USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=25 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 60 GLN : amide:sc= -0.308 K(o=-0.66,f=-4.4!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.35 X(o=-0.66,f=-1.1) USER MOD Set 2.1: A 12 ASN : amide:sc= 1.62 K(o=2.6,f=-0.83) USER MOD Set 2.2: A 46 SER OG : rot -167:sc= 1 USER MOD Set 3.1: A 13 HIS : no HD1:sc= -1.73 K(o=-9.8,f=-14!) USER MOD Set 3.2: A 33 HIS : no HE2:sc= -0.146 K(o=-9.8,f=-12) USER MOD Set 3.3: A 81 HIS : no HD1:sc= -7.97! C(o=-9.8!,f=-18!) USER MOD Set 4.1: A 23 ASN : amide:sc= -0.129 K(o=1.2,f=-0.6) USER MOD Set 4.2: A 28 LYS NZ :NH3+ -158:sc= 1.32 (180deg=0.212) USER MOD Set 5.1: A 27 CYS SG : rot -26:sc= 0.334 USER MOD Set 5.2: A 37 CYS SG : rot 38:sc= 0.225 USER MOD Set 6.1: A 22 CYS SG : rot -18:sc= -1.03 USER MOD Set 6.2: A 54 GLN : amide:sc= 0.243 K(o=-0.79,f=-1.4) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0388 (180deg=-0.325) USER MOD Single : A 1 MET N :NH3+ 142:sc= -0.0411 (180deg=-0.484) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -95:sc= 1.19 USER MOD Single : A 17 GLN : amide:sc= -1.12! C(o=-1.1!,f=-3.8!) USER MOD Single : A 20 THR OG1 : rot 1:sc= 0.624 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -60:sc= -0.0256 USER MOD Single : A 26 TYR OH : rot 26:sc= 1.04 USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 0.995 (180deg=0.841) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 61:sc= 0.0686 USER MOD Single : A 32 TYR OH : rot 98:sc= 0.128 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 45:sc= 0.462 USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= 2.41 (180deg=2.1) USER MOD Single : A 47 TYR OH : rot -116:sc= 0.21 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0.434 (180deg=0.422) USER MOD Single : A 63 GLN : amide:sc= 0.337 K(o=0.34,f=-0.48) USER MOD Single : A 65 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-1.1) USER MOD Single : A 66 GLN : amide:sc= -0.0127 K(o=-0.013,f=-2.4!) USER MOD Single : A 72 GLN : amide:sc= 0.488 K(o=0.49,f=-3.2!) 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 HD1:sc=-0.00891 X(o=-0.0089,f=-0.26) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 1.16 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.700 4.411 -1.544 1.00 0.00 N ATOM 2 CA MET A 1 10.275 4.816 -1.697 1.00 0.00 C ATOM 3 C MET A 1 9.939 6.151 -0.945 1.00 0.00 C ATOM 4 O MET A 1 9.392 7.112 -1.488 1.00 0.00 O ATOM 5 CB MET A 1 9.349 3.586 -1.415 1.00 0.00 C ATOM 6 CG MET A 1 9.408 2.461 -2.477 1.00 0.00 C ATOM 7 SD MET A 1 8.581 0.977 -1.812 1.00 0.00 S ATOM 8 CE MET A 1 8.822 -0.149 -3.201 1.00 0.00 C ATOM 0 H1 MET A 1 11.759 3.377 -1.448 1.00 0.00 H new ATOM 0 H2 MET A 1 12.238 4.712 -2.381 1.00 0.00 H new ATOM 0 H3 MET A 1 12.099 4.860 -0.695 1.00 0.00 H new ATOM 0 HA MET A 1 10.070 5.096 -2.730 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.617 3.164 -0.446 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.320 3.936 -1.336 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.920 2.784 -3.396 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.444 2.234 -2.729 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.112 -0.973 -3.129 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.661 0.387 -4.136 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.838 -0.542 -3.178 1.00 0.00 H new ATOM 19 N ASP A 2 10.366 6.256 0.343 1.00 0.00 N ATOM 20 CA ASP A 2 10.213 7.504 1.181 1.00 0.00 C ATOM 21 C ASP A 2 10.951 8.840 0.701 1.00 0.00 C ATOM 22 O ASP A 2 10.409 9.906 0.944 1.00 0.00 O ATOM 23 CB ASP A 2 10.408 7.072 2.666 1.00 0.00 C ATOM 24 CG ASP A 2 9.621 7.940 3.665 1.00 0.00 C ATOM 25 OD1 ASP A 2 9.815 9.157 3.693 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.863 7.370 4.498 1.00 0.00 O ATOM 0 H ASP A 2 10.824 5.491 0.837 1.00 0.00 H new ATOM 0 HA ASP A 2 9.206 7.896 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.099 6.033 2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.469 7.118 2.913 1.00 0.00 H new ATOM 31 N PRO A 3 12.121 8.941 -0.051 1.00 0.00 N ATOM 32 CA PRO A 3 12.722 10.267 -0.402 1.00 0.00 C ATOM 33 C PRO A 3 12.087 11.170 -1.511 1.00 0.00 C ATOM 34 O PRO A 3 12.441 12.343 -1.528 1.00 0.00 O ATOM 35 CB PRO A 3 14.198 9.878 -0.731 1.00 0.00 C ATOM 36 CG PRO A 3 14.171 8.415 -1.236 1.00 0.00 C ATOM 37 CD PRO A 3 13.051 7.826 -0.356 1.00 0.00 C ATOM 0 HA PRO A 3 12.554 10.947 0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.613 10.542 -1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.829 9.971 0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.939 8.349 -2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.124 7.908 -1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.533 7.020 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.461 7.402 0.560 1.00 0.00 H new ATOM 45 N VAL A 4 11.061 10.734 -2.262 1.00 0.00 N ATOM 46 CA VAL A 4 10.493 11.539 -3.361 1.00 0.00 C ATOM 47 C VAL A 4 9.501 12.634 -2.713 1.00 0.00 C ATOM 48 O VAL A 4 9.979 13.644 -2.219 1.00 0.00 O ATOM 49 CB VAL A 4 9.946 10.610 -4.461 1.00 0.00 C ATOM 50 CG1 VAL A 4 9.381 11.408 -5.611 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.954 9.649 -5.107 1.00 0.00 C ATOM 0 H VAL A 4 10.608 9.830 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 4 11.230 12.130 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 4 9.206 10.023 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.002 10.728 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.569 12.040 -5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.164 12.033 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.450 9.049 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.756 10.222 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.372 8.993 -4.343 1.00 0.00 H new ATOM 61 N ASP A 5 8.163 12.439 -2.692 1.00 0.00 N ATOM 62 CA ASP A 5 7.214 13.424 -2.093 1.00 0.00 C ATOM 63 C ASP A 5 5.982 12.818 -1.328 1.00 0.00 C ATOM 64 O ASP A 5 5.795 13.220 -0.185 1.00 0.00 O ATOM 65 CB ASP A 5 7.050 14.732 -2.888 1.00 0.00 C ATOM 66 CG ASP A 5 6.177 14.843 -4.116 1.00 0.00 C ATOM 67 OD1 ASP A 5 5.817 13.881 -4.796 1.00 0.00 O ATOM 68 OD2 ASP A 5 5.842 16.002 -4.441 1.00 0.00 O ATOM 0 H ASP A 5 7.710 11.612 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 5 7.731 13.821 -1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.688 15.480 -2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.051 15.038 -3.191 1.00 0.00 H new ATOM 73 N PRO A 6 5.129 11.837 -1.751 1.00 0.00 N ATOM 74 CA PRO A 6 5.041 11.310 -3.138 1.00 0.00 C ATOM 75 C PRO A 6 3.696 11.619 -3.868 1.00 0.00 C ATOM 76 O PRO A 6 2.627 11.462 -3.255 1.00 0.00 O ATOM 77 CB PRO A 6 5.254 9.798 -2.877 1.00 0.00 C ATOM 78 CG PRO A 6 4.582 9.507 -1.484 1.00 0.00 C ATOM 79 CD PRO A 6 4.473 10.882 -0.807 1.00 0.00 C ATOM 0 HA PRO A 6 5.757 11.766 -3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.799 9.197 -3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.315 9.549 -2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.601 9.047 -1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.184 8.820 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.432 11.154 -0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.970 10.884 0.163 1.00 0.00 H new ATOM 87 N ASN A 7 3.733 12.000 -5.160 1.00 0.00 N ATOM 88 CA ASN A 7 2.489 12.275 -5.953 1.00 0.00 C ATOM 89 C ASN A 7 1.697 10.960 -6.301 1.00 0.00 C ATOM 90 O ASN A 7 0.718 10.702 -5.582 1.00 0.00 O ATOM 91 CB ASN A 7 2.816 13.146 -7.241 1.00 0.00 C ATOM 92 CG ASN A 7 2.996 14.620 -7.015 1.00 0.00 C ATOM 93 OD1 ASN A 7 2.039 15.358 -6.896 1.00 0.00 O ATOM 94 ND2 ASN A 7 4.172 15.132 -7.098 1.00 0.00 N ATOM 0 H ASN A 7 4.598 12.127 -5.686 1.00 0.00 H new ATOM 0 HA ASN A 7 1.823 12.864 -5.323 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.726 12.755 -7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.012 13.006 -7.963 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.291 16.144 -7.064 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.986 14.526 -7.198 1.00 0.00 H new ATOM 101 N LEU A 8 2.091 10.162 -7.307 1.00 0.00 N ATOM 102 CA LEU A 8 1.596 8.770 -7.486 1.00 0.00 C ATOM 103 C LEU A 8 2.773 7.942 -8.062 1.00 0.00 C ATOM 104 O LEU A 8 3.162 8.176 -9.201 1.00 0.00 O ATOM 105 CB LEU A 8 0.298 8.655 -8.328 1.00 0.00 C ATOM 106 CG LEU A 8 -1.056 9.131 -7.784 1.00 0.00 C ATOM 107 CD1 LEU A 8 -2.148 8.828 -8.821 1.00 0.00 C ATOM 108 CD2 LEU A 8 -1.493 8.443 -6.496 1.00 0.00 C ATOM 0 H LEU A 8 2.759 10.454 -8.021 1.00 0.00 H new ATOM 0 HA LEU A 8 1.285 8.372 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.474 9.197 -9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.182 7.603 -8.589 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.928 10.194 -7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.113 9.163 -8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.922 9.350 -9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.185 7.755 -9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.459 8.839 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.579 7.370 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.754 8.628 -5.716 1.00 0.00 H new ATOM 120 N GLU A 9 3.380 7.066 -7.255 1.00 0.00 N ATOM 121 CA GLU A 9 4.759 6.520 -7.493 1.00 0.00 C ATOM 122 C GLU A 9 4.796 5.028 -8.030 1.00 0.00 C ATOM 123 O GLU A 9 3.835 4.317 -7.729 1.00 0.00 O ATOM 124 CB GLU A 9 5.372 6.698 -6.095 1.00 0.00 C ATOM 125 CG GLU A 9 6.887 6.386 -6.016 1.00 0.00 C ATOM 126 CD GLU A 9 7.546 6.610 -4.642 1.00 0.00 C ATOM 127 OE1 GLU A 9 7.206 7.585 -3.954 1.00 0.00 O ATOM 128 OE2 GLU A 9 8.340 5.746 -4.271 1.00 0.00 O ATOM 0 H GLU A 9 2.943 6.702 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 9 5.302 7.025 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.207 7.725 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.843 6.051 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.040 5.347 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.405 7.002 -6.751 1.00 0.00 H new ATOM 135 N PRO A 10 5.841 4.523 -8.771 1.00 0.00 N ATOM 136 CA PRO A 10 5.907 3.100 -9.223 1.00 0.00 C ATOM 137 C PRO A 10 5.537 1.923 -8.242 1.00 0.00 C ATOM 138 O PRO A 10 4.969 0.924 -8.619 1.00 0.00 O ATOM 139 CB PRO A 10 7.336 3.064 -9.832 1.00 0.00 C ATOM 140 CG PRO A 10 7.512 4.441 -10.427 1.00 0.00 C ATOM 141 CD PRO A 10 6.893 5.359 -9.380 1.00 0.00 C ATOM 0 HA PRO A 10 5.088 2.867 -9.904 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.089 2.858 -9.072 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.428 2.286 -10.590 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.563 4.675 -10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.007 4.531 -11.389 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.628 5.680 -8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.479 6.261 -9.831 1.00 0.00 H new ATOM 149 N TRP A 11 5.884 2.059 -6.959 1.00 0.00 N ATOM 150 CA TRP A 11 5.056 1.528 -5.856 1.00 0.00 C ATOM 151 C TRP A 11 5.198 2.457 -4.559 1.00 0.00 C ATOM 152 O TRP A 11 6.241 2.465 -3.929 1.00 0.00 O ATOM 153 CB TRP A 11 5.418 0.061 -5.494 1.00 0.00 C ATOM 154 CG TRP A 11 4.423 -0.634 -4.559 1.00 0.00 C ATOM 155 CD1 TRP A 11 3.277 -1.351 -4.963 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.326 -0.508 -3.189 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.461 -1.686 -3.865 1.00 0.00 N ATOM 158 CE2 TRP A 11 3.133 -1.151 -2.777 1.00 0.00 C ATOM 159 CE3 TRP A 11 5.163 0.137 -2.242 1.00 0.00 C ATOM 160 CZ2 TRP A 11 2.773 -1.162 -1.411 1.00 0.00 C ATOM 161 CZ3 TRP A 11 4.790 0.107 -0.899 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.613 -0.535 -0.488 1.00 0.00 C ATOM 0 H TRP A 11 6.733 2.532 -6.651 1.00 0.00 H new ATOM 0 HA TRP A 11 4.023 1.534 -6.203 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.495 -0.517 -6.415 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.403 0.049 -5.027 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.053 -1.611 -5.987 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.581 -2.202 -3.869 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.067 0.639 -2.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.864 -1.647 -1.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.418 0.586 -0.163 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.352 -0.545 0.560 1.00 0.00 H new ATOM 173 N ASN A 12 4.117 3.095 -4.077 1.00 0.00 N ATOM 174 CA ASN A 12 4.061 3.672 -2.716 1.00 0.00 C ATOM 175 C ASN A 12 2.596 3.903 -2.250 1.00 0.00 C ATOM 176 O ASN A 12 1.927 4.887 -2.614 1.00 0.00 O ATOM 177 CB ASN A 12 4.893 5.009 -2.651 1.00 0.00 C ATOM 178 CG ASN A 12 5.627 5.323 -1.345 1.00 0.00 C ATOM 179 OD1 ASN A 12 5.472 4.646 -0.331 1.00 0.00 O ATOM 180 ND2 ASN A 12 6.435 6.317 -1.416 1.00 0.00 N ATOM 0 H ASN A 12 3.260 3.226 -4.614 1.00 0.00 H new ATOM 0 HA ASN A 12 4.507 2.953 -2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.630 4.986 -3.454 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.216 5.837 -2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.991 6.582 -0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.522 6.843 -2.286 1.00 0.00 H new ATOM 187 N HIS A 13 2.026 2.967 -1.437 1.00 0.00 N ATOM 188 CA HIS A 13 0.700 3.156 -0.864 1.00 0.00 C ATOM 189 C HIS A 13 0.747 3.321 0.747 1.00 0.00 C ATOM 190 O HIS A 13 0.876 2.302 1.444 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 2.475 2.089 -1.178 1.00 0.00 H new ATOM 0 HA HIS A 13 0.269 4.093 -1.217 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.166 1.885 -2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.178 1.022 -0.950 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 0 HE2 HIS A 13 -4.418 3.754 -0.789 1.00 0.00 H new ATOM 205 N PRO A 14 0.563 4.527 1.366 1.00 0.00 N ATOM 206 CA PRO A 14 0.408 4.684 2.832 1.00 0.00 C ATOM 207 C PRO A 14 -0.714 3.917 3.586 1.00 0.00 C ATOM 208 O PRO A 14 -0.494 3.389 4.683 1.00 0.00 O ATOM 209 CB PRO A 14 0.251 6.228 3.002 1.00 0.00 C ATOM 210 CG PRO A 14 0.948 6.836 1.799 1.00 0.00 C ATOM 211 CD PRO A 14 0.694 5.826 0.657 1.00 0.00 C ATOM 0 HA PRO A 14 1.271 4.216 3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.800 6.515 3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.704 6.569 3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.541 7.818 1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.014 6.969 1.982 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.209 6.071 0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.517 5.812 -0.057 1.00 0.00 H new ATOM 219 N GLY A 15 -1.959 3.936 3.154 1.00 0.00 N ATOM 220 CA GLY A 15 -3.066 3.459 3.998 1.00 0.00 C ATOM 221 C GLY A 15 -4.356 2.942 3.228 1.00 0.00 C ATOM 222 O GLY A 15 -4.316 2.067 2.357 1.00 0.00 O ATOM 0 H GLY A 15 -2.241 4.271 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.694 2.650 4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.365 4.269 4.663 1.00 0.00 H new ATOM 226 N SER A 16 -5.527 3.525 3.558 1.00 0.00 N ATOM 227 CA SER A 16 -6.692 3.630 2.657 1.00 0.00 C ATOM 228 C SER A 16 -7.652 4.763 3.103 1.00 0.00 C ATOM 229 O SER A 16 -7.464 5.935 2.772 1.00 0.00 O ATOM 230 CB SER A 16 -7.411 2.311 2.099 1.00 0.00 C ATOM 231 OG SER A 16 -8.067 1.548 3.120 1.00 0.00 O ATOM 0 H SER A 16 -5.692 3.943 4.474 1.00 0.00 H new ATOM 0 HA SER A 16 -6.215 3.909 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.142 2.596 1.342 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.670 1.683 1.605 1.00 0.00 H new ATOM 0 HG SER A 16 -7.465 0.843 3.439 1.00 0.00 H new ATOM 237 N GLN A 17 -8.769 4.395 3.729 1.00 0.00 N ATOM 238 CA GLN A 17 -10.003 5.225 3.655 1.00 0.00 C ATOM 239 C GLN A 17 -10.427 5.760 5.099 1.00 0.00 C ATOM 240 O GLN A 17 -10.119 5.081 6.113 1.00 0.00 O ATOM 241 CB GLN A 17 -11.058 4.367 2.910 1.00 0.00 C ATOM 242 CG GLN A 17 -10.843 4.381 1.371 1.00 0.00 C ATOM 243 CD GLN A 17 -11.396 5.585 0.639 1.00 0.00 C ATOM 244 OE1 GLN A 17 -12.388 6.151 1.053 1.00 0.00 O ATOM 245 NE2 GLN A 17 -10.737 6.099 -0.375 1.00 0.00 N ATOM 0 H GLN A 17 -8.860 3.546 4.287 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.864 6.148 3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.011 3.340 3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.056 4.741 3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.773 4.318 1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.298 3.484 0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.903 5.632 -0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.060 6.965 -0.807 1.00 0.00 H new ATOM 254 N PRO A 18 -11.146 6.943 5.298 1.00 0.00 N ATOM 255 CA PRO A 18 -11.927 7.645 4.229 1.00 0.00 C ATOM 256 C PRO A 18 -11.231 8.764 3.402 1.00 0.00 C ATOM 257 O PRO A 18 -10.967 9.828 3.950 1.00 0.00 O ATOM 258 CB PRO A 18 -13.191 8.137 5.015 1.00 0.00 C ATOM 259 CG PRO A 18 -12.616 8.439 6.444 1.00 0.00 C ATOM 260 CD PRO A 18 -11.521 7.412 6.653 1.00 0.00 C ATOM 0 HA PRO A 18 -12.123 6.962 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.630 9.025 4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.970 7.376 5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.222 9.453 6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.390 8.352 7.207 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.665 7.851 7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.873 6.585 7.270 1.00 0.00 H new ATOM 268 N ARG A 19 -10.860 8.430 2.163 1.00 0.00 N ATOM 269 CA ARG A 19 -10.057 9.374 1.262 1.00 0.00 C ATOM 270 C ARG A 19 -8.849 10.180 1.846 1.00 0.00 C ATOM 271 O ARG A 19 -8.760 11.372 1.600 1.00 0.00 O ATOM 272 CB ARG A 19 -11.135 10.105 0.418 1.00 0.00 C ATOM 273 CG ARG A 19 -10.852 10.260 -1.074 1.00 0.00 C ATOM 274 CD ARG A 19 -12.037 10.892 -1.890 1.00 0.00 C ATOM 275 NE ARG A 19 -11.637 10.766 -3.314 1.00 0.00 N ATOM 276 CZ ARG A 19 -12.432 10.992 -4.355 1.00 0.00 C ATOM 277 NH1 ARG A 19 -13.496 11.744 -4.292 1.00 0.00 N ATOM 278 NH2 ARG A 19 -12.151 10.448 -5.500 1.00 0.00 N ATOM 0 H ARG A 19 -11.082 7.533 1.731 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.375 8.810 0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.077 9.568 0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.282 11.099 0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.965 10.881 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.619 9.281 -1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.973 10.368 -1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.193 11.935 -1.615 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.676 10.484 -3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.752 12.192 -3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.072 11.884 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.327 9.854 -5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.754 10.615 -6.306 1.00 0.00 H new ATOM 292 N THR A 20 -8.002 9.579 2.653 1.00 0.00 N ATOM 293 CA THR A 20 -7.175 10.280 3.685 1.00 0.00 C ATOM 294 C THR A 20 -5.753 10.732 3.210 1.00 0.00 C ATOM 295 O THR A 20 -5.420 11.885 3.479 1.00 0.00 O ATOM 296 CB THR A 20 -7.291 9.365 4.958 1.00 0.00 C ATOM 297 OG1 THR A 20 -8.604 9.125 5.390 1.00 0.00 O ATOM 298 CG2 THR A 20 -6.593 9.911 6.245 1.00 0.00 C ATOM 0 H THR A 20 -7.846 8.571 2.632 1.00 0.00 H new ATOM 0 HA THR A 20 -7.544 11.277 3.925 1.00 0.00 H new ATOM 0 HB THR A 20 -6.801 8.468 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.234 9.571 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.733 9.204 7.063 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.527 10.039 6.055 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.031 10.872 6.517 1.00 0.00 H new ATOM 306 N PRO A 21 -4.812 9.954 2.572 1.00 0.00 N ATOM 307 CA PRO A 21 -4.857 8.463 2.509 1.00 0.00 C ATOM 308 C PRO A 21 -4.386 7.693 3.788 1.00 0.00 C ATOM 309 O PRO A 21 -4.878 6.600 4.095 1.00 0.00 O ATOM 310 CB PRO A 21 -3.891 8.203 1.309 1.00 0.00 C ATOM 311 CG PRO A 21 -2.909 9.363 1.279 1.00 0.00 C ATOM 312 CD PRO A 21 -3.721 10.571 1.737 1.00 0.00 C ATOM 0 HA PRO A 21 -5.879 8.097 2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.367 7.255 1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.445 8.141 0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.062 9.182 1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.505 9.514 0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.115 11.267 2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.126 11.128 0.892 1.00 0.00 H new ATOM 320 N CYS A 22 -3.418 8.239 4.554 1.00 0.00 N ATOM 321 CA CYS A 22 -2.550 7.500 5.510 1.00 0.00 C ATOM 322 C CYS A 22 -3.135 6.837 6.762 1.00 0.00 C ATOM 323 O CYS A 22 -2.656 5.817 7.211 1.00 0.00 O ATOM 324 CB CYS A 22 -1.460 8.556 5.774 1.00 0.00 C ATOM 325 SG CYS A 22 -0.097 7.867 6.847 1.00 0.00 S ATOM 0 H CYS A 22 -3.208 9.237 4.527 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.225 6.555 5.074 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.043 8.897 4.826 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.903 9.426 6.258 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.521 6.799 7.455 1.00 0.00 H new ATOM 331 N ASN A 23 -4.147 7.426 7.412 1.00 0.00 N ATOM 332 CA ASN A 23 -4.751 6.967 8.719 1.00 0.00 C ATOM 333 C ASN A 23 -3.662 7.049 9.912 1.00 0.00 C ATOM 334 O ASN A 23 -2.498 7.414 9.739 1.00 0.00 O ATOM 335 CB ASN A 23 -5.501 5.613 8.550 1.00 0.00 C ATOM 336 CG ASN A 23 -6.820 5.640 7.765 1.00 0.00 C ATOM 337 OD1 ASN A 23 -7.910 5.613 8.298 1.00 0.00 O ATOM 338 ND2 ASN A 23 -6.758 5.612 6.456 1.00 0.00 N ATOM 0 H ASN A 23 -4.600 8.265 7.050 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.538 7.653 9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.828 4.912 8.057 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.706 5.213 9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.616 5.568 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.852 5.634 5.988 1.00 0.00 H new ATOM 345 N LYS A 24 -4.076 6.675 11.149 1.00 0.00 N ATOM 346 CA LYS A 24 -3.069 6.179 12.171 1.00 0.00 C ATOM 347 C LYS A 24 -2.645 4.637 12.088 1.00 0.00 C ATOM 348 O LYS A 24 -2.229 4.040 13.101 1.00 0.00 O ATOM 349 CB LYS A 24 -3.601 6.643 13.570 1.00 0.00 C ATOM 350 CG LYS A 24 -2.568 6.884 14.705 1.00 0.00 C ATOM 351 CD LYS A 24 -3.180 7.646 15.909 1.00 0.00 C ATOM 352 CE LYS A 24 -2.186 7.754 17.097 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.862 8.507 18.216 1.00 0.00 N ATOM 0 H LYS A 24 -5.044 6.697 11.470 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.099 6.626 11.951 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.158 7.569 13.424 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.312 5.895 13.920 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.177 5.926 15.046 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.724 7.451 14.311 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.476 8.646 15.592 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.085 7.135 16.239 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.888 6.761 17.434 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.278 8.271 16.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.210 8.590 19.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.126 9.457 17.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.717 7.994 18.513 1.00 0.00 H new ATOM 367 N CYS A 25 -2.765 3.978 10.918 1.00 0.00 N ATOM 368 CA CYS A 25 -2.473 2.506 10.687 1.00 0.00 C ATOM 369 C CYS A 25 -2.315 2.256 9.120 1.00 0.00 C ATOM 370 O CYS A 25 -3.001 2.860 8.282 1.00 0.00 O ATOM 371 CB CYS A 25 -3.669 1.684 11.277 1.00 0.00 C ATOM 372 SG CYS A 25 -3.399 -0.083 10.962 1.00 0.00 S ATOM 0 H CYS A 25 -3.076 4.449 10.068 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.550 2.196 11.176 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.755 1.865 12.348 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.606 2.007 10.823 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.330 -0.290 9.680 1.00 0.00 H new ATOM 378 N TYR A 26 -1.517 1.217 8.729 1.00 0.00 N ATOM 379 CA TYR A 26 -1.365 0.811 7.296 1.00 0.00 C ATOM 380 C TYR A 26 -2.610 -0.041 6.781 1.00 0.00 C ATOM 381 O TYR A 26 -3.183 -0.824 7.558 1.00 0.00 O ATOM 382 CB TYR A 26 -0.077 -0.072 7.256 1.00 0.00 C ATOM 383 CG TYR A 26 1.286 0.654 7.312 1.00 0.00 C ATOM 384 CD1 TYR A 26 1.930 1.038 6.138 1.00 0.00 C ATOM 385 CD2 TYR A 26 1.954 0.776 8.548 1.00 0.00 C ATOM 386 CE1 TYR A 26 3.243 1.504 6.179 1.00 0.00 C ATOM 387 CE2 TYR A 26 3.228 1.274 8.583 1.00 0.00 C ATOM 388 CZ TYR A 26 3.873 1.647 7.391 1.00 0.00 C ATOM 389 OH TYR A 26 5.184 2.072 7.449 1.00 0.00 O ATOM 0 H TYR A 26 -0.974 0.650 9.380 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.304 1.688 6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.121 -0.770 8.092 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.105 -0.666 6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.410 0.974 5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.463 0.478 9.462 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.761 1.751 5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.739 1.381 9.528 1.00 0.00 H new ATOM 0 HH TYR A 26 5.390 2.606 6.654 1.00 0.00 H new ATOM 399 N CYS A 27 -3.033 0.137 5.506 1.00 0.00 N ATOM 400 CA CYS A 27 -4.201 -0.526 4.903 1.00 0.00 C ATOM 401 C CYS A 27 -5.602 -0.019 5.402 1.00 0.00 C ATOM 402 O CYS A 27 -6.351 0.677 4.713 1.00 0.00 O ATOM 403 CB CYS A 27 -4.134 -2.107 4.850 1.00 0.00 C ATOM 404 SG CYS A 27 -5.183 -2.589 3.448 1.00 0.00 S ATOM 0 H CYS A 27 -2.555 0.763 4.857 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.118 -0.190 3.869 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.110 -2.452 4.711 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.495 -2.547 5.780 1.00 0.00 H new ATOM 0 HG CYS A 27 -6.080 -1.671 3.241 1.00 0.00 H new ATOM 410 N LYS A 28 -5.955 -0.372 6.647 1.00 0.00 N ATOM 411 CA LYS A 28 -7.111 0.145 7.422 1.00 0.00 C ATOM 412 C LYS A 28 -8.494 0.340 6.664 1.00 0.00 C ATOM 413 O LYS A 28 -8.769 1.431 6.138 1.00 0.00 O ATOM 414 CB LYS A 28 -6.667 1.380 8.264 1.00 0.00 C ATOM 415 CG LYS A 28 -7.270 1.538 9.692 1.00 0.00 C ATOM 416 CD LYS A 28 -8.808 1.698 9.866 1.00 0.00 C ATOM 417 CE LYS A 28 -9.398 3.086 9.545 1.00 0.00 C ATOM 418 NZ LYS A 28 -9.741 3.198 8.117 1.00 0.00 N ATOM 0 H LYS A 28 -5.419 -1.061 7.175 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.390 -0.674 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.582 1.348 8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.910 2.278 7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.966 0.667 10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.798 2.407 10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.301 0.963 9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.062 1.450 10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.288 3.255 10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.679 3.861 9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.776 4.201 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.020 2.710 7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.670 2.761 7.948 1.00 0.00 H new ATOM 432 N LYS A 29 -9.435 -0.619 6.719 1.00 0.00 N ATOM 433 CA LYS A 29 -10.819 -0.476 6.203 1.00 0.00 C ATOM 434 C LYS A 29 -11.702 0.596 6.943 1.00 0.00 C ATOM 435 O LYS A 29 -11.609 0.822 8.155 1.00 0.00 O ATOM 436 CB LYS A 29 -11.502 -1.888 6.291 1.00 0.00 C ATOM 437 CG LYS A 29 -12.910 -2.088 5.614 1.00 0.00 C ATOM 438 CD LYS A 29 -14.064 -1.868 6.591 1.00 0.00 C ATOM 439 CE LYS A 29 -15.386 -1.818 5.813 1.00 0.00 C ATOM 440 NZ LYS A 29 -16.520 -1.430 6.697 1.00 0.00 N ATOM 0 H LYS A 29 -9.257 -1.535 7.130 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.745 -0.108 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.818 -2.615 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.603 -2.142 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.009 -1.396 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.973 -3.096 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.092 -2.673 7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.917 -0.939 7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.301 -1.105 4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.586 -2.793 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.420 -1.647 6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.462 -1.961 7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.471 -0.411 6.897 1.00 0.00 H new ATOM 454 N CYS A 30 -12.561 1.298 6.170 1.00 0.00 N ATOM 455 CA CYS A 30 -13.641 2.168 6.751 1.00 0.00 C ATOM 456 C CYS A 30 -15.080 1.838 6.177 1.00 0.00 C ATOM 457 O CYS A 30 -15.896 1.348 6.957 1.00 0.00 O ATOM 458 CB CYS A 30 -13.222 3.647 6.766 1.00 0.00 C ATOM 459 SG CYS A 30 -14.648 4.687 7.257 1.00 0.00 S ATOM 0 H CYS A 30 -12.539 1.288 5.150 1.00 0.00 H new ATOM 0 HA CYS A 30 -13.759 1.918 7.805 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.396 3.794 7.462 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -12.865 3.944 5.780 1.00 0.00 H new ATOM 0 HG CYS A 30 -14.290 5.937 7.271 1.00 0.00 H new ATOM 465 N CYS A 31 -15.515 1.974 4.922 1.00 0.00 N ATOM 466 CA CYS A 31 -14.770 2.587 3.790 1.00 0.00 C ATOM 467 C CYS A 31 -14.019 1.542 2.874 1.00 0.00 C ATOM 468 O CYS A 31 -13.624 0.463 3.317 1.00 0.00 O ATOM 469 CB CYS A 31 -15.814 3.414 3.017 1.00 0.00 C ATOM 470 SG CYS A 31 -17.126 2.356 2.255 1.00 0.00 S ATOM 0 H CYS A 31 -16.440 1.648 4.641 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.955 3.209 4.162 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.277 4.133 3.693 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.314 3.987 2.236 1.00 0.00 H new ATOM 0 HG CYS A 31 -17.759 1.710 3.189 1.00 0.00 H new ATOM 476 N TYR A 32 -13.576 1.899 1.633 1.00 0.00 N ATOM 477 CA TYR A 32 -13.055 0.967 0.603 1.00 0.00 C ATOM 478 C TYR A 32 -11.631 0.399 0.844 1.00 0.00 C ATOM 479 O TYR A 32 -10.633 1.109 0.788 1.00 0.00 O ATOM 480 CB TYR A 32 -13.079 1.619 -0.810 1.00 0.00 C ATOM 481 CG TYR A 32 -12.675 0.725 -1.988 1.00 0.00 C ATOM 482 CD1 TYR A 32 -13.630 -0.097 -2.595 1.00 0.00 C ATOM 483 CD2 TYR A 32 -11.360 0.720 -2.461 1.00 0.00 C ATOM 484 CE1 TYR A 32 -13.272 -0.918 -3.660 1.00 0.00 C ATOM 485 CE2 TYR A 32 -11.004 -0.104 -3.526 1.00 0.00 C ATOM 486 CZ TYR A 32 -11.959 -0.921 -4.124 1.00 0.00 C ATOM 487 OH TYR A 32 -11.605 -1.730 -5.167 1.00 0.00 O ATOM 0 H TYR A 32 -13.574 2.870 1.319 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.739 0.121 0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -14.086 1.992 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -12.416 2.484 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -14.649 -0.095 -2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.619 1.356 -2.000 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -14.012 -1.552 -4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.986 -0.109 -3.888 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.602 -1.210 -5.998 1.00 0.00 H new ATOM 497 N HIS A 33 -11.517 -0.917 1.010 1.00 0.00 N ATOM 498 CA HIS A 33 -10.430 -1.651 0.330 1.00 0.00 C ATOM 499 C HIS A 33 -10.946 -3.180 0.168 1.00 0.00 C ATOM 500 O HIS A 33 -11.188 -3.852 1.200 1.00 0.00 O ATOM 501 CB HIS A 33 -9.089 -1.615 1.082 1.00 0.00 C ATOM 502 CG HIS A 33 -7.990 -2.296 0.320 1.00 0.00 C ATOM 503 ND1 HIS A 33 -7.704 -3.659 0.344 1.00 0.00 N ATOM 504 CD2 HIS A 33 -7.453 -1.684 -0.804 1.00 0.00 C ATOM 505 CE1 HIS A 33 -7.004 -3.767 -0.801 1.00 0.00 C ATOM 506 NE2 HIS A 33 -6.806 -2.642 -1.540 1.00 0.00 N ATOM 0 H HIS A 33 -12.135 -1.488 1.586 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.225 -1.174 -0.628 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.809 -0.579 1.271 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.207 -2.096 2.053 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.953 -4.370 1.031 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.531 -0.636 -1.055 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.611 -4.720 -1.124 1.00 0.00 H new ATOM 515 N CYS A 34 -11.146 -3.659 -1.115 1.00 0.00 N ATOM 516 CA CYS A 34 -11.389 -5.098 -1.347 1.00 0.00 C ATOM 517 C CYS A 34 -10.156 -5.985 -1.034 1.00 0.00 C ATOM 518 O CYS A 34 -9.117 -5.900 -1.697 1.00 0.00 O ATOM 519 CB CYS A 34 -11.841 -5.310 -2.776 1.00 0.00 C ATOM 520 SG CYS A 34 -12.671 -6.962 -2.843 1.00 0.00 S ATOM 0 H CYS A 34 -11.141 -3.082 -1.956 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.171 -5.408 -0.654 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.527 -4.521 -3.084 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.991 -5.278 -3.458 1.00 0.00 H new ATOM 0 HG CYS A 34 -13.082 -7.192 -4.055 1.00 0.00 H new ATOM 526 N GLN A 35 -10.319 -6.917 -0.085 1.00 0.00 N ATOM 527 CA GLN A 35 -9.491 -8.153 -0.040 1.00 0.00 C ATOM 528 C GLN A 35 -7.970 -8.037 0.303 1.00 0.00 C ATOM 529 O GLN A 35 -7.638 -7.953 1.507 1.00 0.00 O ATOM 530 CB GLN A 35 -9.951 -9.198 -1.128 1.00 0.00 C ATOM 531 CG GLN A 35 -9.639 -10.705 -0.881 1.00 0.00 C ATOM 532 CD GLN A 35 -10.389 -11.337 0.317 1.00 0.00 C ATOM 533 OE1 GLN A 35 -9.949 -11.308 1.472 1.00 0.00 O ATOM 534 NE2 GLN A 35 -11.569 -11.837 0.116 1.00 0.00 N ATOM 0 H GLN A 35 -11.010 -6.849 0.662 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.730 -8.616 0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.029 -9.097 -1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.494 -8.915 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.887 -11.265 -1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.567 -10.818 -0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.954 -11.872 -0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.112 -12.195 0.902 1.00 0.00 H new ATOM 543 N MET A 36 -7.165 -7.915 -0.758 1.00 0.00 N ATOM 544 CA MET A 36 -5.686 -7.989 -0.708 1.00 0.00 C ATOM 545 C MET A 36 -4.939 -6.905 0.227 1.00 0.00 C ATOM 546 O MET A 36 -4.777 -5.764 -0.185 1.00 0.00 O ATOM 547 CB MET A 36 -5.237 -9.479 -0.593 1.00 0.00 C ATOM 548 CG MET A 36 -5.393 -10.382 -1.858 1.00 0.00 C ATOM 549 SD MET A 36 -4.681 -12.031 -1.564 1.00 0.00 S ATOM 550 CE MET A 36 -4.816 -12.785 -3.184 1.00 0.00 C ATOM 0 H MET A 36 -7.524 -7.758 -1.700 1.00 0.00 H new ATOM 0 HA MET A 36 -5.304 -7.629 -1.663 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.188 -9.492 -0.299 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.801 -9.938 0.219 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.448 -10.477 -2.115 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.898 -9.913 -2.709 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.416 -13.798 -3.148 1.00 0.00 H new ATOM 0 HE2 MET A 36 -5.863 -12.818 -3.484 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.250 -12.197 -3.907 1.00 0.00 H new ATOM 560 N CYS A 37 -4.551 -7.243 1.511 1.00 0.00 N ATOM 561 CA CYS A 37 -4.084 -6.254 2.511 1.00 0.00 C ATOM 562 C CYS A 37 -2.669 -5.604 2.312 1.00 0.00 C ATOM 563 O CYS A 37 -2.608 -4.433 1.939 1.00 0.00 O ATOM 564 CB CYS A 37 -4.329 -6.996 3.833 1.00 0.00 C ATOM 565 SG CYS A 37 -4.166 -5.753 5.173 1.00 0.00 S ATOM 0 H CYS A 37 -4.560 -8.202 1.860 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.629 -5.313 2.435 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.320 -7.450 3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.608 -7.803 3.964 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.667 -4.621 4.778 1.00 0.00 H new ATOM 571 N PHE A 38 -1.549 -6.332 2.479 1.00 0.00 N ATOM 572 CA PHE A 38 -0.184 -5.852 2.052 1.00 0.00 C ATOM 573 C PHE A 38 0.797 -7.058 1.942 1.00 0.00 C ATOM 574 O PHE A 38 1.584 -7.317 2.859 1.00 0.00 O ATOM 575 CB PHE A 38 0.446 -4.774 2.985 1.00 0.00 C ATOM 576 CG PHE A 38 0.107 -3.310 2.665 1.00 0.00 C ATOM 577 CD1 PHE A 38 0.151 -2.852 1.346 1.00 0.00 C ATOM 578 CD2 PHE A 38 -0.044 -2.391 3.709 1.00 0.00 C ATOM 579 CE1 PHE A 38 0.037 -1.491 1.075 1.00 0.00 C ATOM 580 CE2 PHE A 38 -0.170 -1.033 3.437 1.00 0.00 C ATOM 581 CZ PHE A 38 -0.127 -0.583 2.120 1.00 0.00 C ATOM 0 H PHE A 38 -1.543 -7.259 2.905 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.338 -5.374 1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.131 -4.982 4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.530 -4.888 2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.274 -3.555 0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.063 -2.738 4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.076 -1.139 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.301 -0.329 4.245 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.221 0.472 1.908 1.00 0.00 H new ATOM 591 N ILE A 39 0.732 -7.797 0.845 1.00 0.00 N ATOM 592 CA ILE A 39 1.792 -8.864 0.527 1.00 0.00 C ATOM 593 C ILE A 39 3.099 -8.250 -0.105 1.00 0.00 C ATOM 594 O ILE A 39 3.082 -7.677 -1.191 1.00 0.00 O ATOM 595 CB ILE A 39 1.107 -10.040 -0.268 1.00 0.00 C ATOM 596 CG1 ILE A 39 0.055 -9.744 -1.383 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.524 -11.103 0.740 1.00 0.00 C ATOM 598 CD1 ILE A 39 0.563 -8.775 -2.467 1.00 0.00 C ATOM 0 H ILE A 39 -0.007 -7.716 0.147 1.00 0.00 H new ATOM 0 HA ILE A 39 2.179 -9.307 1.444 1.00 0.00 H new ATOM 0 HB ILE A 39 1.947 -10.401 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.237 -10.683 -1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.841 -9.326 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.052 -11.912 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.332 -11.506 1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.215 -10.627 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.220 -8.615 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.828 -7.822 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.441 -9.200 -2.953 1.00 0.00 H new ATOM 610 N THR A 40 4.283 -8.361 0.518 1.00 0.00 N ATOM 611 CA THR A 40 5.451 -7.431 0.286 1.00 0.00 C ATOM 612 C THR A 40 6.370 -7.841 -0.880 1.00 0.00 C ATOM 613 O THR A 40 7.438 -8.384 -0.624 1.00 0.00 O ATOM 614 CB THR A 40 6.257 -7.168 1.604 1.00 0.00 C ATOM 615 OG1 THR A 40 6.849 -8.371 2.085 1.00 0.00 O ATOM 616 CG2 THR A 40 5.501 -6.675 2.812 1.00 0.00 C ATOM 0 H THR A 40 4.480 -9.092 1.202 1.00 0.00 H new ATOM 0 HA THR A 40 5.004 -6.488 -0.028 1.00 0.00 H new ATOM 0 HB THR A 40 6.939 -6.388 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.266 -8.851 1.339 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.192 -6.540 3.644 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.023 -5.723 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.740 -7.405 3.088 1.00 0.00 H new ATOM 624 N LYS A 41 5.972 -7.602 -2.141 1.00 0.00 N ATOM 625 CA LYS A 41 6.767 -7.961 -3.384 1.00 0.00 C ATOM 626 C LYS A 41 7.432 -6.661 -3.979 1.00 0.00 C ATOM 627 O LYS A 41 6.889 -5.893 -4.791 1.00 0.00 O ATOM 628 CB LYS A 41 5.871 -8.822 -4.381 1.00 0.00 C ATOM 629 CG LYS A 41 4.332 -8.543 -4.500 1.00 0.00 C ATOM 630 CD LYS A 41 3.935 -7.167 -5.113 1.00 0.00 C ATOM 631 CE LYS A 41 2.525 -6.697 -4.790 1.00 0.00 C ATOM 632 NZ LYS A 41 2.294 -5.403 -5.486 1.00 0.00 N ATOM 0 H LYS A 41 5.083 -7.150 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 41 7.605 -8.618 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.298 -8.710 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.989 -9.868 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.885 -9.331 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.891 -8.617 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.641 -6.414 -4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.042 -7.225 -6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.794 -7.438 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.402 -6.577 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.493 -4.909 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.148 -4.813 -5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.079 -5.581 -6.488 1.00 0.00 H new ATOM 646 N GLY A 42 8.679 -6.353 -3.512 1.00 0.00 N ATOM 647 CA GLY A 42 9.397 -5.111 -3.861 1.00 0.00 C ATOM 648 C GLY A 42 9.975 -4.353 -2.601 1.00 0.00 C ATOM 649 O GLY A 42 9.229 -3.567 -2.051 1.00 0.00 O ATOM 0 H GLY A 42 9.204 -6.964 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.215 -5.350 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.721 -4.446 -4.398 1.00 0.00 H new ATOM 653 N LEU A 43 11.242 -4.597 -2.182 1.00 0.00 N ATOM 654 CA LEU A 43 11.726 -4.062 -0.877 1.00 0.00 C ATOM 655 C LEU A 43 12.423 -2.631 -1.003 1.00 0.00 C ATOM 656 O LEU A 43 13.626 -2.502 -0.815 1.00 0.00 O ATOM 657 CB LEU A 43 12.555 -5.231 -0.226 1.00 0.00 C ATOM 658 CG LEU A 43 11.872 -6.588 0.202 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.914 -7.580 0.772 1.00 0.00 C ATOM 660 CD2 LEU A 43 10.695 -6.434 1.209 1.00 0.00 C ATOM 0 H LEU A 43 11.929 -5.141 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 43 10.918 -3.802 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.350 -5.484 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.033 -4.823 0.664 1.00 0.00 H new ATOM 0 HG LEU A 43 11.439 -6.981 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.416 -8.506 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.667 -7.793 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.394 -7.141 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.288 -7.417 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.057 -5.962 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.915 -5.815 0.765 1.00 0.00 H new ATOM 672 N GLY A 44 11.691 -1.548 -1.333 1.00 0.00 N ATOM 673 CA GLY A 44 12.266 -0.172 -1.474 1.00 0.00 C ATOM 674 C GLY A 44 12.479 0.604 -0.171 1.00 0.00 C ATOM 675 O GLY A 44 13.644 0.794 0.289 1.00 0.00 O ATOM 0 H GLY A 44 10.688 -1.590 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.224 -0.251 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.607 0.411 -2.117 1.00 0.00 H new ATOM 679 N ILE A 45 11.439 1.151 0.441 1.00 0.00 N ATOM 680 CA ILE A 45 11.447 1.566 1.874 1.00 0.00 C ATOM 681 C ILE A 45 10.103 1.051 2.484 1.00 0.00 C ATOM 682 O ILE A 45 10.074 0.141 3.313 1.00 0.00 O ATOM 683 CB ILE A 45 11.821 3.067 2.167 1.00 0.00 C ATOM 684 CG1 ILE A 45 13.276 3.379 1.660 1.00 0.00 C ATOM 685 CG2 ILE A 45 11.626 3.527 3.642 1.00 0.00 C ATOM 686 CD1 ILE A 45 13.989 4.693 2.067 1.00 0.00 C ATOM 0 H ILE A 45 10.551 1.329 -0.028 1.00 0.00 H new ATOM 0 HA ILE A 45 12.288 1.102 2.389 1.00 0.00 H new ATOM 0 HB ILE A 45 11.098 3.657 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.912 2.555 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.249 3.352 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.912 4.575 3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.580 3.409 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.250 2.920 4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.982 4.723 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.407 5.546 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 45 14.081 4.736 3.152 1.00 0.00 H new ATOM 698 N SER A 46 8.978 1.624 2.070 1.00 0.00 N ATOM 699 CA SER A 46 7.627 1.306 2.586 1.00 0.00 C ATOM 700 C SER A 46 7.155 -0.208 2.641 1.00 0.00 C ATOM 701 O SER A 46 6.734 -0.707 3.663 1.00 0.00 O ATOM 702 CB SER A 46 6.695 2.344 1.930 1.00 0.00 C ATOM 703 OG SER A 46 6.733 2.310 0.520 1.00 0.00 O ATOM 0 H SER A 46 8.967 2.343 1.347 1.00 0.00 H new ATOM 0 HA SER A 46 7.612 1.403 3.672 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.673 2.168 2.264 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.974 3.341 2.271 1.00 0.00 H new ATOM 0 HG SER A 46 6.299 3.112 0.162 1.00 0.00 H new ATOM 709 N TYR A 47 7.304 -0.987 1.578 1.00 0.00 N ATOM 710 CA TYR A 47 7.380 -2.510 1.634 1.00 0.00 C ATOM 711 C TYR A 47 8.853 -2.914 2.095 1.00 0.00 C ATOM 712 O TYR A 47 9.840 -2.542 1.440 1.00 0.00 O ATOM 713 CB TYR A 47 7.127 -3.135 0.230 1.00 0.00 C ATOM 714 CG TYR A 47 5.678 -3.503 -0.109 1.00 0.00 C ATOM 715 CD1 TYR A 47 4.675 -3.419 0.862 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.389 -4.073 -1.352 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.396 -3.896 0.587 1.00 0.00 C ATOM 718 CE2 TYR A 47 4.110 -4.549 -1.624 1.00 0.00 C ATOM 719 CZ TYR A 47 3.114 -4.460 -0.655 1.00 0.00 C ATOM 720 OH TYR A 47 1.857 -4.924 -0.921 1.00 0.00 O ATOM 0 H TYR A 47 7.380 -0.616 0.631 1.00 0.00 H new ATOM 0 HA TYR A 47 6.622 -2.876 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.485 -2.434 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.736 -4.035 0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.893 -2.984 1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.161 -4.144 -2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.622 -3.829 1.337 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.890 -4.987 -2.586 1.00 0.00 H new ATOM 0 HH TYR A 47 1.889 -5.893 -1.061 1.00 0.00 H new ATOM 730 N GLY A 48 9.072 -3.591 3.251 1.00 0.00 N ATOM 731 CA GLY A 48 10.404 -3.632 3.940 1.00 0.00 C ATOM 732 C GLY A 48 10.547 -4.474 5.245 1.00 0.00 C ATOM 733 O GLY A 48 9.950 -4.156 6.282 1.00 0.00 O ATOM 0 H GLY A 48 8.345 -4.120 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.135 -4.006 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.686 -2.606 4.176 1.00 0.00 H new ATOM 737 N ARG A 49 11.419 -5.505 5.218 1.00 0.00 N ATOM 738 CA ARG A 49 11.766 -6.351 6.412 1.00 0.00 C ATOM 739 C ARG A 49 12.543 -5.583 7.529 1.00 0.00 C ATOM 740 O ARG A 49 11.997 -5.380 8.616 1.00 0.00 O ATOM 741 CB ARG A 49 12.428 -7.678 5.976 1.00 0.00 C ATOM 742 CG ARG A 49 12.565 -8.800 7.038 1.00 0.00 C ATOM 743 CD ARG A 49 13.111 -10.148 6.432 1.00 0.00 C ATOM 744 NE ARG A 49 13.152 -11.172 7.534 1.00 0.00 N ATOM 745 CZ ARG A 49 13.656 -12.417 7.431 1.00 0.00 C ATOM 746 NH1 ARG A 49 14.221 -12.904 6.376 1.00 0.00 N ATOM 747 NH2 ARG A 49 13.594 -13.172 8.475 1.00 0.00 N ATOM 0 H ARG A 49 11.911 -5.786 4.370 1.00 0.00 H new ATOM 0 HA ARG A 49 10.828 -6.615 6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.857 -8.078 5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.425 -7.448 5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.235 -8.465 7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.593 -8.980 7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.469 -10.488 5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.106 -10.001 6.011 1.00 0.00 H new ATOM 0 HE ARG A 49 12.765 -10.900 8.437 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.311 -12.333 5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.577 -13.860 6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.175 -12.819 9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.964 -14.122 8.440 1.00 0.00 H new ATOM 761 N LYS A 50 13.783 -5.134 7.303 1.00 0.00 N ATOM 762 CA LYS A 50 14.392 -4.027 8.074 1.00 0.00 C ATOM 763 C LYS A 50 14.364 -2.667 7.255 1.00 0.00 C ATOM 764 O LYS A 50 15.423 -2.131 6.884 1.00 0.00 O ATOM 765 CB LYS A 50 15.805 -4.540 8.503 1.00 0.00 C ATOM 766 CG LYS A 50 16.573 -3.547 9.427 1.00 0.00 C ATOM 767 CD LYS A 50 17.892 -4.091 9.984 1.00 0.00 C ATOM 768 CE LYS A 50 18.516 -2.989 10.878 1.00 0.00 C ATOM 769 NZ LYS A 50 19.818 -3.528 11.281 1.00 0.00 N ATOM 0 H LYS A 50 14.396 -5.521 6.585 1.00 0.00 H new ATOM 0 HA LYS A 50 13.832 -3.768 8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.695 -5.494 9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.401 -4.728 7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.778 -2.634 8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.927 -3.272 10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.718 -4.999 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.570 -4.355 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.627 -2.052 10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.889 -2.780 11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.305 -2.840 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.679 -4.416 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.395 -3.711 10.435 1.00 0.00 H new ATOM 783 N LYS A 51 13.178 -2.179 6.954 1.00 0.00 N ATOM 784 CA LYS A 51 13.008 -0.848 6.309 1.00 0.00 C ATOM 785 C LYS A 51 11.710 -0.123 6.894 1.00 0.00 C ATOM 786 O LYS A 51 11.746 0.270 8.070 1.00 0.00 O ATOM 787 CB LYS A 51 13.259 -0.807 4.762 1.00 0.00 C ATOM 788 CG LYS A 51 14.564 -1.323 4.107 1.00 0.00 C ATOM 789 CD LYS A 51 14.571 -1.300 2.607 1.00 0.00 C ATOM 790 CE LYS A 51 15.953 -1.618 1.968 1.00 0.00 C ATOM 791 NZ LYS A 51 16.036 -1.160 0.535 1.00 0.00 N ATOM 0 H LYS A 51 12.302 -2.669 7.137 1.00 0.00 H new ATOM 0 HA LYS A 51 13.841 -0.207 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.441 -1.361 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.151 0.234 4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.397 -0.721 4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.741 -2.345 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.840 -2.021 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.245 -0.316 2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.739 -1.135 2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.135 -2.692 2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.941 -1.467 0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.251 -1.574 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.973 -0.123 0.498 1.00 0.00 H new ATOM 805 N ARG A 52 10.696 0.123 6.087 1.00 0.00 N ATOM 806 CA ARG A 52 9.286 0.474 6.503 1.00 0.00 C ATOM 807 C ARG A 52 9.076 1.896 7.138 1.00 0.00 C ATOM 808 O ARG A 52 9.067 2.069 8.353 1.00 0.00 O ATOM 809 CB ARG A 52 8.711 -0.776 7.268 1.00 0.00 C ATOM 810 CG ARG A 52 7.173 -0.736 7.514 1.00 0.00 C ATOM 811 CD ARG A 52 6.655 -2.100 8.005 1.00 0.00 C ATOM 812 NE ARG A 52 7.028 -2.202 9.441 1.00 0.00 N ATOM 813 CZ ARG A 52 7.783 -3.122 10.001 1.00 0.00 C ATOM 814 NH1 ARG A 52 8.588 -3.895 9.331 1.00 0.00 N ATOM 815 NH2 ARG A 52 7.672 -3.259 11.278 1.00 0.00 N ATOM 0 H ARG A 52 10.801 0.091 5.073 1.00 0.00 H new ATOM 0 HA ARG A 52 8.665 0.648 5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.951 -1.675 6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.217 -0.861 8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.939 0.032 8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.661 -0.459 6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.575 -2.173 7.879 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.099 -2.913 7.430 1.00 0.00 H new ATOM 0 HE ARG A 52 6.658 -1.480 10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.657 -3.804 8.317 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.150 -4.592 9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.023 -2.669 11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.233 -3.957 11.767 1.00 0.00 H new ATOM 829 N ARG A 53 8.773 2.888 6.273 1.00 0.00 N ATOM 830 CA ARG A 53 8.169 4.204 6.715 1.00 0.00 C ATOM 831 C ARG A 53 6.924 4.533 5.824 1.00 0.00 C ATOM 832 O ARG A 53 6.208 3.629 5.372 1.00 0.00 O ATOM 833 CB ARG A 53 9.331 5.196 6.838 1.00 0.00 C ATOM 834 CG ARG A 53 9.028 6.467 7.711 1.00 0.00 C ATOM 835 CD ARG A 53 10.212 7.398 7.979 1.00 0.00 C ATOM 836 NE ARG A 53 10.447 8.315 6.819 1.00 0.00 N ATOM 837 CZ ARG A 53 11.249 9.382 6.862 1.00 0.00 C ATOM 838 NH1 ARG A 53 12.086 9.621 7.843 1.00 0.00 N ATOM 839 NH2 ARG A 53 11.172 10.203 5.886 1.00 0.00 N ATOM 0 H ARG A 53 8.928 2.822 5.267 1.00 0.00 H new ATOM 0 HA ARG A 53 7.711 4.219 7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.189 4.677 7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.620 5.521 5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.244 7.042 7.219 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.627 6.137 8.669 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.022 7.984 8.878 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.108 6.807 8.167 1.00 0.00 H new ATOM 0 HE ARG A 53 9.965 8.113 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.149 8.974 8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.674 10.454 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.519 10.027 5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.763 11.034 5.871 1.00 0.00 H new ATOM 853 N GLN A 54 6.465 5.792 5.726 1.00 0.00 N ATOM 854 CA GLN A 54 5.028 6.139 5.528 1.00 0.00 C ATOM 855 C GLN A 54 4.896 7.719 5.357 1.00 0.00 C ATOM 856 O GLN A 54 4.995 8.475 6.337 1.00 0.00 O ATOM 857 CB GLN A 54 4.065 5.642 6.664 1.00 0.00 C ATOM 858 CG GLN A 54 2.534 5.648 6.362 1.00 0.00 C ATOM 859 CD GLN A 54 1.668 5.123 7.503 1.00 0.00 C ATOM 860 OE1 GLN A 54 1.903 5.288 8.708 1.00 0.00 O ATOM 861 NE2 GLN A 54 0.580 4.491 7.150 1.00 0.00 N ATOM 0 H GLN A 54 7.074 6.608 5.781 1.00 0.00 H new ATOM 0 HA GLN A 54 4.708 5.610 4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.352 4.624 6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.237 6.260 7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.226 6.667 6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.348 5.045 5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.372 4.347 6.162 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.061 4.142 7.863 1.00 0.00 H new ATOM 870 N ARG A 55 4.745 8.189 4.074 1.00 0.00 N ATOM 871 CA ARG A 55 4.773 9.635 3.688 1.00 0.00 C ATOM 872 C ARG A 55 3.515 10.136 2.899 1.00 0.00 C ATOM 873 O ARG A 55 3.115 9.504 1.924 1.00 0.00 O ATOM 874 CB ARG A 55 6.074 9.855 2.892 1.00 0.00 C ATOM 875 CG ARG A 55 6.538 11.356 2.854 1.00 0.00 C ATOM 876 CD ARG A 55 7.865 11.558 2.081 1.00 0.00 C ATOM 877 NE ARG A 55 8.217 13.026 1.833 1.00 0.00 N ATOM 878 CZ ARG A 55 9.238 13.430 1.096 1.00 0.00 C ATOM 879 NH1 ARG A 55 10.222 12.644 0.755 1.00 0.00 N ATOM 880 NH2 ARG A 55 9.329 14.668 0.699 1.00 0.00 N ATOM 0 H ARG A 55 4.600 7.568 3.278 1.00 0.00 H new ATOM 0 HA ARG A 55 4.746 10.236 4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.866 9.249 3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.930 9.501 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.758 11.960 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.659 11.719 3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.675 11.089 2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.799 11.043 1.123 1.00 0.00 H new ATOM 0 HE ARG A 55 7.627 13.738 2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.226 11.670 1.059 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.988 13.003 0.185 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.607 15.341 0.956 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.123 14.964 0.131 1.00 0.00 H new ATOM 894 N ARG A 56 2.873 11.236 3.404 1.00 0.00 N ATOM 895 CA ARG A 56 1.522 11.685 2.936 1.00 0.00 C ATOM 896 C ARG A 56 1.527 13.098 2.225 1.00 0.00 C ATOM 897 O ARG A 56 1.888 14.144 2.797 1.00 0.00 O ATOM 898 CB ARG A 56 0.554 11.673 4.173 1.00 0.00 C ATOM 899 CG ARG A 56 -0.941 11.881 3.760 1.00 0.00 C ATOM 900 CD ARG A 56 -1.620 13.123 4.443 1.00 0.00 C ATOM 901 NE ARG A 56 -2.959 13.435 3.850 1.00 0.00 N ATOM 902 CZ ARG A 56 -3.173 14.325 2.891 1.00 0.00 C ATOM 903 NH1 ARG A 56 -2.299 15.181 2.440 1.00 0.00 N ATOM 904 NH2 ARG A 56 -4.332 14.280 2.316 1.00 0.00 N ATOM 0 H ARG A 56 3.270 11.827 4.135 1.00 0.00 H new ATOM 0 HA ARG A 56 1.181 10.992 2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.654 10.724 4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.849 12.458 4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.997 11.998 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.507 10.984 4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.733 12.931 5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.969 13.991 4.342 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.766 12.925 4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.357 15.202 2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.557 15.830 1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.020 13.586 2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.557 14.939 1.571 1.00 0.00 H new ATOM 918 N ARG A 57 1.037 13.066 0.973 1.00 0.00 N ATOM 919 CA ARG A 57 1.027 14.286 0.102 1.00 0.00 C ATOM 920 C ARG A 57 -0.367 14.555 -0.595 1.00 0.00 C ATOM 921 O ARG A 57 -0.953 15.584 -0.191 1.00 0.00 O ATOM 922 CB ARG A 57 2.347 14.168 -0.741 1.00 0.00 C ATOM 923 CG ARG A 57 2.866 15.357 -1.642 1.00 0.00 C ATOM 924 CD ARG A 57 2.185 15.612 -3.012 1.00 0.00 C ATOM 925 NE ARG A 57 3.158 16.346 -3.861 1.00 0.00 N ATOM 926 CZ ARG A 57 3.047 17.524 -4.411 1.00 0.00 C ATOM 927 NH1 ARG A 57 1.987 18.231 -4.418 1.00 0.00 N ATOM 928 NH2 ARG A 57 4.094 17.999 -4.937 1.00 0.00 N ATOM 0 H ARG A 57 0.646 12.232 0.535 1.00 0.00 H new ATOM 0 HA ARG A 57 1.073 15.240 0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.148 13.929 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.227 13.305 -1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.784 16.273 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.927 15.191 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.901 14.670 -3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.272 16.193 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 57 4.037 15.861 -4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.139 17.884 -3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.986 19.144 -4.872 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.963 17.465 -4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.070 18.916 -5.383 1.00 0.00 H new ATOM 942 N PRO A 58 -0.889 13.880 -1.652 1.00 0.00 N ATOM 943 CA PRO A 58 -2.149 14.295 -2.328 1.00 0.00 C ATOM 944 C PRO A 58 -3.542 13.986 -1.591 1.00 0.00 C ATOM 945 O PRO A 58 -3.497 13.408 -0.497 1.00 0.00 O ATOM 946 CB PRO A 58 -2.028 13.521 -3.668 1.00 0.00 C ATOM 947 CG PRO A 58 -1.353 12.224 -3.292 1.00 0.00 C ATOM 948 CD PRO A 58 -0.322 12.650 -2.238 1.00 0.00 C ATOM 0 HA PRO A 58 -2.213 15.382 -2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.006 13.345 -4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.440 14.078 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.065 11.503 -2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.877 11.755 -4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.182 11.877 -1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.653 12.836 -2.688 1.00 0.00 H new ATOM 956 N PRO A 59 -4.809 14.193 -2.103 1.00 0.00 N ATOM 957 CA PRO A 59 -6.052 14.139 -1.272 1.00 0.00 C ATOM 958 C PRO A 59 -6.428 12.776 -0.542 1.00 0.00 C ATOM 959 O PRO A 59 -6.426 12.836 0.686 1.00 0.00 O ATOM 960 CB PRO A 59 -7.147 14.734 -2.182 1.00 0.00 C ATOM 961 CG PRO A 59 -6.387 15.621 -3.170 1.00 0.00 C ATOM 962 CD PRO A 59 -5.028 14.947 -3.347 1.00 0.00 C ATOM 0 HA PRO A 59 -5.899 14.717 -0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.702 13.951 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.871 15.311 -1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.916 15.696 -4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.277 16.635 -2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.026 14.286 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.240 15.684 -3.505 1.00 0.00 H new ATOM 970 N GLN A 60 -6.618 11.533 -0.997 1.00 0.00 N ATOM 971 CA GLN A 60 -6.495 11.130 -2.442 1.00 0.00 C ATOM 972 C GLN A 60 -7.549 10.049 -2.788 1.00 0.00 C ATOM 973 O GLN A 60 -7.954 9.293 -1.917 1.00 0.00 O ATOM 974 CB GLN A 60 -5.021 10.736 -2.771 1.00 0.00 C ATOM 975 CG GLN A 60 -4.600 10.416 -4.249 1.00 0.00 C ATOM 976 CD GLN A 60 -4.957 11.378 -5.387 1.00 0.00 C ATOM 977 OE1 GLN A 60 -5.944 12.098 -5.345 1.00 0.00 O ATOM 978 NE2 GLN A 60 -4.287 11.301 -6.486 1.00 0.00 N ATOM 0 H GLN A 60 -6.864 10.756 -0.384 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.720 11.975 -3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.384 11.549 -2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.779 9.860 -2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.516 10.298 -4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.028 9.446 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.461 10.705 -6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.583 11.836 -7.302 1.00 0.00 H new ATOM 987 N GLY A 61 -8.059 9.990 -4.052 1.00 0.00 N ATOM 988 CA GLY A 61 -8.534 8.705 -4.615 1.00 0.00 C ATOM 989 C GLY A 61 -7.482 7.574 -4.733 1.00 0.00 C ATOM 990 O GLY A 61 -7.460 6.717 -3.870 1.00 0.00 O ATOM 0 H GLY A 61 -8.148 10.791 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.356 8.344 -3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.942 8.897 -5.607 1.00 0.00 H new ATOM 994 N ASN A 62 -6.629 7.629 -5.750 1.00 0.00 N ATOM 995 CA ASN A 62 -5.699 6.510 -6.111 1.00 0.00 C ATOM 996 C ASN A 62 -4.633 6.135 -4.988 1.00 0.00 C ATOM 997 O ASN A 62 -4.467 4.973 -4.647 1.00 0.00 O ATOM 998 CB ASN A 62 -4.944 6.825 -7.439 1.00 0.00 C ATOM 999 CG ASN A 62 -5.621 7.570 -8.563 1.00 0.00 C ATOM 1000 OD1 ASN A 62 -5.558 8.782 -8.517 1.00 0.00 O ATOM 1001 ND2 ASN A 62 -6.272 6.973 -9.513 1.00 0.00 N ATOM 0 H ASN A 62 -6.545 8.441 -6.361 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.348 5.642 -6.226 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.053 7.393 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.605 5.873 -7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.740 7.522 -10.234 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.316 5.954 -9.539 1.00 0.00 H new ATOM 1008 N GLN A 63 -3.990 7.112 -4.324 1.00 0.00 N ATOM 1009 CA GLN A 63 -3.204 6.840 -3.068 1.00 0.00 C ATOM 1010 C GLN A 63 -4.004 6.410 -1.762 1.00 0.00 C ATOM 1011 O GLN A 63 -3.385 6.090 -0.756 1.00 0.00 O ATOM 1012 CB GLN A 63 -2.283 8.097 -2.865 1.00 0.00 C ATOM 1013 CG GLN A 63 -1.018 7.738 -2.008 1.00 0.00 C ATOM 1014 CD GLN A 63 0.055 8.784 -1.818 1.00 0.00 C ATOM 1015 OE1 GLN A 63 0.108 9.441 -0.780 1.00 0.00 O ATOM 1016 NE2 GLN A 63 0.850 9.026 -2.789 1.00 0.00 N ATOM 0 H GLN A 63 -3.987 8.089 -4.616 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.637 5.922 -3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.971 8.484 -3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.847 8.889 -2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.364 7.437 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.550 6.864 -2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.794 8.472 -3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.540 9.773 -2.709 1.00 0.00 H new ATOM 1025 N ALA A 64 -5.383 6.366 -1.730 1.00 0.00 N ATOM 1026 CA ALA A 64 -6.176 5.529 -0.805 1.00 0.00 C ATOM 1027 C ALA A 64 -6.623 4.149 -1.396 1.00 0.00 C ATOM 1028 O ALA A 64 -6.637 3.167 -0.680 1.00 0.00 O ATOM 1029 CB ALA A 64 -7.344 6.427 -0.324 1.00 0.00 C ATOM 0 H ALA A 64 -5.962 6.923 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.565 5.207 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.973 5.866 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.943 7.306 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.938 6.742 -1.182 1.00 0.00 H new ATOM 1035 N HIS A 65 -6.950 4.038 -2.690 1.00 0.00 N ATOM 1036 CA HIS A 65 -7.359 2.743 -3.369 1.00 0.00 C ATOM 1037 C HIS A 65 -6.231 1.715 -3.855 1.00 0.00 C ATOM 1038 O HIS A 65 -6.211 0.552 -3.492 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 -6.947 4.836 -3.325 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.824 2.185 -2.556 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.951 3.896 -5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.418 2.208 -5.240 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 -5.324 2.244 -4.697 1.00 0.00 N ATOM 1054 CA GLN A 66 -4.395 1.475 -5.582 1.00 0.00 C ATOM 1055 C GLN A 66 -3.197 0.719 -4.909 1.00 0.00 C ATOM 1056 O GLN A 66 -2.711 1.152 -3.867 1.00 0.00 O ATOM 1057 CB GLN A 66 -3.930 2.637 -6.509 1.00 0.00 C ATOM 1058 CG GLN A 66 -3.061 2.378 -7.792 1.00 0.00 C ATOM 1059 CD GLN A 66 -2.458 3.643 -8.401 1.00 0.00 C ATOM 1060 OE1 GLN A 66 -2.974 4.200 -9.381 1.00 0.00 O ATOM 1061 NE2 GLN A 66 -1.346 4.185 -7.933 1.00 0.00 N ATOM 0 H GLN A 66 -5.204 3.253 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.881 0.619 -6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.830 3.157 -6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.370 3.333 -5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.255 1.689 -7.539 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.678 1.885 -8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.876 3.771 -7.128 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.958 5.017 -8.377 1.00 0.00 H new ATOM 1070 N ASP A 67 -2.704 -0.326 -5.598 1.00 0.00 N ATOM 1071 CA ASP A 67 -1.276 -0.694 -5.534 1.00 0.00 C ATOM 1072 C ASP A 67 -0.329 -0.053 -6.638 1.00 0.00 C ATOM 1073 O ASP A 67 0.621 0.618 -6.215 1.00 0.00 O ATOM 1074 CB ASP A 67 -1.242 -2.256 -5.402 1.00 0.00 C ATOM 1075 CG ASP A 67 -0.518 -2.868 -4.210 1.00 0.00 C ATOM 1076 OD1 ASP A 67 -0.703 -2.397 -3.071 1.00 0.00 O ATOM 1077 OD2 ASP A 67 0.262 -3.803 -4.422 1.00 0.00 O ATOM 0 H ASP A 67 -3.267 -0.926 -6.201 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.809 -0.236 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.273 -2.610 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.786 -2.656 -6.308 1.00 0.00 H new ATOM 1082 N PRO A 68 -0.502 -0.286 -7.979 1.00 0.00 N ATOM 1083 CA PRO A 68 0.602 -0.138 -8.947 1.00 0.00 C ATOM 1084 C PRO A 68 0.572 1.306 -9.587 1.00 0.00 C ATOM 1085 O PRO A 68 0.854 2.287 -8.913 1.00 0.00 O ATOM 1086 CB PRO A 68 0.395 -1.387 -9.853 1.00 0.00 C ATOM 1087 CG PRO A 68 -1.119 -1.542 -9.943 1.00 0.00 C ATOM 1088 CD PRO A 68 -1.614 -1.024 -8.581 1.00 0.00 C ATOM 0 HA PRO A 68 1.625 -0.151 -8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.839 -1.242 -10.838 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.860 -2.273 -9.421 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.534 -0.962 -10.768 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.407 -2.580 -10.107 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.484 -0.379 -8.706 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.920 -1.851 -7.941 1.00 0.00 H new ATOM 1096 N LEU A 69 0.306 1.392 -10.920 1.00 0.00 N ATOM 1097 CA LEU A 69 0.088 2.663 -11.645 1.00 0.00 C ATOM 1098 C LEU A 69 -0.839 2.570 -12.929 1.00 0.00 C ATOM 1099 O LEU A 69 -1.713 3.436 -13.018 1.00 0.00 O ATOM 1100 CB LEU A 69 1.430 3.405 -12.070 1.00 0.00 C ATOM 1101 CG LEU A 69 2.280 4.182 -11.027 1.00 0.00 C ATOM 1102 CD1 LEU A 69 3.516 4.814 -11.694 1.00 0.00 C ATOM 1103 CD2 LEU A 69 1.437 5.268 -10.359 1.00 0.00 C ATOM 0 H LEU A 69 0.238 0.571 -11.521 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.437 3.246 -10.888 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.082 2.655 -12.517 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.169 4.111 -12.858 1.00 0.00 H new ATOM 0 HG LEU A 69 2.617 3.476 -10.268 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.097 5.353 -10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.131 4.030 -12.136 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.195 5.506 -12.473 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.045 5.804 -9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.077 5.966 -11.115 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.587 4.810 -9.854 1.00 0.00 H new ATOM 1115 N PRO A 70 -0.687 1.685 -13.970 1.00 0.00 N ATOM 1116 CA PRO A 70 -1.587 1.657 -15.176 1.00 0.00 C ATOM 1117 C PRO A 70 -2.879 0.793 -15.054 1.00 0.00 C ATOM 1118 O PRO A 70 -2.985 -0.086 -14.211 1.00 0.00 O ATOM 1119 CB PRO A 70 -0.517 1.149 -16.193 1.00 0.00 C ATOM 1120 CG PRO A 70 0.268 -0.001 -15.447 1.00 0.00 C ATOM 1121 CD PRO A 70 0.416 0.694 -14.089 1.00 0.00 C ATOM 0 HA PRO A 70 -2.083 2.595 -15.425 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.987 0.776 -17.103 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.155 1.954 -16.489 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.294 -0.933 -15.390 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.225 -0.235 -15.913 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.367 -0.034 -13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.385 1.188 -14.015 1.00 0.00 H new ATOM 1129 N GLU A 71 -3.809 0.995 -16.003 1.00 0.00 N ATOM 1130 CA GLU A 71 -5.180 0.370 -16.060 1.00 0.00 C ATOM 1131 C GLU A 71 -5.124 -1.012 -16.773 1.00 0.00 C ATOM 1132 O GLU A 71 -5.503 -1.248 -17.913 1.00 0.00 O ATOM 1133 CB GLU A 71 -6.168 1.435 -16.633 1.00 0.00 C ATOM 1134 CG GLU A 71 -5.812 2.202 -17.952 1.00 0.00 C ATOM 1135 CD GLU A 71 -5.049 3.507 -17.820 1.00 0.00 C ATOM 1136 OE1 GLU A 71 -3.815 3.520 -17.609 1.00 0.00 O ATOM 1137 OE2 GLU A 71 -5.683 4.572 -17.807 1.00 0.00 O ATOM 0 H GLU A 71 -3.639 1.620 -16.791 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.571 0.110 -15.076 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.124 0.937 -16.795 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.326 2.182 -15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.227 1.533 -18.583 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.742 2.408 -18.482 1.00 0.00 H new ATOM 1144 N GLN A 72 -4.565 -2.008 -16.082 1.00 0.00 N ATOM 1145 CA GLN A 72 -4.274 -3.366 -16.640 1.00 0.00 C ATOM 1146 C GLN A 72 -4.373 -4.473 -15.491 1.00 0.00 C ATOM 1147 O GLN A 72 -3.333 -4.747 -14.881 1.00 0.00 O ATOM 1148 CB GLN A 72 -2.864 -3.419 -17.368 1.00 0.00 C ATOM 1149 CG GLN A 72 -2.631 -2.407 -18.551 1.00 0.00 C ATOM 1150 CD GLN A 72 -1.199 -2.539 -19.170 1.00 0.00 C ATOM 1151 OE1 GLN A 72 -0.332 -3.147 -18.562 1.00 0.00 O ATOM 1152 NE2 GLN A 72 -0.922 -1.941 -20.293 1.00 0.00 N ATOM 0 H GLN A 72 -4.291 -1.911 -15.104 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.029 -3.583 -17.396 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.090 -3.249 -16.620 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.719 -4.429 -17.753 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.377 -2.579 -19.326 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.776 -1.389 -18.190 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.652 -1.435 -20.795 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.025 -1.978 -20.671 1.00 0.00 H new ATOM 1161 N PRO A 73 -5.521 -5.161 -15.159 1.00 0.00 N ATOM 1162 CA PRO A 73 -5.632 -6.067 -13.946 1.00 0.00 C ATOM 1163 C PRO A 73 -4.938 -7.507 -14.114 1.00 0.00 C ATOM 1164 O PRO A 73 -5.461 -8.414 -14.784 1.00 0.00 O ATOM 1165 CB PRO A 73 -7.165 -6.163 -13.743 1.00 0.00 C ATOM 1166 CG PRO A 73 -7.756 -5.952 -15.128 1.00 0.00 C ATOM 1167 CD PRO A 73 -6.805 -5.018 -15.884 1.00 0.00 C ATOM 0 HA PRO A 73 -5.094 -5.666 -13.087 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.450 -7.133 -13.335 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.519 -5.407 -13.043 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.860 -6.902 -15.652 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.752 -5.515 -15.060 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.708 -5.307 -16.931 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.160 -3.988 -15.869 1.00 0.00 H new ATOM 1175 N SER A 74 -3.824 -7.768 -13.368 1.00 0.00 N ATOM 1176 CA SER A 74 -3.144 -9.072 -13.232 1.00 0.00 C ATOM 1177 C SER A 74 -2.219 -9.118 -11.951 1.00 0.00 C ATOM 1178 O SER A 74 -2.667 -8.799 -10.834 1.00 0.00 O ATOM 1179 CB SER A 74 -2.555 -9.609 -14.551 1.00 0.00 C ATOM 1180 OG SER A 74 -2.364 -11.018 -14.504 1.00 0.00 O ATOM 0 H SER A 74 -3.364 -7.037 -12.826 1.00 0.00 H new ATOM 0 HA SER A 74 -3.902 -9.828 -13.026 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.222 -9.359 -15.376 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.602 -9.119 -14.751 1.00 0.00 H new ATOM 0 HG SER A 74 -1.991 -11.326 -15.356 1.00 0.00 H new ATOM 1186 N SER A 75 -0.891 -9.435 -12.081 1.00 0.00 N ATOM 1187 CA SER A 75 0.115 -9.180 -11.020 1.00 0.00 C ATOM 1188 C SER A 75 1.461 -8.585 -11.509 1.00 0.00 C ATOM 1189 O SER A 75 1.838 -8.625 -12.693 1.00 0.00 O ATOM 1190 CB SER A 75 0.205 -10.460 -10.228 1.00 0.00 C ATOM 1191 OG SER A 75 0.817 -11.523 -10.977 1.00 0.00 O ATOM 0 H SER A 75 -0.501 -9.869 -12.918 1.00 0.00 H new ATOM 0 HA SER A 75 -0.205 -8.364 -10.373 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.779 -10.282 -9.318 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.795 -10.765 -9.920 1.00 0.00 H new ATOM 0 HG SER A 75 0.856 -12.332 -10.425 1.00 0.00 H new ATOM 1197 N GLN A 76 2.219 -8.011 -10.559 1.00 0.00 N ATOM 1198 CA GLN A 76 3.559 -7.366 -10.821 1.00 0.00 C ATOM 1199 C GLN A 76 3.546 -6.024 -11.641 1.00 0.00 C ATOM 1200 O GLN A 76 3.879 -5.914 -12.808 1.00 0.00 O ATOM 1201 CB GLN A 76 4.663 -8.343 -11.251 1.00 0.00 C ATOM 1202 CG GLN A 76 6.168 -7.870 -11.051 1.00 0.00 C ATOM 1203 CD GLN A 76 7.192 -8.986 -10.956 1.00 0.00 C ATOM 1204 OE1 GLN A 76 7.760 -9.239 -9.892 1.00 0.00 O ATOM 1205 NE2 GLN A 76 7.485 -9.708 -12.002 1.00 0.00 N ATOM 0 H GLN A 76 1.937 -7.970 -9.579 1.00 0.00 H new ATOM 0 HA GLN A 76 3.840 -7.032 -9.822 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.525 -9.273 -10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.518 -8.573 -12.307 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.440 -7.219 -11.882 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.225 -7.269 -10.144 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.030 -9.520 -12.895 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.169 -10.461 -11.927 1.00 0.00 H new ATOM 1214 N HIS A 77 3.133 -4.921 -11.020 1.00 0.00 N ATOM 1215 CA HIS A 77 2.776 -3.601 -11.693 1.00 0.00 C ATOM 1216 C HIS A 77 1.581 -3.741 -12.734 1.00 0.00 C ATOM 1217 O HIS A 77 1.685 -3.347 -13.906 1.00 0.00 O ATOM 1218 CB HIS A 77 4.060 -2.953 -12.242 1.00 0.00 C ATOM 1219 CG HIS A 77 4.011 -1.442 -12.299 1.00 0.00 C ATOM 1220 ND1 HIS A 77 4.038 -0.632 -11.206 1.00 0.00 N ATOM 1221 CD2 HIS A 77 3.943 -0.710 -13.476 1.00 0.00 C ATOM 1222 CE1 HIS A 77 4.037 0.617 -11.825 1.00 0.00 C ATOM 1223 NE2 HIS A 77 3.933 0.661 -13.230 1.00 0.00 N ATOM 0 H HIS A 77 3.023 -4.884 -10.007 1.00 0.00 H new ATOM 0 HA HIS A 77 2.365 -2.911 -10.956 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.902 -3.256 -11.620 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.249 -3.338 -13.244 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.903 -1.149 -14.462 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.114 1.525 -11.245 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.870 1.453 -13.870 1.00 0.00 H new ATOM 1232 N ARG A 78 0.433 -4.259 -12.252 1.00 0.00 N ATOM 1233 CA ARG A 78 -0.730 -4.582 -13.107 1.00 0.00 C ATOM 1234 C ARG A 78 -2.013 -4.277 -12.262 1.00 0.00 C ATOM 1235 O ARG A 78 -2.632 -3.239 -12.339 1.00 0.00 O ATOM 1236 CB ARG A 78 -0.594 -6.044 -13.710 1.00 0.00 C ATOM 1237 CG ARG A 78 0.506 -6.410 -14.733 1.00 0.00 C ATOM 1238 CD ARG A 78 0.245 -5.919 -16.175 1.00 0.00 C ATOM 1239 NE ARG A 78 1.287 -6.652 -17.035 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.379 -6.608 -18.366 1.00 0.00 C ATOM 1241 NH1 ARG A 78 0.740 -5.773 -19.107 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.147 -7.489 -18.948 1.00 0.00 N ATOM 0 H ARG A 78 0.285 -4.465 -11.264 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.794 -3.965 -14.003 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.476 -6.723 -12.865 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.550 -6.281 -14.178 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.453 -5.995 -14.390 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.620 -7.494 -14.749 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.769 -6.156 -16.496 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.359 -4.838 -16.251 1.00 0.00 H new ATOM 0 HE ARG A 78 1.972 -7.225 -16.543 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.115 -5.088 -18.682 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.858 -5.796 -20.120 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.650 -8.177 -18.387 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.244 -7.489 -19.963 1.00 0.00 H new ATOM 1256 N GLY A 79 -2.475 -5.281 -11.493 1.00 0.00 N ATOM 1257 CA GLY A 79 -3.573 -5.120 -10.485 1.00 0.00 C ATOM 1258 C GLY A 79 -3.164 -5.570 -9.072 1.00 0.00 C ATOM 1259 O GLY A 79 -3.802 -6.454 -8.513 1.00 0.00 O ATOM 0 H GLY A 79 -2.107 -6.231 -11.543 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.878 -4.074 -10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.441 -5.696 -10.807 1.00 0.00 H new ATOM 1263 N ASP A 80 -2.136 -4.949 -8.521 1.00 0.00 N ATOM 1264 CA ASP A 80 -1.398 -5.507 -7.341 1.00 0.00 C ATOM 1265 C ASP A 80 -2.198 -5.950 -6.042 1.00 0.00 C ATOM 1266 O ASP A 80 -1.727 -6.801 -5.267 1.00 0.00 O ATOM 1267 CB ASP A 80 -0.280 -6.453 -7.854 1.00 0.00 C ATOM 1268 CG ASP A 80 0.831 -5.793 -8.629 1.00 0.00 C ATOM 1269 OD1 ASP A 80 0.559 -5.147 -9.637 1.00 0.00 O ATOM 1270 OD2 ASP A 80 1.993 -5.826 -8.180 1.00 0.00 O ATOM 0 H ASP A 80 -1.773 -4.056 -8.853 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.942 -4.651 -6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.156 -6.968 -6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.736 -7.215 -8.486 1.00 0.00 H new ATOM 1275 N HIS A 81 -3.354 -5.310 -5.729 1.00 0.00 N ATOM 1276 CA HIS A 81 -4.112 -5.608 -4.452 1.00 0.00 C ATOM 1277 C HIS A 81 -5.646 -5.370 -4.295 1.00 0.00 C ATOM 1278 O HIS A 81 -6.204 -6.142 -3.518 1.00 0.00 O ATOM 1279 CB HIS A 81 -3.368 -5.162 -3.182 1.00 0.00 C ATOM 1280 CG HIS A 81 -3.722 -3.761 -2.777 1.00 0.00 C ATOM 1281 ND1 HIS A 81 -4.170 -2.755 -3.629 1.00 0.00 N ATOM 1282 CD2 HIS A 81 -3.325 -3.248 -1.550 1.00 0.00 C ATOM 1283 CE1 HIS A 81 -4.010 -1.686 -2.826 1.00 0.00 C ATOM 1284 NE2 HIS A 81 -3.510 -1.890 -1.577 1.00 0.00 N ATOM 0 H HIS A 81 -3.786 -4.598 -6.318 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.114 -6.689 -4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.605 -5.845 -2.366 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.293 -5.228 -3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -2.938 -3.819 -0.719 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.271 -0.694 -3.164 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.321 -1.205 -0.845 1.00 0.00 H new ATOM 1293 N PRO A 82 -6.369 -4.305 -4.781 1.00 0.00 N ATOM 1294 CA PRO A 82 -7.889 -4.275 -4.779 1.00 0.00 C ATOM 1295 C PRO A 82 -8.599 -5.026 -5.981 1.00 0.00 C ATOM 1296 O PRO A 82 -7.942 -5.666 -6.832 1.00 0.00 O ATOM 1297 CB PRO A 82 -8.031 -2.699 -4.759 1.00 0.00 C ATOM 1298 CG PRO A 82 -6.709 -2.103 -5.264 1.00 0.00 C ATOM 1299 CD PRO A 82 -5.809 -3.256 -5.629 1.00 0.00 C ATOM 0 HA PRO A 82 -8.387 -4.816 -3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.860 -2.382 -5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.248 -2.348 -3.750 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.882 -1.462 -6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.248 -1.484 -4.495 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.863 -3.506 -6.689 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.762 -3.054 -5.402 1.00 0.00 H new ATOM 1307 N THR A 83 -9.929 -4.807 -6.190 1.00 0.00 N ATOM 1308 CA THR A 83 -10.473 -4.727 -7.558 1.00 0.00 C ATOM 1309 C THR A 83 -10.245 -3.261 -8.069 1.00 0.00 C ATOM 1310 O THR A 83 -11.040 -2.374 -7.712 1.00 0.00 O ATOM 1311 CB THR A 83 -11.956 -5.250 -7.483 1.00 0.00 C ATOM 1312 OG1 THR A 83 -12.072 -6.583 -6.923 1.00 0.00 O ATOM 1313 CG2 THR A 83 -12.631 -5.297 -8.861 1.00 0.00 C ATOM 0 H THR A 83 -10.618 -4.687 -5.447 1.00 0.00 H new ATOM 0 HA THR A 83 -9.983 -5.355 -8.302 1.00 0.00 H new ATOM 0 HB THR A 83 -12.449 -4.529 -6.830 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.015 -6.848 -6.902 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.652 -5.664 -8.754 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.649 -4.296 -9.292 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.072 -5.964 -9.517 1.00 0.00 H new ATOM 1321 N GLY A 84 -9.080 -3.017 -8.656 1.00 0.00 N ATOM 1322 CA GLY A 84 -8.627 -1.613 -8.828 1.00 0.00 C ATOM 1323 C GLY A 84 -7.148 -1.468 -9.311 1.00 0.00 C ATOM 1324 O GLY A 84 -6.255 -1.478 -8.450 1.00 0.00 O ATOM 0 H GLY A 84 -8.443 -3.729 -9.013 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.281 -1.118 -9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.740 -1.088 -7.879 1.00 0.00 H new ATOM 1328 N PRO A 85 -6.887 -1.403 -10.637 1.00 0.00 N ATOM 1329 CA PRO A 85 -5.507 -1.249 -11.183 1.00 0.00 C ATOM 1330 C PRO A 85 -4.953 0.258 -11.232 1.00 0.00 C ATOM 1331 O PRO A 85 -3.729 0.456 -11.068 1.00 0.00 O ATOM 1332 CB PRO A 85 -5.644 -1.880 -12.574 1.00 0.00 C ATOM 1333 CG PRO A 85 -7.130 -1.792 -12.979 1.00 0.00 C ATOM 1334 CD PRO A 85 -7.938 -1.590 -11.701 1.00 0.00 C ATOM 0 HA PRO A 85 -4.760 -1.722 -10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.018 -1.356 -13.296 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.312 -2.918 -12.559 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.291 -0.965 -13.670 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.443 -2.702 -13.492 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.592 -0.721 -11.774 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.573 -2.450 -11.489 1.00 0.00 H new ATOM 1342 N LYS A 86 -5.814 1.254 -11.500 1.00 0.00 N ATOM 1343 CA LYS A 86 -5.508 2.701 -11.422 1.00 0.00 C ATOM 1344 C LYS A 86 -6.705 3.461 -10.733 1.00 0.00 C ATOM 1345 O LYS A 86 -7.661 3.935 -11.364 1.00 0.00 O ATOM 1346 CB LYS A 86 -5.245 3.169 -12.894 1.00 0.00 C ATOM 1347 CG LYS A 86 -5.027 4.698 -13.098 1.00 0.00 C ATOM 1348 CD LYS A 86 -4.592 4.923 -14.601 1.00 0.00 C ATOM 1349 CE LYS A 86 -4.540 6.411 -15.088 1.00 0.00 C ATOM 1350 NZ LYS A 86 -4.159 6.340 -16.538 1.00 0.00 N ATOM 0 H LYS A 86 -6.776 1.073 -11.787 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.631 2.917 -10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.367 2.644 -13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.089 2.858 -13.509 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.942 5.248 -12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.260 5.070 -12.418 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.606 4.481 -14.743 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.282 4.376 -15.243 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.505 6.901 -14.958 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.811 6.986 -14.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.973 7.299 -16.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.303 5.759 -16.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.937 5.913 -17.081 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.577 3.557 -9.394 1.00 0.00 N ATOM 1365 CA GLU A 87 -7.725 3.556 -8.415 1.00 0.00 C ATOM 1366 C GLU A 87 -8.140 2.057 -8.087 1.00 0.00 C ATOM 1367 O GLU A 87 -9.129 1.517 -8.656 1.00 0.00 O ATOM 1368 CB GLU A 87 -8.875 4.544 -8.755 1.00 0.00 C ATOM 1369 CG GLU A 87 -9.856 5.101 -7.635 1.00 0.00 C ATOM 1370 CD GLU A 87 -9.604 6.495 -7.014 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -8.812 7.312 -7.530 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -10.264 6.831 -6.019 1.00 0.00 O ATOM 1373 OXT GLU A 87 -7.384 1.385 -7.314 1.00 0.00 O ATOM 0 H GLU A 87 -5.668 3.639 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.384 3.991 -7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.417 5.410 -9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.497 4.058 -9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.860 5.111 -8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.861 4.378 -6.819 1.00 0.00 H new TER 1380 GLU A 87