USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 HIS : no HE2:sc= -0.0828 K(o=-4.4,f=-5.7) USER MOD Set 2.2: A 81 HIS : no HD1:sc= -4.35! C(o=-4.4!,f=-9.4!) USER MOD Set 3.1: A 12 ASN : amide:sc= 1.62 K(o=2.8,f=-1.1) USER MOD Set 3.2: A 46 SER OG : rot -158:sc= 1.2 USER MOD Set 4.1: A 23 ASN : amide:sc= 0.0984 K(o=0.88,f=0.29) USER MOD Set 4.2: A 28 LYS NZ :NH3+ -147:sc= 0.778 (180deg=0.472) USER MOD Set 5.1: A 27 CYS SG : rot -111:sc= 0.694 USER MOD Set 5.2: A 37 CYS SG : rot 37:sc= 0.263 USER MOD Set 6.1: A 22 CYS SG : rot 152:sc= -2.18 USER MOD Set 6.2: A 54 GLN : amide:sc= -0.692 K(o=-2.9,f=-3.6) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.421 (180deg=-0.487) USER MOD Single : A 1 MET N :NH3+ 140:sc=-0.00116 (180deg=-0.125) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -60:sc= 1.27 USER MOD Single : A 17 GLN : amide:sc= -0.0142 K(o=-0.014,f=-3.8!) USER MOD Single : A 20 THR OG1 : rot -12:sc= 1.31 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -51:sc= 0.351 USER MOD Single : A 26 TYR OH : rot 17:sc= 1.28 USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0.515 (180deg=0.429) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= 0.161 USER MOD Single : A 32 TYR OH : rot 112:sc= 0.274 USER MOD Single : A 33 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.4) USER MOD Single : A 35 GLN : amide:sc= -0.0328 X(o=-0.033,f=-0.033) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 56:sc= 0.369 USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 2.11 (180deg=1.99) USER MOD Single : A 47 TYR OH : rot -99:sc= 0.39 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 143:sc= 1.88 (180deg=1.08) USER MOD Single : A 60 GLN : amide:sc= 0.0873 K(o=0.087,f=-2.9!) USER MOD Single : A 62 ASN : amide:sc= -0.54 X(o=-0.54,f=-0.26) USER MOD Single : A 63 GLN : amide:sc= 0.227 K(o=0.23,f=-1.1) USER MOD Single : A 65 HIS : no HD1:sc= -0.674 X(o=-0.67,f=-0.99) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 72 GLN : amide:sc= 0.294 K(o=0.29,f=-2.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= 0.0907 K(o=0.091,f=-0.8) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 1.23 (180deg=0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.849 4.399 -1.690 1.00 0.00 N ATOM 2 CA MET A 1 10.427 4.853 -1.817 1.00 0.00 C ATOM 3 C MET A 1 9.994 6.134 -1.043 1.00 0.00 C ATOM 4 O MET A 1 9.395 7.068 -1.570 1.00 0.00 O ATOM 5 CB MET A 1 9.454 3.663 -1.579 1.00 0.00 C ATOM 6 CG MET A 1 9.464 2.471 -2.567 1.00 0.00 C ATOM 7 SD MET A 1 8.609 1.041 -1.820 1.00 0.00 S ATOM 8 CE MET A 1 8.789 -0.093 -3.240 1.00 0.00 C ATOM 0 H1 MET A 1 11.877 3.362 -1.620 1.00 0.00 H new ATOM 0 H2 MET A 1 12.387 4.705 -2.526 1.00 0.00 H new ATOM 0 H3 MET A 1 12.271 4.815 -0.836 1.00 0.00 H new ATOM 0 HA MET A 1 10.363 5.198 -2.849 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.657 3.267 -0.584 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.441 4.066 -1.561 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.973 2.754 -3.498 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.490 2.203 -2.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.126 -0.948 -3.109 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.528 0.431 -4.159 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.821 -0.439 -3.300 1.00 0.00 H new ATOM 19 N ASP A 2 10.396 6.159 0.235 1.00 0.00 N ATOM 20 CA ASP A 2 10.203 7.396 1.085 1.00 0.00 C ATOM 21 C ASP A 2 10.866 8.757 0.631 1.00 0.00 C ATOM 22 O ASP A 2 10.287 9.828 0.895 1.00 0.00 O ATOM 23 CB ASP A 2 10.372 6.984 2.566 1.00 0.00 C ATOM 24 CG ASP A 2 9.587 7.819 3.571 1.00 0.00 C ATOM 25 OD1 ASP A 2 9.920 9.030 3.643 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.746 7.350 4.363 1.00 0.00 O ATOM 0 H ASP A 2 10.845 5.377 0.713 1.00 0.00 H new ATOM 0 HA ASP A 2 9.183 7.742 0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.071 5.942 2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.430 7.038 2.822 1.00 0.00 H new ATOM 31 N PRO A 3 12.058 8.889 -0.034 1.00 0.00 N ATOM 32 CA PRO A 3 12.681 10.229 -0.355 1.00 0.00 C ATOM 33 C PRO A 3 12.021 11.192 -1.428 1.00 0.00 C ATOM 34 O PRO A 3 12.359 12.381 -1.388 1.00 0.00 O ATOM 35 CB PRO A 3 14.134 9.833 -0.739 1.00 0.00 C ATOM 36 CG PRO A 3 13.975 8.448 -1.285 1.00 0.00 C ATOM 37 CD PRO A 3 12.959 7.759 -0.400 1.00 0.00 C ATOM 0 HA PRO A 3 12.551 10.878 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.555 10.513 -1.480 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.799 9.852 0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.635 8.474 -2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.925 7.914 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.428 6.967 -0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.421 7.304 0.476 1.00 0.00 H new ATOM 45 N VAL A 4 11.024 10.783 -2.191 1.00 0.00 N ATOM 46 CA VAL A 4 10.392 11.651 -3.222 1.00 0.00 C ATOM 47 C VAL A 4 9.430 12.745 -2.639 1.00 0.00 C ATOM 48 O VAL A 4 9.917 13.721 -2.027 1.00 0.00 O ATOM 49 CB VAL A 4 9.870 10.731 -4.413 1.00 0.00 C ATOM 50 CG1 VAL A 4 9.184 11.588 -5.550 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.951 9.850 -5.112 1.00 0.00 C ATOM 0 H VAL A 4 10.617 9.850 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 4 11.130 12.314 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 4 9.167 10.066 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.840 10.928 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.334 12.129 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.904 12.299 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.486 9.265 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.723 10.491 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.400 9.177 -4.381 1.00 0.00 H new ATOM 61 N ASP A 5 8.111 12.572 -2.653 1.00 0.00 N ATOM 62 CA ASP A 5 7.145 13.539 -2.027 1.00 0.00 C ATOM 63 C ASP A 5 5.867 13.024 -1.236 1.00 0.00 C ATOM 64 O ASP A 5 5.665 13.464 -0.092 1.00 0.00 O ATOM 65 CB ASP A 5 6.931 14.810 -2.873 1.00 0.00 C ATOM 66 CG ASP A 5 6.268 14.816 -4.207 1.00 0.00 C ATOM 67 OD1 ASP A 5 6.145 13.810 -4.922 1.00 0.00 O ATOM 68 OD2 ASP A 5 5.813 15.909 -4.547 1.00 0.00 O ATOM 0 H ASP A 5 7.659 11.769 -3.091 1.00 0.00 H new ATOM 0 HA ASP A 5 7.716 13.811 -1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.366 15.501 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.918 15.248 -3.021 1.00 0.00 H new ATOM 73 N PRO A 6 5.102 11.976 -1.642 1.00 0.00 N ATOM 74 CA PRO A 6 5.008 11.457 -3.044 1.00 0.00 C ATOM 75 C PRO A 6 3.616 11.780 -3.735 1.00 0.00 C ATOM 76 O PRO A 6 2.542 11.453 -3.211 1.00 0.00 O ATOM 77 CB PRO A 6 5.162 9.946 -2.772 1.00 0.00 C ATOM 78 CG PRO A 6 4.446 9.703 -1.446 1.00 0.00 C ATOM 79 CD PRO A 6 4.514 11.025 -0.682 1.00 0.00 C ATOM 0 HA PRO A 6 5.733 11.893 -3.731 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.719 9.355 -3.573 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.213 9.662 -2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.412 9.400 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.927 8.902 -0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.524 11.348 -0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.128 10.935 0.214 1.00 0.00 H new ATOM 87 N ASN A 7 3.669 12.316 -4.945 1.00 0.00 N ATOM 88 CA ASN A 7 2.473 12.381 -5.843 1.00 0.00 C ATOM 89 C ASN A 7 1.796 10.988 -6.144 1.00 0.00 C ATOM 90 O ASN A 7 0.896 10.601 -5.404 1.00 0.00 O ATOM 91 CB ASN A 7 2.914 13.167 -7.133 1.00 0.00 C ATOM 92 CG ASN A 7 3.064 14.705 -7.049 1.00 0.00 C ATOM 93 OD1 ASN A 7 2.113 15.467 -6.823 1.00 0.00 O ATOM 94 ND2 ASN A 7 4.268 15.213 -7.188 1.00 0.00 N ATOM 0 H ASN A 7 4.515 12.718 -5.348 1.00 0.00 H new ATOM 0 HA ASN A 7 1.667 12.910 -5.334 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.871 12.759 -7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.190 12.948 -7.918 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.409 16.220 -7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 7 5.062 14.600 -7.374 1.00 0.00 H new ATOM 101 N LEU A 8 2.141 10.250 -7.218 1.00 0.00 N ATOM 102 CA LEU A 8 1.682 8.859 -7.451 1.00 0.00 C ATOM 103 C LEU A 8 2.930 8.096 -8.045 1.00 0.00 C ATOM 104 O LEU A 8 3.421 8.417 -9.140 1.00 0.00 O ATOM 105 CB LEU A 8 0.438 8.765 -8.414 1.00 0.00 C ATOM 106 CG LEU A 8 -0.883 9.400 -7.861 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.929 9.519 -8.961 1.00 0.00 C ATOM 108 CD2 LEU A 8 -1.441 8.562 -6.739 1.00 0.00 C ATOM 0 H LEU A 8 2.751 10.602 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 8 1.333 8.415 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.690 9.253 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.251 7.715 -8.639 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.642 10.395 -7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.837 9.963 -8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.545 10.151 -9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.155 8.529 -9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.359 9.017 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.657 7.559 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.711 8.503 -5.931 1.00 0.00 H new ATOM 120 N GLU A 9 3.489 7.193 -7.237 1.00 0.00 N ATOM 121 CA GLU A 9 4.835 6.625 -7.517 1.00 0.00 C ATOM 122 C GLU A 9 4.832 5.157 -8.077 1.00 0.00 C ATOM 123 O GLU A 9 3.895 4.431 -7.683 1.00 0.00 O ATOM 124 CB GLU A 9 5.493 6.653 -6.112 1.00 0.00 C ATOM 125 CG GLU A 9 7.045 6.644 -6.001 1.00 0.00 C ATOM 126 CD GLU A 9 7.621 6.544 -4.606 1.00 0.00 C ATOM 127 OE1 GLU A 9 7.271 7.382 -3.770 1.00 0.00 O ATOM 128 OE2 GLU A 9 8.331 5.551 -4.290 1.00 0.00 O ATOM 0 H GLU A 9 3.047 6.835 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 9 5.346 7.190 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.132 7.544 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.119 5.792 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.424 5.807 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.425 7.555 -6.463 1.00 0.00 H new ATOM 135 N PRO A 10 5.798 4.596 -8.870 1.00 0.00 N ATOM 136 CA PRO A 10 5.808 3.159 -9.327 1.00 0.00 C ATOM 137 C PRO A 10 5.452 1.949 -8.400 1.00 0.00 C ATOM 138 O PRO A 10 4.850 0.962 -8.881 1.00 0.00 O ATOM 139 CB PRO A 10 7.224 3.084 -10.000 1.00 0.00 C ATOM 140 CG PRO A 10 7.517 4.499 -10.530 1.00 0.00 C ATOM 141 CD PRO A 10 6.850 5.415 -9.497 1.00 0.00 C ATOM 0 HA PRO A 10 4.926 2.985 -9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.982 2.772 -9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.233 2.354 -10.810 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.588 4.687 -10.600 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.101 4.648 -11.526 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.571 5.763 -8.757 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.428 6.301 -9.972 1.00 0.00 H new ATOM 149 N TRP A 11 5.846 2.002 -7.110 1.00 0.00 N ATOM 150 CA TRP A 11 5.034 1.421 -5.993 1.00 0.00 C ATOM 151 C TRP A 11 5.277 2.292 -4.685 1.00 0.00 C ATOM 152 O TRP A 11 6.326 2.243 -4.002 1.00 0.00 O ATOM 153 CB TRP A 11 5.421 -0.059 -5.718 1.00 0.00 C ATOM 154 CG TRP A 11 4.439 -0.824 -4.826 1.00 0.00 C ATOM 155 CD1 TRP A 11 3.202 -1.364 -5.237 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.410 -0.823 -3.447 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.395 -1.709 -4.136 1.00 0.00 N ATOM 158 CE2 TRP A 11 3.166 -1.363 -3.038 1.00 0.00 C ATOM 159 CE3 TRP A 11 5.353 -0.373 -2.487 1.00 0.00 C ATOM 160 CZ2 TRP A 11 2.859 -1.466 -1.663 1.00 0.00 C ATOM 161 CZ3 TRP A 11 5.030 -0.491 -1.135 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.803 -1.032 -0.728 1.00 0.00 C ATOM 0 H TRP A 11 6.717 2.437 -6.806 1.00 0.00 H new ATOM 0 HA TRP A 11 3.982 1.440 -6.276 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.506 -0.581 -6.671 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.406 -0.082 -5.253 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.910 -1.496 -6.268 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.461 -2.118 -4.145 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.297 0.050 -2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.912 -1.873 -1.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.738 -0.160 -0.389 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.583 -1.115 0.326 1.00 0.00 H new ATOM 173 N ASN A 12 4.220 2.960 -4.207 1.00 0.00 N ATOM 174 CA ASN A 12 4.121 3.553 -2.830 1.00 0.00 C ATOM 175 C ASN A 12 2.630 3.839 -2.351 1.00 0.00 C ATOM 176 O ASN A 12 2.090 4.907 -2.642 1.00 0.00 O ATOM 177 CB ASN A 12 5.042 4.817 -2.762 1.00 0.00 C ATOM 178 CG ASN A 12 5.595 5.152 -1.354 1.00 0.00 C ATOM 179 OD1 ASN A 12 5.407 4.488 -0.327 1.00 0.00 O ATOM 180 ND2 ASN A 12 6.298 6.269 -1.229 1.00 0.00 N ATOM 0 H ASN A 12 3.381 3.117 -4.765 1.00 0.00 H new ATOM 0 HA ASN A 12 4.474 2.811 -2.114 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.883 4.672 -3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.481 5.676 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.657 6.546 -0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.480 6.851 -2.047 1.00 0.00 H new ATOM 187 N HIS A 13 2.030 2.949 -1.537 1.00 0.00 N ATOM 188 CA HIS A 13 0.728 3.139 -0.894 1.00 0.00 C ATOM 189 C HIS A 13 0.798 3.266 0.701 1.00 0.00 C ATOM 190 O HIS A 13 0.997 2.224 1.318 1.00 0.00 O ATOM 191 CB HIS A 13 -0.219 1.955 -1.349 1.00 0.00 C ATOM 192 CG HIS A 13 -1.657 2.088 -0.938 1.00 0.00 C ATOM 193 ND1 HIS A 13 -2.550 1.037 -0.747 1.00 0.00 N ATOM 194 CD2 HIS A 13 -2.311 3.311 -0.978 1.00 0.00 C ATOM 195 CE1 HIS A 13 -3.705 1.727 -0.679 1.00 0.00 C ATOM 196 NE2 HIS A 13 -3.652 3.080 -0.810 1.00 0.00 N ATOM 0 H HIS A 13 2.457 2.052 -1.306 1.00 0.00 H new ATOM 0 HA HIS A 13 0.326 4.099 -1.218 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.175 1.874 -2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.173 1.022 -0.943 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.379 0.034 -0.678 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.846 4.276 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.646 1.220 -0.525 1.00 0.00 H new ATOM 205 N PRO A 14 0.608 4.446 1.384 1.00 0.00 N ATOM 206 CA PRO A 14 0.502 4.521 2.849 1.00 0.00 C ATOM 207 C PRO A 14 -0.645 3.857 3.644 1.00 0.00 C ATOM 208 O PRO A 14 -0.343 3.330 4.708 1.00 0.00 O ATOM 209 CB PRO A 14 0.484 6.078 3.014 1.00 0.00 C ATOM 210 CG PRO A 14 1.312 6.576 1.852 1.00 0.00 C ATOM 211 CD PRO A 14 0.729 5.738 0.708 1.00 0.00 C ATOM 0 HA PRO A 14 1.298 3.921 3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.532 6.472 2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.911 6.384 3.969 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.189 7.646 1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.377 6.396 1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.231 6.118 0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.390 5.696 -0.158 1.00 0.00 H new ATOM 219 N GLY A 15 -1.925 4.028 3.273 1.00 0.00 N ATOM 220 CA GLY A 15 -3.029 3.487 4.067 1.00 0.00 C ATOM 221 C GLY A 15 -4.278 3.091 3.296 1.00 0.00 C ATOM 222 O GLY A 15 -4.155 2.151 2.521 1.00 0.00 O ATOM 0 H GLY A 15 -2.214 4.533 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.667 2.611 4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.309 4.229 4.815 1.00 0.00 H new ATOM 226 N SER A 16 -5.419 3.735 3.579 1.00 0.00 N ATOM 227 CA SER A 16 -6.633 3.669 2.733 1.00 0.00 C ATOM 228 C SER A 16 -7.688 4.762 3.006 1.00 0.00 C ATOM 229 O SER A 16 -7.604 5.878 2.513 1.00 0.00 O ATOM 230 CB SER A 16 -7.220 2.264 2.377 1.00 0.00 C ATOM 231 OG SER A 16 -8.045 1.724 3.446 1.00 0.00 O ATOM 0 H SER A 16 -5.533 4.322 4.405 1.00 0.00 H new ATOM 0 HA SER A 16 -6.192 3.938 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.814 2.341 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.403 1.574 2.167 1.00 0.00 H new ATOM 0 HG SER A 16 -7.506 1.629 4.259 1.00 0.00 H new ATOM 237 N GLN A 17 -8.769 4.411 3.723 1.00 0.00 N ATOM 238 CA GLN A 17 -10.031 5.207 3.743 1.00 0.00 C ATOM 239 C GLN A 17 -10.485 5.708 5.164 1.00 0.00 C ATOM 240 O GLN A 17 -10.133 5.079 6.167 1.00 0.00 O ATOM 241 CB GLN A 17 -11.101 4.311 3.088 1.00 0.00 C ATOM 242 CG GLN A 17 -11.072 4.173 1.541 1.00 0.00 C ATOM 243 CD GLN A 17 -11.486 5.406 0.733 1.00 0.00 C ATOM 244 OE1 GLN A 17 -12.430 6.133 1.029 1.00 0.00 O ATOM 245 NE2 GLN A 17 -10.868 5.686 -0.328 1.00 0.00 N ATOM 0 H GLN A 17 -8.804 3.574 4.305 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.871 6.138 3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.012 3.313 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.081 4.694 3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.061 3.895 1.243 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.726 3.347 1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.075 5.115 -0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.160 6.483 -0.893 1.00 0.00 H new ATOM 254 N PRO A 18 -11.270 6.805 5.328 1.00 0.00 N ATOM 255 CA PRO A 18 -12.001 7.539 4.236 1.00 0.00 C ATOM 256 C PRO A 18 -11.181 8.573 3.462 1.00 0.00 C ATOM 257 O PRO A 18 -10.719 9.536 4.075 1.00 0.00 O ATOM 258 CB PRO A 18 -13.152 8.192 5.032 1.00 0.00 C ATOM 259 CG PRO A 18 -12.587 8.456 6.415 1.00 0.00 C ATOM 260 CD PRO A 18 -11.535 7.386 6.680 1.00 0.00 C ATOM 0 HA PRO A 18 -12.304 6.870 3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.481 9.117 4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.019 7.533 5.081 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.146 9.451 6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.375 8.416 7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.632 7.812 7.116 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.899 6.630 7.376 1.00 0.00 H new ATOM 268 N ARG A 19 -10.962 8.342 2.149 1.00 0.00 N ATOM 269 CA ARG A 19 -10.159 9.235 1.198 1.00 0.00 C ATOM 270 C ARG A 19 -9.013 10.111 1.827 1.00 0.00 C ATOM 271 O ARG A 19 -8.889 11.305 1.644 1.00 0.00 O ATOM 272 CB ARG A 19 -11.239 10.048 0.395 1.00 0.00 C ATOM 273 CG ARG A 19 -10.852 10.278 -1.096 1.00 0.00 C ATOM 274 CD ARG A 19 -12.091 10.627 -1.961 1.00 0.00 C ATOM 275 NE ARG A 19 -11.871 10.106 -3.356 1.00 0.00 N ATOM 276 CZ ARG A 19 -12.645 10.250 -4.387 1.00 0.00 C ATOM 277 NH1 ARG A 19 -13.805 10.857 -4.321 1.00 0.00 N ATOM 278 NH2 ARG A 19 -12.236 9.757 -5.525 1.00 0.00 N ATOM 0 H ARG A 19 -11.336 7.516 1.681 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.545 8.611 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.190 9.518 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.390 11.014 0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.122 11.085 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.373 9.382 -1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.989 10.184 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.246 11.706 -1.981 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.012 9.577 -3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.131 11.239 -3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.382 10.948 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.337 9.279 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.816 9.850 -6.359 1.00 0.00 H new ATOM 292 N THR A 20 -8.067 9.451 2.571 1.00 0.00 N ATOM 293 CA THR A 20 -7.251 10.150 3.629 1.00 0.00 C ATOM 294 C THR A 20 -5.854 10.705 3.109 1.00 0.00 C ATOM 295 O THR A 20 -5.603 11.918 3.303 1.00 0.00 O ATOM 296 CB THR A 20 -7.243 9.342 4.958 1.00 0.00 C ATOM 297 OG1 THR A 20 -8.572 8.984 5.389 1.00 0.00 O ATOM 298 CG2 THR A 20 -6.504 10.048 6.140 1.00 0.00 C ATOM 0 H THR A 20 -7.852 8.460 2.464 1.00 0.00 H new ATOM 0 HA THR A 20 -7.754 11.082 3.885 1.00 0.00 H new ATOM 0 HB THR A 20 -6.679 8.443 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.232 9.481 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.547 9.415 7.026 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.463 10.220 5.867 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.986 11.002 6.352 1.00 0.00 H new ATOM 306 N PRO A 21 -4.887 9.932 2.487 1.00 0.00 N ATOM 307 CA PRO A 21 -4.876 8.431 2.439 1.00 0.00 C ATOM 308 C PRO A 21 -4.416 7.650 3.724 1.00 0.00 C ATOM 309 O PRO A 21 -4.809 6.527 3.988 1.00 0.00 O ATOM 310 CB PRO A 21 -3.808 8.229 1.327 1.00 0.00 C ATOM 311 CG PRO A 21 -2.860 9.441 1.337 1.00 0.00 C ATOM 312 CD PRO A 21 -3.843 10.549 1.649 1.00 0.00 C ATOM 0 HA PRO A 21 -5.885 8.044 2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.249 7.309 1.501 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.288 8.131 0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.080 9.352 2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.360 9.586 0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.354 11.370 2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.269 10.964 0.735 1.00 0.00 H new ATOM 320 N CYS A 22 -3.503 8.242 4.517 1.00 0.00 N ATOM 321 CA CYS A 22 -2.560 7.526 5.417 1.00 0.00 C ATOM 322 C CYS A 22 -3.160 6.929 6.749 1.00 0.00 C ATOM 323 O CYS A 22 -2.664 5.859 7.163 1.00 0.00 O ATOM 324 CB CYS A 22 -1.440 8.573 5.644 1.00 0.00 C ATOM 325 SG CYS A 22 -0.139 7.818 6.682 1.00 0.00 S ATOM 0 H CYS A 22 -3.393 9.255 4.555 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.213 6.600 4.959 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.023 8.895 4.689 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.845 9.461 6.130 1.00 0.00 H new ATOM 0 HG CYS A 22 1.006 8.373 6.415 1.00 0.00 H new ATOM 331 N ASN A 23 -4.166 7.560 7.420 1.00 0.00 N ATOM 332 CA ASN A 23 -4.707 6.987 8.695 1.00 0.00 C ATOM 333 C ASN A 23 -3.725 7.049 9.895 1.00 0.00 C ATOM 334 O ASN A 23 -2.656 7.685 9.783 1.00 0.00 O ATOM 335 CB ASN A 23 -5.438 5.624 8.410 1.00 0.00 C ATOM 336 CG ASN A 23 -6.728 5.614 7.631 1.00 0.00 C ATOM 337 OD1 ASN A 23 -7.808 5.580 8.204 1.00 0.00 O ATOM 338 ND2 ASN A 23 -6.712 5.639 6.351 1.00 0.00 N ATOM 0 H ASN A 23 -4.606 8.430 7.118 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.489 7.644 9.077 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.734 4.982 7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.636 5.154 9.373 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.589 5.630 5.830 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.823 5.668 5.853 1.00 0.00 H new ATOM 345 N LYS A 24 -4.032 6.425 11.023 1.00 0.00 N ATOM 346 CA LYS A 24 -3.018 6.041 12.071 1.00 0.00 C ATOM 347 C LYS A 24 -2.748 4.496 12.105 1.00 0.00 C ATOM 348 O LYS A 24 -2.721 3.898 13.174 1.00 0.00 O ATOM 349 CB LYS A 24 -3.506 6.759 13.363 1.00 0.00 C ATOM 350 CG LYS A 24 -2.546 6.745 14.584 1.00 0.00 C ATOM 351 CD LYS A 24 -3.154 7.506 15.794 1.00 0.00 C ATOM 352 CE LYS A 24 -2.113 7.733 16.896 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.751 8.484 18.028 1.00 0.00 N ATOM 0 H LYS A 24 -4.986 6.157 11.265 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.000 6.377 11.875 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.720 7.798 13.113 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.448 6.304 13.668 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.334 5.715 14.870 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.596 7.201 14.306 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.548 8.466 15.461 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.994 6.940 16.197 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.726 6.778 17.250 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.266 8.295 16.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.049 8.641 18.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.100 9.401 17.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.546 7.931 18.407 1.00 0.00 H new ATOM 367 N CYS A 25 -2.647 3.871 10.905 1.00 0.00 N ATOM 368 CA CYS A 25 -2.513 2.382 10.700 1.00 0.00 C ATOM 369 C CYS A 25 -2.322 2.108 9.207 1.00 0.00 C ATOM 370 O CYS A 25 -3.011 2.687 8.348 1.00 0.00 O ATOM 371 CB CYS A 25 -3.728 1.635 11.318 1.00 0.00 C ATOM 372 SG CYS A 25 -3.645 -0.150 10.968 1.00 0.00 S ATOM 0 H CYS A 25 -2.655 4.388 10.026 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.636 1.997 11.220 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.749 1.797 12.396 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.654 2.045 10.916 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.467 -0.334 9.694 1.00 0.00 H new ATOM 378 N TYR A 26 -1.475 1.123 8.857 1.00 0.00 N ATOM 379 CA TYR A 26 -1.344 0.637 7.461 1.00 0.00 C ATOM 380 C TYR A 26 -2.608 -0.197 6.986 1.00 0.00 C ATOM 381 O TYR A 26 -3.184 -0.975 7.752 1.00 0.00 O ATOM 382 CB TYR A 26 -0.085 -0.265 7.298 1.00 0.00 C ATOM 383 CG TYR A 26 1.272 0.447 7.266 1.00 0.00 C ATOM 384 CD1 TYR A 26 1.785 0.951 6.067 1.00 0.00 C ATOM 385 CD2 TYR A 26 2.073 0.445 8.412 1.00 0.00 C ATOM 386 CE1 TYR A 26 3.083 1.454 6.019 1.00 0.00 C ATOM 387 CE2 TYR A 26 3.370 0.947 8.362 1.00 0.00 C ATOM 388 CZ TYR A 26 3.874 1.451 7.165 1.00 0.00 C ATOM 389 OH TYR A 26 5.146 1.947 7.115 1.00 0.00 O ATOM 0 H TYR A 26 -0.867 0.643 9.521 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.256 1.531 6.844 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.073 -0.984 8.117 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.192 -0.835 6.375 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.174 0.950 5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.684 0.052 9.340 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.476 1.846 5.093 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.985 0.946 9.250 1.00 0.00 H new ATOM 0 HH TYR A 26 5.253 2.492 6.307 1.00 0.00 H new ATOM 399 N CYS A 27 -2.937 0.025 5.735 1.00 0.00 N ATOM 400 CA CYS A 27 -4.107 -0.553 5.008 1.00 0.00 C ATOM 401 C CYS A 27 -5.520 -0.088 5.529 1.00 0.00 C ATOM 402 O CYS A 27 -6.136 0.753 4.859 1.00 0.00 O ATOM 403 CB CYS A 27 -3.897 -2.045 4.647 1.00 0.00 C ATOM 404 SG CYS A 27 -5.147 -2.712 3.528 1.00 0.00 S ATOM 0 H CYS A 27 -2.384 0.643 5.141 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.144 -0.081 4.026 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.915 -2.163 4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.894 -2.633 5.565 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.885 -3.572 4.165 1.00 0.00 H new ATOM 410 N LYS A 28 -5.992 -0.566 6.718 1.00 0.00 N ATOM 411 CA LYS A 28 -7.167 -0.018 7.430 1.00 0.00 C ATOM 412 C LYS A 28 -8.515 0.155 6.617 1.00 0.00 C ATOM 413 O LYS A 28 -8.747 1.245 6.124 1.00 0.00 O ATOM 414 CB LYS A 28 -6.705 1.276 8.221 1.00 0.00 C ATOM 415 CG LYS A 28 -7.226 1.483 9.667 1.00 0.00 C ATOM 416 CD LYS A 28 -8.758 1.648 9.917 1.00 0.00 C ATOM 417 CE LYS A 28 -9.359 3.069 9.608 1.00 0.00 C ATOM 418 NZ LYS A 28 -9.626 3.130 8.137 1.00 0.00 N ATOM 0 H LYS A 28 -5.558 -1.349 7.206 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.495 -0.793 8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.616 1.271 8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.000 2.146 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.888 0.633 10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.733 2.368 10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.286 0.912 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.964 1.408 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.278 3.228 10.172 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.663 3.853 9.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.479 4.102 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.977 2.487 7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.608 2.843 7.950 1.00 0.00 H new ATOM 432 N LYS A 29 -9.429 -0.843 6.558 1.00 0.00 N ATOM 433 CA LYS A 29 -10.817 -0.652 6.069 1.00 0.00 C ATOM 434 C LYS A 29 -11.669 0.506 6.764 1.00 0.00 C ATOM 435 O LYS A 29 -11.468 0.735 7.964 1.00 0.00 O ATOM 436 CB LYS A 29 -11.479 -2.074 6.161 1.00 0.00 C ATOM 437 CG LYS A 29 -12.926 -2.284 5.660 1.00 0.00 C ATOM 438 CD LYS A 29 -14.064 -2.034 6.666 1.00 0.00 C ATOM 439 CE LYS A 29 -15.468 -2.198 6.069 1.00 0.00 C ATOM 440 NZ LYS A 29 -16.475 -1.841 7.085 1.00 0.00 N ATOM 0 H LYS A 29 -9.227 -1.800 6.847 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.793 -0.270 5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.841 -2.765 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.450 -2.378 7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.084 -1.630 4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.013 -3.309 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.953 -2.723 7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.966 -1.025 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.579 -1.561 5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.617 -3.226 5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.417 -2.141 6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.249 -2.319 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.471 -0.811 7.231 1.00 0.00 H new ATOM 454 N CYS A 30 -12.547 1.263 6.058 1.00 0.00 N ATOM 455 CA CYS A 30 -13.628 2.057 6.702 1.00 0.00 C ATOM 456 C CYS A 30 -15.051 1.682 6.104 1.00 0.00 C ATOM 457 O CYS A 30 -15.803 1.045 6.847 1.00 0.00 O ATOM 458 CB CYS A 30 -13.262 3.532 6.777 1.00 0.00 C ATOM 459 SG CYS A 30 -14.670 4.448 7.540 1.00 0.00 S ATOM 0 H CYS A 30 -12.528 1.341 5.041 1.00 0.00 H new ATOM 0 HA CYS A 30 -13.726 1.781 7.752 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.357 3.668 7.369 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.053 3.921 5.781 1.00 0.00 H new ATOM 0 HG CYS A 30 -14.376 5.712 7.615 1.00 0.00 H new ATOM 465 N CYS A 31 -15.538 1.908 4.897 1.00 0.00 N ATOM 466 CA CYS A 31 -14.793 2.547 3.793 1.00 0.00 C ATOM 467 C CYS A 31 -14.061 1.461 2.874 1.00 0.00 C ATOM 468 O CYS A 31 -13.670 0.396 3.359 1.00 0.00 O ATOM 469 CB CYS A 31 -15.843 3.462 3.131 1.00 0.00 C ATOM 470 SG CYS A 31 -17.219 2.363 2.593 1.00 0.00 S ATOM 0 H CYS A 31 -16.490 1.650 4.636 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.939 3.155 4.094 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.199 4.216 3.833 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.415 3.994 2.281 1.00 0.00 H new ATOM 0 HG CYS A 31 -18.146 3.075 2.025 1.00 0.00 H new ATOM 476 N TYR A 32 -13.714 1.781 1.619 1.00 0.00 N ATOM 477 CA TYR A 32 -13.123 0.793 0.649 1.00 0.00 C ATOM 478 C TYR A 32 -11.655 0.386 0.944 1.00 0.00 C ATOM 479 O TYR A 32 -10.704 1.144 0.833 1.00 0.00 O ATOM 480 CB TYR A 32 -13.194 1.304 -0.820 1.00 0.00 C ATOM 481 CG TYR A 32 -12.726 0.334 -1.910 1.00 0.00 C ATOM 482 CD1 TYR A 32 -13.615 -0.625 -2.407 1.00 0.00 C ATOM 483 CD2 TYR A 32 -11.464 0.473 -2.495 1.00 0.00 C ATOM 484 CE1 TYR A 32 -13.244 -1.438 -3.473 1.00 0.00 C ATOM 485 CE2 TYR A 32 -11.095 -0.343 -3.562 1.00 0.00 C ATOM 486 CZ TYR A 32 -11.984 -1.296 -4.050 1.00 0.00 C ATOM 487 OH TYR A 32 -11.617 -2.097 -5.095 1.00 0.00 O ATOM 0 H TYR A 32 -13.826 2.718 1.232 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.745 -0.092 0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -14.226 1.583 -1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -12.596 2.212 -0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -14.593 -0.735 -1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.774 1.214 -2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.932 -2.179 -3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.118 -0.236 -4.011 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.532 -1.556 -5.908 1.00 0.00 H new ATOM 497 N HIS A 33 -11.426 -0.899 1.135 1.00 0.00 N ATOM 498 CA HIS A 33 -10.406 -1.708 0.388 1.00 0.00 C ATOM 499 C HIS A 33 -10.980 -3.110 0.096 1.00 0.00 C ATOM 500 O HIS A 33 -11.417 -3.749 1.038 1.00 0.00 O ATOM 501 CB HIS A 33 -9.071 -1.823 1.143 1.00 0.00 C ATOM 502 CG HIS A 33 -8.005 -2.482 0.319 1.00 0.00 C ATOM 503 ND1 HIS A 33 -7.743 -3.849 0.267 1.00 0.00 N ATOM 504 CD2 HIS A 33 -7.543 -1.833 -0.818 1.00 0.00 C ATOM 505 CE1 HIS A 33 -7.134 -3.921 -0.931 1.00 0.00 C ATOM 506 NE2 HIS A 33 -6.971 -2.771 -1.639 1.00 0.00 N ATOM 0 H HIS A 33 -11.941 -1.448 1.823 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.191 -1.189 -0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.736 -0.828 1.438 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.223 -2.393 2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.620 -0.775 -1.021 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.784 -4.866 -1.320 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.533 -2.639 -2.551 1.00 0.00 H new ATOM 515 N CYS A 34 -11.002 -3.612 -1.108 1.00 0.00 N ATOM 516 CA CYS A 34 -11.320 -5.045 -1.396 1.00 0.00 C ATOM 517 C CYS A 34 -10.124 -6.025 -1.207 1.00 0.00 C ATOM 518 O CYS A 34 -9.114 -5.919 -1.875 1.00 0.00 O ATOM 519 CB CYS A 34 -11.917 -5.092 -2.792 1.00 0.00 C ATOM 520 SG CYS A 34 -12.555 -6.756 -3.212 1.00 0.00 S ATOM 0 H CYS A 34 -10.803 -3.062 -1.944 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.036 -5.408 -0.659 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.726 -4.365 -2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.160 -4.800 -3.520 1.00 0.00 H new ATOM 0 HG CYS A 34 -13.055 -6.739 -4.412 1.00 0.00 H new ATOM 526 N GLN A 35 -10.299 -7.021 -0.335 1.00 0.00 N ATOM 527 CA GLN A 35 -9.497 -8.277 -0.172 1.00 0.00 C ATOM 528 C GLN A 35 -7.959 -8.100 0.094 1.00 0.00 C ATOM 529 O GLN A 35 -7.543 -8.012 1.238 1.00 0.00 O ATOM 530 CB GLN A 35 -9.907 -9.340 -1.208 1.00 0.00 C ATOM 531 CG GLN A 35 -9.544 -10.807 -0.825 1.00 0.00 C ATOM 532 CD GLN A 35 -10.421 -11.356 0.296 1.00 0.00 C ATOM 533 OE1 GLN A 35 -10.013 -11.340 1.447 1.00 0.00 O ATOM 534 NE2 GLN A 35 -11.618 -11.837 0.069 1.00 0.00 N ATOM 0 H GLN A 35 -11.063 -6.985 0.339 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.779 -8.689 0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.984 -9.277 -1.364 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.432 -9.101 -2.159 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.644 -11.443 -1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.499 -10.850 -0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.985 -11.863 -0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.183 -12.185 0.843 1.00 0.00 H new ATOM 543 N MET A 36 -7.031 -8.050 -0.897 1.00 0.00 N ATOM 544 CA MET A 36 -5.550 -8.108 -0.673 1.00 0.00 C ATOM 545 C MET A 36 -4.920 -7.061 0.299 1.00 0.00 C ATOM 546 O MET A 36 -4.747 -5.882 -0.061 1.00 0.00 O ATOM 547 CB MET A 36 -5.061 -9.587 -0.555 1.00 0.00 C ATOM 548 CG MET A 36 -5.215 -10.446 -1.830 1.00 0.00 C ATOM 549 SD MET A 36 -4.643 -12.062 -1.440 1.00 0.00 S ATOM 550 CE MET A 36 -4.879 -12.808 -3.023 1.00 0.00 C ATOM 0 H MET A 36 -7.284 -7.968 -1.882 1.00 0.00 H new ATOM 0 HA MET A 36 -5.099 -7.714 -1.584 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.010 -9.581 -0.268 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.610 -10.069 0.254 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.256 -10.474 -2.152 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.638 -10.022 -2.652 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.569 -13.852 -2.983 1.00 0.00 H new ATOM 0 HE2 MET A 36 -5.932 -12.752 -3.298 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.281 -12.281 -3.766 1.00 0.00 H new ATOM 560 N CYS A 37 -4.578 -7.349 1.559 1.00 0.00 N ATOM 561 CA CYS A 37 -4.158 -6.316 2.533 1.00 0.00 C ATOM 562 C CYS A 37 -2.748 -5.697 2.251 1.00 0.00 C ATOM 563 O CYS A 37 -2.753 -4.535 1.809 1.00 0.00 O ATOM 564 CB CYS A 37 -4.354 -6.881 3.948 1.00 0.00 C ATOM 565 SG CYS A 37 -3.896 -5.617 5.204 1.00 0.00 S ATOM 0 H CYS A 37 -4.582 -8.296 1.938 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.798 -5.440 2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.392 -7.183 4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.742 -7.774 4.079 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.266 -4.441 4.791 1.00 0.00 H new ATOM 571 N PHE A 38 -1.606 -6.400 2.436 1.00 0.00 N ATOM 572 CA PHE A 38 -0.292 -5.882 1.942 1.00 0.00 C ATOM 573 C PHE A 38 0.722 -7.058 1.848 1.00 0.00 C ATOM 574 O PHE A 38 1.435 -7.326 2.802 1.00 0.00 O ATOM 575 CB PHE A 38 0.329 -4.750 2.815 1.00 0.00 C ATOM 576 CG PHE A 38 -0.043 -3.310 2.433 1.00 0.00 C ATOM 577 CD1 PHE A 38 -0.051 -2.905 1.096 1.00 0.00 C ATOM 578 CD2 PHE A 38 -0.309 -2.373 3.438 1.00 0.00 C ATOM 579 CE1 PHE A 38 -0.331 -1.580 0.768 1.00 0.00 C ATOM 580 CE2 PHE A 38 -0.598 -1.053 3.110 1.00 0.00 C ATOM 581 CZ PHE A 38 -0.607 -0.656 1.775 1.00 0.00 C ATOM 0 H PHE A 38 -1.558 -7.303 2.909 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.494 -5.440 0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.032 -4.916 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.414 -4.844 2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.160 -3.620 0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.290 -2.677 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.334 -1.269 -0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.815 -0.337 3.889 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.828 0.370 1.519 1.00 0.00 H new ATOM 591 N ILE A 39 0.791 -7.760 0.730 1.00 0.00 N ATOM 592 CA ILE A 39 1.810 -8.819 0.469 1.00 0.00 C ATOM 593 C ILE A 39 3.150 -8.179 -0.137 1.00 0.00 C ATOM 594 O ILE A 39 3.090 -7.538 -1.197 1.00 0.00 O ATOM 595 CB ILE A 39 1.241 -10.063 -0.329 1.00 0.00 C ATOM 596 CG1 ILE A 39 0.165 -9.820 -1.443 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.692 -11.146 0.645 1.00 0.00 C ATOM 598 CD1 ILE A 39 0.670 -8.993 -2.623 1.00 0.00 C ATOM 0 H ILE A 39 0.142 -7.626 -0.046 1.00 0.00 H new ATOM 0 HA ILE A 39 2.090 -9.257 1.427 1.00 0.00 H new ATOM 0 HB ILE A 39 2.128 -10.382 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.186 -10.784 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.694 -9.316 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.307 -11.989 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.494 -11.488 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.111 -10.720 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.132 -8.869 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.994 -8.014 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.510 -9.505 -3.093 1.00 0.00 H new ATOM 610 N THR A 40 4.314 -8.339 0.522 1.00 0.00 N ATOM 611 CA THR A 40 5.444 -7.401 0.266 1.00 0.00 C ATOM 612 C THR A 40 6.419 -7.847 -0.895 1.00 0.00 C ATOM 613 O THR A 40 7.580 -8.239 -0.687 1.00 0.00 O ATOM 614 CB THR A 40 6.256 -7.177 1.601 1.00 0.00 C ATOM 615 OG1 THR A 40 6.885 -8.382 2.033 1.00 0.00 O ATOM 616 CG2 THR A 40 5.509 -6.740 2.903 1.00 0.00 C ATOM 0 H THR A 40 4.502 -9.071 1.207 1.00 0.00 H new ATOM 0 HA THR A 40 4.992 -6.470 -0.076 1.00 0.00 H new ATOM 0 HB THR A 40 6.894 -6.359 1.266 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.460 -8.725 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.227 -6.635 3.717 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.011 -5.786 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.768 -7.494 3.168 1.00 0.00 H new ATOM 624 N LYS A 41 5.978 -7.712 -2.163 1.00 0.00 N ATOM 625 CA LYS A 41 6.758 -8.019 -3.409 1.00 0.00 C ATOM 626 C LYS A 41 7.582 -6.767 -3.903 1.00 0.00 C ATOM 627 O LYS A 41 7.170 -6.102 -4.844 1.00 0.00 O ATOM 628 CB LYS A 41 5.770 -8.618 -4.466 1.00 0.00 C ATOM 629 CG LYS A 41 4.271 -8.261 -4.538 1.00 0.00 C ATOM 630 CD LYS A 41 3.914 -6.836 -4.953 1.00 0.00 C ATOM 631 CE LYS A 41 2.432 -6.510 -4.824 1.00 0.00 C ATOM 632 NZ LYS A 41 2.139 -5.230 -5.511 1.00 0.00 N ATOM 0 H LYS A 41 5.038 -7.375 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 41 7.524 -8.770 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.188 -8.380 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.821 -9.701 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.793 -8.947 -5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.831 -8.448 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.485 -6.136 -4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.222 -6.681 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.835 -7.312 -5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.156 -6.440 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.133 -4.994 -5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.723 -4.474 -5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.355 -5.322 -6.524 1.00 0.00 H new ATOM 646 N GLY A 42 8.748 -6.554 -3.292 1.00 0.00 N ATOM 647 CA GLY A 42 9.730 -5.506 -3.724 1.00 0.00 C ATOM 648 C GLY A 42 10.161 -4.551 -2.640 1.00 0.00 C ATOM 649 O GLY A 42 9.372 -3.746 -2.117 1.00 0.00 O ATOM 0 H GLY A 42 9.057 -7.092 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.615 -6.001 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.290 -4.932 -4.540 1.00 0.00 H new ATOM 653 N LEU A 43 11.406 -4.625 -2.181 1.00 0.00 N ATOM 654 CA LEU A 43 11.828 -4.006 -0.893 1.00 0.00 C ATOM 655 C LEU A 43 12.531 -2.601 -0.989 1.00 0.00 C ATOM 656 O LEU A 43 13.754 -2.473 -0.761 1.00 0.00 O ATOM 657 CB LEU A 43 12.653 -5.055 -0.116 1.00 0.00 C ATOM 658 CG LEU A 43 11.979 -6.438 0.175 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.988 -7.338 0.913 1.00 0.00 C ATOM 660 CD2 LEU A 43 10.721 -6.256 1.066 1.00 0.00 C ATOM 0 H LEU A 43 12.158 -5.107 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 43 10.923 -3.744 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.571 -5.240 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.942 -4.615 0.838 1.00 0.00 H new ATOM 0 HG LEU A 43 11.679 -6.891 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.529 -8.305 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.871 -7.482 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.279 -6.865 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.267 -7.228 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.009 -5.798 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.003 -5.614 0.555 1.00 0.00 H new ATOM 672 N GLY A 44 11.773 -1.518 -1.355 1.00 0.00 N ATOM 673 CA GLY A 44 12.297 -0.173 -1.645 1.00 0.00 C ATOM 674 C GLY A 44 12.546 0.641 -0.308 1.00 0.00 C ATOM 675 O GLY A 44 13.617 0.541 0.214 1.00 0.00 O ATOM 0 H GLY A 44 10.759 -1.575 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.229 -0.255 -2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.592 0.367 -2.278 1.00 0.00 H new ATOM 679 N ILE A 45 11.543 1.329 0.250 1.00 0.00 N ATOM 680 CA ILE A 45 11.461 1.568 1.726 1.00 0.00 C ATOM 681 C ILE A 45 10.059 1.142 2.265 1.00 0.00 C ATOM 682 O ILE A 45 10.072 0.232 3.094 1.00 0.00 O ATOM 683 CB ILE A 45 11.901 3.007 2.194 1.00 0.00 C ATOM 684 CG1 ILE A 45 13.298 3.469 1.675 1.00 0.00 C ATOM 685 CG2 ILE A 45 11.823 3.192 3.739 1.00 0.00 C ATOM 686 CD1 ILE A 45 13.611 4.954 1.863 1.00 0.00 C ATOM 0 H ILE A 45 10.773 1.735 -0.281 1.00 0.00 H new ATOM 0 HA ILE A 45 12.214 0.927 2.184 1.00 0.00 H new ATOM 0 HB ILE A 45 11.163 3.656 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.066 2.886 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.369 3.232 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.138 4.202 4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.798 3.033 4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.479 2.470 4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.604 5.169 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 45 12.872 5.552 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.580 5.201 2.924 1.00 0.00 H new ATOM 698 N SER A 46 8.866 1.680 1.909 1.00 0.00 N ATOM 699 CA SER A 46 7.568 1.220 2.526 1.00 0.00 C ATOM 700 C SER A 46 7.209 -0.297 2.637 1.00 0.00 C ATOM 701 O SER A 46 6.952 -0.780 3.752 1.00 0.00 O ATOM 702 CB SER A 46 6.440 2.113 1.910 1.00 0.00 C ATOM 703 OG SER A 46 6.482 2.075 0.482 1.00 0.00 O ATOM 0 H SER A 46 8.761 2.419 1.213 1.00 0.00 H new ATOM 0 HA SER A 46 7.700 1.360 3.599 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.467 1.768 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.556 3.141 2.254 1.00 0.00 H new ATOM 0 HG SER A 46 6.039 2.871 0.120 1.00 0.00 H new ATOM 709 N TYR A 47 7.288 -1.063 1.534 1.00 0.00 N ATOM 710 CA TYR A 47 7.446 -2.537 1.603 1.00 0.00 C ATOM 711 C TYR A 47 8.854 -2.930 2.191 1.00 0.00 C ATOM 712 O TYR A 47 9.857 -2.594 1.567 1.00 0.00 O ATOM 713 CB TYR A 47 7.290 -3.237 0.222 1.00 0.00 C ATOM 714 CG TYR A 47 5.867 -3.622 -0.197 1.00 0.00 C ATOM 715 CD1 TYR A 47 4.845 -3.721 0.752 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.598 -3.933 -1.534 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.568 -4.120 0.365 1.00 0.00 C ATOM 718 CE2 TYR A 47 4.322 -4.333 -1.918 1.00 0.00 C ATOM 719 CZ TYR A 47 3.308 -4.426 -0.968 1.00 0.00 C ATOM 720 OH TYR A 47 2.053 -4.814 -1.344 1.00 0.00 O ATOM 0 H TYR A 47 7.246 -0.692 0.585 1.00 0.00 H new ATOM 0 HA TYR A 47 6.645 -2.880 2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.703 -2.579 -0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.899 -4.141 0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.046 -3.488 1.787 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.384 -3.862 -2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.779 -4.192 1.099 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.118 -4.571 -2.952 1.00 0.00 H new ATOM 0 HH TYR A 47 2.018 -5.791 -1.407 1.00 0.00 H new ATOM 730 N GLY A 48 8.936 -3.594 3.370 1.00 0.00 N ATOM 731 CA GLY A 48 10.233 -3.681 4.085 1.00 0.00 C ATOM 732 C GLY A 48 10.281 -4.575 5.352 1.00 0.00 C ATOM 733 O GLY A 48 9.685 -4.259 6.376 1.00 0.00 O ATOM 0 H GLY A 48 8.154 -4.060 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.982 -4.047 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.530 -2.672 4.371 1.00 0.00 H new ATOM 737 N ARG A 49 11.139 -5.637 5.322 1.00 0.00 N ATOM 738 CA ARG A 49 11.577 -6.425 6.492 1.00 0.00 C ATOM 739 C ARG A 49 12.393 -5.521 7.509 1.00 0.00 C ATOM 740 O ARG A 49 11.835 -5.301 8.586 1.00 0.00 O ATOM 741 CB ARG A 49 12.230 -7.774 6.036 1.00 0.00 C ATOM 742 CG ARG A 49 12.354 -8.864 7.149 1.00 0.00 C ATOM 743 CD ARG A 49 13.216 -10.066 6.665 1.00 0.00 C ATOM 744 NE ARG A 49 13.274 -11.180 7.685 1.00 0.00 N ATOM 745 CZ ARG A 49 13.703 -12.421 7.430 1.00 0.00 C ATOM 746 NH1 ARG A 49 14.139 -12.808 6.242 1.00 0.00 N ATOM 747 NH2 ARG A 49 13.687 -13.279 8.380 1.00 0.00 N ATOM 0 H ARG A 49 11.552 -5.970 4.451 1.00 0.00 H new ATOM 0 HA ARG A 49 10.724 -6.751 7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.644 -8.183 5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.225 -7.563 5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.803 -8.427 8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.361 -9.215 7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.805 -10.452 5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.227 -9.721 6.449 1.00 0.00 H new ATOM 0 HE ARG A 49 12.964 -10.971 8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.159 -12.147 5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.455 -13.768 6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.352 -13.009 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.009 -14.232 8.212 1.00 0.00 H new ATOM 761 N LYS A 50 13.640 -5.069 7.231 1.00 0.00 N ATOM 762 CA LYS A 50 14.334 -4.007 8.047 1.00 0.00 C ATOM 763 C LYS A 50 14.333 -2.638 7.214 1.00 0.00 C ATOM 764 O LYS A 50 15.393 -2.095 6.908 1.00 0.00 O ATOM 765 CB LYS A 50 15.775 -4.459 8.530 1.00 0.00 C ATOM 766 CG LYS A 50 16.388 -3.630 9.726 1.00 0.00 C ATOM 767 CD LYS A 50 17.921 -3.842 9.905 1.00 0.00 C ATOM 768 CE LYS A 50 18.556 -3.064 11.073 1.00 0.00 C ATOM 769 NZ LYS A 50 19.993 -3.359 11.253 1.00 0.00 N ATOM 0 H LYS A 50 14.198 -5.415 6.450 1.00 0.00 H new ATOM 0 HA LYS A 50 13.785 -3.842 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.727 -5.507 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.458 -4.398 7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.192 -2.570 9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.880 -3.909 10.649 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.110 -4.905 10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.422 -3.553 8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.429 -1.995 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.024 -3.304 11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.363 -2.807 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.118 -4.373 11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.511 -3.105 10.387 1.00 0.00 H new ATOM 783 N LYS A 51 13.167 -2.113 6.785 1.00 0.00 N ATOM 784 CA LYS A 51 13.010 -0.742 6.220 1.00 0.00 C ATOM 785 C LYS A 51 11.664 -0.120 6.772 1.00 0.00 C ATOM 786 O LYS A 51 11.637 0.166 7.962 1.00 0.00 O ATOM 787 CB LYS A 51 13.197 -0.647 4.640 1.00 0.00 C ATOM 788 CG LYS A 51 14.492 -1.234 4.038 1.00 0.00 C ATOM 789 CD LYS A 51 14.711 -0.858 2.591 1.00 0.00 C ATOM 790 CE LYS A 51 15.870 -1.590 1.900 1.00 0.00 C ATOM 791 NZ LYS A 51 15.846 -1.228 0.416 1.00 0.00 N ATOM 0 H LYS A 51 12.290 -2.632 6.819 1.00 0.00 H new ATOM 0 HA LYS A 51 13.839 -0.126 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.351 -1.148 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.141 0.404 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.344 -0.892 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.462 -2.320 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.794 -1.056 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.893 0.215 2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.822 -1.302 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.770 -2.668 2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.821 -1.140 0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.352 -1.973 -0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.348 -0.324 0.287 1.00 0.00 H new ATOM 805 N ARG A 52 10.602 0.091 5.959 1.00 0.00 N ATOM 806 CA ARG A 52 9.204 0.296 6.422 1.00 0.00 C ATOM 807 C ARG A 52 8.972 1.731 7.036 1.00 0.00 C ATOM 808 O ARG A 52 9.022 1.870 8.253 1.00 0.00 O ATOM 809 CB ARG A 52 8.629 -0.941 7.231 1.00 0.00 C ATOM 810 CG ARG A 52 7.087 -0.803 7.419 1.00 0.00 C ATOM 811 CD ARG A 52 6.319 -2.008 8.054 1.00 0.00 C ATOM 812 NE ARG A 52 6.735 -2.163 9.482 1.00 0.00 N ATOM 813 CZ ARG A 52 7.687 -3.018 9.888 1.00 0.00 C ATOM 814 NH1 ARG A 52 8.284 -3.878 9.089 1.00 0.00 N ATOM 815 NH2 ARG A 52 8.057 -2.983 11.126 1.00 0.00 N ATOM 0 H ARG A 52 10.692 0.125 4.944 1.00 0.00 H new ATOM 0 HA ARG A 52 8.560 0.309 5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.855 -1.866 6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.116 -1.004 8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.902 0.075 8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.647 -0.603 6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.244 -1.841 7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.532 -2.922 7.500 1.00 0.00 H new ATOM 0 HE ARG A 52 6.271 -1.588 10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.029 -3.919 8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.001 -4.503 9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.628 -2.317 11.768 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.778 -3.622 11.461 1.00 0.00 H new ATOM 829 N ARG A 53 8.668 2.735 6.212 1.00 0.00 N ATOM 830 CA ARG A 53 8.126 4.046 6.669 1.00 0.00 C ATOM 831 C ARG A 53 6.746 4.420 5.904 1.00 0.00 C ATOM 832 O ARG A 53 6.093 3.520 5.369 1.00 0.00 O ATOM 833 CB ARG A 53 9.321 5.070 6.743 1.00 0.00 C ATOM 834 CG ARG A 53 9.080 6.296 7.703 1.00 0.00 C ATOM 835 CD ARG A 53 10.339 7.163 8.008 1.00 0.00 C ATOM 836 NE ARG A 53 10.542 8.175 6.878 1.00 0.00 N ATOM 837 CZ ARG A 53 11.331 9.202 6.896 1.00 0.00 C ATOM 838 NH1 ARG A 53 12.042 9.557 7.954 1.00 0.00 N ATOM 839 NH2 ARG A 53 11.416 9.921 5.816 1.00 0.00 N ATOM 0 H ARG A 53 8.786 2.676 5.201 1.00 0.00 H new ATOM 0 HA ARG A 53 7.747 4.045 7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.216 4.540 7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.522 5.446 5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.317 6.937 7.262 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.678 5.924 8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.216 7.682 8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.219 6.526 8.104 1.00 0.00 H new ATOM 0 HE ARG A 53 10.002 8.026 6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.985 9.011 8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.647 10.377 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.871 9.669 4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.027 10.737 5.794 1.00 0.00 H new ATOM 853 N GLN A 54 6.295 5.663 5.905 1.00 0.00 N ATOM 854 CA GLN A 54 4.934 6.066 5.457 1.00 0.00 C ATOM 855 C GLN A 54 4.846 7.661 5.298 1.00 0.00 C ATOM 856 O GLN A 54 4.841 8.374 6.322 1.00 0.00 O ATOM 857 CB GLN A 54 3.961 5.626 6.554 1.00 0.00 C ATOM 858 CG GLN A 54 2.439 5.648 6.295 1.00 0.00 C ATOM 859 CD GLN A 54 1.550 5.241 7.498 1.00 0.00 C ATOM 860 OE1 GLN A 54 1.824 5.628 8.625 1.00 0.00 O ATOM 861 NE2 GLN A 54 0.411 4.642 7.281 1.00 0.00 N ATOM 0 H GLN A 54 6.861 6.451 6.220 1.00 0.00 H new ATOM 0 HA GLN A 54 4.699 5.610 4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.227 4.606 6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.150 6.254 7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.156 6.653 5.981 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.220 4.980 5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.176 4.317 6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.245 4.499 8.049 1.00 0.00 H new ATOM 870 N ARG A 55 4.831 8.158 4.057 1.00 0.00 N ATOM 871 CA ARG A 55 4.779 9.595 3.720 1.00 0.00 C ATOM 872 C ARG A 55 3.490 10.097 2.990 1.00 0.00 C ATOM 873 O ARG A 55 3.051 9.543 1.971 1.00 0.00 O ATOM 874 CB ARG A 55 6.093 9.837 2.936 1.00 0.00 C ATOM 875 CG ARG A 55 6.512 11.304 2.634 1.00 0.00 C ATOM 876 CD ARG A 55 7.870 11.361 1.879 1.00 0.00 C ATOM 877 NE ARG A 55 8.137 12.829 1.730 1.00 0.00 N ATOM 878 CZ ARG A 55 9.215 13.337 1.179 1.00 0.00 C ATOM 879 NH1 ARG A 55 10.245 12.658 0.761 1.00 0.00 N ATOM 880 NH2 ARG A 55 9.190 14.598 0.945 1.00 0.00 N ATOM 0 H ARG A 55 4.855 7.559 3.232 1.00 0.00 H new ATOM 0 HA ARG A 55 4.707 10.198 4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.904 9.368 3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.014 9.311 1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.741 11.789 2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.589 11.862 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.661 10.866 2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.810 10.865 0.910 1.00 0.00 H new ATOM 0 HE ARG A 55 7.432 13.478 2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.256 11.642 0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.040 13.142 0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.364 15.145 1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.997 15.054 0.518 1.00 0.00 H new ATOM 894 N ARG A 56 2.819 11.128 3.562 1.00 0.00 N ATOM 895 CA ARG A 56 1.473 11.629 3.039 1.00 0.00 C ATOM 896 C ARG A 56 1.587 12.943 2.187 1.00 0.00 C ATOM 897 O ARG A 56 2.170 13.920 2.675 1.00 0.00 O ATOM 898 CB ARG A 56 0.457 11.849 4.252 1.00 0.00 C ATOM 899 CG ARG A 56 -1.060 12.068 3.917 1.00 0.00 C ATOM 900 CD ARG A 56 -1.677 13.306 4.657 1.00 0.00 C ATOM 901 NE ARG A 56 -2.975 13.679 4.014 1.00 0.00 N ATOM 902 CZ ARG A 56 -3.173 14.414 2.906 1.00 0.00 C ATOM 903 NH1 ARG A 56 -2.281 15.231 2.397 1.00 0.00 N ATOM 904 NH2 ARG A 56 -4.328 14.296 2.340 1.00 0.00 N ATOM 0 H ARG A 56 3.162 11.639 4.376 1.00 0.00 H new ATOM 0 HA ARG A 56 1.094 10.856 2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.531 10.983 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.800 12.713 4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.174 12.201 2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.620 11.173 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.835 13.072 5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.985 14.148 4.618 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.816 13.332 4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.372 15.337 2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.497 15.760 1.552 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.029 13.671 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.539 14.828 1.496 1.00 0.00 H new ATOM 918 N ARG A 57 1.063 12.974 0.932 1.00 0.00 N ATOM 919 CA ARG A 57 1.111 14.220 0.091 1.00 0.00 C ATOM 920 C ARG A 57 -0.262 14.560 -0.635 1.00 0.00 C ATOM 921 O ARG A 57 -0.832 15.545 -0.189 1.00 0.00 O ATOM 922 CB ARG A 57 2.435 14.167 -0.710 1.00 0.00 C ATOM 923 CG ARG A 57 2.849 15.459 -1.494 1.00 0.00 C ATOM 924 CD ARG A 57 2.276 15.672 -2.941 1.00 0.00 C ATOM 925 NE ARG A 57 3.221 16.481 -3.744 1.00 0.00 N ATOM 926 CZ ARG A 57 2.997 17.602 -4.363 1.00 0.00 C ATOM 927 NH1 ARG A 57 1.940 18.303 -4.265 1.00 0.00 N ATOM 928 NH2 ARG A 57 3.946 18.013 -5.123 1.00 0.00 N ATOM 0 H ARG A 57 0.612 12.177 0.482 1.00 0.00 H new ATOM 0 HA ARG A 57 1.168 15.137 0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.239 13.920 -0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.366 13.346 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.558 16.320 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.937 15.471 -1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.110 14.708 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.309 16.172 -2.889 1.00 0.00 H new ATOM 0 HE ARG A 57 4.169 16.112 -3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.179 17.996 -3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.854 19.172 -4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.803 17.467 -5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.843 18.885 -5.641 1.00 0.00 H new ATOM 942 N PRO A 58 -0.805 13.848 -1.677 1.00 0.00 N ATOM 943 CA PRO A 58 -2.130 14.209 -2.326 1.00 0.00 C ATOM 944 C PRO A 58 -3.444 14.027 -1.493 1.00 0.00 C ATOM 945 O PRO A 58 -3.350 13.662 -0.294 1.00 0.00 O ATOM 946 CB PRO A 58 -2.076 13.303 -3.577 1.00 0.00 C ATOM 947 CG PRO A 58 -1.211 12.112 -3.185 1.00 0.00 C ATOM 948 CD PRO A 58 -0.106 12.730 -2.324 1.00 0.00 C ATOM 0 HA PRO A 58 -2.208 15.283 -2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.075 12.982 -3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.649 13.834 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.782 11.368 -2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.801 11.610 -4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.288 12.020 -1.596 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.737 13.070 -2.926 1.00 0.00 H new ATOM 956 N PRO A 59 -4.683 14.315 -2.044 1.00 0.00 N ATOM 957 CA PRO A 59 -5.945 14.147 -1.243 1.00 0.00 C ATOM 958 C PRO A 59 -6.255 12.817 -0.474 1.00 0.00 C ATOM 959 O PRO A 59 -6.315 12.867 0.758 1.00 0.00 O ATOM 960 CB PRO A 59 -7.064 14.743 -2.133 1.00 0.00 C ATOM 961 CG PRO A 59 -6.365 15.585 -3.197 1.00 0.00 C ATOM 962 CD PRO A 59 -4.965 14.970 -3.371 1.00 0.00 C ATOM 0 HA PRO A 59 -5.821 14.684 -0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.658 13.952 -2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.747 15.353 -1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.919 15.566 -4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.298 16.628 -2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.946 14.245 -4.185 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.221 15.732 -3.605 1.00 0.00 H new ATOM 970 N GLN A 60 -6.458 11.595 -1.014 1.00 0.00 N ATOM 971 CA GLN A 60 -6.490 11.226 -2.464 1.00 0.00 C ATOM 972 C GLN A 60 -7.529 10.099 -2.821 1.00 0.00 C ATOM 973 O GLN A 60 -8.040 9.370 -1.964 1.00 0.00 O ATOM 974 CB GLN A 60 -5.015 10.833 -2.892 1.00 0.00 C ATOM 975 CG GLN A 60 -4.671 10.433 -4.363 1.00 0.00 C ATOM 976 CD GLN A 60 -4.985 11.394 -5.489 1.00 0.00 C ATOM 977 OE1 GLN A 60 -6.078 11.913 -5.629 1.00 0.00 O ATOM 978 NE2 GLN A 60 -4.089 11.558 -6.449 1.00 0.00 N ATOM 0 H GLN A 60 -6.615 10.782 -0.419 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.840 12.088 -3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.375 11.677 -2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.713 9.999 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.602 10.221 -4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.189 9.498 -4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.165 11.136 -6.361 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.323 12.107 -7.277 1.00 0.00 H new ATOM 987 N GLY A 61 -7.894 10.018 -4.083 1.00 0.00 N ATOM 988 CA GLY A 61 -8.482 8.805 -4.729 1.00 0.00 C ATOM 989 C GLY A 61 -7.536 7.604 -4.876 1.00 0.00 C ATOM 990 O GLY A 61 -7.407 6.811 -3.933 1.00 0.00 O ATOM 0 H GLY A 61 -7.798 10.802 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.350 8.492 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.844 9.082 -5.719 1.00 0.00 H new ATOM 994 N ASN A 62 -6.704 7.601 -5.935 1.00 0.00 N ATOM 995 CA ASN A 62 -5.631 6.562 -6.143 1.00 0.00 C ATOM 996 C ASN A 62 -4.661 6.174 -4.942 1.00 0.00 C ATOM 997 O ASN A 62 -4.719 5.030 -4.498 1.00 0.00 O ATOM 998 CB ASN A 62 -4.800 6.841 -7.425 1.00 0.00 C ATOM 999 CG ASN A 62 -5.490 7.519 -8.599 1.00 0.00 C ATOM 1000 OD1 ASN A 62 -5.337 8.711 -8.784 1.00 0.00 O ATOM 1001 ND2 ASN A 62 -6.277 6.866 -9.412 1.00 0.00 N ATOM 0 H ASN A 62 -6.741 8.303 -6.674 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.249 5.669 -6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.947 7.457 -7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.403 5.889 -7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.742 7.357 -10.175 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.426 5.865 -9.283 1.00 0.00 H new ATOM 1008 N GLN A 63 -3.886 7.075 -4.317 1.00 0.00 N ATOM 1009 CA GLN A 63 -3.176 6.795 -2.998 1.00 0.00 C ATOM 1010 C GLN A 63 -4.063 6.429 -1.729 1.00 0.00 C ATOM 1011 O GLN A 63 -3.514 6.083 -0.690 1.00 0.00 O ATOM 1012 CB GLN A 63 -2.196 8.021 -2.735 1.00 0.00 C ATOM 1013 CG GLN A 63 -1.062 7.809 -1.709 1.00 0.00 C ATOM 1014 CD GLN A 63 0.044 8.894 -1.620 1.00 0.00 C ATOM 1015 OE1 GLN A 63 0.152 9.670 -0.676 1.00 0.00 O ATOM 1016 NE2 GLN A 63 0.889 8.948 -2.652 1.00 0.00 N ATOM 0 H GLN A 63 -3.717 8.013 -4.681 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.645 5.852 -3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.743 8.302 -3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.796 8.869 -2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.516 7.712 -0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.581 6.857 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.787 8.296 -3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.637 9.641 -2.663 1.00 0.00 H new ATOM 1025 N ALA A 64 -5.403 6.455 -1.779 1.00 0.00 N ATOM 1026 CA ALA A 64 -6.296 5.622 -0.877 1.00 0.00 C ATOM 1027 C ALA A 64 -6.722 4.186 -1.372 1.00 0.00 C ATOM 1028 O ALA A 64 -6.834 3.251 -0.559 1.00 0.00 O ATOM 1029 CB ALA A 64 -7.548 6.517 -0.662 1.00 0.00 C ATOM 0 H ALA A 64 -5.921 7.042 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.728 5.372 0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.259 5.999 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.249 7.454 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.015 6.726 -1.624 1.00 0.00 H new ATOM 1035 N HIS A 65 -6.982 4.050 -2.689 1.00 0.00 N ATOM 1036 CA HIS A 65 -7.383 2.739 -3.351 1.00 0.00 C ATOM 1037 C HIS A 65 -6.153 1.824 -3.743 1.00 0.00 C ATOM 1038 O HIS A 65 -6.050 0.624 -3.365 1.00 0.00 O ATOM 1039 CB HIS A 65 -8.369 3.076 -4.582 1.00 0.00 C ATOM 1040 CG HIS A 65 -9.765 3.445 -4.174 1.00 0.00 C ATOM 1041 ND1 HIS A 65 -10.937 2.954 -4.744 1.00 0.00 N ATOM 1042 CD2 HIS A 65 -10.006 4.581 -3.413 1.00 0.00 C ATOM 1043 CE1 HIS A 65 -11.819 3.853 -4.265 1.00 0.00 C ATOM 1044 NE2 HIS A 65 -11.348 4.853 -3.471 1.00 0.00 N ATOM 0 H HIS A 65 -6.927 4.830 -3.344 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.920 2.123 -2.630 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.943 3.897 -5.159 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.413 2.211 -5.244 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.266 5.150 -2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.870 3.782 -4.504 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.864 5.614 -3.030 1.00 0.00 H new ATOM 1053 N GLN A 66 -5.222 2.265 -4.536 1.00 0.00 N ATOM 1054 CA GLN A 66 -4.428 1.476 -5.514 1.00 0.00 C ATOM 1055 C GLN A 66 -3.216 0.702 -4.922 1.00 0.00 C ATOM 1056 O GLN A 66 -2.636 1.040 -3.885 1.00 0.00 O ATOM 1057 CB GLN A 66 -4.116 2.621 -6.538 1.00 0.00 C ATOM 1058 CG GLN A 66 -3.360 2.279 -7.812 1.00 0.00 C ATOM 1059 CD GLN A 66 -2.391 3.367 -8.350 1.00 0.00 C ATOM 1060 OE1 GLN A 66 -2.630 4.018 -9.342 1.00 0.00 O ATOM 1061 NE2 GLN A 66 -1.290 3.630 -7.711 1.00 0.00 N ATOM 0 H GLN A 66 -4.956 3.250 -4.540 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.930 0.612 -5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.065 3.072 -6.828 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.547 3.388 -6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.788 1.368 -7.636 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.088 2.053 -8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.050 3.105 -6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.666 4.362 -8.050 1.00 0.00 H new ATOM 1070 N ASP A 67 -2.751 -0.301 -5.645 1.00 0.00 N ATOM 1071 CA ASP A 67 -1.330 -0.747 -5.504 1.00 0.00 C ATOM 1072 C ASP A 67 -0.390 -0.110 -6.638 1.00 0.00 C ATOM 1073 O ASP A 67 0.592 0.520 -6.261 1.00 0.00 O ATOM 1074 CB ASP A 67 -1.189 -2.297 -5.445 1.00 0.00 C ATOM 1075 CG ASP A 67 -0.617 -2.982 -4.216 1.00 0.00 C ATOM 1076 OD1 ASP A 67 -0.643 -2.445 -3.096 1.00 0.00 O ATOM 1077 OD2 ASP A 67 -0.092 -4.103 -4.423 1.00 0.00 O ATOM 0 H ASP A 67 -3.300 -0.826 -6.325 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.985 -0.369 -4.542 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.182 -2.715 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.572 -2.594 -6.293 1.00 0.00 H new ATOM 1082 N PRO A 68 -0.513 -0.216 -8.032 1.00 0.00 N ATOM 1083 CA PRO A 68 0.618 -0.038 -9.006 1.00 0.00 C ATOM 1084 C PRO A 68 0.665 1.369 -9.689 1.00 0.00 C ATOM 1085 O PRO A 68 1.101 2.303 -9.046 1.00 0.00 O ATOM 1086 CB PRO A 68 0.429 -1.299 -9.870 1.00 0.00 C ATOM 1087 CG PRO A 68 -1.075 -1.452 -10.045 1.00 0.00 C ATOM 1088 CD PRO A 68 -1.587 -1.023 -8.659 1.00 0.00 C ATOM 0 HA PRO A 68 1.624 0.007 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.927 -1.192 -10.834 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.858 -2.175 -9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.463 -0.816 -10.841 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.358 -2.476 -10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.504 -0.441 -8.750 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.822 -1.894 -8.048 1.00 0.00 H new ATOM 1096 N LEU A 69 0.329 1.540 -10.966 1.00 0.00 N ATOM 1097 CA LEU A 69 0.026 2.814 -11.694 1.00 0.00 C ATOM 1098 C LEU A 69 -0.901 2.612 -12.954 1.00 0.00 C ATOM 1099 O LEU A 69 -1.892 3.350 -12.998 1.00 0.00 O ATOM 1100 CB LEU A 69 1.312 3.612 -12.176 1.00 0.00 C ATOM 1101 CG LEU A 69 2.256 4.312 -11.182 1.00 0.00 C ATOM 1102 CD1 LEU A 69 3.421 4.988 -11.896 1.00 0.00 C ATOM 1103 CD2 LEU A 69 1.511 5.404 -10.349 1.00 0.00 C ATOM 0 H LEU A 69 0.249 0.736 -11.588 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.495 3.399 -10.936 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.921 2.912 -12.748 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.966 4.376 -12.872 1.00 0.00 H new ATOM 0 HG LEU A 69 2.627 3.529 -10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.066 5.472 -11.162 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.993 4.241 -12.446 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.038 5.735 -12.591 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.211 5.875 -9.659 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.101 6.158 -11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.701 4.942 -9.785 1.00 0.00 H new ATOM 1115 N PRO A 70 -0.706 1.662 -13.986 1.00 0.00 N ATOM 1116 CA PRO A 70 -1.564 1.564 -15.231 1.00 0.00 C ATOM 1117 C PRO A 70 -2.898 0.709 -15.003 1.00 0.00 C ATOM 1118 O PRO A 70 -2.922 -0.312 -14.284 1.00 0.00 O ATOM 1119 CB PRO A 70 -0.541 0.916 -16.177 1.00 0.00 C ATOM 1120 CG PRO A 70 0.285 -0.021 -15.313 1.00 0.00 C ATOM 1121 CD PRO A 70 0.263 0.537 -13.899 1.00 0.00 C ATOM 0 HA PRO A 70 -1.983 2.501 -15.597 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.040 0.371 -16.979 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.089 1.671 -16.648 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.128 -1.030 -15.335 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.307 -0.087 -15.685 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.057 -0.213 -13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.250 0.880 -13.587 1.00 0.00 H new ATOM 1129 N GLU A 71 -3.936 1.095 -15.757 1.00 0.00 N ATOM 1130 CA GLU A 71 -5.208 0.351 -15.923 1.00 0.00 C ATOM 1131 C GLU A 71 -5.050 -1.028 -16.742 1.00 0.00 C ATOM 1132 O GLU A 71 -5.515 -1.189 -17.875 1.00 0.00 O ATOM 1133 CB GLU A 71 -6.165 1.395 -16.560 1.00 0.00 C ATOM 1134 CG GLU A 71 -5.815 2.121 -17.905 1.00 0.00 C ATOM 1135 CD GLU A 71 -5.059 3.421 -17.783 1.00 0.00 C ATOM 1136 OE1 GLU A 71 -3.833 3.439 -17.588 1.00 0.00 O ATOM 1137 OE2 GLU A 71 -5.718 4.478 -17.785 1.00 0.00 O ATOM 0 H GLU A 71 -3.920 1.964 -16.290 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.605 -0.022 -14.979 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.122 0.896 -16.711 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.325 2.173 -15.814 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.227 1.439 -18.519 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.744 2.314 -18.442 1.00 0.00 H new ATOM 1144 N GLN A 72 -4.397 -2.022 -16.111 1.00 0.00 N ATOM 1145 CA GLN A 72 -4.279 -3.403 -16.674 1.00 0.00 C ATOM 1146 C GLN A 72 -4.387 -4.513 -15.548 1.00 0.00 C ATOM 1147 O GLN A 72 -3.344 -4.842 -14.958 1.00 0.00 O ATOM 1148 CB GLN A 72 -2.907 -3.512 -17.407 1.00 0.00 C ATOM 1149 CG GLN A 72 -2.765 -2.680 -18.702 1.00 0.00 C ATOM 1150 CD GLN A 72 -1.377 -2.556 -19.236 1.00 0.00 C ATOM 1151 OE1 GLN A 72 -0.356 -3.096 -18.756 1.00 0.00 O ATOM 1152 NE2 GLN A 72 -1.234 -1.751 -20.285 1.00 0.00 N ATOM 0 H GLN A 72 -3.938 -1.905 -15.208 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.103 -3.575 -17.367 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.122 -3.208 -16.715 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.729 -4.560 -17.650 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.393 -3.128 -19.472 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.155 -1.679 -18.515 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.051 -1.298 -20.695 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.308 -1.586 -20.679 1.00 0.00 H new ATOM 1161 N PRO A 73 -5.548 -5.124 -15.194 1.00 0.00 N ATOM 1162 CA PRO A 73 -5.597 -5.939 -13.934 1.00 0.00 C ATOM 1163 C PRO A 73 -5.040 -7.432 -14.082 1.00 0.00 C ATOM 1164 O PRO A 73 -5.730 -8.377 -14.444 1.00 0.00 O ATOM 1165 CB PRO A 73 -7.080 -5.855 -13.632 1.00 0.00 C ATOM 1166 CG PRO A 73 -7.812 -5.749 -14.979 1.00 0.00 C ATOM 1167 CD PRO A 73 -6.858 -4.897 -15.827 1.00 0.00 C ATOM 0 HA PRO A 73 -4.947 -5.575 -13.138 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.411 -6.736 -13.082 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.297 -4.989 -13.007 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.981 -6.729 -15.424 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.788 -5.275 -14.871 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.860 -5.210 -16.871 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.136 -3.843 -15.809 1.00 0.00 H new ATOM 1175 N SER A 74 -3.801 -7.661 -13.604 1.00 0.00 N ATOM 1176 CA SER A 74 -3.200 -8.999 -13.291 1.00 0.00 C ATOM 1177 C SER A 74 -2.139 -8.851 -12.146 1.00 0.00 C ATOM 1178 O SER A 74 -2.475 -8.398 -11.048 1.00 0.00 O ATOM 1179 CB SER A 74 -2.735 -9.702 -14.599 1.00 0.00 C ATOM 1180 OG SER A 74 -2.116 -10.969 -14.376 1.00 0.00 O ATOM 0 H SER A 74 -3.154 -6.896 -13.413 1.00 0.00 H new ATOM 0 HA SER A 74 -3.939 -9.687 -12.881 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.595 -9.837 -15.255 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.034 -9.051 -15.122 1.00 0.00 H new ATOM 0 HG SER A 74 -1.849 -11.358 -15.235 1.00 0.00 H new ATOM 1186 N SER A 75 -0.837 -9.237 -12.297 1.00 0.00 N ATOM 1187 CA SER A 75 0.146 -9.136 -11.183 1.00 0.00 C ATOM 1188 C SER A 75 1.588 -8.665 -11.599 1.00 0.00 C ATOM 1189 O SER A 75 2.016 -8.792 -12.753 1.00 0.00 O ATOM 1190 CB SER A 75 0.135 -10.432 -10.359 1.00 0.00 C ATOM 1191 OG SER A 75 0.734 -11.485 -11.132 1.00 0.00 O ATOM 0 H SER A 75 -0.453 -9.614 -13.164 1.00 0.00 H new ATOM 0 HA SER A 75 -0.188 -8.317 -10.546 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.683 -10.290 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.887 -10.698 -10.090 1.00 0.00 H new ATOM 0 HG SER A 75 0.732 -12.315 -10.611 1.00 0.00 H new ATOM 1197 N GLN A 76 2.309 -8.070 -10.624 1.00 0.00 N ATOM 1198 CA GLN A 76 3.635 -7.401 -10.872 1.00 0.00 C ATOM 1199 C GLN A 76 3.567 -6.074 -11.735 1.00 0.00 C ATOM 1200 O GLN A 76 3.873 -6.092 -12.950 1.00 0.00 O ATOM 1201 CB GLN A 76 4.738 -8.477 -11.105 1.00 0.00 C ATOM 1202 CG GLN A 76 6.155 -7.898 -11.044 1.00 0.00 C ATOM 1203 CD GLN A 76 7.276 -8.901 -10.750 1.00 0.00 C ATOM 1204 OE1 GLN A 76 7.806 -8.926 -9.671 1.00 0.00 O ATOM 1205 NE2 GLN A 76 7.754 -9.640 -11.713 1.00 0.00 N ATOM 0 H GLN A 76 2.006 -8.032 -9.651 1.00 0.00 H new ATOM 0 HA GLN A 76 4.000 -6.898 -9.976 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.638 -9.261 -10.355 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.583 -8.945 -12.077 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.369 -7.412 -11.996 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.177 -7.123 -10.278 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.313 -9.627 -12.633 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.569 -10.231 -11.546 1.00 0.00 H new ATOM 1214 N HIS A 77 3.152 -4.949 -11.042 1.00 0.00 N ATOM 1215 CA HIS A 77 2.822 -3.648 -11.690 1.00 0.00 C ATOM 1216 C HIS A 77 1.652 -3.619 -12.723 1.00 0.00 C ATOM 1217 O HIS A 77 1.836 -3.212 -13.859 1.00 0.00 O ATOM 1218 CB HIS A 77 4.162 -2.959 -12.061 1.00 0.00 C ATOM 1219 CG HIS A 77 4.058 -1.457 -12.330 1.00 0.00 C ATOM 1220 ND1 HIS A 77 4.055 -0.458 -11.370 1.00 0.00 N ATOM 1221 CD2 HIS A 77 4.001 -0.846 -13.653 1.00 0.00 C ATOM 1222 CE1 HIS A 77 3.976 0.654 -12.167 1.00 0.00 C ATOM 1223 NE2 HIS A 77 3.916 0.523 -13.537 1.00 0.00 N ATOM 0 H HIS A 77 3.043 -4.934 -10.028 1.00 0.00 H new ATOM 0 HA HIS A 77 2.304 -3.014 -10.970 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.874 -3.120 -11.251 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.571 -3.445 -12.947 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.099 -0.530 -10.354 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.022 -1.388 -14.587 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.961 1.637 -11.719 1.00 0.00 H new ATOM 1232 N ARG A 78 0.536 -4.169 -12.302 1.00 0.00 N ATOM 1233 CA ARG A 78 -0.641 -4.447 -13.148 1.00 0.00 C ATOM 1234 C ARG A 78 -1.928 -4.215 -12.326 1.00 0.00 C ATOM 1235 O ARG A 78 -2.545 -3.165 -12.481 1.00 0.00 O ATOM 1236 CB ARG A 78 -0.513 -5.902 -13.687 1.00 0.00 C ATOM 1237 CG ARG A 78 0.576 -6.348 -14.705 1.00 0.00 C ATOM 1238 CD ARG A 78 0.281 -5.943 -16.178 1.00 0.00 C ATOM 1239 NE ARG A 78 1.262 -6.670 -17.082 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.359 -6.586 -18.392 1.00 0.00 C ATOM 1241 NH1 ARG A 78 0.607 -5.769 -19.139 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.276 -7.312 -18.968 1.00 0.00 N ATOM 0 H ARG A 78 0.401 -4.451 -11.331 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.693 -3.775 -14.004 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.398 -6.544 -12.814 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.474 -6.148 -14.139 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.533 -5.918 -14.407 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.683 -7.431 -14.653 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.744 -6.202 -16.444 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.379 -4.865 -16.302 1.00 0.00 H new ATOM 0 HE ARG A 78 1.922 -7.296 -16.620 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.087 -5.167 -18.696 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.728 -5.748 -20.152 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.880 -7.911 -18.405 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.389 -7.281 -19.981 1.00 0.00 H new ATOM 1256 N GLY A 79 -2.418 -5.183 -11.533 1.00 0.00 N ATOM 1257 CA GLY A 79 -3.544 -5.008 -10.583 1.00 0.00 C ATOM 1258 C GLY A 79 -3.187 -5.519 -9.162 1.00 0.00 C ATOM 1259 O GLY A 79 -3.722 -6.536 -8.742 1.00 0.00 O ATOM 0 H GLY A 79 -2.039 -6.130 -11.530 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.815 -3.954 -10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.418 -5.545 -10.953 1.00 0.00 H new ATOM 1263 N ASP A 80 -2.278 -4.831 -8.450 1.00 0.00 N ATOM 1264 CA ASP A 80 -1.504 -5.434 -7.304 1.00 0.00 C ATOM 1265 C ASP A 80 -2.239 -5.965 -6.019 1.00 0.00 C ATOM 1266 O ASP A 80 -1.768 -6.863 -5.313 1.00 0.00 O ATOM 1267 CB ASP A 80 -0.442 -6.398 -7.903 1.00 0.00 C ATOM 1268 CG ASP A 80 0.831 -5.742 -8.446 1.00 0.00 C ATOM 1269 OD1 ASP A 80 0.795 -4.754 -9.236 1.00 0.00 O ATOM 1270 OD2 ASP A 80 1.935 -6.203 -8.077 1.00 0.00 O ATOM 0 H ASP A 80 -2.047 -3.855 -8.633 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.049 -4.580 -6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.157 -7.116 -7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.908 -6.964 -8.710 1.00 0.00 H new ATOM 1275 N HIS A 81 -3.351 -5.279 -5.623 1.00 0.00 N ATOM 1276 CA HIS A 81 -4.090 -5.608 -4.339 1.00 0.00 C ATOM 1277 C HIS A 81 -5.634 -5.353 -4.197 1.00 0.00 C ATOM 1278 O HIS A 81 -6.191 -6.047 -3.330 1.00 0.00 O ATOM 1279 CB HIS A 81 -3.357 -5.189 -3.054 1.00 0.00 C ATOM 1280 CG HIS A 81 -3.672 -3.777 -2.653 1.00 0.00 C ATOM 1281 ND1 HIS A 81 -3.871 -2.708 -3.524 1.00 0.00 N ATOM 1282 CD2 HIS A 81 -3.590 -3.350 -1.335 1.00 0.00 C ATOM 1283 CE1 HIS A 81 -3.901 -1.694 -2.639 1.00 0.00 C ATOM 1284 NE2 HIS A 81 -3.738 -1.987 -1.321 1.00 0.00 N ATOM 0 H HIS A 81 -3.758 -4.509 -6.153 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.059 -6.689 -4.472 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.633 -5.864 -2.244 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.282 -5.291 -3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.437 -3.981 -0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.050 -0.676 -2.967 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.728 -1.352 -0.523 1.00 0.00 H new ATOM 1293 N PRO A 82 -6.333 -4.350 -4.789 1.00 0.00 N ATOM 1294 CA PRO A 82 -7.818 -4.291 -4.850 1.00 0.00 C ATOM 1295 C PRO A 82 -8.540 -5.052 -6.003 1.00 0.00 C ATOM 1296 O PRO A 82 -7.905 -5.657 -6.846 1.00 0.00 O ATOM 1297 CB PRO A 82 -8.021 -2.733 -4.890 1.00 0.00 C ATOM 1298 CG PRO A 82 -6.695 -2.103 -5.296 1.00 0.00 C ATOM 1299 CD PRO A 82 -5.758 -3.266 -5.620 1.00 0.00 C ATOM 0 HA PRO A 82 -8.283 -4.822 -4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.804 -2.468 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.337 -2.363 -3.915 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.821 -1.451 -6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.292 -1.490 -4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.765 -3.515 -6.681 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.725 -3.047 -5.351 1.00 0.00 H new ATOM 1307 N THR A 83 -9.861 -4.865 -6.116 1.00 0.00 N ATOM 1308 CA THR A 83 -10.479 -4.768 -7.492 1.00 0.00 C ATOM 1309 C THR A 83 -10.230 -3.308 -8.033 1.00 0.00 C ATOM 1310 O THR A 83 -11.003 -2.382 -7.780 1.00 0.00 O ATOM 1311 CB THR A 83 -11.939 -5.285 -7.433 1.00 0.00 C ATOM 1312 OG1 THR A 83 -12.092 -6.561 -6.848 1.00 0.00 O ATOM 1313 CG2 THR A 83 -12.613 -5.437 -8.802 1.00 0.00 C ATOM 0 H THR A 83 -10.511 -4.779 -5.335 1.00 0.00 H new ATOM 0 HA THR A 83 -10.018 -5.417 -8.236 1.00 0.00 H new ATOM 0 HB THR A 83 -12.400 -4.503 -6.829 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.040 -6.810 -6.849 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.631 -5.803 -8.668 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.639 -4.470 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.049 -6.146 -9.408 1.00 0.00 H new ATOM 1321 N GLY A 84 -9.043 -3.084 -8.615 1.00 0.00 N ATOM 1322 CA GLY A 84 -8.588 -1.668 -8.878 1.00 0.00 C ATOM 1323 C GLY A 84 -7.177 -1.616 -9.433 1.00 0.00 C ATOM 1324 O GLY A 84 -6.204 -1.699 -8.637 1.00 0.00 O ATOM 0 H GLY A 84 -8.392 -3.812 -8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.272 -1.193 -9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.634 -1.095 -7.952 1.00 0.00 H new ATOM 1328 N PRO A 85 -6.907 -1.571 -10.768 1.00 0.00 N ATOM 1329 CA PRO A 85 -5.551 -1.212 -11.308 1.00 0.00 C ATOM 1330 C PRO A 85 -5.108 0.301 -11.326 1.00 0.00 C ATOM 1331 O PRO A 85 -3.924 0.541 -11.248 1.00 0.00 O ATOM 1332 CB PRO A 85 -5.691 -1.797 -12.731 1.00 0.00 C ATOM 1333 CG PRO A 85 -7.181 -1.657 -13.113 1.00 0.00 C ATOM 1334 CD PRO A 85 -7.898 -1.888 -11.818 1.00 0.00 C ATOM 0 HA PRO A 85 -4.756 -1.594 -10.668 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.057 -1.260 -13.436 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.380 -2.841 -12.754 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.399 -0.671 -13.522 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.472 -2.387 -13.868 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.778 -1.250 -11.735 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.243 -2.919 -11.737 1.00 0.00 H new ATOM 1342 N LYS A 86 -6.049 1.276 -11.436 1.00 0.00 N ATOM 1343 CA LYS A 86 -5.748 2.733 -11.355 1.00 0.00 C ATOM 1344 C LYS A 86 -6.843 3.508 -10.585 1.00 0.00 C ATOM 1345 O LYS A 86 -7.807 4.024 -11.174 1.00 0.00 O ATOM 1346 CB LYS A 86 -5.487 3.146 -12.818 1.00 0.00 C ATOM 1347 CG LYS A 86 -5.061 4.651 -13.045 1.00 0.00 C ATOM 1348 CD LYS A 86 -4.785 4.824 -14.536 1.00 0.00 C ATOM 1349 CE LYS A 86 -4.461 6.238 -15.027 1.00 0.00 C ATOM 1350 NZ LYS A 86 -4.127 6.133 -16.489 1.00 0.00 N ATOM 0 H LYS A 86 -7.038 1.075 -11.583 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.871 2.981 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.706 2.503 -13.223 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.391 2.953 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.851 5.327 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.174 4.892 -12.459 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.952 4.174 -14.803 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.656 4.467 -15.085 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.311 6.903 -14.873 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.623 6.657 -14.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.818 7.061 -16.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.363 5.440 -16.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.969 5.825 -17.016 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.670 3.533 -9.250 1.00 0.00 N ATOM 1365 CA GLU A 87 -7.789 3.592 -8.286 1.00 0.00 C ATOM 1366 C GLU A 87 -8.020 2.093 -7.877 1.00 0.00 C ATOM 1367 O GLU A 87 -8.927 1.444 -8.444 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.001 4.480 -8.641 1.00 0.00 C ATOM 1369 CG GLU A 87 -9.986 5.032 -7.510 1.00 0.00 C ATOM 1370 CD GLU A 87 -9.972 6.505 -7.051 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -9.182 7.318 -7.562 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -10.754 6.888 -6.138 1.00 0.00 O ATOM 1373 OXT GLU A 87 -7.170 1.526 -7.135 1.00 0.00 O ATOM 0 H GLU A 87 -5.751 3.513 -8.808 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.541 4.185 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.614 5.347 -9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.612 3.917 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.000 4.819 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.812 4.426 -6.621 1.00 0.00 H new TER 1380 GLU A 87