USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 674 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 66 GLN : amide:sc= -2.78! K(o=-5.2!,f=-0.61) USER MOD Set 1.2: A 72 GLN : amide:sc= -2.45 K(o=-5.2,f=-0.61) USER MOD Set 2.1: A 59 SER OG : rot 132:sc= 0.877 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 169:sc= 1.01 (180deg=-0.000529) USER MOD Set 3.1: A 50 LYS NZ :NH3+ -117:sc= 0.0557 (180deg=-2.14!) USER MOD Set 3.2: A 54 GLN : amide:sc= 0.538 K(o=0.59,f=-3.7!) USER MOD Set 4.1: A 29 LYS NZ :NH3+ -122:sc= 0.748 (180deg=-0.182) USER MOD Set 4.2: A 30 CYS SG : rot 65:sc= -0.182 USER MOD Set 4.3: A 31 CYS SG : rot 180:sc= 0.139 USER MOD Set 4.4: A 33 HIS : no HE2:sc= -2.39 K(o=-2,f=-10!) USER MOD Set 4.5: A 46 SER OG : rot 162:sc= 1.16 USER MOD Set 4.6: A 63 GLN : amide:sc= -1.49 K(o=-2,f=-7!) USER MOD Set 5.1: A 26 HIS : no HE2:sc= 0.0224 X(o=0.022,f=-0.14) USER MOD Set 5.2: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 6.1: A 19 LYS NZ :NH3+ 179:sc= 1.32 (180deg=1.21) USER MOD Set 6.2: A 23 ASN : amide:sc= -0.42 K(o=0.9,f=-1.1) USER MOD Set 7.1: A 12 ASN : amide:sc= 0.619 X(o=-2.3,f=-2) USER MOD Set 7.2: A 35 GLN : amide:sc= 0.72 X(o=-2.3,f=-2) USER MOD Set 7.3: A 76 GLN : amide:sc= -3.63 K(o=-2.3,f=-8.9!) USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0993) USER MOD Single : A 1 MET N :NH3+ -124:sc= 2.08 (180deg=-2.44) USER MOD Single : A 7 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.41) USER MOD Single : A 13 HIS : no HD1:sc= -2.32 X(o=-2.3,f=-2.3) USER MOD Single : A 16 SER OG : rot 180:sc= 0.196 USER MOD Single : A 17 GLN : amide:sc= -0.766 K(o=-0.77,f=-3.2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.69! USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.21) USER MOD Single : A 32 TYR OH : rot 180:sc= 0.71 USER MOD Single : A 37 CYS SG : rot 90:sc= -0.705 USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= 0.843 (180deg=0.0918) USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= -0.266 (180deg=-0.969) USER MOD Single : A 47 TYR OH : rot -15:sc= 0.137 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 64 THR OG1 : rot -143:sc= 0.095! USER MOD Single : A 65 HIS : no HE2:sc= -10.4! C(o=-10!,f=-15!) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.794) USER MOD Single : A 74 SER OG : rot -75:sc= 0.376 USER MOD Single : A 75 SER OG : rot 170:sc= -0.0747 USER MOD Single : A 82 THR OG1 : rot -15:sc= -0.244! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.403 3.452 9.724 1.00 0.00 N ATOM 2 CA MET A 1 -12.091 2.757 11.018 1.00 0.00 C ATOM 3 C MET A 1 -10.729 2.008 10.909 1.00 0.00 C ATOM 4 O MET A 1 -9.785 2.573 10.386 1.00 0.00 O ATOM 5 CB MET A 1 -13.265 1.817 11.409 1.00 0.00 C ATOM 6 CG MET A 1 -13.517 0.744 10.327 1.00 0.00 C ATOM 7 SD MET A 1 -14.025 -0.803 11.119 1.00 0.00 S ATOM 8 CE MET A 1 -15.668 -0.259 11.652 1.00 0.00 C ATOM 0 H1 MET A 1 -12.557 4.465 9.902 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.607 3.334 9.066 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.262 3.039 9.307 1.00 0.00 H new ATOM 0 HA MET A 1 -11.986 3.490 11.818 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.042 1.331 12.359 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.170 2.406 11.556 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.290 1.083 9.637 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.613 0.585 9.740 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.223 -1.110 12.046 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.566 0.498 12.429 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.205 0.163 10.802 1.00 0.00 H new ATOM 20 N ASP A 2 -10.619 0.770 11.413 1.00 0.00 N ATOM 21 CA ASP A 2 -9.339 -0.019 11.372 1.00 0.00 C ATOM 22 C ASP A 2 -8.330 0.538 12.415 1.00 0.00 C ATOM 23 O ASP A 2 -8.280 1.736 12.646 1.00 0.00 O ATOM 24 CB ASP A 2 -8.735 -0.023 9.947 1.00 0.00 C ATOM 25 CG ASP A 2 -8.406 -1.456 9.534 1.00 0.00 C ATOM 26 OD1 ASP A 2 -9.329 -2.220 9.312 1.00 0.00 O ATOM 27 OD2 ASP A 2 -7.236 -1.783 9.463 1.00 0.00 O ATOM 0 H ASP A 2 -11.392 0.276 11.859 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.560 -1.054 11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.440 0.417 9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.834 0.590 9.921 1.00 0.00 H new ATOM 32 N PRO A 3 -7.565 -0.360 13.040 1.00 0.00 N ATOM 33 CA PRO A 3 -6.574 0.019 14.075 1.00 0.00 C ATOM 34 C PRO A 3 -5.288 0.599 13.434 1.00 0.00 C ATOM 35 O PRO A 3 -5.289 1.009 12.287 1.00 0.00 O ATOM 36 CB PRO A 3 -6.299 -1.309 14.801 1.00 0.00 C ATOM 37 CG PRO A 3 -6.669 -2.434 13.815 1.00 0.00 C ATOM 38 CD PRO A 3 -7.613 -1.815 12.772 1.00 0.00 C ATOM 0 HA PRO A 3 -6.931 0.800 14.746 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.252 -1.380 15.095 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.892 -1.382 15.713 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.777 -2.839 13.337 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.155 -3.260 14.335 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.286 -2.042 11.757 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.626 -2.204 12.875 1.00 0.00 H new ATOM 46 N VAL A 4 -4.193 0.652 14.199 1.00 0.00 N ATOM 47 CA VAL A 4 -2.867 1.221 13.707 1.00 0.00 C ATOM 48 C VAL A 4 -2.980 2.753 13.426 1.00 0.00 C ATOM 49 O VAL A 4 -2.049 3.367 12.920 1.00 0.00 O ATOM 50 CB VAL A 4 -2.290 0.442 12.460 1.00 0.00 C ATOM 51 CG1 VAL A 4 -2.896 -0.979 12.306 1.00 0.00 C ATOM 52 CG2 VAL A 4 -2.533 1.183 11.144 1.00 0.00 C ATOM 0 H VAL A 4 -4.166 0.317 15.162 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.148 1.078 14.513 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.221 0.369 12.659 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.463 -1.467 11.433 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.676 -1.567 13.197 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.976 -0.902 12.180 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.117 0.605 10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.605 1.313 10.992 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.051 2.160 11.182 1.00 0.00 H new ATOM 62 N ASP A 5 -4.100 3.362 13.769 1.00 0.00 N ATOM 63 CA ASP A 5 -4.310 4.815 13.545 1.00 0.00 C ATOM 64 C ASP A 5 -3.489 5.721 14.508 1.00 0.00 C ATOM 65 O ASP A 5 -3.087 6.783 14.079 1.00 0.00 O ATOM 66 CB ASP A 5 -5.799 5.084 13.571 1.00 0.00 C ATOM 67 CG ASP A 5 -6.368 4.985 14.992 1.00 0.00 C ATOM 68 OD1 ASP A 5 -6.715 3.884 15.391 1.00 0.00 O ATOM 69 OD2 ASP A 5 -6.429 6.003 15.661 1.00 0.00 O ATOM 0 H ASP A 5 -4.891 2.888 14.206 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.918 5.087 12.565 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.997 6.077 13.168 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.309 4.370 12.924 1.00 0.00 H new ATOM 74 N PRO A 6 -3.138 5.277 15.733 1.00 0.00 N ATOM 75 CA PRO A 6 -2.226 6.084 16.572 1.00 0.00 C ATOM 76 C PRO A 6 -0.781 5.965 15.971 1.00 0.00 C ATOM 77 O PRO A 6 0.112 6.699 16.351 1.00 0.00 O ATOM 78 CB PRO A 6 -2.340 5.454 17.967 1.00 0.00 C ATOM 79 CG PRO A 6 -2.868 4.020 17.754 1.00 0.00 C ATOM 80 CD PRO A 6 -3.581 4.015 16.392 1.00 0.00 C ATOM 0 HA PRO A 6 -2.463 7.147 16.615 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.372 5.441 18.468 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.018 6.028 18.598 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.050 3.300 17.766 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.554 3.737 18.552 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.304 3.141 15.802 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.664 3.989 16.511 1.00 0.00 H new ATOM 88 N ASN A 7 -0.577 5.038 15.014 1.00 0.00 N ATOM 89 CA ASN A 7 0.731 4.832 14.347 1.00 0.00 C ATOM 90 C ASN A 7 0.854 5.660 13.081 1.00 0.00 C ATOM 91 O ASN A 7 1.630 6.590 13.002 1.00 0.00 O ATOM 92 CB ASN A 7 0.838 3.389 13.854 1.00 0.00 C ATOM 93 CG ASN A 7 2.159 2.772 14.290 1.00 0.00 C ATOM 94 OD1 ASN A 7 2.196 1.690 14.825 1.00 0.00 O ATOM 95 ND2 ASN A 7 3.262 3.428 14.055 1.00 0.00 N ATOM 0 H ASN A 7 -1.309 4.411 14.680 1.00 0.00 H new ATOM 0 HA ASN A 7 1.490 5.101 15.081 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.008 2.802 14.248 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.759 3.363 12.767 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.161 3.027 14.323 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.226 4.342 13.603 1.00 0.00 H new ATOM 102 N ILE A 8 0.112 5.241 12.054 1.00 0.00 N ATOM 103 CA ILE A 8 0.146 5.843 10.713 1.00 0.00 C ATOM 104 C ILE A 8 1.514 5.697 9.997 1.00 0.00 C ATOM 105 O ILE A 8 1.515 5.553 8.802 1.00 0.00 O ATOM 106 CB ILE A 8 -0.411 7.243 10.772 1.00 0.00 C ATOM 107 CG1 ILE A 8 -1.709 7.192 11.593 1.00 0.00 C ATOM 108 CG2 ILE A 8 -0.742 7.644 9.368 1.00 0.00 C ATOM 109 CD1 ILE A 8 -2.654 6.123 11.019 1.00 0.00 C ATOM 0 H ILE A 8 -0.541 4.461 12.129 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.511 5.273 10.056 1.00 0.00 H new ATOM 0 HB ILE A 8 0.293 7.944 11.220 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.481 6.966 12.635 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.197 8.166 11.578 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.150 8.655 9.365 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.161 7.615 8.759 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.479 6.954 8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.571 6.094 11.607 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.894 6.368 9.984 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.167 5.148 11.058 1.00 0.00 H new ATOM 121 N GLU A 9 2.654 5.648 10.682 1.00 0.00 N ATOM 122 CA GLU A 9 3.970 5.420 9.984 1.00 0.00 C ATOM 123 C GLU A 9 3.891 4.141 9.110 1.00 0.00 C ATOM 124 O GLU A 9 4.151 4.225 7.921 1.00 0.00 O ATOM 125 CB GLU A 9 5.091 5.279 10.996 1.00 0.00 C ATOM 126 CG GLU A 9 5.236 6.579 11.789 1.00 0.00 C ATOM 127 CD GLU A 9 5.564 6.259 13.247 1.00 0.00 C ATOM 128 OE1 GLU A 9 4.634 6.024 13.999 1.00 0.00 O ATOM 129 OE2 GLU A 9 6.735 6.246 13.580 1.00 0.00 O ATOM 0 H GLU A 9 2.721 5.757 11.694 1.00 0.00 H new ATOM 0 HA GLU A 9 4.178 6.280 9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.881 4.451 11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.026 5.046 10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.024 7.195 11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.313 7.156 11.732 1.00 0.00 H new ATOM 136 N PRO A 10 3.464 2.999 9.693 1.00 0.00 N ATOM 137 CA PRO A 10 3.279 1.753 8.920 1.00 0.00 C ATOM 138 C PRO A 10 2.069 1.928 7.980 1.00 0.00 C ATOM 139 O PRO A 10 2.098 1.451 6.874 1.00 0.00 O ATOM 140 CB PRO A 10 3.045 0.672 9.983 1.00 0.00 C ATOM 141 CG PRO A 10 2.567 1.412 11.244 1.00 0.00 C ATOM 142 CD PRO A 10 3.119 2.841 11.132 1.00 0.00 C ATOM 0 HA PRO A 10 4.127 1.490 8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.300 -0.049 9.648 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.961 0.115 10.181 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.479 1.418 11.304 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.933 0.922 12.146 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.379 3.577 11.445 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.994 2.979 11.767 1.00 0.00 H new ATOM 150 N TRP A 11 1.041 2.678 8.403 1.00 0.00 N ATOM 151 CA TRP A 11 -0.152 2.963 7.527 1.00 0.00 C ATOM 152 C TRP A 11 0.119 4.205 6.616 1.00 0.00 C ATOM 153 O TRP A 11 -0.804 4.943 6.307 1.00 0.00 O ATOM 154 CB TRP A 11 -1.368 3.244 8.413 1.00 0.00 C ATOM 155 CG TRP A 11 -2.564 2.562 7.818 1.00 0.00 C ATOM 156 CD1 TRP A 11 -3.635 2.178 8.510 1.00 0.00 C ATOM 157 CD2 TRP A 11 -2.822 2.182 6.437 1.00 0.00 C ATOM 158 NE1 TRP A 11 -4.537 1.569 7.663 1.00 0.00 N ATOM 159 CE2 TRP A 11 -4.079 1.558 6.375 1.00 0.00 C ATOM 160 CE3 TRP A 11 -2.092 2.315 5.244 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -4.589 1.095 5.186 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -2.607 1.849 4.052 1.00 0.00 C ATOM 163 CH2 TRP A 11 -3.848 1.242 4.026 1.00 0.00 C ATOM 0 H TRP A 11 0.992 3.102 9.329 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.339 2.097 6.893 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.190 2.880 9.425 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.542 4.317 8.486 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.776 2.321 9.571 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.431 1.177 7.959 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.120 2.786 5.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.559 0.621 5.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.040 1.959 3.139 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.245 0.878 3.090 1.00 0.00 H new ATOM 174 N ASN A 12 1.371 4.457 6.201 1.00 0.00 N ATOM 175 CA ASN A 12 1.693 5.654 5.336 1.00 0.00 C ATOM 176 C ASN A 12 1.510 6.939 6.181 1.00 0.00 C ATOM 177 O ASN A 12 0.458 7.559 6.180 1.00 0.00 O ATOM 178 CB ASN A 12 0.783 5.662 4.086 1.00 0.00 C ATOM 179 CG ASN A 12 1.358 6.576 3.006 1.00 0.00 C ATOM 180 OD1 ASN A 12 2.426 6.333 2.490 1.00 0.00 O ATOM 181 ND2 ASN A 12 0.693 7.623 2.633 1.00 0.00 N ATOM 0 H ASN A 12 2.176 3.875 6.432 1.00 0.00 H new ATOM 0 HA ASN A 12 2.725 5.606 4.989 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.683 4.649 3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.217 5.999 4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.070 8.236 1.910 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.208 7.835 3.063 1.00 0.00 H new ATOM 188 N HIS A 13 2.539 7.301 6.934 1.00 0.00 N ATOM 189 CA HIS A 13 2.476 8.508 7.842 1.00 0.00 C ATOM 190 C HIS A 13 2.021 9.799 7.086 1.00 0.00 C ATOM 191 O HIS A 13 1.110 10.462 7.550 1.00 0.00 O ATOM 192 CB HIS A 13 3.854 8.754 8.493 1.00 0.00 C ATOM 193 CG HIS A 13 3.688 9.142 9.944 1.00 0.00 C ATOM 194 ND1 HIS A 13 4.772 9.462 10.744 1.00 0.00 N ATOM 195 CD2 HIS A 13 2.582 9.263 10.753 1.00 0.00 C ATOM 196 CE1 HIS A 13 4.299 9.756 11.970 1.00 0.00 C ATOM 197 NE2 HIS A 13 2.972 9.649 12.028 1.00 0.00 N ATOM 0 H HIS A 13 3.429 6.804 6.957 1.00 0.00 H new ATOM 0 HA HIS A 13 1.732 8.292 8.608 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.465 7.854 8.418 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.381 9.543 7.957 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.563 9.084 10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.920 10.044 12.805 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.372 9.815 12.836 1.00 0.00 H new ATOM 205 N PRO A 14 2.671 10.140 5.958 1.00 0.00 N ATOM 206 CA PRO A 14 2.321 11.363 5.181 1.00 0.00 C ATOM 207 C PRO A 14 1.035 11.171 4.338 1.00 0.00 C ATOM 208 O PRO A 14 0.639 10.061 4.031 1.00 0.00 O ATOM 209 CB PRO A 14 3.546 11.580 4.284 1.00 0.00 C ATOM 210 CG PRO A 14 4.255 10.211 4.164 1.00 0.00 C ATOM 211 CD PRO A 14 3.791 9.363 5.359 1.00 0.00 C ATOM 0 HA PRO A 14 2.105 12.215 5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.247 11.949 3.303 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.214 12.326 4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.999 9.725 3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.338 10.334 4.175 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.461 8.374 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.598 9.213 6.076 1.00 0.00 H new ATOM 219 N GLY A 15 0.388 12.264 3.962 1.00 0.00 N ATOM 220 CA GLY A 15 -0.875 12.185 3.143 1.00 0.00 C ATOM 221 C GLY A 15 -0.569 12.205 1.645 1.00 0.00 C ATOM 222 O GLY A 15 -0.941 13.143 0.978 1.00 0.00 O ATOM 0 H GLY A 15 0.686 13.212 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.417 11.273 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.527 13.022 3.394 1.00 0.00 H new ATOM 226 N SER A 16 0.090 11.157 1.140 1.00 0.00 N ATOM 227 CA SER A 16 0.465 11.012 -0.335 1.00 0.00 C ATOM 228 C SER A 16 0.899 12.358 -0.980 1.00 0.00 C ATOM 229 O SER A 16 2.079 12.661 -0.990 1.00 0.00 O ATOM 230 CB SER A 16 -0.693 10.357 -1.126 1.00 0.00 C ATOM 231 OG SER A 16 -1.916 11.056 -0.894 1.00 0.00 O ATOM 0 H SER A 16 0.393 10.369 1.712 1.00 0.00 H new ATOM 0 HA SER A 16 1.335 10.357 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.462 10.361 -2.191 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.801 9.314 -0.827 1.00 0.00 H new ATOM 0 HG SER A 16 -2.638 10.630 -1.402 1.00 0.00 H new ATOM 237 N GLN A 17 -0.041 13.156 -1.498 1.00 0.00 N ATOM 238 CA GLN A 17 0.272 14.494 -2.133 1.00 0.00 C ATOM 239 C GLN A 17 1.020 14.324 -3.483 1.00 0.00 C ATOM 240 O GLN A 17 1.480 13.243 -3.803 1.00 0.00 O ATOM 241 CB GLN A 17 1.096 15.370 -1.161 1.00 0.00 C ATOM 242 CG GLN A 17 0.156 16.132 -0.209 1.00 0.00 C ATOM 243 CD GLN A 17 0.338 17.649 -0.371 1.00 0.00 C ATOM 244 OE1 GLN A 17 -0.079 18.220 -1.352 1.00 0.00 O ATOM 245 NE2 GLN A 17 0.942 18.333 0.556 1.00 0.00 N ATOM 0 H GLN A 17 -1.034 12.921 -1.502 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.674 14.994 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.780 14.745 -0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.706 16.076 -1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.879 15.860 -0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.361 15.843 0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.298 17.862 1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.060 19.341 0.451 1.00 0.00 H new ATOM 254 N PRO A 18 1.093 15.409 -4.253 1.00 0.00 N ATOM 255 CA PRO A 18 1.762 15.420 -5.578 1.00 0.00 C ATOM 256 C PRO A 18 3.305 15.575 -5.478 1.00 0.00 C ATOM 257 O PRO A 18 4.007 15.234 -6.418 1.00 0.00 O ATOM 258 CB PRO A 18 1.138 16.637 -6.275 1.00 0.00 C ATOM 259 CG PRO A 18 0.613 17.570 -5.158 1.00 0.00 C ATOM 260 CD PRO A 18 0.497 16.718 -3.886 1.00 0.00 C ATOM 0 HA PRO A 18 1.618 14.481 -6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.876 17.150 -6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.327 16.331 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.294 18.407 -5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.354 17.992 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.030 17.176 -3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.542 16.607 -3.577 1.00 0.00 H new ATOM 268 N LYS A 19 3.849 16.107 -4.384 1.00 0.00 N ATOM 269 CA LYS A 19 5.351 16.281 -4.295 1.00 0.00 C ATOM 270 C LYS A 19 5.891 16.301 -2.831 1.00 0.00 C ATOM 271 O LYS A 19 7.008 16.738 -2.604 1.00 0.00 O ATOM 272 CB LYS A 19 5.736 17.590 -5.023 1.00 0.00 C ATOM 273 CG LYS A 19 7.173 17.507 -5.584 1.00 0.00 C ATOM 274 CD LYS A 19 7.271 16.454 -6.706 1.00 0.00 C ATOM 275 CE LYS A 19 6.668 16.999 -8.008 1.00 0.00 C ATOM 276 NZ LYS A 19 5.635 16.046 -8.518 1.00 0.00 N ATOM 0 H LYS A 19 3.326 16.421 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 19 5.812 15.415 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.034 17.779 -5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.659 18.431 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.473 18.482 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.866 17.254 -4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.314 16.182 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.747 15.546 -6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.220 17.977 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.451 17.136 -8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.215 16.424 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.079 15.127 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.892 15.923 -7.801 1.00 0.00 H new ATOM 290 N THR A 20 5.149 15.808 -1.849 1.00 0.00 N ATOM 291 CA THR A 20 5.684 15.782 -0.426 1.00 0.00 C ATOM 292 C THR A 20 6.055 14.337 -0.047 1.00 0.00 C ATOM 293 O THR A 20 7.101 14.096 0.527 1.00 0.00 O ATOM 294 CB THR A 20 4.652 16.323 0.587 1.00 0.00 C ATOM 295 OG1 THR A 20 3.436 15.602 0.486 1.00 0.00 O ATOM 296 CG2 THR A 20 4.376 17.802 0.320 1.00 0.00 C ATOM 0 H THR A 20 4.210 15.427 -1.965 1.00 0.00 H new ATOM 0 HA THR A 20 6.563 16.426 -0.388 1.00 0.00 H new ATOM 0 HB THR A 20 5.063 16.202 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.792 15.954 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.647 18.172 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.302 18.368 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.982 17.922 -0.689 1.00 0.00 H new ATOM 304 N ALA A 21 5.197 13.383 -0.368 1.00 0.00 N ATOM 305 CA ALA A 21 5.463 11.941 -0.046 1.00 0.00 C ATOM 306 C ALA A 21 5.354 11.086 -1.328 1.00 0.00 C ATOM 307 O ALA A 21 6.225 10.286 -1.614 1.00 0.00 O ATOM 308 CB ALA A 21 4.435 11.465 0.986 1.00 0.00 C ATOM 0 H ALA A 21 4.312 13.551 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 21 6.469 11.835 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.619 10.418 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.522 12.067 1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.431 11.571 0.575 1.00 0.00 H new ATOM 314 N CYS A 22 4.281 11.251 -2.087 1.00 0.00 N ATOM 315 CA CYS A 22 4.075 10.459 -3.349 1.00 0.00 C ATOM 316 C CYS A 22 3.813 11.418 -4.544 1.00 0.00 C ATOM 317 O CYS A 22 4.022 12.619 -4.442 1.00 0.00 O ATOM 318 CB CYS A 22 2.869 9.524 -3.129 1.00 0.00 C ATOM 319 SG CYS A 22 3.352 8.149 -2.053 1.00 0.00 S ATOM 0 H CYS A 22 3.532 11.911 -1.878 1.00 0.00 H new ATOM 0 HA CYS A 22 4.964 9.872 -3.582 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.044 10.078 -2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.513 9.142 -4.086 1.00 0.00 H new ATOM 0 HG CYS A 22 2.332 7.364 -1.868 1.00 0.00 H new ATOM 325 N ASN A 23 3.365 10.889 -5.678 1.00 0.00 N ATOM 326 CA ASN A 23 3.079 11.750 -6.882 1.00 0.00 C ATOM 327 C ASN A 23 2.314 10.935 -7.951 1.00 0.00 C ATOM 328 O ASN A 23 1.206 11.283 -8.322 1.00 0.00 O ATOM 329 CB ASN A 23 4.406 12.284 -7.469 1.00 0.00 C ATOM 330 CG ASN A 23 4.168 13.232 -8.667 1.00 0.00 C ATOM 331 OD1 ASN A 23 5.038 13.387 -9.493 1.00 0.00 O ATOM 332 ND2 ASN A 23 3.056 13.906 -8.797 1.00 0.00 N ATOM 0 H ASN A 23 3.187 9.894 -5.815 1.00 0.00 H new ATOM 0 HA ASN A 23 2.459 12.593 -6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.959 12.812 -6.693 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.025 11.445 -7.787 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.936 14.546 -9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.308 13.792 -8.113 1.00 0.00 H new ATOM 339 N ARG A 24 2.913 9.868 -8.453 1.00 0.00 N ATOM 340 CA ARG A 24 2.258 9.025 -9.511 1.00 0.00 C ATOM 341 C ARG A 24 2.964 7.646 -9.560 1.00 0.00 C ATOM 342 O ARG A 24 3.955 7.476 -10.252 1.00 0.00 O ATOM 343 CB ARG A 24 2.389 9.760 -10.863 1.00 0.00 C ATOM 344 CG ARG A 24 1.275 9.322 -11.826 1.00 0.00 C ATOM 345 CD ARG A 24 0.282 10.476 -12.035 1.00 0.00 C ATOM 346 NE ARG A 24 0.930 11.563 -12.846 1.00 0.00 N ATOM 347 CZ ARG A 24 0.894 11.534 -14.143 1.00 0.00 C ATOM 348 NH1 ARG A 24 -0.145 11.997 -14.771 1.00 0.00 N ATOM 349 NH2 ARG A 24 1.900 11.047 -14.803 1.00 0.00 N ATOM 0 H ARG A 24 3.838 9.546 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 24 1.202 8.866 -9.291 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.337 10.837 -10.704 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.363 9.549 -11.305 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.705 9.023 -12.782 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.756 8.452 -11.424 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.611 10.112 -12.544 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.039 10.871 -11.071 1.00 0.00 H new ATOM 0 HE ARG A 24 1.403 12.332 -12.372 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.929 12.382 -14.245 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.176 11.976 -15.790 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.714 10.690 -14.302 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.877 11.022 -15.822 1.00 0.00 H new ATOM 363 N CYS A 25 2.478 6.675 -8.800 1.00 0.00 N ATOM 364 CA CYS A 25 3.142 5.320 -8.773 1.00 0.00 C ATOM 365 C CYS A 25 2.112 4.181 -8.922 1.00 0.00 C ATOM 366 O CYS A 25 2.120 3.461 -9.911 1.00 0.00 O ATOM 367 CB CYS A 25 3.903 5.162 -7.443 1.00 0.00 C ATOM 368 SG CYS A 25 5.210 3.921 -7.629 1.00 0.00 S ATOM 0 H CYS A 25 1.656 6.764 -8.202 1.00 0.00 H new ATOM 0 HA CYS A 25 3.832 5.256 -9.615 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.335 6.117 -7.145 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.215 4.863 -6.653 1.00 0.00 H new ATOM 0 HG CYS A 25 5.850 3.793 -6.505 1.00 0.00 H new ATOM 374 N HIS A 26 1.238 4.007 -7.944 1.00 0.00 N ATOM 375 CA HIS A 26 0.211 2.899 -7.988 1.00 0.00 C ATOM 376 C HIS A 26 -0.998 3.240 -8.911 1.00 0.00 C ATOM 377 O HIS A 26 -1.966 2.496 -8.946 1.00 0.00 O ATOM 378 CB HIS A 26 -0.276 2.612 -6.548 1.00 0.00 C ATOM 379 CG HIS A 26 0.901 2.270 -5.664 1.00 0.00 C ATOM 380 ND1 HIS A 26 1.141 2.920 -4.464 1.00 0.00 N ATOM 381 CD2 HIS A 26 1.930 1.377 -5.817 1.00 0.00 C ATOM 382 CE1 HIS A 26 2.281 2.415 -3.952 1.00 0.00 C ATOM 383 NE2 HIS A 26 2.801 1.472 -4.738 1.00 0.00 N ATOM 0 H HIS A 26 1.193 4.592 -7.109 1.00 0.00 H new ATOM 0 HA HIS A 26 0.685 2.014 -8.413 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.799 3.483 -6.152 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.989 1.788 -6.554 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.561 3.647 -4.045 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.046 0.701 -6.651 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.720 2.735 -3.019 1.00 0.00 H new ATOM 391 N CYS A 27 -0.944 4.334 -9.677 1.00 0.00 N ATOM 392 CA CYS A 27 -2.075 4.692 -10.604 1.00 0.00 C ATOM 393 C CYS A 27 -2.110 3.680 -11.777 1.00 0.00 C ATOM 394 O CYS A 27 -1.366 3.798 -12.744 1.00 0.00 O ATOM 395 CB CYS A 27 -1.878 6.128 -11.129 1.00 0.00 C ATOM 396 SG CYS A 27 -3.471 6.803 -11.670 1.00 0.00 S ATOM 0 H CYS A 27 -0.160 4.986 -9.691 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.024 4.647 -10.070 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.452 6.757 -10.347 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.171 6.129 -11.959 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.302 8.015 -12.110 1.00 0.00 H new ATOM 402 N LYS A 28 -2.959 2.676 -11.656 1.00 0.00 N ATOM 403 CA LYS A 28 -3.103 1.593 -12.707 1.00 0.00 C ATOM 404 C LYS A 28 -4.180 0.558 -12.272 1.00 0.00 C ATOM 405 O LYS A 28 -4.941 0.083 -13.096 1.00 0.00 O ATOM 406 CB LYS A 28 -1.749 0.877 -12.988 1.00 0.00 C ATOM 407 CG LYS A 28 -1.103 0.303 -11.703 1.00 0.00 C ATOM 408 CD LYS A 28 0.031 1.219 -11.204 1.00 0.00 C ATOM 409 CE LYS A 28 1.200 1.236 -12.197 1.00 0.00 C ATOM 410 NZ LYS A 28 1.519 2.654 -12.551 1.00 0.00 N ATOM 0 H LYS A 28 -3.576 2.556 -10.852 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.421 2.073 -13.633 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.910 0.069 -13.702 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.059 1.581 -13.454 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.860 0.198 -10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.710 -0.694 -11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.348 2.231 -11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.381 0.874 -10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.073 0.752 -11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.940 0.674 -13.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.241 2.671 -13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.658 3.129 -12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.880 3.149 -11.710 1.00 0.00 H new ATOM 424 N LYS A 29 -4.259 0.225 -10.988 1.00 0.00 N ATOM 425 CA LYS A 29 -5.293 -0.750 -10.493 1.00 0.00 C ATOM 426 C LYS A 29 -5.737 -0.365 -9.060 1.00 0.00 C ATOM 427 O LYS A 29 -5.173 0.531 -8.445 1.00 0.00 O ATOM 428 CB LYS A 29 -4.716 -2.196 -10.554 1.00 0.00 C ATOM 429 CG LYS A 29 -3.942 -2.584 -9.269 1.00 0.00 C ATOM 430 CD LYS A 29 -3.985 -4.112 -9.078 1.00 0.00 C ATOM 431 CE LYS A 29 -5.330 -4.543 -8.462 1.00 0.00 C ATOM 432 NZ LYS A 29 -5.207 -4.653 -6.971 1.00 0.00 N ATOM 0 H LYS A 29 -3.644 0.594 -10.263 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.176 -0.714 -11.131 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.532 -2.902 -10.710 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.052 -2.282 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.908 -2.246 -9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.382 -2.087 -8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.843 -4.608 -10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.165 -4.427 -8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.104 -3.819 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.639 -5.501 -8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.457 -5.617 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.228 -4.446 -6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.850 -3.973 -6.518 1.00 0.00 H new ATOM 446 N CYS A 30 -6.734 -1.046 -8.524 1.00 0.00 N ATOM 447 CA CYS A 30 -7.213 -0.741 -7.128 1.00 0.00 C ATOM 448 C CYS A 30 -6.189 -1.284 -6.093 1.00 0.00 C ATOM 449 O CYS A 30 -6.353 -2.360 -5.534 1.00 0.00 O ATOM 450 CB CYS A 30 -8.617 -1.353 -6.899 1.00 0.00 C ATOM 451 SG CYS A 30 -8.637 -3.120 -7.324 1.00 0.00 S ATOM 0 H CYS A 30 -7.236 -1.799 -8.994 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.293 0.338 -7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.908 -1.223 -5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.352 -0.822 -7.504 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.861 -3.771 -6.509 1.00 0.00 H new ATOM 457 N CYS A 31 -5.111 -0.551 -5.871 1.00 0.00 N ATOM 458 CA CYS A 31 -4.045 -1.007 -4.903 1.00 0.00 C ATOM 459 C CYS A 31 -3.189 0.187 -4.388 1.00 0.00 C ATOM 460 O CYS A 31 -2.019 0.019 -4.078 1.00 0.00 O ATOM 461 CB CYS A 31 -3.142 -2.034 -5.615 1.00 0.00 C ATOM 462 SG CYS A 31 -2.990 -3.520 -4.591 1.00 0.00 S ATOM 0 H CYS A 31 -4.924 0.346 -6.320 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.527 -1.459 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.563 -2.291 -6.587 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.157 -1.603 -5.797 1.00 0.00 H new ATOM 0 HG CYS A 31 -2.230 -4.386 -5.193 1.00 0.00 H new ATOM 468 N TYR A 32 -3.754 1.385 -4.272 1.00 0.00 N ATOM 469 CA TYR A 32 -2.943 2.557 -3.767 1.00 0.00 C ATOM 470 C TYR A 32 -2.720 2.482 -2.226 1.00 0.00 C ATOM 471 O TYR A 32 -1.859 3.178 -1.721 1.00 0.00 O ATOM 472 CB TYR A 32 -3.614 3.896 -4.158 1.00 0.00 C ATOM 473 CG TYR A 32 -2.661 4.725 -5.002 1.00 0.00 C ATOM 474 CD1 TYR A 32 -1.516 5.291 -4.420 1.00 0.00 C ATOM 475 CD2 TYR A 32 -2.919 4.927 -6.365 1.00 0.00 C ATOM 476 CE1 TYR A 32 -0.633 6.052 -5.201 1.00 0.00 C ATOM 477 CE2 TYR A 32 -2.037 5.691 -7.140 1.00 0.00 C ATOM 478 CZ TYR A 32 -0.894 6.251 -6.559 1.00 0.00 C ATOM 479 OH TYR A 32 -0.022 6.996 -7.329 1.00 0.00 O ATOM 0 H TYR A 32 -4.725 1.596 -4.502 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.964 2.507 -4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.532 3.704 -4.713 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.893 4.448 -3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.314 5.141 -3.370 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.798 4.493 -6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.249 6.484 -4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -2.240 5.848 -8.189 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.352 7.035 -8.251 1.00 0.00 H new ATOM 489 N HIS A 33 -3.452 1.630 -1.483 1.00 0.00 N ATOM 490 CA HIS A 33 -3.230 1.499 0.023 1.00 0.00 C ATOM 491 C HIS A 33 -1.752 1.175 0.287 1.00 0.00 C ATOM 492 O HIS A 33 -1.123 1.927 0.993 1.00 0.00 O ATOM 493 CB HIS A 33 -4.174 0.456 0.675 1.00 0.00 C ATOM 494 CG HIS A 33 -4.221 -0.827 -0.110 1.00 0.00 C ATOM 495 ND1 HIS A 33 -5.186 -1.091 -1.061 1.00 0.00 N ATOM 496 CD2 HIS A 33 -3.373 -1.901 -0.130 1.00 0.00 C ATOM 497 CE1 HIS A 33 -4.893 -2.275 -1.619 1.00 0.00 C ATOM 498 NE2 HIS A 33 -3.796 -2.808 -1.087 1.00 0.00 N ATOM 0 H HIS A 33 -4.185 1.028 -1.858 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.478 2.451 0.492 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.838 0.248 1.691 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.178 0.873 0.750 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.979 -0.494 -1.297 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.507 -2.022 0.503 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.475 -2.738 -2.402 1.00 0.00 H new ATOM 506 N CYS A 34 -1.197 0.125 -0.341 1.00 0.00 N ATOM 507 CA CYS A 34 0.267 -0.280 -0.223 1.00 0.00 C ATOM 508 C CYS A 34 0.773 -0.470 1.240 1.00 0.00 C ATOM 509 O CYS A 34 1.339 -1.493 1.576 1.00 0.00 O ATOM 510 CB CYS A 34 1.131 0.775 -0.934 1.00 0.00 C ATOM 511 SG CYS A 34 2.715 0.038 -1.415 1.00 0.00 S ATOM 0 H CYS A 34 -1.731 -0.489 -0.956 1.00 0.00 H new ATOM 0 HA CYS A 34 0.355 -1.260 -0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.611 1.152 -1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.300 1.626 -0.275 1.00 0.00 H new ATOM 0 HG CYS A 34 3.444 0.930 -2.018 1.00 0.00 H new ATOM 517 N GLN A 35 0.612 0.530 2.066 1.00 0.00 N ATOM 518 CA GLN A 35 1.100 0.532 3.478 1.00 0.00 C ATOM 519 C GLN A 35 0.031 0.040 4.480 1.00 0.00 C ATOM 520 O GLN A 35 0.064 0.408 5.635 1.00 0.00 O ATOM 521 CB GLN A 35 1.442 2.000 3.827 1.00 0.00 C ATOM 522 CG GLN A 35 2.309 2.652 2.732 1.00 0.00 C ATOM 523 CD GLN A 35 3.710 2.947 3.282 1.00 0.00 C ATOM 524 OE1 GLN A 35 4.443 2.046 3.622 1.00 0.00 O ATOM 525 NE2 GLN A 35 4.122 4.174 3.379 1.00 0.00 N ATOM 0 H GLN A 35 0.135 1.392 1.802 1.00 0.00 H new ATOM 0 HA GLN A 35 1.954 -0.142 3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.521 2.570 3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.970 2.035 4.780 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.380 1.989 1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.842 3.575 2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.512 4.941 3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.056 4.372 3.739 1.00 0.00 H new ATOM 534 N VAL A 36 -0.918 -0.768 4.083 1.00 0.00 N ATOM 535 CA VAL A 36 -1.983 -1.219 5.057 1.00 0.00 C ATOM 536 C VAL A 36 -1.471 -2.307 6.050 1.00 0.00 C ATOM 537 O VAL A 36 -2.159 -3.270 6.299 1.00 0.00 O ATOM 538 CB VAL A 36 -3.201 -1.723 4.241 1.00 0.00 C ATOM 539 CG1 VAL A 36 -2.836 -2.952 3.402 1.00 0.00 C ATOM 540 CG2 VAL A 36 -4.351 -2.048 5.200 1.00 0.00 C ATOM 0 H VAL A 36 -1.010 -1.138 3.137 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.272 -0.373 5.680 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.512 -0.938 3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.710 -3.282 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.036 -2.694 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.502 -3.755 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.210 -2.403 4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.034 -2.822 5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.628 -1.151 5.753 1.00 0.00 H new ATOM 550 N CYS A 37 -0.274 -2.186 6.621 1.00 0.00 N ATOM 551 CA CYS A 37 0.276 -3.232 7.589 1.00 0.00 C ATOM 552 C CYS A 37 0.607 -4.589 6.876 1.00 0.00 C ATOM 553 O CYS A 37 1.570 -5.217 7.248 1.00 0.00 O ATOM 554 CB CYS A 37 -0.702 -3.463 8.761 1.00 0.00 C ATOM 555 SG CYS A 37 -0.272 -2.359 10.131 1.00 0.00 S ATOM 0 H CYS A 37 0.354 -1.399 6.457 1.00 0.00 H new ATOM 0 HA CYS A 37 1.212 -2.837 7.983 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.726 -3.276 8.437 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.656 -4.502 9.088 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.916 -1.237 10.002 1.00 0.00 H new ATOM 561 N PHE A 38 -0.184 -5.005 5.866 1.00 0.00 N ATOM 562 CA PHE A 38 -0.025 -6.268 5.031 1.00 0.00 C ATOM 563 C PHE A 38 0.182 -7.617 5.808 1.00 0.00 C ATOM 564 O PHE A 38 -0.435 -8.603 5.449 1.00 0.00 O ATOM 565 CB PHE A 38 1.027 -6.052 3.940 1.00 0.00 C ATOM 566 CG PHE A 38 2.386 -6.046 4.529 1.00 0.00 C ATOM 567 CD1 PHE A 38 3.019 -7.255 4.757 1.00 0.00 C ATOM 568 CD2 PHE A 38 2.995 -4.840 4.843 1.00 0.00 C ATOM 569 CE1 PHE A 38 4.295 -7.278 5.309 1.00 0.00 C ATOM 570 CE2 PHE A 38 4.274 -4.845 5.403 1.00 0.00 C ATOM 571 CZ PHE A 38 4.931 -6.067 5.634 1.00 0.00 C ATOM 0 H PHE A 38 -0.997 -4.461 5.577 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.004 -6.421 4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.951 -6.841 3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.841 -5.108 3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.522 -8.181 4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.485 -3.907 4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.794 -8.219 5.487 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.757 -3.913 5.658 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.923 -6.075 6.061 1.00 0.00 H new ATOM 581 N ILE A 39 1.026 -7.683 6.830 1.00 0.00 N ATOM 582 CA ILE A 39 1.266 -8.958 7.612 1.00 0.00 C ATOM 583 C ILE A 39 1.833 -10.051 6.673 1.00 0.00 C ATOM 584 O ILE A 39 3.043 -10.202 6.597 1.00 0.00 O ATOM 585 CB ILE A 39 -0.042 -9.411 8.330 1.00 0.00 C ATOM 586 CG1 ILE A 39 -0.448 -8.361 9.376 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.178 -10.744 9.057 1.00 0.00 C ATOM 588 CD1 ILE A 39 -1.030 -7.128 8.686 1.00 0.00 C ATOM 0 H ILE A 39 1.570 -6.886 7.161 1.00 0.00 H new ATOM 0 HA ILE A 39 2.007 -8.776 8.390 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.821 -9.525 7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.183 -8.784 10.061 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.419 -8.078 9.973 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.745 -11.045 9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.469 -11.508 8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.967 -10.627 9.800 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.314 -6.391 9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.283 -6.697 8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.909 -7.415 8.109 1.00 0.00 H new ATOM 600 N LYS A 40 0.988 -10.798 5.957 1.00 0.00 N ATOM 601 CA LYS A 40 1.493 -11.863 5.004 1.00 0.00 C ATOM 602 C LYS A 40 0.325 -12.643 4.315 1.00 0.00 C ATOM 603 O LYS A 40 0.388 -13.857 4.180 1.00 0.00 O ATOM 604 CB LYS A 40 2.467 -12.861 5.708 1.00 0.00 C ATOM 605 CG LYS A 40 2.040 -13.180 7.157 1.00 0.00 C ATOM 606 CD LYS A 40 3.176 -13.924 7.890 1.00 0.00 C ATOM 607 CE LYS A 40 4.438 -13.042 8.015 1.00 0.00 C ATOM 608 NZ LYS A 40 4.133 -11.779 8.766 1.00 0.00 N ATOM 0 H LYS A 40 -0.028 -10.711 5.996 1.00 0.00 H new ATOM 0 HA LYS A 40 2.047 -11.335 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.512 -13.786 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.472 -12.440 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.798 -12.258 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.137 -13.791 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.838 -14.221 8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.421 -14.839 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.224 -13.595 8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.816 -12.798 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.010 -11.398 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.722 -11.079 8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.455 -11.983 9.528 1.00 0.00 H new ATOM 622 N LYS A 41 -0.722 -11.963 3.841 1.00 0.00 N ATOM 623 CA LYS A 41 -1.837 -12.706 3.116 1.00 0.00 C ATOM 624 C LYS A 41 -2.684 -11.806 2.185 1.00 0.00 C ATOM 625 O LYS A 41 -3.078 -12.251 1.120 1.00 0.00 O ATOM 626 CB LYS A 41 -2.766 -13.475 4.092 1.00 0.00 C ATOM 627 CG LYS A 41 -3.520 -12.544 5.065 1.00 0.00 C ATOM 628 CD LYS A 41 -2.788 -12.534 6.421 1.00 0.00 C ATOM 629 CE LYS A 41 -3.330 -13.653 7.327 1.00 0.00 C ATOM 630 NZ LYS A 41 -2.587 -14.932 7.070 1.00 0.00 N ATOM 0 H LYS A 41 -0.850 -10.954 3.922 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.317 -13.426 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.489 -14.053 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.172 -14.187 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.570 -11.534 4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.547 -12.887 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.718 -12.669 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.920 -11.567 6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.225 -13.367 8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.394 -13.798 7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.590 -15.514 7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.050 -15.453 6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.606 -14.716 6.802 1.00 0.00 H new ATOM 644 N GLY A 42 -3.014 -10.588 2.577 1.00 0.00 N ATOM 645 CA GLY A 42 -3.885 -9.715 1.708 1.00 0.00 C ATOM 646 C GLY A 42 -5.310 -9.782 2.253 1.00 0.00 C ATOM 647 O GLY A 42 -5.859 -8.765 2.558 1.00 0.00 O ATOM 0 H GLY A 42 -2.719 -10.163 3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.522 -8.687 1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.856 -10.057 0.673 1.00 0.00 H new ATOM 651 N LEU A 43 -5.860 -10.996 2.416 1.00 0.00 N ATOM 652 CA LEU A 43 -7.252 -11.265 3.009 1.00 0.00 C ATOM 653 C LEU A 43 -8.219 -10.031 2.975 1.00 0.00 C ATOM 654 O LEU A 43 -8.277 -9.327 1.986 1.00 0.00 O ATOM 655 CB LEU A 43 -7.007 -11.827 4.465 1.00 0.00 C ATOM 656 CG LEU A 43 -6.787 -10.761 5.620 1.00 0.00 C ATOM 657 CD1 LEU A 43 -5.816 -11.313 6.619 1.00 0.00 C ATOM 658 CD2 LEU A 43 -6.238 -9.406 5.150 1.00 0.00 C ATOM 0 H LEU A 43 -5.374 -11.852 2.148 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.784 -11.991 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.860 -12.449 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.134 -12.479 4.434 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.777 -10.581 6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.660 -10.585 7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.214 -12.235 7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.866 -11.521 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.121 -8.744 6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.271 -9.552 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.932 -8.959 4.439 1.00 0.00 H new ATOM 670 N GLY A 44 -8.955 -9.800 4.070 1.00 0.00 N ATOM 671 CA GLY A 44 -9.879 -8.657 4.292 1.00 0.00 C ATOM 672 C GLY A 44 -9.826 -7.564 3.235 1.00 0.00 C ATOM 673 O GLY A 44 -10.801 -7.304 2.555 1.00 0.00 O ATOM 0 H GLY A 44 -8.928 -10.431 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.898 -9.040 4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.655 -8.213 5.262 1.00 0.00 H new ATOM 677 N ILE A 45 -8.691 -6.914 3.151 1.00 0.00 N ATOM 678 CA ILE A 45 -8.490 -5.795 2.186 1.00 0.00 C ATOM 679 C ILE A 45 -7.084 -5.888 1.531 1.00 0.00 C ATOM 680 O ILE A 45 -6.953 -5.714 0.333 1.00 0.00 O ATOM 681 CB ILE A 45 -8.667 -4.441 2.930 1.00 0.00 C ATOM 682 CG1 ILE A 45 -7.706 -4.310 4.122 1.00 0.00 C ATOM 683 CG2 ILE A 45 -10.083 -4.336 3.489 1.00 0.00 C ATOM 684 CD1 ILE A 45 -6.381 -3.714 3.672 1.00 0.00 C ATOM 0 H ILE A 45 -7.876 -7.121 3.728 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.232 -5.863 1.390 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.460 -3.656 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.153 -3.679 4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.538 -5.289 4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.199 -3.385 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.802 -4.393 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.260 -5.155 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.711 -3.628 4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.928 -4.360 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.553 -2.726 3.245 1.00 0.00 H new ATOM 696 N SER A 46 -6.043 -6.145 2.326 1.00 0.00 N ATOM 697 CA SER A 46 -4.619 -6.247 1.816 1.00 0.00 C ATOM 698 C SER A 46 -3.622 -6.392 3.000 1.00 0.00 C ATOM 699 O SER A 46 -2.557 -5.793 3.001 1.00 0.00 O ATOM 700 CB SER A 46 -4.282 -4.976 1.032 1.00 0.00 C ATOM 701 OG SER A 46 -4.145 -5.331 -0.338 1.00 0.00 O ATOM 0 H SER A 46 -6.130 -6.291 3.332 1.00 0.00 H new ATOM 0 HA SER A 46 -4.534 -7.125 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.068 -4.231 1.156 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.360 -4.531 1.405 1.00 0.00 H new ATOM 0 HG SER A 46 -4.222 -4.527 -0.893 1.00 0.00 H new ATOM 707 N TYR A 47 -3.960 -7.168 4.015 1.00 0.00 N ATOM 708 CA TYR A 47 -3.046 -7.298 5.205 1.00 0.00 C ATOM 709 C TYR A 47 -3.396 -8.506 6.127 1.00 0.00 C ATOM 710 O TYR A 47 -3.426 -9.610 5.649 1.00 0.00 O ATOM 711 CB TYR A 47 -3.040 -5.927 5.951 1.00 0.00 C ATOM 712 CG TYR A 47 -4.367 -5.560 6.630 1.00 0.00 C ATOM 713 CD1 TYR A 47 -5.584 -6.098 6.200 1.00 0.00 C ATOM 714 CD2 TYR A 47 -4.349 -4.683 7.719 1.00 0.00 C ATOM 715 CE1 TYR A 47 -6.766 -5.770 6.842 1.00 0.00 C ATOM 716 CE2 TYR A 47 -5.546 -4.352 8.366 1.00 0.00 C ATOM 717 CZ TYR A 47 -6.755 -4.900 7.917 1.00 0.00 C ATOM 718 OH TYR A 47 -7.941 -4.584 8.529 1.00 0.00 O ATOM 0 H TYR A 47 -4.822 -7.711 4.069 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.037 -7.530 4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.254 -5.943 6.706 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.783 -5.143 5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.602 -6.776 5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.415 -4.262 8.060 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.699 -6.195 6.502 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.537 -3.676 9.209 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.688 -4.851 7.953 1.00 0.00 H new ATOM 728 N GLY A 48 -3.623 -8.305 7.431 1.00 0.00 N ATOM 729 CA GLY A 48 -3.982 -9.410 8.381 1.00 0.00 C ATOM 730 C GLY A 48 -5.388 -9.098 8.938 1.00 0.00 C ATOM 731 O GLY A 48 -6.226 -8.576 8.223 1.00 0.00 O ATOM 0 H GLY A 48 -3.568 -7.387 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.976 -10.373 7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.254 -9.473 9.190 1.00 0.00 H new ATOM 735 N ARG A 49 -5.631 -9.374 10.211 1.00 0.00 N ATOM 736 CA ARG A 49 -6.969 -9.067 10.875 1.00 0.00 C ATOM 737 C ARG A 49 -8.150 -9.879 10.286 1.00 0.00 C ATOM 738 O ARG A 49 -8.686 -10.764 10.933 1.00 0.00 O ATOM 739 CB ARG A 49 -7.296 -7.556 10.738 1.00 0.00 C ATOM 740 CG ARG A 49 -6.859 -6.817 12.014 1.00 0.00 C ATOM 741 CD ARG A 49 -6.417 -5.376 11.687 1.00 0.00 C ATOM 742 NE ARG A 49 -7.580 -4.514 11.238 1.00 0.00 N ATOM 743 CZ ARG A 49 -8.815 -4.751 11.596 1.00 0.00 C ATOM 744 NH1 ARG A 49 -9.136 -4.806 12.854 1.00 0.00 N ATOM 745 NH2 ARG A 49 -9.718 -4.918 10.684 1.00 0.00 N ATOM 0 H ARG A 49 -4.949 -9.807 10.833 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.859 -9.354 11.921 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.784 -7.140 9.871 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.365 -7.418 10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.682 -6.797 12.728 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.039 -7.355 12.489 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.954 -4.930 12.567 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.659 -5.398 10.904 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.391 -3.716 10.631 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.423 -4.664 13.569 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.101 -4.991 13.126 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.463 -4.864 9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.685 -5.103 10.951 1.00 0.00 H new ATOM 759 N LYS A 50 -8.579 -9.528 9.091 1.00 0.00 N ATOM 760 CA LYS A 50 -9.754 -10.185 8.428 1.00 0.00 C ATOM 761 C LYS A 50 -9.511 -11.683 8.117 1.00 0.00 C ATOM 762 O LYS A 50 -8.390 -12.164 8.105 1.00 0.00 O ATOM 763 CB LYS A 50 -10.023 -9.435 7.125 1.00 0.00 C ATOM 764 CG LYS A 50 -10.891 -8.189 7.377 1.00 0.00 C ATOM 765 CD LYS A 50 -12.291 -8.387 6.753 1.00 0.00 C ATOM 766 CE LYS A 50 -12.569 -7.306 5.685 1.00 0.00 C ATOM 767 NZ LYS A 50 -13.151 -7.926 4.442 1.00 0.00 N ATOM 0 H LYS A 50 -8.148 -8.791 8.533 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.604 -10.143 9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.078 -9.139 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.525 -10.095 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.983 -8.010 8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.413 -7.309 6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.357 -9.377 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.052 -8.340 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.259 -6.562 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.644 -6.784 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.501 -7.778 3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.287 -8.946 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.067 -7.483 4.229 1.00 0.00 H new ATOM 781 N LYS A 51 -10.589 -12.408 7.863 1.00 0.00 N ATOM 782 CA LYS A 51 -10.500 -13.879 7.545 1.00 0.00 C ATOM 783 C LYS A 51 -11.315 -14.216 6.272 1.00 0.00 C ATOM 784 O LYS A 51 -10.824 -14.898 5.391 1.00 0.00 O ATOM 785 CB LYS A 51 -11.060 -14.683 8.733 1.00 0.00 C ATOM 786 CG LYS A 51 -10.010 -14.778 9.850 1.00 0.00 C ATOM 787 CD LYS A 51 -9.455 -16.210 9.925 1.00 0.00 C ATOM 788 CE LYS A 51 -10.307 -17.058 10.878 1.00 0.00 C ATOM 789 NZ LYS A 51 -9.790 -16.914 12.276 1.00 0.00 N ATOM 0 H LYS A 51 -11.538 -12.035 7.863 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.456 -14.139 7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.963 -14.204 9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.343 -15.683 8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.200 -14.074 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.456 -14.501 10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.451 -16.659 8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.421 -16.190 10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.349 -16.741 10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.278 -18.105 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.368 -17.489 12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.802 -17.237 12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.840 -15.916 12.563 1.00 0.00 H new ATOM 803 N ARG A 52 -12.560 -13.761 6.187 1.00 0.00 N ATOM 804 CA ARG A 52 -13.427 -14.061 4.992 1.00 0.00 C ATOM 805 C ARG A 52 -13.981 -12.752 4.360 1.00 0.00 C ATOM 806 O ARG A 52 -13.604 -11.647 4.744 1.00 0.00 O ATOM 807 CB ARG A 52 -14.594 -14.959 5.463 1.00 0.00 C ATOM 808 CG ARG A 52 -14.777 -16.147 4.507 1.00 0.00 C ATOM 809 CD ARG A 52 -13.911 -17.324 4.966 1.00 0.00 C ATOM 810 NE ARG A 52 -14.188 -18.513 4.094 1.00 0.00 N ATOM 811 CZ ARG A 52 -14.638 -19.619 4.607 1.00 0.00 C ATOM 812 NH1 ARG A 52 -15.915 -19.777 4.777 1.00 0.00 N ATOM 813 NH2 ARG A 52 -13.808 -20.558 4.943 1.00 0.00 N ATOM 0 H ARG A 52 -13.010 -13.191 6.903 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.836 -14.568 4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.397 -15.323 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.514 -14.376 5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.825 -16.445 4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.502 -15.855 3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.856 -17.057 4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.126 -17.564 6.007 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.022 -18.453 3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.561 -19.035 4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.273 -20.643 5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.806 -20.427 4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.157 -21.427 5.346 1.00 0.00 H new ATOM 827 N ARG A 53 -14.875 -12.881 3.387 1.00 0.00 N ATOM 828 CA ARG A 53 -15.486 -11.679 2.699 1.00 0.00 C ATOM 829 C ARG A 53 -16.543 -10.989 3.611 1.00 0.00 C ATOM 830 O ARG A 53 -16.751 -11.385 4.747 1.00 0.00 O ATOM 831 CB ARG A 53 -16.135 -12.132 1.365 1.00 0.00 C ATOM 832 CG ARG A 53 -17.326 -13.086 1.620 1.00 0.00 C ATOM 833 CD ARG A 53 -18.647 -12.320 1.482 1.00 0.00 C ATOM 834 NE ARG A 53 -19.745 -13.274 1.125 1.00 0.00 N ATOM 835 CZ ARG A 53 -20.245 -13.284 -0.072 1.00 0.00 C ATOM 836 NH1 ARG A 53 -21.122 -12.388 -0.410 1.00 0.00 N ATOM 837 NH2 ARG A 53 -19.868 -14.192 -0.920 1.00 0.00 N ATOM 0 H ARG A 53 -15.209 -13.779 3.038 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.701 -10.951 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.477 -11.259 0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.390 -12.633 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -17.299 -13.913 0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -17.249 -13.519 2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.883 -11.811 2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.555 -11.551 0.714 1.00 0.00 H new ATOM 0 HE ARG A 53 -20.102 -13.921 1.828 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -21.415 -11.681 0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -21.518 -12.391 -1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.181 -14.894 -0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.259 -14.204 -1.862 1.00 0.00 H new ATOM 851 N GLN A 54 -17.208 -9.957 3.110 1.00 0.00 N ATOM 852 CA GLN A 54 -18.252 -9.227 3.920 1.00 0.00 C ATOM 853 C GLN A 54 -19.576 -9.086 3.121 1.00 0.00 C ATOM 854 O GLN A 54 -19.675 -9.502 1.975 1.00 0.00 O ATOM 855 CB GLN A 54 -17.715 -7.830 4.277 1.00 0.00 C ATOM 856 CG GLN A 54 -16.736 -7.932 5.457 1.00 0.00 C ATOM 857 CD GLN A 54 -16.123 -6.557 5.746 1.00 0.00 C ATOM 858 OE1 GLN A 54 -15.489 -5.969 4.894 1.00 0.00 O ATOM 859 NE2 GLN A 54 -16.284 -6.010 6.913 1.00 0.00 N ATOM 0 H GLN A 54 -17.069 -9.590 2.169 1.00 0.00 H new ATOM 0 HA GLN A 54 -18.460 -9.797 4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -17.214 -7.392 3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.542 -7.168 4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -17.256 -8.301 6.341 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -15.949 -8.650 5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -16.815 -6.496 7.635 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.879 -5.094 7.107 1.00 0.00 H new ATOM 868 N ARG A 55 -20.589 -8.481 3.728 1.00 0.00 N ATOM 869 CA ARG A 55 -21.922 -8.281 3.033 1.00 0.00 C ATOM 870 C ARG A 55 -21.989 -6.902 2.302 1.00 0.00 C ATOM 871 O ARG A 55 -23.070 -6.379 2.071 1.00 0.00 O ATOM 872 CB ARG A 55 -23.064 -8.391 4.078 1.00 0.00 C ATOM 873 CG ARG A 55 -22.889 -7.342 5.197 1.00 0.00 C ATOM 874 CD ARG A 55 -24.235 -7.072 5.880 1.00 0.00 C ATOM 875 NE ARG A 55 -24.295 -7.806 7.189 1.00 0.00 N ATOM 876 CZ ARG A 55 -25.438 -8.125 7.708 1.00 0.00 C ATOM 877 NH1 ARG A 55 -26.001 -9.247 7.382 1.00 0.00 N ATOM 878 NH2 ARG A 55 -26.009 -7.319 8.552 1.00 0.00 N ATOM 0 H ARG A 55 -20.549 -8.116 4.679 1.00 0.00 H new ATOM 0 HA ARG A 55 -22.036 -9.057 2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -24.027 -8.248 3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -23.072 -9.392 4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -22.165 -7.698 5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -22.492 -6.417 4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -24.361 -6.002 6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -25.052 -7.393 5.234 1.00 0.00 H new ATOM 0 HE ARG A 55 -23.431 -8.054 7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -25.544 -9.874 6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -26.901 -9.503 7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -25.557 -6.440 8.803 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -26.909 -7.566 8.964 1.00 0.00 H new ATOM 892 N ARG A 56 -20.846 -6.328 1.919 1.00 0.00 N ATOM 893 CA ARG A 56 -20.808 -4.997 1.192 1.00 0.00 C ATOM 894 C ARG A 56 -21.389 -3.859 2.085 1.00 0.00 C ATOM 895 O ARG A 56 -21.526 -4.012 3.292 1.00 0.00 O ATOM 896 CB ARG A 56 -21.598 -5.089 -0.139 1.00 0.00 C ATOM 897 CG ARG A 56 -21.130 -6.285 -0.989 1.00 0.00 C ATOM 898 CD ARG A 56 -22.323 -7.203 -1.292 1.00 0.00 C ATOM 899 NE ARG A 56 -23.204 -6.567 -2.333 1.00 0.00 N ATOM 900 CZ ARG A 56 -24.328 -6.005 -1.994 1.00 0.00 C ATOM 901 NH1 ARG A 56 -25.393 -6.731 -1.851 1.00 0.00 N ATOM 902 NH2 ARG A 56 -24.378 -4.721 -1.810 1.00 0.00 N ATOM 0 H ARG A 56 -19.927 -6.737 2.085 1.00 0.00 H new ATOM 0 HA ARG A 56 -19.768 -4.760 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -22.663 -5.187 0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -21.469 -4.166 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -20.686 -5.931 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -20.357 -6.841 -0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -21.968 -8.171 -1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -22.894 -7.385 -0.381 1.00 0.00 H new ATOM 0 HE ARG A 56 -22.918 -6.576 -3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -25.348 -7.738 -2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -26.276 -6.295 -1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -23.538 -4.155 -1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -25.257 -4.278 -1.544 1.00 0.00 H new ATOM 916 N ARG A 57 -21.705 -2.716 1.493 1.00 0.00 N ATOM 917 CA ARG A 57 -22.268 -1.542 2.254 1.00 0.00 C ATOM 918 C ARG A 57 -22.740 -0.455 1.245 1.00 0.00 C ATOM 919 O ARG A 57 -22.320 -0.477 0.096 1.00 0.00 O ATOM 920 CB ARG A 57 -21.198 -0.963 3.216 1.00 0.00 C ATOM 921 CG ARG A 57 -19.946 -0.482 2.449 1.00 0.00 C ATOM 922 CD ARG A 57 -18.832 -1.542 2.484 1.00 0.00 C ATOM 923 NE ARG A 57 -18.451 -1.859 3.903 1.00 0.00 N ATOM 924 CZ ARG A 57 -17.999 -3.036 4.213 1.00 0.00 C ATOM 925 NH1 ARG A 57 -18.831 -4.016 4.401 1.00 0.00 N ATOM 926 NH2 ARG A 57 -16.719 -3.223 4.329 1.00 0.00 N ATOM 0 H ARG A 57 -21.592 -2.548 0.493 1.00 0.00 H new ATOM 0 HA ARG A 57 -23.119 -1.870 2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -21.624 -0.131 3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -20.911 -1.723 3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -20.211 -0.263 1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -19.582 0.447 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -19.168 -2.448 1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -17.960 -1.180 1.939 1.00 0.00 H new ATOM 0 HE ARG A 57 -18.548 -1.146 4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -19.834 -3.859 4.305 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.481 -4.943 4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.074 -2.447 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.358 -4.146 4.572 1.00 0.00 H new ATOM 940 N PRO A 58 -23.593 0.474 1.684 1.00 0.00 N ATOM 941 CA PRO A 58 -24.110 1.570 0.802 1.00 0.00 C ATOM 942 C PRO A 58 -23.077 2.732 0.613 1.00 0.00 C ATOM 943 O PRO A 58 -23.441 3.899 0.616 1.00 0.00 O ATOM 944 CB PRO A 58 -25.367 2.047 1.553 1.00 0.00 C ATOM 945 CG PRO A 58 -25.178 1.646 3.035 1.00 0.00 C ATOM 946 CD PRO A 58 -24.133 0.517 3.066 1.00 0.00 C ATOM 0 HA PRO A 58 -24.310 1.229 -0.214 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -25.489 3.126 1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -26.264 1.586 1.139 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -24.842 2.499 3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -26.121 1.311 3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -23.347 0.723 3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -24.585 -0.435 3.346 1.00 0.00 H new ATOM 954 N SER A 59 -21.799 2.410 0.428 1.00 0.00 N ATOM 955 CA SER A 59 -20.708 3.444 0.218 1.00 0.00 C ATOM 956 C SER A 59 -19.345 2.698 0.194 1.00 0.00 C ATOM 957 O SER A 59 -19.016 1.978 1.121 1.00 0.00 O ATOM 958 CB SER A 59 -20.774 4.533 1.326 1.00 0.00 C ATOM 959 OG SER A 59 -19.535 4.672 2.023 1.00 0.00 O ATOM 0 H SER A 59 -21.461 1.448 0.414 1.00 0.00 H new ATOM 0 HA SER A 59 -20.839 3.967 -0.729 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.045 5.489 0.878 1.00 0.00 H new ATOM 0 HB3 SER A 59 -21.561 4.279 2.036 1.00 0.00 H new ATOM 0 HG SER A 59 -19.296 5.621 2.080 1.00 0.00 H new ATOM 965 N GLN A 60 -18.586 2.829 -0.885 1.00 0.00 N ATOM 966 CA GLN A 60 -17.274 2.084 -1.017 1.00 0.00 C ATOM 967 C GLN A 60 -16.228 2.527 0.039 1.00 0.00 C ATOM 968 O GLN A 60 -15.974 1.794 0.982 1.00 0.00 O ATOM 969 CB GLN A 60 -16.712 2.266 -2.445 1.00 0.00 C ATOM 970 CG GLN A 60 -16.108 0.942 -2.942 1.00 0.00 C ATOM 971 CD GLN A 60 -14.652 0.814 -2.473 1.00 0.00 C ATOM 972 OE1 GLN A 60 -13.752 1.293 -3.121 1.00 0.00 O ATOM 973 NE2 GLN A 60 -14.380 0.188 -1.367 1.00 0.00 N ATOM 0 H GLN A 60 -18.820 3.422 -1.682 1.00 0.00 H new ATOM 0 HA GLN A 60 -17.476 1.029 -0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -17.505 2.590 -3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -15.952 3.047 -2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -16.694 0.103 -2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -16.152 0.900 -4.030 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.133 -0.220 -0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.413 0.104 -1.053 1.00 0.00 H new ATOM 982 N GLY A 61 -15.611 3.690 -0.113 1.00 0.00 N ATOM 983 CA GLY A 61 -14.573 4.152 0.876 1.00 0.00 C ATOM 984 C GLY A 61 -13.228 3.468 0.598 1.00 0.00 C ATOM 985 O GLY A 61 -12.350 4.034 -0.033 1.00 0.00 O ATOM 0 H GLY A 61 -15.785 4.337 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.458 5.234 0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.901 3.925 1.890 1.00 0.00 H new ATOM 989 N GLY A 62 -13.059 2.250 1.070 1.00 0.00 N ATOM 990 CA GLY A 62 -11.771 1.509 0.848 1.00 0.00 C ATOM 991 C GLY A 62 -11.180 1.043 2.183 1.00 0.00 C ATOM 992 O GLY A 62 -11.773 1.227 3.231 1.00 0.00 O ATOM 0 H GLY A 62 -13.762 1.736 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.947 0.649 0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.058 2.154 0.334 1.00 0.00 H new ATOM 996 N GLN A 63 -9.999 0.461 2.146 1.00 0.00 N ATOM 997 CA GLN A 63 -9.326 0.009 3.412 1.00 0.00 C ATOM 998 C GLN A 63 -8.621 1.231 4.023 1.00 0.00 C ATOM 999 O GLN A 63 -7.420 1.413 3.895 1.00 0.00 O ATOM 1000 CB GLN A 63 -8.349 -1.163 3.139 1.00 0.00 C ATOM 1001 CG GLN A 63 -7.255 -0.809 2.099 1.00 0.00 C ATOM 1002 CD GLN A 63 -7.699 -1.221 0.691 1.00 0.00 C ATOM 1003 OE1 GLN A 63 -8.171 -0.398 -0.065 1.00 0.00 O ATOM 1004 NE2 GLN A 63 -7.554 -2.446 0.288 1.00 0.00 N ATOM 0 H GLN A 63 -9.472 0.280 1.292 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.058 -0.378 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.872 -1.457 4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.914 -2.025 2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.054 0.262 2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.324 -1.314 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.158 -3.146 0.916 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.836 -2.709 -0.656 1.00 0.00 H new ATOM 1013 N THR A 64 -9.416 2.091 4.637 1.00 0.00 N ATOM 1014 CA THR A 64 -8.939 3.384 5.259 1.00 0.00 C ATOM 1015 C THR A 64 -8.550 4.358 4.136 1.00 0.00 C ATOM 1016 O THR A 64 -8.024 3.944 3.101 1.00 0.00 O ATOM 1017 CB THR A 64 -7.773 3.177 6.262 1.00 0.00 C ATOM 1018 OG1 THR A 64 -6.520 3.217 5.600 1.00 0.00 O ATOM 1019 CG2 THR A 64 -7.915 1.841 7.008 1.00 0.00 C ATOM 0 H THR A 64 -10.420 1.941 4.736 1.00 0.00 H new ATOM 0 HA THR A 64 -9.755 3.804 5.847 1.00 0.00 H new ATOM 0 HB THR A 64 -7.819 3.992 6.985 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.915 2.561 6.005 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.084 1.723 7.704 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.855 1.831 7.560 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.907 1.021 6.290 1.00 0.00 H new ATOM 1027 N HIS A 65 -8.828 5.635 4.296 1.00 0.00 N ATOM 1028 CA HIS A 65 -8.494 6.593 3.199 1.00 0.00 C ATOM 1029 C HIS A 65 -8.097 8.039 3.703 1.00 0.00 C ATOM 1030 O HIS A 65 -7.634 8.834 2.895 1.00 0.00 O ATOM 1031 CB HIS A 65 -9.733 6.661 2.249 1.00 0.00 C ATOM 1032 CG HIS A 65 -10.336 8.058 2.244 1.00 0.00 C ATOM 1033 ND1 HIS A 65 -10.005 9.007 1.292 1.00 0.00 N ATOM 1034 CD2 HIS A 65 -11.136 8.701 3.140 1.00 0.00 C ATOM 1035 CE1 HIS A 65 -10.596 10.158 1.638 1.00 0.00 C ATOM 1036 NE2 HIS A 65 -11.297 10.028 2.758 1.00 0.00 N ATOM 0 H HIS A 65 -9.263 6.044 5.123 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.607 6.226 2.683 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.436 6.385 1.237 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.483 5.938 2.570 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -9.416 8.856 0.473 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.578 8.248 4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.513 11.077 1.076 1.00 0.00 H new ATOM 1044 N GLN A 66 -8.280 8.411 4.968 1.00 0.00 N ATOM 1045 CA GLN A 66 -7.916 9.814 5.374 1.00 0.00 C ATOM 1046 C GLN A 66 -7.512 9.918 6.867 1.00 0.00 C ATOM 1047 O GLN A 66 -8.306 9.712 7.766 1.00 0.00 O ATOM 1048 CB GLN A 66 -9.109 10.722 4.951 1.00 0.00 C ATOM 1049 CG GLN A 66 -9.822 11.465 6.102 1.00 0.00 C ATOM 1050 CD GLN A 66 -9.065 12.750 6.462 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -8.911 13.631 5.647 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -8.568 12.893 7.652 1.00 0.00 N ATOM 0 H GLN A 66 -8.654 7.819 5.709 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.014 10.154 4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.745 11.460 4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.843 10.108 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.843 11.708 5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.887 10.817 6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.691 12.157 8.348 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.054 13.741 7.892 1.00 0.00 H new ATOM 1061 N ASP A 67 -6.247 10.214 7.130 1.00 0.00 N ATOM 1062 CA ASP A 67 -5.778 10.324 8.544 1.00 0.00 C ATOM 1063 C ASP A 67 -4.574 11.326 8.792 1.00 0.00 C ATOM 1064 O ASP A 67 -3.786 11.098 9.693 1.00 0.00 O ATOM 1065 CB ASP A 67 -5.338 8.948 8.918 1.00 0.00 C ATOM 1066 CG ASP A 67 -5.490 8.704 10.421 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -6.605 8.503 10.851 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -4.497 8.714 11.110 1.00 0.00 O ATOM 0 H ASP A 67 -5.531 10.381 6.423 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.597 10.726 9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.926 8.214 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.297 8.805 8.628 1.00 0.00 H new ATOM 1073 N PRO A 68 -4.483 12.445 8.079 1.00 0.00 N ATOM 1074 CA PRO A 68 -3.428 13.490 8.332 1.00 0.00 C ATOM 1075 C PRO A 68 -3.723 14.307 9.644 1.00 0.00 C ATOM 1076 O PRO A 68 -3.445 15.497 9.720 1.00 0.00 O ATOM 1077 CB PRO A 68 -3.560 14.405 7.104 1.00 0.00 C ATOM 1078 CG PRO A 68 -4.998 14.195 6.587 1.00 0.00 C ATOM 1079 CD PRO A 68 -5.364 12.763 6.968 1.00 0.00 C ATOM 0 HA PRO A 68 -2.435 13.061 8.468 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -3.387 15.448 7.371 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.827 14.146 6.341 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.686 14.909 7.039 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.052 14.340 5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.412 12.685 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.212 12.079 6.133 1.00 0.00 H new ATOM 1087 N ILE A 69 -4.315 13.684 10.649 1.00 0.00 N ATOM 1088 CA ILE A 69 -4.691 14.368 11.932 1.00 0.00 C ATOM 1089 C ILE A 69 -4.285 13.459 13.143 1.00 0.00 C ATOM 1090 O ILE A 69 -3.755 12.381 12.934 1.00 0.00 O ATOM 1091 CB ILE A 69 -6.220 14.565 11.889 1.00 0.00 C ATOM 1092 CG1 ILE A 69 -6.908 13.196 11.999 1.00 0.00 C ATOM 1093 CG2 ILE A 69 -6.651 15.264 10.589 1.00 0.00 C ATOM 1094 CD1 ILE A 69 -7.900 13.279 13.144 1.00 0.00 C ATOM 0 H ILE A 69 -4.559 12.694 10.626 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.183 15.325 12.048 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.515 15.198 12.726 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.416 12.946 11.068 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.174 12.411 12.183 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.734 15.390 10.585 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.172 16.241 10.525 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.354 14.657 9.734 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.410 12.322 13.253 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.371 13.516 14.067 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -8.632 14.059 12.935 1.00 0.00 H new ATOM 1106 N PRO A 70 -4.563 13.885 14.381 1.00 0.00 N ATOM 1107 CA PRO A 70 -4.249 13.062 15.573 1.00 0.00 C ATOM 1108 C PRO A 70 -5.334 11.960 15.768 1.00 0.00 C ATOM 1109 O PRO A 70 -6.247 12.109 16.571 1.00 0.00 O ATOM 1110 CB PRO A 70 -4.236 14.088 16.720 1.00 0.00 C ATOM 1111 CG PRO A 70 -5.086 15.291 16.246 1.00 0.00 C ATOM 1112 CD PRO A 70 -5.181 15.195 14.713 1.00 0.00 C ATOM 0 HA PRO A 70 -3.305 12.522 15.504 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.650 13.656 17.631 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.217 14.400 16.950 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.078 15.264 16.697 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.625 16.232 16.546 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.217 15.242 14.376 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.652 16.017 14.231 1.00 0.00 H new ATOM 1120 N LYS A 71 -5.217 10.855 15.028 1.00 0.00 N ATOM 1121 CA LYS A 71 -6.187 9.690 15.097 1.00 0.00 C ATOM 1122 C LYS A 71 -7.567 10.079 14.503 1.00 0.00 C ATOM 1123 O LYS A 71 -8.381 10.727 15.151 1.00 0.00 O ATOM 1124 CB LYS A 71 -6.362 9.178 16.542 1.00 0.00 C ATOM 1125 CG LYS A 71 -5.013 8.718 17.135 1.00 0.00 C ATOM 1126 CD LYS A 71 -4.472 9.754 18.144 1.00 0.00 C ATOM 1127 CE LYS A 71 -5.476 9.985 19.287 1.00 0.00 C ATOM 1128 NZ LYS A 71 -5.977 11.397 19.242 1.00 0.00 N ATOM 0 H LYS A 71 -4.461 10.714 14.358 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.760 8.884 14.500 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.785 9.968 17.162 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.070 8.349 16.554 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.138 7.754 17.629 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.289 8.573 16.333 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.523 9.408 18.553 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.274 10.696 17.633 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.311 9.290 19.197 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.000 9.788 20.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.905 11.451 19.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.305 12.020 19.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.069 11.701 18.252 1.00 0.00 H new ATOM 1142 N GLN A 72 -7.826 9.672 13.273 1.00 0.00 N ATOM 1143 CA GLN A 72 -9.135 9.979 12.583 1.00 0.00 C ATOM 1144 C GLN A 72 -9.907 8.664 12.352 1.00 0.00 C ATOM 1145 O GLN A 72 -9.300 7.662 12.011 1.00 0.00 O ATOM 1146 CB GLN A 72 -8.819 10.610 11.201 1.00 0.00 C ATOM 1147 CG GLN A 72 -10.057 11.268 10.549 1.00 0.00 C ATOM 1148 CD GLN A 72 -10.146 12.759 10.905 1.00 0.00 C ATOM 1149 OE1 GLN A 72 -9.645 13.592 10.186 1.00 0.00 O ATOM 1150 NE2 GLN A 72 -10.761 13.145 11.986 1.00 0.00 N ATOM 0 H GLN A 72 -7.173 9.130 12.707 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.730 10.658 13.194 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.035 11.358 11.318 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.429 9.840 10.535 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.006 11.152 9.466 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.961 10.758 10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.189 12.455 12.603 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.815 14.137 12.215 1.00 0.00 H new ATOM 1159 N PRO A 73 -11.238 8.697 12.460 1.00 0.00 N ATOM 1160 CA PRO A 73 -12.061 7.500 12.168 1.00 0.00 C ATOM 1161 C PRO A 73 -11.917 7.066 10.679 1.00 0.00 C ATOM 1162 O PRO A 73 -12.249 5.950 10.351 1.00 0.00 O ATOM 1163 CB PRO A 73 -13.487 7.930 12.543 1.00 0.00 C ATOM 1164 CG PRO A 73 -13.485 9.470 12.532 1.00 0.00 C ATOM 1165 CD PRO A 73 -12.042 9.881 12.862 1.00 0.00 C ATOM 0 HA PRO A 73 -11.755 6.617 12.729 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.213 7.536 11.831 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.764 7.548 13.525 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.790 9.856 11.559 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.184 9.869 13.267 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.744 10.773 12.311 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.922 10.106 13.922 1.00 0.00 H new ATOM 1173 N SER A 74 -11.379 7.915 9.797 1.00 0.00 N ATOM 1174 CA SER A 74 -11.163 7.523 8.361 1.00 0.00 C ATOM 1175 C SER A 74 -9.874 6.672 8.253 1.00 0.00 C ATOM 1176 O SER A 74 -9.903 5.649 7.618 1.00 0.00 O ATOM 1177 CB SER A 74 -11.052 8.763 7.478 1.00 0.00 C ATOM 1178 OG SER A 74 -12.351 9.286 7.219 1.00 0.00 O ATOM 0 H SER A 74 -11.083 8.864 10.025 1.00 0.00 H new ATOM 0 HA SER A 74 -12.016 6.937 8.018 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.437 9.517 7.969 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.558 8.510 6.540 1.00 0.00 H new ATOM 0 HG SER A 74 -12.809 8.716 6.566 1.00 0.00 H new ATOM 1184 N SER A 75 -8.753 7.066 8.893 1.00 0.00 N ATOM 1185 CA SER A 75 -7.472 6.219 8.862 1.00 0.00 C ATOM 1186 C SER A 75 -6.742 6.254 7.481 1.00 0.00 C ATOM 1187 O SER A 75 -7.378 6.267 6.469 1.00 0.00 O ATOM 1188 CB SER A 75 -7.820 4.766 9.280 1.00 0.00 C ATOM 1189 OG SER A 75 -6.674 3.932 9.135 1.00 0.00 O ATOM 0 H SER A 75 -8.676 7.930 9.429 1.00 0.00 H new ATOM 0 HA SER A 75 -6.767 6.652 9.571 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.165 4.748 10.314 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.636 4.387 8.665 1.00 0.00 H new ATOM 0 HG SER A 75 -6.849 3.061 9.548 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.386 6.287 7.504 1.00 0.00 N ATOM 1196 CA GLN A 76 -4.454 6.343 6.273 1.00 0.00 C ATOM 1197 C GLN A 76 -4.993 7.208 5.089 1.00 0.00 C ATOM 1198 O GLN A 76 -5.958 6.859 4.493 1.00 0.00 O ATOM 1199 CB GLN A 76 -4.091 4.900 5.828 1.00 0.00 C ATOM 1200 CG GLN A 76 -4.151 4.666 4.283 1.00 0.00 C ATOM 1201 CD GLN A 76 -2.892 5.202 3.568 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -2.378 6.245 3.890 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -2.385 4.541 2.569 1.00 0.00 N ATOM 0 H GLN A 76 -4.866 6.276 8.381 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.549 6.864 6.587 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.086 4.666 6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.770 4.201 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.256 3.600 4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.035 5.156 3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.802 3.657 2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.570 4.907 2.076 1.00 0.00 H new ATOM 1212 N PRO A 77 -4.308 8.302 4.763 1.00 0.00 N ATOM 1213 CA PRO A 77 -4.701 9.230 3.646 1.00 0.00 C ATOM 1214 C PRO A 77 -4.610 8.611 2.201 1.00 0.00 C ATOM 1215 O PRO A 77 -3.840 9.054 1.357 1.00 0.00 O ATOM 1216 CB PRO A 77 -3.767 10.434 3.855 1.00 0.00 C ATOM 1217 CG PRO A 77 -2.574 9.924 4.695 1.00 0.00 C ATOM 1218 CD PRO A 77 -3.071 8.703 5.463 1.00 0.00 C ATOM 0 HA PRO A 77 -5.759 9.489 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.426 10.831 2.899 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.286 11.243 4.369 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.733 9.662 4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.224 10.696 5.380 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.333 7.901 5.454 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.267 8.944 6.508 1.00 0.00 H new ATOM 1226 N ARG A 78 -5.422 7.590 1.938 1.00 0.00 N ATOM 1227 CA ARG A 78 -5.478 6.891 0.605 1.00 0.00 C ATOM 1228 C ARG A 78 -6.905 6.297 0.290 1.00 0.00 C ATOM 1229 O ARG A 78 -7.268 5.277 0.835 1.00 0.00 O ATOM 1230 CB ARG A 78 -4.467 5.748 0.709 1.00 0.00 C ATOM 1231 CG ARG A 78 -4.146 5.137 -0.671 1.00 0.00 C ATOM 1232 CD ARG A 78 -5.340 4.325 -1.218 1.00 0.00 C ATOM 1233 NE ARG A 78 -5.771 3.270 -0.228 1.00 0.00 N ATOM 1234 CZ ARG A 78 -6.835 2.554 -0.437 1.00 0.00 C ATOM 1235 NH1 ARG A 78 -6.933 1.826 -1.511 1.00 0.00 N ATOM 1236 NH2 ARG A 78 -7.800 2.567 0.433 1.00 0.00 N ATOM 0 H ARG A 78 -6.069 7.205 2.626 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.258 7.594 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.548 6.116 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.861 4.973 1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.892 5.932 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.271 4.492 -0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.174 4.994 -1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.063 3.853 -2.161 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.220 3.117 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.173 1.816 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.769 1.265 -1.672 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.720 3.137 1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.638 2.007 0.274 1.00 0.00 H new ATOM 1250 N GLY A 79 -7.677 6.855 -0.655 1.00 0.00 N ATOM 1251 CA GLY A 79 -9.019 6.204 -1.037 1.00 0.00 C ATOM 1252 C GLY A 79 -10.243 7.164 -1.037 1.00 0.00 C ATOM 1253 O GLY A 79 -10.133 8.322 -1.399 1.00 0.00 O ATOM 0 H GLY A 79 -7.447 7.707 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.922 5.764 -2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.218 5.386 -0.344 1.00 0.00 H new ATOM 1257 N ASP A 80 -11.415 6.642 -0.653 1.00 0.00 N ATOM 1258 CA ASP A 80 -12.714 7.430 -0.625 1.00 0.00 C ATOM 1259 C ASP A 80 -13.176 7.687 0.855 1.00 0.00 C ATOM 1260 O ASP A 80 -13.028 6.812 1.697 1.00 0.00 O ATOM 1261 CB ASP A 80 -13.759 6.581 -1.387 1.00 0.00 C ATOM 1262 CG ASP A 80 -15.154 7.213 -1.355 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -15.411 8.072 -2.174 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -15.947 6.807 -0.523 1.00 0.00 O ATOM 0 H ASP A 80 -11.519 5.673 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.590 8.408 -1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.441 6.460 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.804 5.584 -0.949 1.00 0.00 H new ATOM 1269 N PRO A 81 -13.711 8.891 1.136 1.00 0.00 N ATOM 1270 CA PRO A 81 -14.166 9.284 2.506 1.00 0.00 C ATOM 1271 C PRO A 81 -15.527 8.680 2.875 1.00 0.00 C ATOM 1272 O PRO A 81 -16.517 8.892 2.188 1.00 0.00 O ATOM 1273 CB PRO A 81 -14.251 10.817 2.431 1.00 0.00 C ATOM 1274 CG PRO A 81 -14.416 11.173 0.935 1.00 0.00 C ATOM 1275 CD PRO A 81 -13.915 9.960 0.125 1.00 0.00 C ATOM 0 HA PRO A 81 -13.486 8.921 3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.094 11.188 3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.352 11.276 2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.459 11.388 0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.843 12.066 0.686 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.643 9.659 -0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.988 10.190 -0.401 1.00 0.00 H new ATOM 1283 N THR A 82 -15.590 7.946 3.979 1.00 0.00 N ATOM 1284 CA THR A 82 -16.904 7.341 4.406 1.00 0.00 C ATOM 1285 C THR A 82 -17.119 7.365 5.944 1.00 0.00 C ATOM 1286 O THR A 82 -18.038 6.733 6.448 1.00 0.00 O ATOM 1287 CB THR A 82 -17.060 5.898 3.853 1.00 0.00 C ATOM 1288 OG1 THR A 82 -16.293 4.965 4.607 1.00 0.00 O ATOM 1289 CG2 THR A 82 -16.631 5.821 2.391 1.00 0.00 C ATOM 0 H THR A 82 -14.799 7.745 4.591 1.00 0.00 H new ATOM 0 HA THR A 82 -17.682 7.971 3.974 1.00 0.00 H new ATOM 0 HB THR A 82 -18.116 5.642 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.640 5.447 5.157 1.00 0.00 H new ATOM 0 HG21 THR A 82 -16.751 4.800 2.030 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.250 6.492 1.794 1.00 0.00 H new ATOM 0 HG23 THR A 82 -15.586 6.117 2.302 1.00 0.00 H new ATOM 1297 N GLY A 83 -16.341 8.138 6.675 1.00 0.00 N ATOM 1298 CA GLY A 83 -16.529 8.266 8.164 1.00 0.00 C ATOM 1299 C GLY A 83 -15.633 7.290 8.975 1.00 0.00 C ATOM 1300 O GLY A 83 -14.431 7.298 8.814 1.00 0.00 O ATOM 0 H GLY A 83 -15.573 8.693 6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.308 9.290 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.574 8.080 8.410 1.00 0.00 H new ATOM 1304 N PRO A 84 -16.246 6.506 9.875 1.00 0.00 N ATOM 1305 CA PRO A 84 -15.537 5.553 10.763 1.00 0.00 C ATOM 1306 C PRO A 84 -15.738 4.133 10.188 1.00 0.00 C ATOM 1307 O PRO A 84 -16.146 3.214 10.885 1.00 0.00 O ATOM 1308 CB PRO A 84 -16.335 5.722 12.074 1.00 0.00 C ATOM 1309 CG PRO A 84 -17.754 6.232 11.654 1.00 0.00 C ATOM 1310 CD PRO A 84 -17.694 6.482 10.135 1.00 0.00 C ATOM 0 HA PRO A 84 -14.465 5.712 10.879 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.404 4.777 12.613 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.846 6.434 12.739 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -18.519 5.495 11.896 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -18.012 7.146 12.188 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -18.194 5.693 9.574 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -18.172 7.422 9.859 1.00 0.00 H new ATOM 1318 N LYS A 85 -15.556 3.991 8.897 1.00 0.00 N ATOM 1319 CA LYS A 85 -15.850 2.694 8.219 1.00 0.00 C ATOM 1320 C LYS A 85 -14.687 2.183 7.337 1.00 0.00 C ATOM 1321 O LYS A 85 -14.594 0.992 7.093 1.00 0.00 O ATOM 1322 CB LYS A 85 -17.071 2.916 7.315 1.00 0.00 C ATOM 1323 CG LYS A 85 -18.071 3.933 7.897 1.00 0.00 C ATOM 1324 CD LYS A 85 -19.378 3.886 7.087 1.00 0.00 C ATOM 1325 CE LYS A 85 -19.041 3.877 5.590 1.00 0.00 C ATOM 1326 NZ LYS A 85 -20.251 4.194 4.775 1.00 0.00 N ATOM 0 H LYS A 85 -15.213 4.727 8.280 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.019 1.945 8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.735 3.263 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -17.578 1.964 7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -18.271 3.705 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.646 4.936 7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -19.951 2.996 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -20.000 4.748 7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.257 4.606 5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.651 2.900 5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.970 4.367 3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -20.913 3.393 4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -20.714 5.044 5.157 1.00 0.00 H new ATOM 1340 N GLU A 86 -13.840 3.062 6.850 1.00 0.00 N ATOM 1341 CA GLU A 86 -12.713 2.658 5.966 1.00 0.00 C ATOM 1342 C GLU A 86 -11.541 2.106 6.813 1.00 0.00 C ATOM 1343 O GLU A 86 -11.273 0.925 6.690 1.00 0.00 O ATOM 1344 CB GLU A 86 -12.301 3.866 5.060 1.00 0.00 C ATOM 1345 CG GLU A 86 -12.062 5.162 5.879 1.00 0.00 C ATOM 1346 CD GLU A 86 -13.268 6.108 5.831 1.00 0.00 C ATOM 1347 OE1 GLU A 86 -14.290 5.778 6.404 1.00 0.00 O ATOM 1348 OE2 GLU A 86 -13.143 7.166 5.250 1.00 0.00 O ATOM 1349 OXT GLU A 86 -10.939 2.849 7.568 1.00 0.00 O ATOM 0 H GLU A 86 -13.890 4.064 7.037 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.023 1.850 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.394 3.613 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.081 4.045 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.848 4.901 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.183 5.677 5.492 1.00 0.00 H new TER 1356 GLU A 86