 0.00 H new ATOM 0 HA THR A 70 -10.434 -7.531 -24.706 1.00 0.00 H new ATOM 0 HB THR A 70 -10.018 -8.930 -26.669 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.382 -8.161 -28.181 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.440 -7.145 -28.387 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.390 -6.882 -26.905 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.925 -5.917 -27.206 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.602 -8.682 -23.736 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.971 -9.655 -22.844 1.00 0.00 C ATOM 1123 C ASP A 71 -6.034 -8.917 -21.887 1.00 0.00 C ATOM 1124 O ASP A 71 -5.352 -7.979 -22.303 1.00 0.00 O ATOM 1125 CB ASP A 71 -6.171 -10.682 -23.657 1.00 0.00 C ATOM 1126 CG ASP A 71 -5.428 -11.661 -22.733 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -6.094 -12.382 -21.958 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -4.181 -11.731 -22.796 1.00 0.00 O ATOM 0 H ASP A 71 -7.025 -7.856 -23.896 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.742 -10.180 -22.280 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.844 -11.235 -24.313 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.455 -10.166 -24.297 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.994 -9.329 -20.618 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.205 -8.700 -19.562 1.00 0.00 C ATOM 1135 C ILE A 72 -4.618 -9.795 -18.668 1.00 0.00 C ATOM 1136 O ILE A 72 -5.247 -10.837 -18.455 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.070 -7.674 -18.776 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.248 -6.950 -17.681 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.351 -8.289 -18.178 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -5.873 -5.642 -17.167 1.00 0.00 C ATOM 0 H ILE A 72 -6.527 -10.134 -20.289 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.376 -8.135 -19.988 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.390 -6.936 -19.512 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.114 -7.628 -16.838 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.256 -6.732 -18.076 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.908 -7.520 -17.643 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.969 -8.693 -18.980 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.083 -9.089 -17.488 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.228 -5.206 -16.404 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.981 -4.941 -17.994 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.853 -5.851 -16.738 1.00 0.00 H new ATOM 1152 N SER A 73 -3.443 -9.525 -18.103 1.00 0.00 N ATOM 1153 CA SER A 73 -2.814 -10.310 -17.054 1.00 0.00 C ATOM 1154 C SER A 73 -2.204 -9.321 -16.060 1.00 0.00 C ATOM 1155 O SER A 73 -1.726 -8.256 -16.460 1.00 0.00 O ATOM 1156 CB SER A 73 -1.735 -11.226 -17.656 1.00 0.00 C ATOM 1157 OG SER A 73 -2.249 -12.054 -18.691 1.00 0.00 O ATOM 0 H SER A 73 -2.883 -8.718 -18.379 1.00 0.00 H new ATOM 0 HA SER A 73 -3.538 -10.951 -16.552 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.922 -10.616 -18.051 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.312 -11.851 -16.870 1.00 0.00 H new ATOM 0 HG SER A 73 -1.530 -12.618 -19.046 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.225 -9.664 -14.772 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.743 -8.815 -13.690 1.00 0.00 C ATOM 1165 C VAL A 74 -0.967 -9.710 -12.721 1.00 0.00 C ATOM 1166 O VAL A 74 -1.358 -10.854 -12.468 1.00 0.00 O ATOM 1167 CB VAL A 74 -2.927 -8.094 -12.993 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.440 -7.077 -11.947 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -3.853 -7.375 -13.991 1.00 0.00 C ATOM 0 H VAL A 74 -2.586 -10.561 -14.448 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.088 -8.031 -14.069 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.495 -8.882 -12.498 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.299 -6.594 -11.482 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.856 -7.591 -11.184 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.819 -6.324 -12.433 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.664 -6.888 -13.449 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.283 -6.626 -14.542 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.269 -8.101 -14.690 1.00 0.00 H new ATOM 1179 N THR A 75 0.113 -9.170 -12.166 1.00 0.00 N ATOM 1180 CA THR A 75 0.892 -9.739 -11.076 1.00 0.00 C ATOM 1181 C THR A 75 1.042 -8.612 -10.048 1.00 0.00 C ATOM 1182 O THR A 75 1.042 -7.436 -10.423 1.00 0.00 O ATOM 1183 CB THR A 75 2.249 -10.234 -11.625 1.00 0.00 C ATOM 1184 OG1 THR A 75 2.068 -11.051 -12.771 1.00 0.00 O ATOM 1185 CG2 THR A 75 3.044 -11.050 -10.600 1.00 0.00 C ATOM 0 H THR A 75 0.487 -8.276 -12.483 1.00 0.00 H new ATOM 0 HA THR A 75 0.419 -10.604 -10.611 1.00 0.00 H new ATOM 0 HB THR A 75 2.807 -9.331 -11.873 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.941 -11.350 -13.101 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.987 -11.370 -11.043 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.245 -10.435 -9.723 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.466 -11.926 -10.305 1.00 0.00 H new ATOM 1193 N GLU A 76 1.163 -8.937 -8.762 1.00 0.00 N ATOM 1194 CA GLU A 76 1.258 -7.957 -7.691 1.00 0.00 C ATOM 1195 C GLU A 76 2.340 -8.364 -6.690 1.00 0.00 C ATOM 1196 O GLU A 76 2.659 -9.550 -6.554 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.121 -7.730 -7.041 1.00 0.00 C ATOM 1198 CG GLU A 76 -0.984 -8.974 -6.749 1.00 0.00 C ATOM 1199 CD GLU A 76 -0.338 -9.999 -5.802 1.00 0.00 C ATOM 1200 OE1 GLU A 76 0.056 -9.619 -4.676 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -0.273 -11.198 -6.158 1.00 0.00 O ATOM 0 H GLU A 76 1.198 -9.902 -8.434 1.00 0.00 H new ATOM 0 HA GLU A 76 1.564 -6.996 -8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.033 -7.200 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.694 -7.068 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.931 -8.649 -6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.216 -9.468 -7.693 1.00 0.00 H new ATOM 1208 N SER A 77 2.905 -7.363 -6.013 1.00 0.00 N ATOM 1209 CA SER A 77 4.069 -7.480 -5.144 1.00 0.00 C ATOM 1210 C SER A 77 3.995 -6.404 -4.054 1.00 0.00 C ATOM 1211 O SER A 77 3.130 -5.525 -4.091 1.00 0.00 O ATOM 1212 CB SER A 77 5.355 -7.304 -5.980 1.00 0.00 C ATOM 1213 OG SER A 77 5.406 -8.170 -7.104 1.00 0.00 O ATOM 0 H SER A 77 2.546 -6.409 -6.060 1.00 0.00 H new ATOM 0 HA SER A 77 4.084 -8.464 -4.675 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.422 -6.271 -6.320 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.222 -7.488 -5.346 1.00 0.00 H new ATOM 0 HG SER A 77 6.238 -8.016 -7.598 1.00 0.00 H new ATOM 1219 N ARG A 78 4.919 -6.445 -3.090 1.00 0.00 N ATOM 1220 CA ARG A 78 5.103 -5.414 -2.055 1.00 0.00 C ATOM 1221 C ARG A 78 6.368 -4.582 -2.325 1.00 0.00 C ATOM 1222 O ARG A 78 6.701 -3.692 -1.543 1.00 0.00 O ATOM 1223 CB ARG A 78 5.135 -6.101 -0.668 1.00 0.00 C ATOM 1224 CG ARG A 78 3.776 -6.181 0.055 1.00 0.00 C ATOM 1225 CD ARG A 78 2.577 -6.650 -0.779 1.00 0.00 C ATOM 1226 NE ARG A 78 2.710 -8.025 -1.298 1.00 0.00 N ATOM 1227 CZ ARG A 78 1.959 -8.536 -2.285 1.00 0.00 C ATOM 1228 NH1 ARG A 78 1.073 -7.792 -2.931 1.00 0.00 N ATOM 1229 NH2 ARG A 78 2.077 -9.798 -2.670 1.00 0.00 N ATOM 0 H ARG A 78 5.580 -7.217 -3.002 1.00 0.00 H new ATOM 0 HA ARG A 78 4.268 -4.713 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.524 -7.112 -0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.837 -5.564 -0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.883 -6.854 0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.546 -5.194 0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.676 -6.588 -0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.441 -5.967 -1.618 1.00 0.00 H new ATOM 0 HE ARG A 78 3.419 -8.626 -0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.952 -6.811 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.512 -8.201 -3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.753 -10.410 -2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.492 -10.158 -3.424 1.00 0.00 H new ATOM 1243 N SER A 79 7.077 -4.870 -3.417 1.00 0.00 N ATOM 1244 CA SER A 79 8.359 -4.298 -3.798 1.00 0.00 C ATOM 1245 C SER A 79 8.217 -2.844 -4.276 1.00 0.00 C ATOM 1246 O SER A 79 8.250 -2.567 -5.476 1.00 0.00 O ATOM 1247 CB SER A 79 8.994 -5.209 -4.863 1.00 0.00 C ATOM 1248 OG SER A 79 8.872 -6.577 -4.491 1.00 0.00 O ATOM 0 H SER A 79 6.746 -5.553 -4.099 1.00 0.00 H new ATOM 0 HA SER A 79 9.016 -4.252 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.510 -5.044 -5.826 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.046 -4.953 -4.987 1.00 0.00 H new ATOM 0 HG SER A 79 9.280 -7.141 -5.181 1.00 0.00 H new ATOM 1254 N LEU A 80 8.027 -1.904 -3.346 1.00 0.00 N ATOM 1255 CA LEU A 80 8.125 -0.472 -3.631 1.00 0.00 C ATOM 1256 C LEU A 80 9.497 -0.138 -4.222 1.00 0.00 C ATOM 1257 O LEU A 80 10.493 -0.817 -3.955 1.00 0.00 O ATOM 1258 CB LEU A 80 7.850 0.362 -2.363 1.00 0.00 C ATOM 1259 CG LEU A 80 6.424 0.936 -2.341 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.351 -0.158 -2.371 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.224 1.811 -1.099 1.00 0.00 C ATOM 0 H LEU A 80 7.801 -2.116 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 80 7.364 -0.215 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.003 -0.260 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.569 1.179 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 80 6.311 1.536 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.363 0.301 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.460 -0.750 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.466 -0.804 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.210 2.211 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.380 1.211 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.939 2.634 -1.115 1.00 0.00 H new ATOM 1273 N GLU A 81 9.545 0.939 -5.002 1.00 0.00 N ATOM 1274 CA GLU A 81 10.670 1.297 -5.857 1.00 0.00 C ATOM 1275 C GLU A 81 11.298 2.620 -5.400 1.00 0.00 C ATOM 1276 O GLU A 81 12.479 2.868 -5.651 1.00 0.00 O ATOM 1277 CB GLU A 81 10.160 1.471 -7.299 1.00 0.00 C ATOM 1278 CG GLU A 81 9.285 0.324 -7.828 1.00 0.00 C ATOM 1279 CD GLU A 81 8.648 0.654 -9.187 1.00 0.00 C ATOM 1280 OE1 GLU A 81 9.346 1.161 -10.094 1.00 0.00 O ATOM 1281 OE2 GLU A 81 7.448 0.332 -9.341 1.00 0.00 O ATOM 0 H GLU A 81 8.776 1.607 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 81 11.420 0.508 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.589 2.398 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.019 1.585 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.890 -0.578 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.499 0.106 -7.105 1.00 0.00 H new ATOM 1288 N GLY A 82 10.505 3.477 -4.748 1.00 0.00 N ATOM 1289 CA GLY A 82 10.823 4.882 -4.549 1.00 0.00 C ATOM 1290 C GLY A 82 10.501 5.691 -5.809 1.00 0.00 C ATOM 1291 O GLY A 82 11.119 6.735 -6.031 1.00 0.00 O ATOM 0 H GLY A 82 9.611 3.203 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.256 5.273 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.879 4.990 -4.301 1.00 0.00 H new ATOM 1295 N HIS A 83 9.584 5.215 -6.662 1.00 0.00 N ATOM 1296 CA HIS A 83 9.168 5.949 -7.853 1.00 0.00 C ATOM 1297 C HIS A 83 8.316 7.147 -7.409 1.00 0.00 C ATOM 1298 O HIS A 83 7.486 7.015 -6.507 1.00 0.00 O ATOM 1299 CB HIS A 83 8.409 5.023 -8.826 1.00 0.00 C ATOM 1300 CG HIS A 83 8.849 5.166 -10.266 1.00 0.00 C ATOM 1301 ND1 HIS A 83 8.243 5.900 -11.265 1.00 0.00 N ATOM 1302 CD2 HIS A 83 9.921 4.534 -10.840 1.00 0.00 C ATOM 1303 CE1 HIS A 83 8.925 5.704 -12.405 1.00 0.00 C ATOM 1304 NE2 HIS A 83 9.970 4.883 -12.197 1.00 0.00 N ATOM 0 H HIS A 83 9.116 4.317 -6.543 1.00 0.00 H new ATOM 0 HA HIS A 83 10.039 6.318 -8.395 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.549 3.988 -8.513 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.342 5.235 -8.758 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.418 6.490 -11.156 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.612 3.877 -10.332 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.670 6.145 -13.357 1.00 0.00 H new ATOM 1312 N HIS A 84 8.502 8.305 -8.053 1.00 0.00 N ATOM 1313 CA HIS A 84 7.841 9.569 -7.697 1.00 0.00 C ATOM 1314 C HIS A 84 7.289 10.294 -8.941 1.00 0.00 C ATOM 1315 O HIS A 84 6.946 11.477 -8.881 1.00 0.00 O ATOM 1316 CB HIS A 84 8.821 10.451 -6.896 1.00 0.00 C ATOM 1317 CG HIS A 84 9.018 10.014 -5.463 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.903 9.068 -4.993 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.354 10.514 -4.373 1.00 0.00 C ATOM 1320 CE1 HIS A 84 9.769 8.995 -3.659 1.00 0.00 C ATOM 1321 NE2 HIS A 84 8.835 9.864 -3.228 1.00 0.00 N ATOM 0 H HIS A 84 9.129 8.393 -8.853 1.00 0.00 H new ATOM 0 HA HIS A 84 6.978 9.353 -7.068 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.787 10.451 -7.400 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.457 11.478 -6.904 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.548 8.518 -5.560 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.591 11.278 -4.393 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.332 8.331 -3.020 1.00 0.00 H new ATOM 1329 N ARG A 85 7.198 9.598 -10.079 1.00 0.00 N ATOM 1330 CA ARG A 85 6.675 10.109 -11.347 1.00 0.00 C ATOM 1331 C ARG A 85 6.030 8.962 -12.120 1.00 0.00 C ATOM 1332 O ARG A 85 6.209 7.799 -11.740 1.00 0.00 O ATOM 1333 CB ARG A 85 7.810 10.767 -12.160 1.00 0.00 C ATOM 1334 CG ARG A 85 9.007 9.834 -12.452 1.00 0.00 C ATOM 1335 CD ARG A 85 9.948 10.425 -13.509 1.00 0.00 C ATOM 1336 NE ARG A 85 9.282 10.458 -14.820 1.00 0.00 N ATOM 1337 CZ ARG A 85 9.324 11.433 -15.731 1.00 0.00 C ATOM 1338 NH1 ARG A 85 10.220 12.414 -15.652 1.00 0.00 N ATOM 1339 NH2 ARG A 85 8.435 11.406 -16.717 1.00 0.00 N ATOM 0 H ARG A 85 7.499 8.625 -10.143 1.00 0.00 H new ATOM 0 HA ARG A 85 5.918 10.871 -11.158 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.403 11.124 -13.106 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.170 11.641 -11.618 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.562 9.656 -11.531 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.639 8.867 -12.794 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.246 11.433 -13.219 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.858 9.829 -13.570 1.00 0.00 H new ATOM 0 HE ARG A 85 8.722 9.640 -15.061 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.892 12.430 -14.885 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.235 13.149 -16.359 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.746 10.655 -16.762 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.441 12.136 -17.429 1.00 0.00 H new ATOM 1353 N PHE A 86 5.353 9.263 -13.226 1.00 0.00 N ATOM 1354 CA PHE A 86 5.072 8.269 -14.253 1.00 0.00 C ATOM 1355 C PHE A 86 6.108 8.422 -15.367 1.00 0.00 C ATOM 1356 O PHE A 86 6.625 9.521 -15.592 1.00 0.00 O ATOM 1357 CB PHE A 86 3.632 8.390 -14.771 1.00 0.00 C ATOM 1358 CG PHE A 86 3.257 9.702 -15.440 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.679 9.985 -16.756 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.429 10.617 -14.765 1.00 0.00 C ATOM 1361 CE1 PHE A 86 3.300 11.187 -17.379 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.056 11.824 -15.387 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.492 12.110 -16.692 1.00 0.00 C ATOM 0 H PHE A 86 4.988 10.193 -13.432 1.00 0.00 H new ATOM 0 HA PHE A 86 5.151 7.266 -13.833 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.457 7.583 -15.482 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.954 8.229 -13.933 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.296 9.275 -17.287 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.079 10.393 -13.768 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.629 11.401 -18.385 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.433 12.532 -14.860 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.207 13.037 -17.166 1.00 0.00 H new ATOM 1373 N SER A 87 6.382 7.344 -16.096 1.00 0.00 N ATOM 1374 CA SER A 87 7.388 7.312 -17.150 1.00 0.00 C ATOM 1375 C SER A 87 6.880 6.490 -18.336 1.00 0.00 C ATOM 1376 O SER A 87 6.013 5.619 -18.195 1.00 0.00 O ATOM 1377 CB SER A 87 8.696 6.753 -16.576 1.00 0.00 C ATOM 1378 OG SER A 87 9.126 7.538 -15.472 1.00 0.00 O ATOM 0 H SER A 87 5.902 6.453 -15.968 1.00 0.00 H new ATOM 0 HA SER A 87 7.582 8.319 -17.519 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.551 5.720 -16.261 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.466 6.746 -17.348 1.00 0.00 H new ATOM 0 HG SER A 87 9.961 7.170 -15.114 1.00 0.00 H new ATOM 1384 N ILE A 88 7.395 6.785 -19.526 1.00 0.00 N ATOM 1385 CA ILE A 88 6.885 6.256 -20.781 1.00 0.00 C ATOM 1386 C ILE A 88 8.120 5.846 -21.578 1.00 0.00 C ATOM 1387 O ILE A 88 8.921 6.698 -21.971 1.00 0.00 O ATOM 1388 CB ILE A 88 6.006 7.312 -21.505 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.911 7.896 -20.578 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.361 6.669 -22.742 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.926 8.867 -21.242 1.00 0.00 C ATOM 0 H ILE A 88 8.193 7.410 -19.644 1.00 0.00 H new ATOM 0 HA ILE A 88 6.227 5.398 -20.642 1.00 0.00 H new ATOM 0 HB ILE A 88 6.650 8.140 -21.803 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.345 7.069 -20.150 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.398 8.411 -19.750 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.743 7.406 -23.254 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.141 6.317 -23.417 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.741 5.827 -22.433 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.204 9.214 -20.503 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.472 9.720 -21.645 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.402 8.357 -22.050 1.00 0.00 H new ATOM 1403 N VAL A 89 8.303 4.540 -21.771 1.00 0.00 N ATOM 1404 CA VAL A 89 9.361 4.015 -22.620 1.00 0.00 C ATOM 1405 C VAL A 89 8.996 4.405 -24.059 1.00 0.00 C ATOM 1406 O VAL A 89 7.827 4.333 -24.457 1.00 0.00 O ATOM 1407 CB VAL A 89 9.501 2.488 -22.415 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.690 1.922 -23.206 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.714 2.122 -20.933 1.00 0.00 C ATOM 0 H VAL A 89 7.721 3.821 -21.342 1.00 0.00 H new ATOM 0 HA VAL A 89 10.338 4.431 -22.373 1.00 0.00 H new ATOM 0 HB VAL A 89 8.567 2.055 -22.772 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.759 0.847 -23.039 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.545 2.116 -24.269 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.610 2.401 -22.872 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.807 1.040 -20.835 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.623 2.599 -20.567 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.862 2.467 -20.347 1.00 0.00 H new