USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 819 hydrogens (34 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 80 HIS : no HD1:sc= -0.24 X(o=-2.7,f=-2.3) USER MOD Set 1.2: A 103 ACO O2B : rot 130:sc= -2.51! USER MOD Set 2.1: A 41 THR OG1 : rot 69:sc= 1.32 USER MOD Set 2.2: A 75 CYS SG : rot 31:sc= 0.949 USER MOD Set 3.1: A 27 THR OG1 : rot -55:sc= 1.01 USER MOD Set 3.2: A 40 HIS : no HD1:sc= 0.702 K(o=1.7,f=-3.2!) USER MOD Set 4.1: A 37 ASN : amide:sc= 0.881 X(o=1.7,f=1.7) USER MOD Set 4.2: A 74 SER OG : rot -150:sc= 0.772 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0.274 K(o=0.27,f=-3.9!) USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= 0.459 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.12 K(o=1.1,f=-0.013) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 2.38 (180deg=2.23) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 34 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.4!) USER MOD Single : A 44 SER OG : rot 125:sc= 0.00302 USER MOD Single : A 50 GLN : amide:sc= -0.626 K(o=-0.63,f=-3.4!) USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= 1.31 (180deg=0.274) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.21) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 1.13 (180deg=0.908) USER MOD Single : A 63 HIS : no HE2:sc= 0.827 K(o=0.83,f=-6!) USER MOD Single : A 67 ASN : amide:sc= -0.823 X(o=-0.82,f=-0.43) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.27) USER MOD Single : A 76 SER OG : rot 180:sc= 0.16 USER MOD Single : A 79 LYS NZ :NH3+ -141:sc= 0.779 (180deg=-0.954!) USER MOD Single : A 81 MET CE :methyl 164:sc= -1.19 (180deg=-1.75) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= -0.0214 (180deg=-0.15) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0703 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -1.29 F(o=-5.7!,f=-1.3) USER MOD Single : A 92 TYR OH : rot -179:sc= 0.265 USER MOD Single : A 97 HIS :FLIP no HD1:sc= -0.0279 F(o=-0.72,f=-0.028) USER MOD Single : A 98 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=0) USER MOD Single : A 99 HIS : no HD1:sc=-0.00356 X(o=-0.0036,f=-0.0036) USER MOD Single : A 100 HIS : no HD1:sc= 1.08 K(o=1.1,f=-5.8!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ACO OAP : rot 180:sc= -0.122 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.917 0.929 12.695 1.00 6.95 N ATOM 2 CA MET A 1 22.774 1.608 11.392 1.00 6.01 C ATOM 3 C MET A 1 21.303 1.784 11.045 1.00 5.28 C ATOM 4 O MET A 1 20.652 0.848 10.580 1.00 5.28 O ATOM 5 CB MET A 1 23.476 0.807 10.293 1.00 5.80 C ATOM 6 CG MET A 1 24.986 0.966 10.300 1.00 6.10 C ATOM 7 SD MET A 1 25.788 0.053 8.970 1.00 6.20 S ATOM 8 CE MET A 1 27.492 0.549 9.210 1.00 6.73 C ATOM 0 H1 MET A 1 23.926 0.816 12.919 1.00 6.95 H new ATOM 0 H2 MET A 1 22.460 1.499 13.435 1.00 6.95 H new ATOM 0 H3 MET A 1 22.465 -0.007 12.650 1.00 6.95 H new ATOM 0 HA MET A 1 23.240 2.591 11.464 1.00 6.01 H new ATOM 0 HB2 MET A 1 23.229 -0.248 10.409 1.00 5.80 H new ATOM 0 HB3 MET A 1 23.090 1.120 9.323 1.00 5.80 H new ATOM 0 HG2 MET A 1 25.236 2.023 10.212 1.00 6.10 H new ATOM 0 HG3 MET A 1 25.379 0.624 11.258 1.00 6.10 H new ATOM 0 HE1 MET A 1 28.120 0.067 8.461 1.00 6.73 H new ATOM 0 HE2 MET A 1 27.574 1.631 9.109 1.00 6.73 H new ATOM 0 HE3 MET A 1 27.821 0.251 10.206 1.00 6.73 H new ATOM 20 N SER A 2 20.776 2.980 11.292 1.00 5.03 N ATOM 21 CA SER A 2 19.380 3.274 11.000 1.00 4.69 C ATOM 22 C SER A 2 19.152 3.390 9.491 1.00 3.60 C ATOM 23 O SER A 2 19.180 4.485 8.920 1.00 3.51 O ATOM 24 CB SER A 2 18.949 4.565 11.702 1.00 5.46 C ATOM 25 OG SER A 2 19.342 4.566 13.067 1.00 6.47 O ATOM 0 H SER A 2 21.296 3.760 11.694 1.00 5.03 H new ATOM 0 HA SER A 2 18.773 2.450 11.376 1.00 4.69 H new ATOM 0 HB2 SER A 2 19.390 5.423 11.194 1.00 5.46 H new ATOM 0 HB3 SER A 2 17.867 4.675 11.633 1.00 5.46 H new ATOM 0 HG SER A 2 19.055 5.403 13.489 1.00 6.47 H new ATOM 31 N ASN A 3 18.950 2.251 8.849 1.00 3.10 N ATOM 32 CA ASN A 3 18.711 2.208 7.413 1.00 2.27 C ATOM 33 C ASN A 3 17.427 1.428 7.141 1.00 2.15 C ATOM 34 O ASN A 3 16.692 1.114 8.081 1.00 2.83 O ATOM 35 CB ASN A 3 19.900 1.574 6.681 1.00 2.40 C ATOM 36 CG ASN A 3 20.048 2.088 5.258 1.00 2.63 C ATOM 37 OD1 ASN A 3 19.503 1.511 4.316 1.00 2.70 O ATOM 38 ND2 ASN A 3 20.782 3.179 5.093 1.00 3.35 N ATOM 0 H ASN A 3 18.947 1.337 9.302 1.00 3.10 H new ATOM 0 HA ASN A 3 18.599 3.225 7.037 1.00 2.27 H new ATOM 0 HB2 ASN A 3 20.816 1.780 7.235 1.00 2.40 H new ATOM 0 HB3 ASN A 3 19.775 0.491 6.662 1.00 2.40 H new ATOM 0 HD21 ASN A 3 20.912 3.570 4.160 1.00 3.35 H new ATOM 0 HD22 ASN A 3 21.217 3.628 5.899 1.00 3.35 H new ATOM 45 N LEU A 4 17.163 1.114 5.872 1.00 1.64 N ATOM 46 CA LEU A 4 15.953 0.382 5.482 1.00 1.54 C ATOM 47 C LEU A 4 14.714 1.150 5.927 1.00 1.65 C ATOM 48 O LEU A 4 13.711 0.569 6.354 1.00 2.49 O ATOM 49 CB LEU A 4 15.941 -1.033 6.077 1.00 1.47 C ATOM 50 CG LEU A 4 16.734 -2.088 5.301 1.00 1.63 C ATOM 51 CD1 LEU A 4 18.224 -1.966 5.585 1.00 2.06 C ATOM 52 CD2 LEU A 4 16.237 -3.486 5.644 1.00 2.10 C ATOM 0 H LEU A 4 17.773 1.356 5.091 1.00 1.64 H new ATOM 0 HA LEU A 4 15.948 0.289 4.396 1.00 1.54 H new ATOM 0 HB2 LEU A 4 16.335 -0.983 7.092 1.00 1.47 H new ATOM 0 HB3 LEU A 4 14.906 -1.366 6.153 1.00 1.47 H new ATOM 0 HG LEU A 4 16.578 -1.916 4.236 1.00 1.63 H new ATOM 0 HD11 LEU A 4 18.765 -2.726 5.022 1.00 2.06 H new ATOM 0 HD12 LEU A 4 18.572 -0.977 5.286 1.00 2.06 H new ATOM 0 HD13 LEU A 4 18.404 -2.107 6.651 1.00 2.06 H new ATOM 0 HD21 LEU A 4 16.811 -4.224 5.084 1.00 2.10 H new ATOM 0 HD22 LEU A 4 16.361 -3.664 6.712 1.00 2.10 H new ATOM 0 HD23 LEU A 4 15.182 -3.572 5.382 1.00 2.10 H new ATOM 64 N GLU A 5 14.801 2.465 5.821 1.00 1.13 N ATOM 65 CA GLU A 5 13.717 3.343 6.218 1.00 1.19 C ATOM 66 C GLU A 5 12.749 3.547 5.062 1.00 1.05 C ATOM 67 O GLU A 5 13.038 3.170 3.925 1.00 1.01 O ATOM 68 CB GLU A 5 14.277 4.689 6.687 1.00 1.48 C ATOM 69 CG GLU A 5 15.509 4.557 7.572 1.00 1.61 C ATOM 70 CD GLU A 5 15.875 5.849 8.270 1.00 2.22 C ATOM 71 OE1 GLU A 5 16.487 6.721 7.621 1.00 2.91 O ATOM 72 OE2 GLU A 5 15.545 6.001 9.467 1.00 2.57 O ATOM 0 H GLU A 5 15.621 2.951 5.459 1.00 1.13 H new ATOM 0 HA GLU A 5 13.176 2.880 7.043 1.00 1.19 H new ATOM 0 HB2 GLU A 5 14.528 5.293 5.815 1.00 1.48 H new ATOM 0 HB3 GLU A 5 13.502 5.226 7.234 1.00 1.48 H new ATOM 0 HG2 GLU A 5 15.332 3.784 8.320 1.00 1.61 H new ATOM 0 HG3 GLU A 5 16.352 4.226 6.965 1.00 1.61 H new ATOM 79 N ILE A 6 11.605 4.140 5.358 1.00 1.00 N ATOM 80 CA ILE A 6 10.599 4.390 4.345 1.00 0.88 C ATOM 81 C ILE A 6 10.999 5.594 3.501 1.00 0.86 C ATOM 82 O ILE A 6 10.801 6.747 3.894 1.00 0.90 O ATOM 83 CB ILE A 6 9.210 4.613 4.978 1.00 0.86 C ATOM 84 CG1 ILE A 6 8.868 3.449 5.915 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.150 4.751 3.893 1.00 0.79 C ATOM 86 CD1 ILE A 6 7.885 3.811 7.008 1.00 0.92 C ATOM 0 H ILE A 6 11.351 4.457 6.294 1.00 1.00 H new ATOM 0 HA ILE A 6 10.534 3.511 3.704 1.00 0.88 H new ATOM 0 HB ILE A 6 9.231 5.536 5.558 1.00 0.86 H new ATOM 0 HG12 ILE A 6 8.456 2.630 5.326 1.00 0.94 H new ATOM 0 HG13 ILE A 6 9.787 3.082 6.373 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.175 4.908 4.355 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.391 5.602 3.255 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.125 3.842 3.291 1.00 0.79 H new ATOM 0 HD11 ILE A 6 7.693 2.936 7.629 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.302 4.608 7.623 1.00 0.92 H new ATOM 0 HD13 ILE A 6 6.951 4.149 6.560 1.00 0.92 H new ATOM 98 N LYS A 7 11.590 5.315 2.349 1.00 0.86 N ATOM 99 CA LYS A 7 12.035 6.358 1.444 1.00 0.89 C ATOM 100 C LYS A 7 10.870 6.869 0.608 1.00 0.79 C ATOM 101 O LYS A 7 10.194 6.096 -0.076 1.00 0.74 O ATOM 102 CB LYS A 7 13.147 5.827 0.534 1.00 0.99 C ATOM 103 CG LYS A 7 14.235 5.064 1.278 1.00 1.10 C ATOM 104 CD LYS A 7 15.222 4.395 0.328 1.00 1.61 C ATOM 105 CE LYS A 7 16.278 5.370 -0.168 1.00 1.77 C ATOM 106 NZ LYS A 7 17.271 4.713 -1.060 1.00 2.23 N ATOM 0 H LYS A 7 11.772 4.367 2.019 1.00 0.86 H new ATOM 0 HA LYS A 7 12.428 7.186 2.034 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.707 5.173 -0.219 1.00 0.99 H new ATOM 0 HB3 LYS A 7 13.601 6.664 0.003 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.772 5.749 1.934 1.00 1.10 H new ATOM 0 HG3 LYS A 7 13.776 4.307 1.914 1.00 1.10 H new ATOM 0 HD2 LYS A 7 15.707 3.561 0.836 1.00 1.61 H new ATOM 0 HD3 LYS A 7 14.683 3.980 -0.523 1.00 1.61 H new ATOM 0 HE2 LYS A 7 15.794 6.186 -0.704 1.00 1.77 H new ATOM 0 HE3 LYS A 7 16.793 5.811 0.685 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 18.232 4.975 -0.762 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 17.160 3.681 -1.002 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 17.116 5.024 -2.040 1.00 2.23 H new ATOM 120 N GLN A 8 10.634 8.172 0.670 1.00 0.81 N ATOM 121 CA GLN A 8 9.548 8.785 -0.076 1.00 0.78 C ATOM 122 C GLN A 8 9.894 8.870 -1.558 1.00 0.90 C ATOM 123 O GLN A 8 11.045 9.107 -1.931 1.00 1.15 O ATOM 124 CB GLN A 8 9.233 10.183 0.471 1.00 0.93 C ATOM 125 CG GLN A 8 10.370 11.178 0.300 1.00 1.29 C ATOM 126 CD GLN A 8 9.950 12.616 0.552 1.00 1.76 C ATOM 127 OE1 GLN A 8 10.454 13.539 -0.089 1.00 2.52 O ATOM 128 NE2 GLN A 8 9.029 12.824 1.482 1.00 1.94 N ATOM 0 H GLN A 8 11.182 8.825 1.231 1.00 0.81 H new ATOM 0 HA GLN A 8 8.664 8.158 0.042 1.00 0.78 H new ATOM 0 HB2 GLN A 8 8.346 10.569 -0.032 1.00 0.93 H new ATOM 0 HB3 GLN A 8 8.989 10.102 1.530 1.00 0.93 H new ATOM 0 HG2 GLN A 8 11.178 10.917 0.983 1.00 1.29 H new ATOM 0 HG3 GLN A 8 10.768 11.095 -0.711 1.00 1.29 H new ATOM 0 HE21 GLN A 8 8.633 12.035 1.993 1.00 1.94 H new ATOM 0 HE22 GLN A 8 8.716 13.773 1.686 1.00 1.94 H new ATOM 137 N GLY A 9 8.899 8.657 -2.396 1.00 0.87 N ATOM 138 CA GLY A 9 9.104 8.725 -3.823 1.00 1.04 C ATOM 139 C GLY A 9 7.963 9.435 -4.507 1.00 0.71 C ATOM 140 O GLY A 9 7.137 10.054 -3.838 1.00 0.83 O ATOM 0 H GLY A 9 7.945 8.436 -2.112 1.00 0.87 H new ATOM 0 HA2 GLY A 9 10.038 9.246 -4.034 1.00 1.04 H new ATOM 0 HA3 GLY A 9 9.203 7.717 -4.227 1.00 1.04 H new ATOM 144 N GLU A 10 7.923 9.352 -5.832 1.00 1.04 N ATOM 145 CA GLU A 10 6.869 9.985 -6.629 1.00 0.82 C ATOM 146 C GLU A 10 5.487 9.439 -6.255 1.00 0.70 C ATOM 147 O GLU A 10 4.999 8.480 -6.862 1.00 0.72 O ATOM 148 CB GLU A 10 7.146 9.767 -8.122 1.00 0.79 C ATOM 149 CG GLU A 10 7.526 8.334 -8.471 1.00 1.82 C ATOM 150 CD GLU A 10 8.042 8.186 -9.884 1.00 2.48 C ATOM 151 OE1 GLU A 10 8.743 9.099 -10.360 1.00 3.19 O ATOM 152 OE2 GLU A 10 7.737 7.165 -10.532 1.00 2.65 O ATOM 0 H GLU A 10 8.615 8.847 -6.386 1.00 1.04 H new ATOM 0 HA GLU A 10 6.871 11.054 -6.416 1.00 0.82 H new ATOM 0 HB2 GLU A 10 6.260 10.048 -8.692 1.00 0.79 H new ATOM 0 HB3 GLU A 10 7.950 10.433 -8.434 1.00 0.79 H new ATOM 0 HG2 GLU A 10 8.288 7.986 -7.774 1.00 1.82 H new ATOM 0 HG3 GLU A 10 6.656 7.691 -8.339 1.00 1.82 H new ATOM 159 N ASN A 11 4.872 10.059 -5.245 1.00 0.63 N ATOM 160 CA ASN A 11 3.556 9.656 -4.747 1.00 0.59 C ATOM 161 C ASN A 11 3.564 8.178 -4.386 1.00 0.47 C ATOM 162 O ASN A 11 2.596 7.448 -4.627 1.00 0.44 O ATOM 163 CB ASN A 11 2.465 9.954 -5.777 1.00 0.71 C ATOM 164 CG ASN A 11 1.243 10.594 -5.146 1.00 0.73 C ATOM 165 OD1 ASN A 11 1.258 11.777 -4.810 1.00 1.10 O ATOM 166 ND2 ASN A 11 0.180 9.825 -4.985 1.00 1.38 N ATOM 0 H ASN A 11 5.273 10.855 -4.750 1.00 0.63 H new ATOM 0 HA ASN A 11 3.335 10.235 -3.850 1.00 0.59 H new ATOM 0 HB2 ASN A 11 2.864 10.616 -6.546 1.00 0.71 H new ATOM 0 HB3 ASN A 11 2.173 9.028 -6.273 1.00 0.71 H new ATOM 0 HD21 ASN A 11 -0.669 10.208 -4.569 1.00 1.38 H new ATOM 0 HD22 ASN A 11 0.208 8.848 -5.277 1.00 1.38 H new ATOM 173 N LYS A 12 4.672 7.751 -3.797 1.00 0.45 N ATOM 174 CA LYS A 12 4.851 6.364 -3.411 1.00 0.43 C ATOM 175 C LYS A 12 5.878 6.239 -2.297 1.00 0.46 C ATOM 176 O LYS A 12 6.552 7.208 -1.947 1.00 0.55 O ATOM 177 CB LYS A 12 5.315 5.547 -4.622 1.00 0.50 C ATOM 178 CG LYS A 12 6.761 5.811 -5.029 1.00 0.65 C ATOM 179 CD LYS A 12 7.245 4.814 -6.068 1.00 0.59 C ATOM 180 CE LYS A 12 8.716 5.020 -6.388 1.00 0.73 C ATOM 181 NZ LYS A 12 9.200 4.078 -7.430 1.00 0.94 N ATOM 0 H LYS A 12 5.465 8.353 -3.576 1.00 0.45 H new ATOM 0 HA LYS A 12 3.896 5.983 -3.050 1.00 0.43 H new ATOM 0 HB2 LYS A 12 5.199 4.487 -4.398 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.664 5.768 -5.468 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.848 6.822 -5.427 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.402 5.759 -4.149 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.089 3.799 -5.702 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.655 4.919 -6.978 1.00 0.59 H new ATOM 0 HE2 LYS A 12 8.873 6.045 -6.725 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.305 4.890 -5.480 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 10.189 4.299 -7.665 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 9.138 3.103 -7.073 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 8.612 4.172 -8.283 1.00 0.94 H new ATOM 195 N PHE A 13 5.989 5.039 -1.755 1.00 0.46 N ATOM 196 CA PHE A 13 6.943 4.745 -0.701 1.00 0.50 C ATOM 197 C PHE A 13 7.713 3.494 -1.082 1.00 0.50 C ATOM 198 O PHE A 13 7.113 2.476 -1.423 1.00 0.46 O ATOM 199 CB PHE A 13 6.231 4.538 0.640 1.00 0.51 C ATOM 200 CG PHE A 13 5.570 5.776 1.179 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.328 6.873 1.561 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.191 5.843 1.306 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.724 8.012 2.057 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.582 6.981 1.803 1.00 0.59 C ATOM 205 CZ PHE A 13 4.349 8.066 2.179 1.00 0.65 C ATOM 0 H PHE A 13 5.419 4.240 -2.034 1.00 0.46 H new ATOM 0 HA PHE A 13 7.626 5.587 -0.588 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.478 3.758 0.523 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.954 4.177 1.371 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.403 6.836 1.470 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.586 4.998 1.014 1.00 0.54 H new ATOM 0 HE1 PHE A 13 6.326 8.860 2.349 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.507 7.021 1.897 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.875 8.955 2.568 1.00 0.65 H new ATOM 215 N TYR A 14 9.030 3.568 -1.051 1.00 0.60 N ATOM 216 CA TYR A 14 9.845 2.424 -1.418 1.00 0.64 C ATOM 217 C TYR A 14 10.988 2.232 -0.442 1.00 0.69 C ATOM 218 O TYR A 14 11.519 3.196 0.108 1.00 0.75 O ATOM 219 CB TYR A 14 10.384 2.571 -2.848 1.00 0.67 C ATOM 220 CG TYR A 14 11.302 3.758 -3.062 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.789 5.015 -3.354 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.684 3.617 -2.983 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.624 6.097 -3.561 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.525 4.696 -3.190 1.00 1.04 C ATOM 225 CZ TYR A 14 12.988 5.933 -3.477 1.00 1.03 C ATOM 226 OH TYR A 14 13.822 7.007 -3.688 1.00 1.16 O ATOM 0 H TYR A 14 9.555 4.399 -0.778 1.00 0.60 H new ATOM 0 HA TYR A 14 9.209 1.539 -1.378 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.922 1.661 -3.114 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.540 2.654 -3.533 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.719 5.150 -3.420 1.00 0.79 H new ATOM 0 HD2 TYR A 14 13.107 2.650 -2.756 1.00 0.93 H new ATOM 0 HE1 TYR A 14 11.208 7.067 -3.788 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.596 4.570 -3.127 1.00 1.04 H new ATOM 0 HH TYR A 14 14.754 6.721 -3.591 1.00 1.16 H new ATOM 236 N ILE A 15 11.353 0.984 -0.222 1.00 0.71 N ATOM 237 CA ILE A 15 12.440 0.654 0.678 1.00 0.78 C ATOM 238 C ILE A 15 13.466 -0.207 -0.047 1.00 0.92 C ATOM 239 O ILE A 15 13.141 -1.278 -0.567 1.00 0.92 O ATOM 240 CB ILE A 15 11.932 -0.078 1.936 1.00 0.73 C ATOM 241 CG1 ILE A 15 10.913 0.793 2.676 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.093 -0.442 2.853 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.156 0.060 3.762 1.00 0.71 C ATOM 0 H ILE A 15 10.908 0.176 -0.658 1.00 0.71 H new ATOM 0 HA ILE A 15 12.905 1.586 1.000 1.00 0.78 H new ATOM 0 HB ILE A 15 11.443 -1.002 1.627 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.430 1.644 3.118 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.200 1.193 1.955 1.00 0.67 H new ATOM 0 HG21 ILE A 15 12.712 -0.958 3.735 1.00 0.80 H new ATOM 0 HG22 ILE A 15 13.786 -1.095 2.322 1.00 0.80 H new ATOM 0 HG23 ILE A 15 13.613 0.466 3.160 1.00 0.80 H new ATOM 0 HD11 ILE A 15 9.454 0.743 4.240 1.00 0.71 H new ATOM 0 HD12 ILE A 15 9.609 -0.775 3.324 1.00 0.71 H new ATOM 0 HD13 ILE A 15 10.859 -0.316 4.505 1.00 0.71 H new ATOM 255 N GLY A 16 14.693 0.282 -0.104 1.00 1.09 N ATOM 256 CA GLY A 16 15.753 -0.439 -0.767 1.00 1.26 C ATOM 257 C GLY A 16 16.897 0.477 -1.140 1.00 1.42 C ATOM 258 O GLY A 16 16.843 1.681 -0.874 1.00 1.52 O ATOM 0 H GLY A 16 14.974 1.175 0.302 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.118 -1.232 -0.115 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.362 -0.919 -1.664 1.00 1.26 H new ATOM 262 N ASP A 17 17.922 -0.085 -1.763 1.00 1.55 N ATOM 263 CA ASP A 17 19.090 0.685 -2.168 1.00 1.74 C ATOM 264 C ASP A 17 18.763 1.574 -3.357 1.00 1.66 C ATOM 265 O ASP A 17 19.041 2.775 -3.348 1.00 1.78 O ATOM 266 CB ASP A 17 20.247 -0.249 -2.528 1.00 1.95 C ATOM 267 CG ASP A 17 21.474 0.509 -2.992 1.00 2.20 C ATOM 268 OD1 ASP A 17 22.307 0.884 -2.145 1.00 2.62 O ATOM 269 OD2 ASP A 17 21.608 0.736 -4.213 1.00 2.14 O ATOM 0 H ASP A 17 17.969 -1.076 -2.000 1.00 1.55 H new ATOM 0 HA ASP A 17 19.386 1.314 -1.329 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.504 -0.856 -1.660 1.00 1.95 H new ATOM 0 HB3 ASP A 17 19.927 -0.934 -3.313 1.00 1.95 H new ATOM 274 N ASP A 18 18.153 0.978 -4.369 1.00 1.53 N ATOM 275 CA ASP A 18 17.789 1.696 -5.580 1.00 1.48 C ATOM 276 C ASP A 18 16.365 1.334 -5.986 1.00 1.37 C ATOM 277 O ASP A 18 15.821 0.351 -5.498 1.00 1.29 O ATOM 278 CB ASP A 18 18.776 1.338 -6.695 1.00 1.53 C ATOM 279 CG ASP A 18 18.499 2.064 -7.992 1.00 1.47 C ATOM 280 OD1 ASP A 18 18.871 3.249 -8.099 1.00 1.60 O ATOM 281 OD2 ASP A 18 17.899 1.461 -8.905 1.00 1.41 O ATOM 0 H ASP A 18 17.898 -0.010 -4.375 1.00 1.53 H new ATOM 0 HA ASP A 18 17.833 2.770 -5.400 1.00 1.48 H new ATOM 0 HB2 ASP A 18 19.788 1.572 -6.364 1.00 1.53 H new ATOM 0 HB3 ASP A 18 18.739 0.263 -6.873 1.00 1.53 H new ATOM 286 N GLU A 19 15.762 2.124 -6.868 1.00 1.41 N ATOM 287 CA GLU A 19 14.401 1.866 -7.325 1.00 1.38 C ATOM 288 C GLU A 19 14.344 0.628 -8.222 1.00 1.34 C ATOM 289 O GLU A 19 13.296 -0.005 -8.356 1.00 1.34 O ATOM 290 CB GLU A 19 13.838 3.090 -8.052 1.00 1.49 C ATOM 291 CG GLU A 19 13.336 4.166 -7.101 1.00 1.76 C ATOM 292 CD GLU A 19 12.751 5.368 -7.814 1.00 2.08 C ATOM 293 OE1 GLU A 19 13.523 6.275 -8.193 1.00 2.43 O ATOM 294 OE2 GLU A 19 11.514 5.422 -7.984 1.00 2.72 O ATOM 0 H GLU A 19 16.195 2.950 -7.281 1.00 1.41 H new ATOM 0 HA GLU A 19 13.783 1.670 -6.449 1.00 1.38 H new ATOM 0 HB2 GLU A 19 14.611 3.512 -8.694 1.00 1.49 H new ATOM 0 HB3 GLU A 19 13.021 2.776 -8.701 1.00 1.49 H new ATOM 0 HG2 GLU A 19 12.579 3.737 -6.445 1.00 1.76 H new ATOM 0 HG3 GLU A 19 14.159 4.494 -6.466 1.00 1.76 H new ATOM 301 N ASN A 20 15.472 0.289 -8.840 1.00 1.37 N ATOM 302 CA ASN A 20 15.549 -0.892 -9.698 1.00 1.39 C ATOM 303 C ASN A 20 15.918 -2.105 -8.854 1.00 1.40 C ATOM 304 O ASN A 20 15.628 -3.246 -9.210 1.00 1.52 O ATOM 305 CB ASN A 20 16.578 -0.685 -10.814 1.00 1.48 C ATOM 306 CG ASN A 20 16.650 -1.850 -11.785 1.00 2.08 C ATOM 307 OD1 ASN A 20 17.470 -2.756 -11.632 1.00 2.92 O ATOM 308 ND2 ASN A 20 15.799 -1.826 -12.799 1.00 2.15 N ATOM 0 H ASN A 20 16.344 0.813 -8.764 1.00 1.37 H new ATOM 0 HA ASN A 20 14.577 -1.057 -10.164 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.330 0.223 -11.364 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.561 -0.530 -10.369 1.00 1.48 H new ATOM 0 HD21 ASN A 20 15.807 -2.577 -13.490 1.00 2.15 H new ATOM 0 HD22 ASN A 20 15.135 -1.057 -12.890 1.00 2.15 H new ATOM 315 N ASN A 21 16.547 -1.836 -7.719 1.00 1.36 N ATOM 316 CA ASN A 21 16.958 -2.880 -6.787 1.00 1.38 C ATOM 317 C ASN A 21 16.298 -2.637 -5.440 1.00 1.25 C ATOM 318 O ASN A 21 16.960 -2.592 -4.401 1.00 1.23 O ATOM 319 CB ASN A 21 18.482 -2.895 -6.631 1.00 1.54 C ATOM 320 CG ASN A 21 19.181 -3.677 -7.724 1.00 1.92 C ATOM 321 OD1 ASN A 21 18.620 -4.613 -8.297 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.416 -3.304 -8.020 1.00 2.45 N ATOM 0 H ASN A 21 16.787 -0.892 -7.417 1.00 1.36 H new ATOM 0 HA ASN A 21 16.646 -3.849 -7.178 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.852 -1.870 -6.632 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.738 -3.325 -5.663 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.938 -3.797 -8.745 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.846 -2.524 -7.523 1.00 2.45 H new ATOM 329 N ALA A 22 14.985 -2.465 -5.467 1.00 1.19 N ATOM 330 CA ALA A 22 14.226 -2.200 -4.257 1.00 1.09 C ATOM 331 C ALA A 22 13.705 -3.486 -3.644 1.00 1.06 C ATOM 332 O ALA A 22 13.408 -4.450 -4.352 1.00 1.14 O ATOM 333 CB ALA A 22 13.068 -1.252 -4.550 1.00 1.04 C ATOM 0 H ALA A 22 14.423 -2.505 -6.317 1.00 1.19 H new ATOM 0 HA ALA A 22 14.897 -1.728 -3.539 1.00 1.09 H new ATOM 0 HB1 ALA A 22 12.510 -1.064 -3.632 1.00 1.04 H new ATOM 0 HB2 ALA A 22 13.458 -0.310 -4.937 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.407 -1.703 -5.291 1.00 1.04 H new ATOM 339 N LEU A 23 13.602 -3.497 -2.323 1.00 0.99 N ATOM 340 CA LEU A 23 13.096 -4.656 -1.607 1.00 0.99 C ATOM 341 C LEU A 23 11.589 -4.721 -1.786 1.00 0.87 C ATOM 342 O LEU A 23 11.010 -5.797 -1.940 1.00 0.95 O ATOM 343 CB LEU A 23 13.448 -4.569 -0.115 1.00 1.05 C ATOM 344 CG LEU A 23 14.918 -4.279 0.193 1.00 1.25 C ATOM 345 CD1 LEU A 23 15.113 -4.046 1.684 1.00 1.39 C ATOM 346 CD2 LEU A 23 15.799 -5.420 -0.290 1.00 1.37 C ATOM 0 H LEU A 23 13.863 -2.713 -1.725 1.00 0.99 H new ATOM 0 HA LEU A 23 13.557 -5.558 -2.009 1.00 0.99 H new ATOM 0 HB2 LEU A 23 12.838 -3.789 0.341 1.00 1.05 H new ATOM 0 HB3 LEU A 23 13.172 -5.509 0.362 1.00 1.05 H new ATOM 0 HG LEU A 23 15.210 -3.373 -0.338 1.00 1.25 H new ATOM 0 HD11 LEU A 23 16.164 -3.841 1.886 1.00 1.39 H new ATOM 0 HD12 LEU A 23 14.510 -3.195 2.001 1.00 1.39 H new ATOM 0 HD13 LEU A 23 14.804 -4.935 2.235 1.00 1.39 H new ATOM 0 HD21 LEU A 23 16.841 -5.196 -0.062 1.00 1.37 H new ATOM 0 HD22 LEU A 23 15.508 -6.342 0.212 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.680 -5.540 -1.367 1.00 1.37 H new ATOM 358 N ALA A 24 10.967 -3.545 -1.777 1.00 0.77 N ATOM 359 CA ALA A 24 9.528 -3.428 -1.946 1.00 0.66 C ATOM 360 C ALA A 24 9.120 -1.966 -2.086 1.00 0.60 C ATOM 361 O ALA A 24 9.732 -1.084 -1.479 1.00 0.67 O ATOM 362 CB ALA A 24 8.809 -4.066 -0.770 1.00 0.71 C ATOM 0 H ALA A 24 11.446 -2.653 -1.653 1.00 0.77 H new ATOM 0 HA ALA A 24 9.244 -3.952 -2.859 1.00 0.66 H new ATOM 0 HB1 ALA A 24 7.732 -3.972 -0.908 1.00 0.71 H new ATOM 0 HB2 ALA A 24 9.076 -5.121 -0.709 1.00 0.71 H new ATOM 0 HB3 ALA A 24 9.102 -3.563 0.152 1.00 0.71 H new ATOM 368 N GLU A 25 8.103 -1.714 -2.901 1.00 0.54 N ATOM 369 CA GLU A 25 7.606 -0.362 -3.102 1.00 0.52 C ATOM 370 C GLU A 25 6.086 -0.363 -3.231 1.00 0.43 C ATOM 371 O GLU A 25 5.497 -1.267 -3.832 1.00 0.45 O ATOM 372 CB GLU A 25 8.241 0.286 -4.341 1.00 0.65 C ATOM 373 CG GLU A 25 7.787 -0.308 -5.666 1.00 0.84 C ATOM 374 CD GLU A 25 7.748 0.720 -6.778 1.00 0.87 C ATOM 375 OE1 GLU A 25 8.652 1.586 -6.834 1.00 1.33 O ATOM 376 OE2 GLU A 25 6.818 0.670 -7.607 1.00 1.02 O ATOM 0 H GLU A 25 7.607 -2.430 -3.433 1.00 0.54 H new ATOM 0 HA GLU A 25 7.886 0.227 -2.229 1.00 0.52 H new ATOM 0 HB2 GLU A 25 8.010 1.351 -4.337 1.00 0.65 H new ATOM 0 HB3 GLU A 25 9.325 0.194 -4.268 1.00 0.65 H new ATOM 0 HG2 GLU A 25 8.460 -1.118 -5.947 1.00 0.84 H new ATOM 0 HG3 GLU A 25 6.796 -0.745 -5.544 1.00 0.84 H new ATOM 383 N ILE A 26 5.456 0.641 -2.646 1.00 0.40 N ATOM 384 CA ILE A 26 4.014 0.778 -2.702 1.00 0.33 C ATOM 385 C ILE A 26 3.648 2.112 -3.340 1.00 0.33 C ATOM 386 O ILE A 26 4.263 3.138 -3.051 1.00 0.38 O ATOM 387 CB ILE A 26 3.367 0.654 -1.297 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.840 0.630 -1.407 1.00 0.30 C ATOM 389 CG2 ILE A 26 3.817 1.790 -0.384 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.147 0.151 -0.150 1.00 0.34 C ATOM 0 H ILE A 26 5.927 1.379 -2.123 1.00 0.40 H new ATOM 0 HA ILE A 26 3.622 -0.036 -3.312 1.00 0.33 H new ATOM 0 HB ILE A 26 3.699 -0.286 -0.857 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.486 1.633 -1.647 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.554 -0.016 -2.237 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.348 1.678 0.594 1.00 0.41 H new ATOM 0 HG22 ILE A 26 4.901 1.760 -0.273 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.524 2.745 -0.820 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.068 0.161 -0.303 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.471 -0.864 0.080 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.402 0.810 0.680 1.00 0.34 H new ATOM 402 N THR A 27 2.668 2.087 -4.223 1.00 0.33 N ATOM 403 CA THR A 27 2.230 3.288 -4.911 1.00 0.35 C ATOM 404 C THR A 27 0.765 3.565 -4.608 1.00 0.37 C ATOM 405 O THR A 27 -0.024 2.635 -4.445 1.00 0.41 O ATOM 406 CB THR A 27 2.418 3.139 -6.432 1.00 0.40 C ATOM 407 OG1 THR A 27 1.982 1.843 -6.842 1.00 0.60 O ATOM 408 CG2 THR A 27 3.873 3.324 -6.829 1.00 0.51 C ATOM 0 H THR A 27 2.157 1.243 -4.482 1.00 0.33 H new ATOM 0 HA THR A 27 2.836 4.122 -4.557 1.00 0.35 H new ATOM 0 HB THR A 27 1.825 3.910 -6.924 1.00 0.40 H new ATOM 0 HG1 THR A 27 2.449 1.160 -6.317 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.973 3.213 -7.909 1.00 0.51 H new ATOM 0 HG22 THR A 27 4.207 4.319 -6.534 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.485 2.573 -6.329 1.00 0.51 H new ATOM 416 N TYR A 28 0.400 4.834 -4.527 1.00 0.39 N ATOM 417 CA TYR A 28 -0.978 5.202 -4.249 1.00 0.45 C ATOM 418 C TYR A 28 -1.384 6.406 -5.084 1.00 0.48 C ATOM 419 O TYR A 28 -0.540 7.206 -5.486 1.00 0.68 O ATOM 420 CB TYR A 28 -1.181 5.488 -2.755 1.00 0.48 C ATOM 421 CG TYR A 28 -0.325 6.609 -2.210 1.00 0.49 C ATOM 422 CD1 TYR A 28 0.961 6.364 -1.748 1.00 0.51 C ATOM 423 CD2 TYR A 28 -0.808 7.910 -2.150 1.00 0.59 C ATOM 424 CE1 TYR A 28 1.744 7.383 -1.243 1.00 0.60 C ATOM 425 CE2 TYR A 28 -0.032 8.933 -1.647 1.00 0.66 C ATOM 426 CZ TYR A 28 1.243 8.665 -1.196 1.00 0.65 C ATOM 427 OH TYR A 28 2.017 9.684 -0.693 1.00 0.76 O ATOM 0 H TYR A 28 1.035 5.623 -4.649 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.615 4.360 -4.520 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.229 5.732 -2.584 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -0.969 4.579 -2.192 1.00 0.48 H new ATOM 0 HD1 TYR A 28 1.356 5.359 -1.784 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -1.806 8.124 -2.503 1.00 0.59 H new ATOM 0 HE1 TYR A 28 2.743 7.176 -0.887 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -0.421 9.940 -1.607 1.00 0.66 H new ATOM 0 HH TYR A 28 1.516 10.525 -0.732 1.00 0.76 H new ATOM 437 N ARG A 29 -2.670 6.519 -5.353 1.00 0.42 N ATOM 438 CA ARG A 29 -3.190 7.620 -6.145 1.00 0.48 C ATOM 439 C ARG A 29 -4.446 8.191 -5.500 1.00 0.48 C ATOM 440 O ARG A 29 -5.107 7.521 -4.702 1.00 0.49 O ATOM 441 CB ARG A 29 -3.504 7.152 -7.568 1.00 0.56 C ATOM 442 CG ARG A 29 -3.191 8.187 -8.635 1.00 0.93 C ATOM 443 CD ARG A 29 -1.691 8.369 -8.810 1.00 1.22 C ATOM 444 NE ARG A 29 -1.011 7.098 -9.062 1.00 1.83 N ATOM 445 CZ ARG A 29 0.312 6.958 -9.132 1.00 2.81 C ATOM 446 NH1 ARG A 29 1.104 8.010 -8.974 1.00 3.23 N ATOM 447 NH2 ARG A 29 0.838 5.760 -9.364 1.00 3.63 N ATOM 0 H ARG A 29 -3.379 5.859 -5.033 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.430 8.400 -6.189 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -2.936 6.245 -7.776 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.560 6.888 -7.629 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.635 7.881 -9.582 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -3.645 9.140 -8.364 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -1.503 9.052 -9.639 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.275 8.832 -7.915 1.00 1.22 H new ATOM 0 HE ARG A 29 -1.587 6.266 -9.192 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.701 8.930 -8.798 1.00 3.23 H new ATOM 0 HH12 ARG A 29 2.116 7.899 -9.028 1.00 3.23 H new ATOM 0 HH21 ARG A 29 0.229 4.951 -9.488 1.00 3.63 H new ATOM 0 HH22 ARG A 29 1.851 5.649 -9.418 1.00 3.63 H new ATOM 461 N PHE A 30 -4.769 9.423 -5.850 1.00 0.56 N ATOM 462 CA PHE A 30 -5.947 10.081 -5.316 1.00 0.60 C ATOM 463 C PHE A 30 -7.101 9.936 -6.299 1.00 0.68 C ATOM 464 O PHE A 30 -7.081 10.520 -7.383 1.00 0.83 O ATOM 465 CB PHE A 30 -5.664 11.563 -5.045 1.00 0.66 C ATOM 466 CG PHE A 30 -4.715 11.802 -3.900 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.353 11.595 -4.055 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.189 12.229 -2.672 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.483 11.811 -3.004 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.324 12.447 -1.617 1.00 0.80 C ATOM 471 CZ PHE A 30 -2.969 12.236 -1.783 1.00 0.82 C ATOM 0 H PHE A 30 -4.229 9.990 -6.504 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.216 9.609 -4.371 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.251 12.015 -5.947 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.606 12.071 -4.836 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -2.968 11.261 -5.007 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.248 12.394 -2.537 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.424 11.648 -3.137 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -4.707 12.782 -0.664 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.291 12.403 -0.959 1.00 0.82 H new ATOM 481 N VAL A 31 -8.093 9.140 -5.928 1.00 0.62 N ATOM 482 CA VAL A 31 -9.252 8.911 -6.788 1.00 0.70 C ATOM 483 C VAL A 31 -10.225 10.083 -6.710 1.00 0.73 C ATOM 484 O VAL A 31 -11.011 10.320 -7.625 1.00 0.83 O ATOM 485 CB VAL A 31 -9.989 7.601 -6.423 1.00 0.72 C ATOM 486 CG1 VAL A 31 -9.086 6.391 -6.641 1.00 0.84 C ATOM 487 CG2 VAL A 31 -10.496 7.644 -4.987 1.00 0.67 C ATOM 0 H VAL A 31 -8.122 8.641 -5.039 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.878 8.820 -7.808 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.851 7.505 -7.083 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.626 5.482 -6.378 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.786 6.345 -7.688 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -8.199 6.481 -6.013 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -11.011 6.712 -4.755 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.654 7.773 -4.307 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -11.187 8.479 -4.870 1.00 0.67 H new ATOM 497 N ASP A 32 -10.152 10.819 -5.613 1.00 0.72 N ATOM 498 CA ASP A 32 -11.017 11.966 -5.399 1.00 0.84 C ATOM 499 C ASP A 32 -10.223 13.075 -4.719 1.00 0.97 C ATOM 500 O ASP A 32 -9.610 13.908 -5.384 1.00 1.74 O ATOM 501 CB ASP A 32 -12.236 11.565 -4.558 1.00 0.84 C ATOM 502 CG ASP A 32 -13.208 12.708 -4.327 1.00 0.97 C ATOM 503 OD1 ASP A 32 -13.291 13.613 -5.181 1.00 1.16 O ATOM 504 OD2 ASP A 32 -13.896 12.698 -3.284 1.00 1.16 O ATOM 0 H ASP A 32 -9.497 10.640 -4.852 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.382 12.332 -6.359 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.759 10.748 -5.055 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -11.895 11.186 -3.594 1.00 0.84 H new ATOM 509 N ASN A 33 -10.202 13.059 -3.392 1.00 0.89 N ATOM 510 CA ASN A 33 -9.462 14.054 -2.625 1.00 0.95 C ATOM 511 C ASN A 33 -9.009 13.474 -1.293 1.00 0.84 C ATOM 512 O ASN A 33 -7.823 13.497 -0.966 1.00 1.07 O ATOM 513 CB ASN A 33 -10.319 15.301 -2.385 1.00 1.09 C ATOM 514 CG ASN A 33 -9.695 16.256 -1.380 1.00 1.82 C ATOM 515 OD1 ASN A 33 -9.981 16.191 -0.183 1.00 2.09 O ATOM 516 ND2 ASN A 33 -8.835 17.142 -1.854 1.00 2.72 N ATOM 0 H ASN A 33 -10.690 12.367 -2.823 1.00 0.89 H new ATOM 0 HA ASN A 33 -8.583 14.339 -3.203 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -10.469 15.822 -3.331 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.304 14.997 -2.029 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -8.383 17.803 -1.222 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -8.624 17.165 -2.852 1.00 2.72 H new ATOM 523 N ASN A 34 -9.961 12.954 -0.534 1.00 0.73 N ATOM 524 CA ASN A 34 -9.672 12.369 0.769 1.00 0.86 C ATOM 525 C ASN A 34 -9.656 10.847 0.674 1.00 0.88 C ATOM 526 O ASN A 34 -9.661 10.144 1.682 1.00 1.22 O ATOM 527 CB ASN A 34 -10.713 12.824 1.798 1.00 1.01 C ATOM 528 CG ASN A 34 -10.165 12.848 3.212 1.00 1.35 C ATOM 529 OD1 ASN A 34 -9.018 13.231 3.440 1.00 1.84 O ATOM 530 ND2 ASN A 34 -10.980 12.439 4.170 1.00 1.83 N ATOM 0 H ASN A 34 -10.946 12.925 -0.798 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.688 12.709 1.093 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -11.069 13.820 1.533 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -11.574 12.157 1.757 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -10.665 12.433 5.140 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -11.924 12.129 3.939 1.00 1.83 H new ATOM 537 N GLU A 35 -9.637 10.346 -0.551 1.00 0.64 N ATOM 538 CA GLU A 35 -9.624 8.912 -0.791 1.00 0.62 C ATOM 539 C GLU A 35 -8.403 8.527 -1.618 1.00 0.57 C ATOM 540 O GLU A 35 -8.213 9.030 -2.729 1.00 0.59 O ATOM 541 CB GLU A 35 -10.906 8.482 -1.506 1.00 0.68 C ATOM 542 CG GLU A 35 -12.092 8.300 -0.573 1.00 1.01 C ATOM 543 CD GLU A 35 -13.356 8.960 -1.085 1.00 1.41 C ATOM 544 OE1 GLU A 35 -13.677 8.799 -2.278 1.00 1.47 O ATOM 545 OE2 GLU A 35 -14.041 9.640 -0.289 1.00 2.25 O ATOM 0 H GLU A 35 -9.630 10.914 -1.398 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.572 8.398 0.169 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -11.159 9.227 -2.260 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.722 7.546 -2.033 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.276 7.235 -0.433 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.844 8.712 0.405 1.00 1.01 H new ATOM 552 N ILE A 36 -7.573 7.653 -1.066 1.00 0.52 N ATOM 553 CA ILE A 36 -6.372 7.203 -1.754 1.00 0.48 C ATOM 554 C ILE A 36 -6.433 5.708 -2.024 1.00 0.46 C ATOM 555 O ILE A 36 -6.744 4.915 -1.135 1.00 0.53 O ATOM 556 CB ILE A 36 -5.089 7.524 -0.957 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.304 7.300 0.543 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.639 8.950 -1.231 1.00 0.51 C ATOM 559 CD1 ILE A 36 -4.035 7.427 1.363 1.00 0.51 C ATOM 0 H ILE A 36 -7.710 7.241 -0.143 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.332 7.746 -2.698 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.303 6.844 -1.286 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -6.036 8.020 0.908 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.728 6.308 0.697 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.734 9.161 -0.662 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.435 9.069 -2.295 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.425 9.643 -0.932 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.263 7.256 2.415 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.308 6.689 1.025 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.621 8.428 1.240 1.00 0.51 H new ATOM 571 N ASN A 37 -6.143 5.333 -3.258 1.00 0.44 N ATOM 572 CA ASN A 37 -6.162 3.936 -3.655 1.00 0.46 C ATOM 573 C ASN A 37 -4.747 3.455 -3.938 1.00 0.42 C ATOM 574 O ASN A 37 -3.926 4.193 -4.488 1.00 0.50 O ATOM 575 CB ASN A 37 -7.063 3.735 -4.889 1.00 0.54 C ATOM 576 CG ASN A 37 -6.307 3.798 -6.207 1.00 0.86 C ATOM 577 OD1 ASN A 37 -5.926 4.872 -6.672 1.00 1.82 O ATOM 578 ND2 ASN A 37 -6.107 2.648 -6.832 1.00 0.98 N ATOM 0 H ASN A 37 -5.891 5.980 -4.005 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.573 3.345 -2.837 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.562 2.769 -4.811 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -7.842 4.498 -4.889 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -5.623 2.633 -7.730 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -6.437 1.777 -6.416 1.00 0.98 H new ATOM 585 N ILE A 38 -4.451 2.236 -3.521 1.00 0.36 N ATOM 586 CA ILE A 38 -3.140 1.655 -3.758 1.00 0.33 C ATOM 587 C ILE A 38 -3.080 1.124 -5.183 1.00 0.41 C ATOM 588 O ILE A 38 -3.807 0.189 -5.538 1.00 0.53 O ATOM 589 CB ILE A 38 -2.811 0.519 -2.755 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.616 1.083 -1.342 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.564 -0.243 -3.188 1.00 0.37 C ATOM 592 CD1 ILE A 38 -3.899 1.241 -0.555 1.00 0.69 C ATOM 0 H ILE A 38 -5.099 1.630 -3.018 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.394 2.437 -3.613 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.654 -0.172 -2.744 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.943 0.426 -0.790 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -2.126 2.054 -1.415 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.353 -1.035 -2.469 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.729 -0.681 -4.172 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.717 0.441 -3.233 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -3.673 1.645 0.432 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -4.567 1.922 -1.082 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -4.382 0.270 -0.448 1.00 0.69 H new ATOM 604 N ASP A 39 -2.226 1.743 -5.990 1.00 0.52 N ATOM 605 CA ASP A 39 -2.068 1.368 -7.390 1.00 0.73 C ATOM 606 C ASP A 39 -1.427 -0.009 -7.511 1.00 0.50 C ATOM 607 O ASP A 39 -2.101 -0.988 -7.830 1.00 0.64 O ATOM 608 CB ASP A 39 -1.229 2.413 -8.135 1.00 1.08 C ATOM 609 CG ASP A 39 -2.058 3.244 -9.099 1.00 1.73 C ATOM 610 OD1 ASP A 39 -3.211 2.858 -9.391 1.00 2.16 O ATOM 611 OD2 ASP A 39 -1.559 4.290 -9.575 1.00 2.47 O ATOM 0 H ASP A 39 -1.627 2.514 -5.695 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.058 1.328 -7.845 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -0.749 3.072 -7.411 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -0.433 1.911 -8.685 1.00 1.08 H new ATOM 616 N HIS A 40 -0.128 -0.087 -7.250 1.00 0.37 N ATOM 617 CA HIS A 40 0.584 -1.357 -7.327 1.00 0.44 C ATOM 618 C HIS A 40 1.548 -1.513 -6.155 1.00 0.39 C ATOM 619 O HIS A 40 1.971 -0.524 -5.549 1.00 0.42 O ATOM 620 CB HIS A 40 1.324 -1.504 -8.672 1.00 0.72 C ATOM 621 CG HIS A 40 2.513 -0.601 -8.860 1.00 0.72 C ATOM 622 ND1 HIS A 40 2.467 0.574 -9.578 1.00 1.59 N ATOM 623 CD2 HIS A 40 3.791 -0.725 -8.432 1.00 0.92 C ATOM 624 CE1 HIS A 40 3.665 1.131 -9.584 1.00 2.12 C ATOM 625 NE2 HIS A 40 4.488 0.362 -8.892 1.00 1.64 N ATOM 0 H HIS A 40 0.452 0.709 -6.985 1.00 0.37 H new ATOM 0 HA HIS A 40 -0.155 -2.156 -7.266 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.655 -2.538 -8.773 1.00 0.72 H new ATOM 0 HB3 HIS A 40 0.616 -1.316 -9.479 1.00 0.72 H new ATOM 0 HD2 HIS A 40 4.189 -1.533 -7.836 1.00 0.92 H new ATOM 0 HE1 HIS A 40 3.928 2.058 -10.072 1.00 2.12 H new ATOM 0 HE2 HIS A 40 5.478 0.547 -8.728 1.00 1.64 H new ATOM 634 N THR A 41 1.886 -2.754 -5.838 1.00 0.41 N ATOM 635 CA THR A 41 2.791 -3.045 -4.738 1.00 0.45 C ATOM 636 C THR A 41 3.792 -4.125 -5.132 1.00 0.54 C ATOM 637 O THR A 41 3.481 -5.316 -5.081 1.00 0.73 O ATOM 638 CB THR A 41 2.014 -3.514 -3.491 1.00 0.48 C ATOM 639 OG1 THR A 41 0.691 -2.957 -3.501 1.00 0.48 O ATOM 640 CG2 THR A 41 2.736 -3.100 -2.219 1.00 0.55 C ATOM 0 H THR A 41 1.545 -3.579 -6.331 1.00 0.41 H new ATOM 0 HA THR A 41 3.324 -2.123 -4.504 1.00 0.45 H new ATOM 0 HB THR A 41 1.950 -4.602 -3.515 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.169 -3.368 -4.221 1.00 0.48 H new ATOM 0 HG21 THR A 41 2.170 -3.441 -1.352 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.730 -3.547 -2.203 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.826 -2.014 -2.189 1.00 0.55 H new ATOM 648 N GLY A 42 4.979 -3.708 -5.543 1.00 0.55 N ATOM 649 CA GLY A 42 5.999 -4.660 -5.928 1.00 0.66 C ATOM 650 C GLY A 42 6.879 -5.015 -4.752 1.00 0.64 C ATOM 651 O GLY A 42 7.516 -4.143 -4.166 1.00 0.70 O ATOM 0 H GLY A 42 5.254 -2.729 -5.617 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.530 -5.562 -6.321 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.608 -4.242 -6.730 1.00 0.66 H new ATOM 655 N VAL A 43 6.906 -6.289 -4.397 1.00 0.67 N ATOM 656 CA VAL A 43 7.685 -6.752 -3.259 1.00 0.71 C ATOM 657 C VAL A 43 8.568 -7.929 -3.653 1.00 0.74 C ATOM 658 O VAL A 43 8.138 -8.817 -4.385 1.00 0.82 O ATOM 659 CB VAL A 43 6.761 -7.185 -2.097 1.00 0.79 C ATOM 660 CG1 VAL A 43 7.563 -7.520 -0.852 1.00 0.93 C ATOM 661 CG2 VAL A 43 5.734 -6.108 -1.788 1.00 0.80 C ATOM 0 H VAL A 43 6.394 -7.025 -4.883 1.00 0.67 H new ATOM 0 HA VAL A 43 8.311 -5.922 -2.932 1.00 0.71 H new ATOM 0 HB VAL A 43 6.234 -8.084 -2.415 1.00 0.79 H new ATOM 0 HG11 VAL A 43 6.886 -7.821 -0.053 1.00 0.93 H new ATOM 0 HG12 VAL A 43 8.251 -8.337 -1.071 1.00 0.93 H new ATOM 0 HG13 VAL A 43 8.129 -6.643 -0.537 1.00 0.93 H new ATOM 0 HG21 VAL A 43 5.097 -6.438 -0.967 1.00 0.80 H new ATOM 0 HG22 VAL A 43 6.245 -5.188 -1.504 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.122 -5.925 -2.671 1.00 0.80 H new ATOM 671 N SER A 44 9.801 -7.926 -3.179 1.00 0.82 N ATOM 672 CA SER A 44 10.725 -9.010 -3.458 1.00 0.90 C ATOM 673 C SER A 44 10.520 -10.139 -2.452 1.00 1.01 C ATOM 674 O SER A 44 10.073 -9.903 -1.327 1.00 1.32 O ATOM 675 CB SER A 44 12.168 -8.505 -3.395 1.00 1.27 C ATOM 676 OG SER A 44 12.389 -7.473 -4.341 1.00 1.83 O ATOM 0 H SER A 44 10.186 -7.182 -2.597 1.00 0.82 H new ATOM 0 HA SER A 44 10.531 -9.389 -4.462 1.00 0.90 H new ATOM 0 HB2 SER A 44 12.384 -8.136 -2.392 1.00 1.27 H new ATOM 0 HB3 SER A 44 12.854 -9.330 -3.586 1.00 1.27 H new ATOM 0 HG SER A 44 12.734 -6.678 -3.883 1.00 1.83 H new ATOM 682 N ASP A 45 10.841 -11.357 -2.858 1.00 1.10 N ATOM 683 CA ASP A 45 10.692 -12.517 -1.989 1.00 1.45 C ATOM 684 C ASP A 45 11.863 -12.591 -1.022 1.00 1.27 C ATOM 685 O ASP A 45 11.739 -13.095 0.097 1.00 1.73 O ATOM 686 CB ASP A 45 10.613 -13.800 -2.823 1.00 2.05 C ATOM 687 CG ASP A 45 10.230 -15.010 -1.992 1.00 2.57 C ATOM 688 OD1 ASP A 45 9.019 -15.229 -1.780 1.00 2.90 O ATOM 689 OD2 ASP A 45 11.133 -15.755 -1.560 1.00 3.12 O ATOM 0 H ASP A 45 11.207 -11.570 -3.786 1.00 1.10 H new ATOM 0 HA ASP A 45 9.767 -12.416 -1.421 1.00 1.45 H new ATOM 0 HB2 ASP A 45 9.883 -13.666 -3.622 1.00 2.05 H new ATOM 0 HB3 ASP A 45 11.577 -13.980 -3.299 1.00 2.05 H new ATOM 694 N GLU A 46 12.994 -12.062 -1.468 1.00 1.36 N ATOM 695 CA GLU A 46 14.218 -12.041 -0.682 1.00 1.66 C ATOM 696 C GLU A 46 14.111 -11.048 0.473 1.00 1.96 C ATOM 697 O GLU A 46 14.548 -9.901 0.358 1.00 2.52 O ATOM 698 CB GLU A 46 15.415 -11.668 -1.566 1.00 2.19 C ATOM 699 CG GLU A 46 15.361 -12.247 -2.974 1.00 2.65 C ATOM 700 CD GLU A 46 14.650 -11.335 -3.954 1.00 3.34 C ATOM 701 OE1 GLU A 46 13.406 -11.393 -4.036 1.00 3.79 O ATOM 702 OE2 GLU A 46 15.329 -10.555 -4.649 1.00 3.80 O ATOM 0 H GLU A 46 13.088 -11.634 -2.389 1.00 1.36 H new ATOM 0 HA GLU A 46 14.367 -13.040 -0.273 1.00 1.66 H new ATOM 0 HB2 GLU A 46 15.476 -10.582 -1.635 1.00 2.19 H new ATOM 0 HB3 GLU A 46 16.330 -12.009 -1.081 1.00 2.19 H new ATOM 0 HG2 GLU A 46 16.376 -12.431 -3.326 1.00 2.65 H new ATOM 0 HG3 GLU A 46 14.853 -13.211 -2.947 1.00 2.65 H new ATOM 709 N LEU A 47 13.507 -11.499 1.572 1.00 2.08 N ATOM 710 CA LEU A 47 13.334 -10.684 2.775 1.00 2.74 C ATOM 711 C LEU A 47 12.575 -9.393 2.477 1.00 2.84 C ATOM 712 O LEU A 47 12.887 -8.335 3.028 1.00 3.61 O ATOM 713 CB LEU A 47 14.689 -10.364 3.415 1.00 3.16 C ATOM 714 CG LEU A 47 15.430 -11.565 4.009 1.00 3.70 C ATOM 715 CD1 LEU A 47 16.801 -11.148 4.512 1.00 4.35 C ATOM 716 CD2 LEU A 47 14.620 -12.183 5.140 1.00 4.47 C ATOM 0 H LEU A 47 13.123 -12.441 1.654 1.00 2.08 H new ATOM 0 HA LEU A 47 12.741 -11.268 3.479 1.00 2.74 H new ATOM 0 HB2 LEU A 47 15.327 -9.899 2.663 1.00 3.16 H new ATOM 0 HB3 LEU A 47 14.535 -9.626 4.203 1.00 3.16 H new ATOM 0 HG LEU A 47 15.560 -12.311 3.225 1.00 3.70 H new ATOM 0 HD11 LEU A 47 17.314 -12.014 4.931 1.00 4.35 H new ATOM 0 HD12 LEU A 47 17.385 -10.746 3.684 1.00 4.35 H new ATOM 0 HD13 LEU A 47 16.689 -10.385 5.282 1.00 4.35 H new ATOM 0 HD21 LEU A 47 15.161 -13.035 5.551 1.00 4.47 H new ATOM 0 HD22 LEU A 47 14.463 -11.441 5.923 1.00 4.47 H new ATOM 0 HD23 LEU A 47 13.655 -12.516 4.757 1.00 4.47 H new ATOM 728 N GLY A 48 11.578 -9.484 1.611 1.00 2.46 N ATOM 729 CA GLY A 48 10.791 -8.317 1.269 1.00 3.19 C ATOM 730 C GLY A 48 9.452 -8.305 1.977 1.00 3.20 C ATOM 731 O GLY A 48 9.129 -7.366 2.707 1.00 3.86 O ATOM 0 H GLY A 48 11.299 -10.344 1.139 1.00 2.46 H new ATOM 0 HA2 GLY A 48 11.347 -7.416 1.530 1.00 3.19 H new ATOM 0 HA3 GLY A 48 10.631 -8.291 0.191 1.00 3.19 H new ATOM 735 N GLY A 49 8.679 -9.363 1.783 1.00 2.85 N ATOM 736 CA GLY A 49 7.373 -9.456 2.410 1.00 3.05 C ATOM 737 C GLY A 49 7.465 -9.727 3.896 1.00 2.17 C ATOM 738 O GLY A 49 6.480 -9.579 4.622 1.00 2.73 O ATOM 0 H GLY A 49 8.932 -10.162 1.201 1.00 2.85 H new ATOM 0 HA2 GLY A 49 6.827 -8.527 2.246 1.00 3.05 H new ATOM 0 HA3 GLY A 49 6.800 -10.251 1.933 1.00 3.05 H new ATOM 742 N GLN A 50 8.651 -10.121 4.344 1.00 1.42 N ATOM 743 CA GLN A 50 8.890 -10.416 5.751 1.00 1.52 C ATOM 744 C GLN A 50 8.558 -9.211 6.633 1.00 1.37 C ATOM 745 O GLN A 50 7.757 -9.312 7.562 1.00 2.20 O ATOM 746 CB GLN A 50 10.351 -10.834 5.965 1.00 2.43 C ATOM 747 CG GLN A 50 10.583 -12.337 5.889 1.00 2.96 C ATOM 748 CD GLN A 50 10.401 -12.899 4.493 1.00 3.04 C ATOM 749 OE1 GLN A 50 10.647 -12.218 3.496 1.00 3.39 O ATOM 750 NE2 GLN A 50 9.964 -14.147 4.413 1.00 3.44 N ATOM 0 H GLN A 50 9.469 -10.244 3.747 1.00 1.42 H new ATOM 0 HA GLN A 50 8.235 -11.239 6.037 1.00 1.52 H new ATOM 0 HB2 GLN A 50 10.972 -10.343 5.216 1.00 2.43 H new ATOM 0 HB3 GLN A 50 10.682 -10.474 6.939 1.00 2.43 H new ATOM 0 HG2 GLN A 50 11.592 -12.560 6.235 1.00 2.96 H new ATOM 0 HG3 GLN A 50 9.895 -12.839 6.569 1.00 2.96 H new ATOM 0 HE21 GLN A 50 9.772 -14.676 5.264 1.00 3.44 H new ATOM 0 HE22 GLN A 50 9.819 -14.579 3.500 1.00 3.44 H new ATOM 759 N GLY A 51 9.159 -8.070 6.328 1.00 1.01 N ATOM 760 CA GLY A 51 8.910 -6.877 7.112 1.00 1.11 C ATOM 761 C GLY A 51 8.736 -5.628 6.268 1.00 0.88 C ATOM 762 O GLY A 51 7.948 -4.748 6.620 1.00 0.86 O ATOM 0 H GLY A 51 9.813 -7.949 5.554 1.00 1.01 H new ATOM 0 HA2 GLY A 51 8.014 -7.027 7.715 1.00 1.11 H new ATOM 0 HA3 GLY A 51 9.738 -6.726 7.804 1.00 1.11 H new ATOM 766 N VAL A 52 9.452 -5.553 5.148 1.00 0.80 N ATOM 767 CA VAL A 52 9.382 -4.386 4.265 1.00 0.68 C ATOM 768 C VAL A 52 7.957 -4.142 3.776 1.00 0.58 C ATOM 769 O VAL A 52 7.475 -3.010 3.797 1.00 0.56 O ATOM 770 CB VAL A 52 10.310 -4.532 3.039 1.00 0.70 C ATOM 771 CG1 VAL A 52 10.381 -3.230 2.260 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.700 -4.972 3.464 1.00 1.14 C ATOM 0 H VAL A 52 10.087 -6.285 4.829 1.00 0.80 H new ATOM 0 HA VAL A 52 9.714 -3.535 4.860 1.00 0.68 H new ATOM 0 HB VAL A 52 9.891 -5.300 2.389 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.040 -3.356 1.401 1.00 0.91 H new ATOM 0 HG12 VAL A 52 9.383 -2.957 1.915 1.00 0.91 H new ATOM 0 HG13 VAL A 52 10.771 -2.442 2.904 1.00 0.91 H new ATOM 0 HG21 VAL A 52 12.336 -5.068 2.584 1.00 1.14 H new ATOM 0 HG22 VAL A 52 12.126 -4.230 4.140 1.00 1.14 H new ATOM 0 HG23 VAL A 52 11.637 -5.934 3.973 1.00 1.14 H new ATOM 782 N GLY A 53 7.286 -5.210 3.352 1.00 0.59 N ATOM 783 CA GLY A 53 5.919 -5.093 2.864 1.00 0.58 C ATOM 784 C GLY A 53 4.988 -4.452 3.877 1.00 0.51 C ATOM 785 O GLY A 53 4.177 -3.590 3.532 1.00 0.50 O ATOM 0 H GLY A 53 7.664 -6.157 3.337 1.00 0.59 H new ATOM 0 HA2 GLY A 53 5.914 -4.503 1.948 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.543 -6.083 2.607 1.00 0.58 H new ATOM 789 N LYS A 54 5.124 -4.858 5.133 1.00 0.52 N ATOM 790 CA LYS A 54 4.294 -4.325 6.205 1.00 0.50 C ATOM 791 C LYS A 54 4.654 -2.870 6.488 1.00 0.48 C ATOM 792 O LYS A 54 3.786 -2.052 6.799 1.00 0.48 O ATOM 793 CB LYS A 54 4.448 -5.162 7.480 1.00 0.59 C ATOM 794 CG LYS A 54 3.783 -6.530 7.403 1.00 0.75 C ATOM 795 CD LYS A 54 4.801 -7.642 7.209 1.00 1.08 C ATOM 796 CE LYS A 54 4.147 -9.008 7.310 1.00 1.49 C ATOM 797 NZ LYS A 54 5.147 -10.104 7.313 1.00 2.02 N ATOM 0 H LYS A 54 5.803 -5.557 5.435 1.00 0.52 H new ATOM 0 HA LYS A 54 3.254 -4.373 5.882 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.509 -5.296 7.689 1.00 0.59 H new ATOM 0 HB3 LYS A 54 4.025 -4.610 8.319 1.00 0.59 H new ATOM 0 HG2 LYS A 54 3.217 -6.711 8.317 1.00 0.75 H new ATOM 0 HG3 LYS A 54 3.070 -6.542 6.579 1.00 0.75 H new ATOM 0 HD2 LYS A 54 5.279 -7.536 6.235 1.00 1.08 H new ATOM 0 HD3 LYS A 54 5.586 -7.555 7.960 1.00 1.08 H new ATOM 0 HE2 LYS A 54 3.551 -9.058 8.221 1.00 1.49 H new ATOM 0 HE3 LYS A 54 3.462 -9.145 6.473 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 4.780 -10.907 7.863 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 5.331 -10.409 6.336 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 6.032 -9.766 7.742 1.00 2.02 H new ATOM 811 N LYS A 55 5.940 -2.555 6.356 1.00 0.51 N ATOM 812 CA LYS A 55 6.439 -1.204 6.592 1.00 0.54 C ATOM 813 C LYS A 55 5.868 -0.232 5.562 1.00 0.47 C ATOM 814 O LYS A 55 5.583 0.925 5.876 1.00 0.48 O ATOM 815 CB LYS A 55 7.972 -1.190 6.549 1.00 0.65 C ATOM 816 CG LYS A 55 8.609 -0.135 7.440 1.00 1.28 C ATOM 817 CD LYS A 55 10.116 -0.319 7.525 1.00 1.72 C ATOM 818 CE LYS A 55 10.746 0.692 8.467 1.00 2.30 C ATOM 819 NZ LYS A 55 12.197 0.434 8.673 1.00 2.57 N ATOM 0 H LYS A 55 6.661 -3.224 6.084 1.00 0.51 H new ATOM 0 HA LYS A 55 6.114 -0.883 7.582 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.342 -2.172 6.845 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.294 -1.025 5.521 1.00 0.65 H new ATOM 0 HG2 LYS A 55 8.383 0.858 7.050 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.177 -0.191 8.439 1.00 1.28 H new ATOM 0 HD2 LYS A 55 10.342 -1.328 7.869 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.553 -0.215 6.532 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.610 1.696 8.065 1.00 2.30 H new ATOM 0 HE3 LYS A 55 10.232 0.661 9.428 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 12.630 1.250 9.150 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 12.319 -0.416 9.260 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 12.658 0.287 7.752 1.00 2.57 H new ATOM 833 N LEU A 56 5.688 -0.716 4.334 1.00 0.46 N ATOM 834 CA LEU A 56 5.136 0.099 3.257 1.00 0.45 C ATOM 835 C LEU A 56 3.713 0.521 3.590 1.00 0.38 C ATOM 836 O LEU A 56 3.377 1.705 3.560 1.00 0.37 O ATOM 837 CB LEU A 56 5.126 -0.681 1.943 1.00 0.54 C ATOM 838 CG LEU A 56 6.493 -1.068 1.388 1.00 0.65 C ATOM 839 CD1 LEU A 56 6.319 -1.937 0.157 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.313 0.170 1.054 1.00 0.85 C ATOM 0 H LEU A 56 5.918 -1.672 4.061 1.00 0.46 H new ATOM 0 HA LEU A 56 5.765 0.982 3.149 1.00 0.45 H new ATOM 0 HB2 LEU A 56 4.543 -1.591 2.087 1.00 0.54 H new ATOM 0 HB3 LEU A 56 4.606 -0.085 1.193 1.00 0.54 H new ATOM 0 HG LEU A 56 7.032 -1.632 2.149 1.00 0.65 H new ATOM 0 HD11 LEU A 56 7.298 -2.211 -0.236 1.00 0.86 H new ATOM 0 HD12 LEU A 56 5.769 -2.840 0.424 1.00 0.86 H new ATOM 0 HD13 LEU A 56 5.765 -1.386 -0.602 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.283 -0.132 0.660 1.00 0.85 H new ATOM 0 HD22 LEU A 56 6.787 0.764 0.307 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.457 0.765 1.956 1.00 0.85 H new ATOM 852 N LEU A 57 2.878 -0.465 3.911 1.00 0.37 N ATOM 853 CA LEU A 57 1.487 -0.207 4.252 1.00 0.36 C ATOM 854 C LEU A 57 1.397 0.616 5.528 1.00 0.34 C ATOM 855 O LEU A 57 0.471 1.404 5.700 1.00 0.37 O ATOM 856 CB LEU A 57 0.713 -1.517 4.416 1.00 0.43 C ATOM 857 CG LEU A 57 0.094 -2.072 3.131 1.00 0.72 C ATOM 858 CD1 LEU A 57 1.160 -2.691 2.241 1.00 1.29 C ATOM 859 CD2 LEU A 57 -0.984 -3.091 3.460 1.00 0.71 C ATOM 0 H LEU A 57 3.144 -1.449 3.941 1.00 0.37 H new ATOM 0 HA LEU A 57 1.038 0.358 3.435 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.385 -2.268 4.831 1.00 0.43 H new ATOM 0 HB3 LEU A 57 -0.082 -1.362 5.146 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.364 -1.246 2.587 1.00 0.72 H new ATOM 0 HD11 LEU A 57 0.696 -3.079 1.334 1.00 1.29 H new ATOM 0 HD12 LEU A 57 1.898 -1.934 1.976 1.00 1.29 H new ATOM 0 HD13 LEU A 57 1.651 -3.505 2.774 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -1.415 -3.476 2.536 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.547 -3.913 4.027 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -1.765 -2.616 4.054 1.00 0.71 H new ATOM 871 N LYS A 58 2.373 0.433 6.411 1.00 0.36 N ATOM 872 CA LYS A 58 2.421 1.168 7.665 1.00 0.42 C ATOM 873 C LYS A 58 2.469 2.668 7.394 1.00 0.41 C ATOM 874 O LYS A 58 1.708 3.432 7.979 1.00 0.44 O ATOM 875 CB LYS A 58 3.642 0.732 8.478 1.00 0.50 C ATOM 876 CG LYS A 58 3.836 1.499 9.777 1.00 0.74 C ATOM 877 CD LYS A 58 5.025 0.969 10.562 1.00 1.10 C ATOM 878 CE LYS A 58 5.337 1.844 11.765 1.00 1.13 C ATOM 879 NZ LYS A 58 5.943 3.146 11.369 1.00 1.39 N ATOM 0 H LYS A 58 3.144 -0.222 6.278 1.00 0.36 H new ATOM 0 HA LYS A 58 1.521 0.950 8.240 1.00 0.42 H new ATOM 0 HB2 LYS A 58 3.551 -0.330 8.707 1.00 0.50 H new ATOM 0 HB3 LYS A 58 4.534 0.850 7.863 1.00 0.50 H new ATOM 0 HG2 LYS A 58 3.985 2.556 9.558 1.00 0.74 H new ATOM 0 HG3 LYS A 58 2.934 1.423 10.384 1.00 0.74 H new ATOM 0 HD2 LYS A 58 4.817 -0.048 10.895 1.00 1.10 H new ATOM 0 HD3 LYS A 58 5.898 0.919 9.911 1.00 1.10 H new ATOM 0 HE2 LYS A 58 4.421 2.027 12.327 1.00 1.13 H new ATOM 0 HE3 LYS A 58 6.019 1.315 12.431 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 5.999 3.770 12.199 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 6.899 2.984 10.993 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 5.355 3.595 10.638 1.00 1.39 H new ATOM 893 N ALA A 59 3.348 3.074 6.481 1.00 0.43 N ATOM 894 CA ALA A 59 3.494 4.482 6.121 1.00 0.48 C ATOM 895 C ALA A 59 2.198 5.035 5.543 1.00 0.44 C ATOM 896 O ALA A 59 1.789 6.154 5.857 1.00 0.47 O ATOM 897 CB ALA A 59 4.627 4.651 5.124 1.00 0.56 C ATOM 0 H ALA A 59 3.972 2.445 5.975 1.00 0.43 H new ATOM 0 HA ALA A 59 3.729 5.043 7.026 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.727 5.704 4.862 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.558 4.297 5.567 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.410 4.073 4.226 1.00 0.56 H new ATOM 903 N VAL A 60 1.553 4.239 4.700 1.00 0.39 N ATOM 904 CA VAL A 60 0.297 4.638 4.081 1.00 0.38 C ATOM 905 C VAL A 60 -0.782 4.815 5.147 1.00 0.37 C ATOM 906 O VAL A 60 -1.487 5.826 5.169 1.00 0.40 O ATOM 907 CB VAL A 60 -0.169 3.601 3.036 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.469 4.038 2.377 1.00 0.44 C ATOM 909 CG2 VAL A 60 0.910 3.373 1.988 1.00 0.41 C ATOM 0 H VAL A 60 1.880 3.312 4.429 1.00 0.39 H new ATOM 0 HA VAL A 60 0.464 5.587 3.571 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.351 2.660 3.554 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.775 3.290 1.645 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.245 4.142 3.136 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -1.320 4.995 1.877 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.562 2.639 1.261 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.128 4.312 1.480 1.00 0.41 H new ATOM 0 HG23 VAL A 60 1.815 3.004 2.471 1.00 0.41 H new ATOM 919 N VAL A 61 -0.884 3.838 6.045 1.00 0.36 N ATOM 920 CA VAL A 61 -1.864 3.885 7.124 1.00 0.40 C ATOM 921 C VAL A 61 -1.581 5.065 8.047 1.00 0.44 C ATOM 922 O VAL A 61 -2.500 5.764 8.472 1.00 0.49 O ATOM 923 CB VAL A 61 -1.878 2.570 7.938 1.00 0.43 C ATOM 924 CG1 VAL A 61 -2.778 2.689 9.161 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.327 1.411 7.060 1.00 0.43 C ATOM 0 H VAL A 61 -0.298 3.003 6.046 1.00 0.36 H new ATOM 0 HA VAL A 61 -2.847 4.011 6.670 1.00 0.40 H new ATOM 0 HB VAL A 61 -0.863 2.377 8.286 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -2.768 1.749 9.713 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -2.415 3.491 9.803 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -3.797 2.912 8.843 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.332 0.492 7.646 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.331 1.607 6.684 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.640 1.303 6.221 1.00 0.43 H new ATOM 935 N GLU A 62 -0.303 5.292 8.337 1.00 0.47 N ATOM 936 CA GLU A 62 0.107 6.399 9.192 1.00 0.54 C ATOM 937 C GLU A 62 -0.363 7.723 8.608 1.00 0.55 C ATOM 938 O GLU A 62 -1.027 8.509 9.282 1.00 0.61 O ATOM 939 CB GLU A 62 1.627 6.423 9.354 1.00 0.61 C ATOM 940 CG GLU A 62 2.161 5.400 10.341 1.00 1.05 C ATOM 941 CD GLU A 62 3.642 5.574 10.595 1.00 1.17 C ATOM 942 OE1 GLU A 62 4.017 6.496 11.355 1.00 1.76 O ATOM 943 OE2 GLU A 62 4.442 4.800 10.037 1.00 1.53 O ATOM 0 H GLU A 62 0.468 4.721 7.991 1.00 0.47 H new ATOM 0 HA GLU A 62 -0.351 6.256 10.171 1.00 0.54 H new ATOM 0 HB2 GLU A 62 2.088 6.249 8.382 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.932 7.418 9.678 1.00 0.61 H new ATOM 0 HG2 GLU A 62 1.619 5.488 11.283 1.00 1.05 H new ATOM 0 HG3 GLU A 62 1.975 4.396 9.959 1.00 1.05 H new ATOM 950 N HIS A 63 -0.035 7.955 7.340 1.00 0.54 N ATOM 951 CA HIS A 63 -0.425 9.185 6.664 1.00 0.61 C ATOM 952 C HIS A 63 -1.945 9.292 6.583 1.00 0.61 C ATOM 953 O HIS A 63 -2.503 10.389 6.619 1.00 0.69 O ATOM 954 CB HIS A 63 0.194 9.249 5.267 1.00 0.67 C ATOM 955 CG HIS A 63 0.476 10.649 4.808 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.975 11.632 5.640 1.00 0.85 N ATOM 957 CD2 HIS A 63 0.326 11.229 3.595 1.00 0.97 C ATOM 958 CE1 HIS A 63 1.118 12.753 4.957 1.00 0.97 C ATOM 959 NE2 HIS A 63 0.731 12.534 3.716 1.00 1.04 N ATOM 0 H HIS A 63 0.500 7.307 6.762 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.052 10.029 7.243 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.123 8.678 5.262 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -0.479 8.769 4.556 1.00 0.67 H new ATOM 0 HD1 HIS A 63 1.198 11.511 6.628 1.00 0.85 H new ATOM 0 HD2 HIS A 63 -0.044 10.753 2.699 1.00 0.97 H new ATOM 0 HE1 HIS A 63 1.489 13.689 5.348 1.00 0.97 H new ATOM 968 N ALA A 64 -2.608 8.145 6.483 1.00 0.56 N ATOM 969 CA ALA A 64 -4.061 8.105 6.426 1.00 0.62 C ATOM 970 C ALA A 64 -4.647 8.533 7.762 1.00 0.70 C ATOM 971 O ALA A 64 -5.711 9.132 7.815 1.00 0.85 O ATOM 972 CB ALA A 64 -4.549 6.718 6.047 1.00 0.61 C ATOM 0 H ALA A 64 -2.159 7.230 6.440 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.397 8.801 5.657 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.638 6.713 6.011 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -4.152 6.447 5.069 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.207 5.997 6.789 1.00 0.61 H new ATOM 978 N ARG A 65 -3.940 8.228 8.838 1.00 0.69 N ATOM 979 CA ARG A 65 -4.382 8.607 10.173 1.00 0.82 C ATOM 980 C ARG A 65 -4.160 10.101 10.390 1.00 0.85 C ATOM 981 O ARG A 65 -4.935 10.769 11.075 1.00 0.96 O ATOM 982 CB ARG A 65 -3.614 7.820 11.236 1.00 0.89 C ATOM 983 CG ARG A 65 -3.876 6.321 11.221 1.00 1.36 C ATOM 984 CD ARG A 65 -5.320 6.002 11.567 1.00 1.44 C ATOM 985 NE ARG A 65 -5.500 4.602 11.950 1.00 2.20 N ATOM 986 CZ ARG A 65 -6.685 4.006 12.044 1.00 2.25 C ATOM 987 NH1 ARG A 65 -7.791 4.664 11.730 1.00 1.87 N ATOM 988 NH2 ARG A 65 -6.768 2.745 12.442 1.00 3.12 N ATOM 0 H ARG A 65 -3.057 7.719 8.814 1.00 0.69 H new ATOM 0 HA ARG A 65 -5.444 8.379 10.262 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -2.547 7.991 11.097 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -3.874 8.212 12.219 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -3.640 5.920 10.235 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -3.213 5.828 11.932 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -5.647 6.645 12.384 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -5.955 6.227 10.710 1.00 1.44 H new ATOM 0 HE ARG A 65 -4.668 4.050 12.157 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -7.736 5.632 11.414 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -8.697 4.202 11.804 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -5.921 2.228 12.678 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -7.679 2.291 12.513 1.00 3.12 H new ATOM 1002 N GLU A 66 -3.089 10.614 9.792 1.00 0.79 N ATOM 1003 CA GLU A 66 -2.731 12.022 9.908 1.00 0.88 C ATOM 1004 C GLU A 66 -3.713 12.917 9.159 1.00 0.89 C ATOM 1005 O GLU A 66 -4.243 13.876 9.716 1.00 1.00 O ATOM 1006 CB GLU A 66 -1.316 12.252 9.362 1.00 0.90 C ATOM 1007 CG GLU A 66 -0.251 11.386 10.016 1.00 1.05 C ATOM 1008 CD GLU A 66 1.119 11.586 9.405 1.00 1.33 C ATOM 1009 OE1 GLU A 66 1.299 11.265 8.214 1.00 1.82 O ATOM 1010 OE2 GLU A 66 2.029 12.068 10.114 1.00 1.38 O ATOM 0 H GLU A 66 -2.448 10.068 9.216 1.00 0.79 H new ATOM 0 HA GLU A 66 -2.769 12.284 10.965 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -1.316 12.061 8.289 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -1.051 13.300 9.499 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -0.206 11.614 11.081 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -0.535 10.338 9.926 1.00 1.05 H new ATOM 1017 N ASN A 67 -3.972 12.588 7.899 1.00 0.82 N ATOM 1018 CA ASN A 67 -4.864 13.402 7.072 1.00 0.87 C ATOM 1019 C ASN A 67 -6.304 12.900 7.104 1.00 0.89 C ATOM 1020 O ASN A 67 -7.194 13.529 6.527 1.00 0.97 O ATOM 1021 CB ASN A 67 -4.363 13.441 5.622 1.00 0.86 C ATOM 1022 CG ASN A 67 -2.940 13.964 5.493 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -2.224 13.621 4.551 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -2.520 14.803 6.425 1.00 1.09 N ATOM 0 H ASN A 67 -3.583 11.771 7.428 1.00 0.82 H new ATOM 0 HA ASN A 67 -4.854 14.408 7.492 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -4.414 12.437 5.200 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.029 14.070 5.031 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -1.576 15.187 6.377 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -3.140 15.066 7.191 1.00 1.09 H new ATOM 1031 N ASN A 68 -6.528 11.776 7.780 1.00 0.88 N ATOM 1032 CA ASN A 68 -7.863 11.178 7.893 1.00 0.94 C ATOM 1033 C ASN A 68 -8.383 10.765 6.518 1.00 0.87 C ATOM 1034 O ASN A 68 -9.548 10.992 6.183 1.00 0.94 O ATOM 1035 CB ASN A 68 -8.845 12.145 8.571 1.00 1.10 C ATOM 1036 CG ASN A 68 -8.561 12.322 10.051 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -9.057 11.567 10.887 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -7.770 13.331 10.385 1.00 2.18 N ATOM 0 H ASN A 68 -5.797 11.254 8.263 1.00 0.88 H new ATOM 0 HA ASN A 68 -7.782 10.287 8.516 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -8.794 13.115 8.076 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -9.862 11.774 8.442 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -7.552 13.505 11.366 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -7.379 13.934 9.661 1.00 2.18 H new ATOM 1045 N LEU A 69 -7.506 10.141 5.738 1.00 0.78 N ATOM 1046 CA LEU A 69 -7.842 9.692 4.391 1.00 0.73 C ATOM 1047 C LEU A 69 -8.439 8.289 4.418 1.00 0.70 C ATOM 1048 O LEU A 69 -8.152 7.501 5.322 1.00 0.70 O ATOM 1049 CB LEU A 69 -6.588 9.675 3.510 1.00 0.66 C ATOM 1050 CG LEU A 69 -5.826 10.999 3.399 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -4.343 10.745 3.164 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -6.398 11.853 2.277 1.00 0.77 C ATOM 0 H LEU A 69 -6.548 9.933 6.019 1.00 0.78 H new ATOM 0 HA LEU A 69 -8.575 10.388 3.983 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -5.906 8.918 3.898 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -6.877 9.360 2.507 1.00 0.66 H new ATOM 0 HG LEU A 69 -5.941 11.538 4.339 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -3.818 11.697 3.088 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -3.936 10.172 3.997 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.212 10.184 2.239 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -5.844 12.789 2.214 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -6.313 11.317 1.332 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -7.448 12.066 2.480 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.261 7.983 3.424 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.871 6.664 3.314 1.00 0.70 C ATOM 1066 C LYS A 70 -8.951 5.755 2.515 1.00 0.62 C ATOM 1067 O LYS A 70 -8.371 6.181 1.514 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.240 6.743 2.634 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.237 7.639 3.347 1.00 0.80 C ATOM 1070 CD LYS A 70 -13.564 7.673 2.608 1.00 1.70 C ATOM 1071 CE LYS A 70 -14.434 8.830 3.070 1.00 1.93 C ATOM 1072 NZ LYS A 70 -15.462 9.180 2.055 1.00 3.05 N ATOM 0 H LYS A 70 -9.522 8.631 2.681 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.016 6.262 4.317 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.107 7.105 1.615 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.657 5.738 2.563 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -12.392 7.279 4.364 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -11.834 8.649 3.424 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -13.382 7.759 1.537 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -14.093 6.733 2.767 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -14.923 8.567 4.008 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -13.808 9.700 3.270 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -16.027 9.984 2.396 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -14.995 9.438 1.163 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -16.085 8.363 1.896 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.820 4.511 2.947 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.941 3.568 2.276 1.00 0.57 C ATOM 1088 C ILE A 71 -8.715 2.561 1.426 1.00 0.56 C ATOM 1089 O ILE A 71 -9.573 1.826 1.923 1.00 0.62 O ATOM 1090 CB ILE A 71 -7.055 2.803 3.291 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -6.138 3.770 4.046 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -6.229 1.732 2.590 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -5.110 4.447 3.169 1.00 0.86 C ATOM 0 H ILE A 71 -9.310 4.132 3.757 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.307 4.160 1.617 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.713 2.315 4.010 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -6.749 4.533 4.529 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -5.624 3.225 4.838 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.615 1.208 3.323 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.895 1.021 2.100 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.585 2.199 1.845 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.499 5.116 3.775 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -4.473 3.693 2.706 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -5.616 5.021 2.393 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.414 2.558 0.137 1.00 0.53 N ATOM 1106 CA ILE A 72 -9.018 1.628 -0.805 1.00 0.54 C ATOM 1107 C ILE A 72 -7.894 0.909 -1.538 1.00 0.50 C ATOM 1108 O ILE A 72 -6.916 1.538 -1.946 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.957 2.327 -1.813 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.563 3.795 -2.006 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.402 2.217 -1.346 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.390 4.514 -3.051 1.00 0.99 C ATOM 0 H ILE A 72 -7.744 3.200 -0.286 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.639 0.923 -0.251 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.860 1.826 -2.776 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.662 4.317 -1.054 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.512 3.846 -2.289 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -12.055 2.713 -2.064 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.680 1.166 -1.268 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.507 2.693 -0.371 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -10.054 5.548 -3.133 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.272 4.017 -4.014 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.440 4.496 -2.760 1.00 0.99 H new ATOM 1124 N ALA A 73 -8.009 -0.397 -1.700 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.944 -1.154 -2.338 1.00 0.43 C ATOM 1126 C ALA A 73 -7.391 -1.838 -3.617 1.00 0.43 C ATOM 1127 O ALA A 73 -8.309 -2.656 -3.617 1.00 0.47 O ATOM 1128 CB ALA A 73 -6.389 -2.180 -1.366 1.00 0.50 C ATOM 0 H ALA A 73 -8.814 -0.949 -1.405 1.00 0.44 H new ATOM 0 HA ALA A 73 -6.167 -0.442 -2.616 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -5.591 -2.745 -1.849 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.993 -1.671 -0.487 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -7.184 -2.862 -1.063 1.00 0.50 H new ATOM 1134 N SER A 74 -6.729 -1.488 -4.707 1.00 0.48 N ATOM 1135 CA SER A 74 -7.012 -2.081 -5.997 1.00 0.53 C ATOM 1136 C SER A 74 -6.049 -3.244 -6.232 1.00 0.46 C ATOM 1137 O SER A 74 -6.393 -4.238 -6.870 1.00 0.55 O ATOM 1138 CB SER A 74 -6.866 -1.026 -7.091 1.00 0.69 C ATOM 1139 OG SER A 74 -7.437 0.204 -6.672 1.00 0.94 O ATOM 0 H SER A 74 -5.986 -0.789 -4.720 1.00 0.48 H new ATOM 0 HA SER A 74 -8.035 -2.458 -6.020 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.812 -0.883 -7.328 1.00 0.69 H new ATOM 0 HB3 SER A 74 -7.354 -1.369 -8.003 1.00 0.69 H new ATOM 0 HG SER A 74 -7.772 0.692 -7.453 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.841 -3.101 -5.691 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.811 -4.126 -5.794 1.00 0.48 C ATOM 1147 C CYS A 75 -4.163 -5.308 -4.892 1.00 0.45 C ATOM 1148 O CYS A 75 -4.407 -5.129 -3.695 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.455 -3.530 -5.399 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.133 -4.737 -5.147 1.00 1.31 S ATOM 0 H CYS A 75 -4.552 -2.273 -5.171 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.752 -4.483 -6.822 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.144 -2.829 -6.174 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -2.581 -2.955 -4.481 1.00 0.59 H new ATOM 0 HG CYS A 75 -1.331 -5.765 -5.918 1.00 1.31 H new ATOM 1156 N SER A 76 -4.185 -6.504 -5.470 1.00 0.57 N ATOM 1157 CA SER A 76 -4.531 -7.723 -4.744 1.00 0.64 C ATOM 1158 C SER A 76 -3.662 -7.932 -3.501 1.00 0.61 C ATOM 1159 O SER A 76 -4.171 -8.284 -2.435 1.00 0.61 O ATOM 1160 CB SER A 76 -4.397 -8.924 -5.681 1.00 0.82 C ATOM 1161 OG SER A 76 -4.178 -8.499 -7.020 1.00 1.12 O ATOM 0 H SER A 76 -3.964 -6.657 -6.454 1.00 0.57 H new ATOM 0 HA SER A 76 -5.560 -7.622 -4.400 1.00 0.64 H new ATOM 0 HB2 SER A 76 -3.570 -9.554 -5.355 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.300 -9.532 -5.631 1.00 0.82 H new ATOM 0 HG SER A 76 -4.093 -9.283 -7.602 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.362 -7.697 -3.635 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.431 -7.877 -2.527 1.00 0.62 C ATOM 1169 C PHE A 77 -1.781 -6.970 -1.347 1.00 0.55 C ATOM 1170 O PHE A 77 -1.981 -7.444 -0.225 1.00 0.58 O ATOM 1171 CB PHE A 77 0.000 -7.604 -2.989 1.00 0.68 C ATOM 1172 CG PHE A 77 1.025 -7.846 -1.920 1.00 0.74 C ATOM 1173 CD1 PHE A 77 1.353 -9.137 -1.537 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.663 -6.785 -1.301 1.00 0.77 C ATOM 1175 CE1 PHE A 77 2.297 -9.365 -0.556 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.607 -7.005 -0.317 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.917 -8.292 0.066 1.00 0.95 C ATOM 0 H PHE A 77 -1.928 -7.381 -4.502 1.00 0.63 H new ATOM 0 HA PHE A 77 -1.511 -8.911 -2.192 1.00 0.62 H new ATOM 0 HB2 PHE A 77 0.224 -8.237 -3.848 1.00 0.68 H new ATOM 0 HB3 PHE A 77 0.074 -6.570 -3.327 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.864 -9.975 -2.012 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.420 -5.773 -1.591 1.00 0.77 H new ATOM 0 HE1 PHE A 77 2.552 -10.376 -0.274 1.00 0.93 H new ATOM 0 HE2 PHE A 77 3.102 -6.168 0.152 1.00 0.87 H new ATOM 0 HZ PHE A 77 3.641 -8.464 0.849 1.00 0.95 H new ATOM 1187 N ALA A 78 -1.869 -5.672 -1.612 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.188 -4.695 -0.578 1.00 0.46 C ATOM 1189 C ALA A 78 -3.569 -4.953 0.011 1.00 0.44 C ATOM 1190 O ALA A 78 -3.765 -4.861 1.222 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.110 -3.285 -1.143 1.00 0.47 C ATOM 0 H ALA A 78 -1.723 -5.270 -2.538 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.454 -4.796 0.222 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.351 -2.566 -0.360 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.102 -3.096 -1.512 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.822 -3.181 -1.962 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.519 -5.290 -0.853 1.00 0.44 N ATOM 1198 CA LYS A 79 -5.887 -5.567 -0.433 1.00 0.47 C ATOM 1199 C LYS A 79 -5.919 -6.736 0.547 1.00 0.52 C ATOM 1200 O LYS A 79 -6.630 -6.704 1.551 1.00 0.55 O ATOM 1201 CB LYS A 79 -6.745 -5.879 -1.661 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.238 -5.696 -1.445 1.00 0.63 C ATOM 1203 CD LYS A 79 -8.912 -7.000 -1.051 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.382 -7.002 -1.431 1.00 1.11 C ATOM 1205 NZ LYS A 79 -11.124 -8.125 -0.794 1.00 1.27 N ATOM 0 H LYS A 79 -4.365 -5.379 -1.857 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.289 -4.689 0.072 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.428 -5.238 -2.483 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.558 -6.908 -1.968 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.405 -4.951 -0.667 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.694 -5.312 -2.358 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -8.408 -7.834 -1.539 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -8.812 -7.152 0.024 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.834 -6.055 -1.135 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -10.476 -7.075 -2.515 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -11.813 -8.513 -1.470 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -10.454 -8.870 -0.516 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -11.624 -7.777 0.049 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.120 -7.753 0.255 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.043 -8.949 1.089 1.00 0.64 C ATOM 1221 C HIS A 80 -4.476 -8.629 2.472 1.00 0.60 C ATOM 1222 O HIS A 80 -4.891 -9.216 3.468 1.00 0.60 O ATOM 1223 CB HIS A 80 -4.182 -10.009 0.398 1.00 0.77 C ATOM 1224 CG HIS A 80 -4.189 -11.350 1.069 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -5.141 -12.311 0.822 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -3.337 -11.894 1.967 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -4.875 -13.387 1.535 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -3.783 -13.160 2.239 1.00 1.13 N ATOM 0 H HIS A 80 -4.509 -7.775 -0.562 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.054 -9.334 1.224 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -4.529 -10.129 -0.628 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -3.155 -9.648 0.347 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -2.465 -11.418 2.392 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -5.453 -14.299 1.542 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -3.343 -13.819 2.881 1.00 1.13 H new ATOM 1237 N MET A 81 -3.537 -7.697 2.528 1.00 0.58 N ATOM 1238 CA MET A 81 -2.914 -7.320 3.790 1.00 0.59 C ATOM 1239 C MET A 81 -3.825 -6.404 4.601 1.00 0.54 C ATOM 1240 O MET A 81 -3.986 -6.583 5.811 1.00 0.58 O ATOM 1241 CB MET A 81 -1.571 -6.632 3.540 1.00 0.64 C ATOM 1242 CG MET A 81 -0.524 -7.544 2.923 1.00 1.25 C ATOM 1243 SD MET A 81 1.094 -6.762 2.774 1.00 1.51 S ATOM 1244 CE MET A 81 1.439 -6.350 4.481 1.00 1.09 C ATOM 0 H MET A 81 -3.189 -7.188 1.716 1.00 0.58 H new ATOM 0 HA MET A 81 -2.745 -8.231 4.363 1.00 0.59 H new ATOM 0 HB2 MET A 81 -1.728 -5.776 2.883 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.190 -6.243 4.484 1.00 0.64 H new ATOM 0 HG2 MET A 81 -0.431 -8.444 3.530 1.00 1.25 H new ATOM 0 HG3 MET A 81 -0.861 -7.859 1.935 1.00 1.25 H new ATOM 0 HE1 MET A 81 2.500 -6.126 4.594 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.851 -5.479 4.771 1.00 1.09 H new ATOM 0 HE3 MET A 81 1.176 -7.194 5.119 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.437 -5.439 3.926 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.332 -4.489 4.578 1.00 0.51 C ATOM 1256 C LEU A 82 -6.589 -5.177 5.100 1.00 0.56 C ATOM 1257 O LEU A 82 -7.198 -4.733 6.076 1.00 0.58 O ATOM 1258 CB LEU A 82 -5.715 -3.372 3.605 1.00 0.53 C ATOM 1259 CG LEU A 82 -4.581 -2.415 3.231 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -4.883 -1.724 1.915 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.360 -1.385 4.328 1.00 0.49 C ATOM 0 H LEU A 82 -4.330 -5.293 2.922 1.00 0.50 H new ATOM 0 HA LEU A 82 -4.802 -4.061 5.429 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.103 -3.824 2.692 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -6.528 -2.793 4.044 1.00 0.53 H new ATOM 0 HG LEU A 82 -3.667 -2.998 3.118 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -4.067 -1.047 1.664 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -4.990 -2.471 1.128 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -5.809 -1.157 2.006 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -3.549 -0.715 4.040 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.273 -0.808 4.474 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.099 -1.893 5.257 1.00 0.49 H new ATOM 1273 N GLU A 83 -6.976 -6.259 4.441 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.157 -7.012 4.830 1.00 0.70 C ATOM 1275 C GLU A 83 -7.824 -8.026 5.920 1.00 0.68 C ATOM 1276 O GLU A 83 -8.714 -8.533 6.604 1.00 0.72 O ATOM 1277 CB GLU A 83 -8.745 -7.721 3.610 1.00 0.85 C ATOM 1278 CG GLU A 83 -10.238 -7.989 3.711 1.00 1.15 C ATOM 1279 CD GLU A 83 -10.874 -8.191 2.355 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -10.838 -9.328 1.840 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -11.425 -7.219 1.799 1.00 1.45 O ATOM 0 H GLU A 83 -6.486 -6.636 3.630 1.00 0.62 H new ATOM 0 HA GLU A 83 -8.894 -6.316 5.231 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -8.554 -7.116 2.724 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -8.225 -8.668 3.467 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -10.406 -8.874 4.325 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -10.722 -7.154 4.217 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.541 -8.319 6.077 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.095 -9.281 7.075 1.00 0.69 C ATOM 1290 C LYS A 84 -5.847 -8.606 8.419 1.00 0.68 C ATOM 1291 O LYS A 84 -6.395 -9.021 9.443 1.00 0.67 O ATOM 1292 CB LYS A 84 -4.823 -9.985 6.599 1.00 0.76 C ATOM 1293 CG LYS A 84 -4.320 -11.055 7.554 1.00 0.99 C ATOM 1294 CD LYS A 84 -3.113 -11.784 6.989 1.00 1.43 C ATOM 1295 CE LYS A 84 -2.579 -12.818 7.968 1.00 1.94 C ATOM 1296 NZ LYS A 84 -3.576 -13.882 8.259 1.00 2.33 N ATOM 0 H LYS A 84 -5.790 -7.904 5.526 1.00 0.67 H new ATOM 0 HA LYS A 84 -6.885 -10.020 7.207 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -5.013 -10.439 5.626 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.039 -9.241 6.456 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -4.056 -10.598 8.508 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -5.118 -11.770 7.753 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -3.387 -12.273 6.054 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -2.329 -11.064 6.754 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -1.676 -13.271 7.559 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -2.295 -12.324 8.897 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -3.115 -14.658 8.776 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -4.345 -13.488 8.838 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -3.966 -14.245 7.366 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.028 -7.562 8.407 1.00 0.84 N ATOM 1311 CA GLU A 85 -4.695 -6.834 9.623 1.00 0.96 C ATOM 1312 C GLU A 85 -5.901 -6.051 10.138 1.00 0.93 C ATOM 1313 O GLU A 85 -6.538 -5.305 9.396 1.00 0.86 O ATOM 1314 CB GLU A 85 -3.512 -5.895 9.366 1.00 1.07 C ATOM 1315 CG GLU A 85 -3.114 -5.052 10.569 1.00 1.07 C ATOM 1316 CD GLU A 85 -2.633 -5.889 11.733 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -1.492 -6.399 11.675 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -3.387 -6.033 12.714 1.00 1.60 O ATOM 0 H GLU A 85 -4.581 -7.200 7.565 1.00 0.84 H new ATOM 0 HA GLU A 85 -4.411 -7.555 10.390 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -2.653 -6.488 9.051 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -3.762 -5.232 8.538 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -2.327 -4.357 10.276 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -3.967 -4.452 10.886 1.00 1.07 H new ATOM 1325 N ASP A 86 -6.199 -6.233 11.419 1.00 1.07 N ATOM 1326 CA ASP A 86 -7.328 -5.565 12.061 1.00 1.10 C ATOM 1327 C ASP A 86 -7.147 -4.052 12.065 1.00 1.02 C ATOM 1328 O ASP A 86 -8.076 -3.304 11.761 1.00 0.99 O ATOM 1329 CB ASP A 86 -7.493 -6.077 13.496 1.00 1.36 C ATOM 1330 CG ASP A 86 -8.305 -5.133 14.361 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -9.530 -5.018 14.135 1.00 2.27 O ATOM 1332 OD2 ASP A 86 -7.727 -4.503 15.269 1.00 2.66 O ATOM 0 H ASP A 86 -5.669 -6.844 12.040 1.00 1.07 H new ATOM 0 HA ASP A 86 -8.227 -5.796 11.489 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -7.977 -7.053 13.476 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -6.509 -6.218 13.943 1.00 1.36 H new ATOM 1337 N SER A 87 -5.944 -3.609 12.395 1.00 1.05 N ATOM 1338 CA SER A 87 -5.635 -2.187 12.440 1.00 1.08 C ATOM 1339 C SER A 87 -5.758 -1.551 11.057 1.00 0.93 C ATOM 1340 O SER A 87 -6.088 -0.374 10.928 1.00 0.97 O ATOM 1341 CB SER A 87 -4.223 -1.996 12.982 1.00 1.27 C ATOM 1342 OG SER A 87 -3.915 -3.010 13.923 1.00 1.46 O ATOM 0 H SER A 87 -5.161 -4.217 12.637 1.00 1.05 H new ATOM 0 HA SER A 87 -6.352 -1.695 13.097 1.00 1.08 H new ATOM 0 HB2 SER A 87 -3.505 -2.021 12.162 1.00 1.27 H new ATOM 0 HB3 SER A 87 -4.136 -1.016 13.452 1.00 1.27 H new ATOM 0 HG SER A 87 -3.005 -2.876 14.262 1.00 1.46 H new ATOM 1348 N TYR A 88 -5.509 -2.345 10.025 1.00 0.91 N ATOM 1349 CA TYR A 88 -5.585 -1.858 8.656 1.00 0.88 C ATOM 1350 C TYR A 88 -7.029 -1.859 8.169 1.00 0.89 C ATOM 1351 O TYR A 88 -7.415 -1.038 7.339 1.00 0.80 O ATOM 1352 CB TYR A 88 -4.718 -2.716 7.729 1.00 0.93 C ATOM 1353 CG TYR A 88 -3.223 -2.536 7.917 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -2.730 -1.716 8.925 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -2.307 -3.180 7.093 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -1.372 -1.544 9.106 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -0.947 -3.012 7.267 1.00 0.97 C ATOM 1358 CZ TYR A 88 -0.478 -2.224 8.250 1.00 0.93 C ATOM 1359 OH TYR A 88 0.871 -2.018 8.452 1.00 1.00 O ATOM 0 H TYR A 88 -5.253 -3.329 10.110 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.209 -0.835 8.637 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -4.967 -3.765 7.888 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -4.972 -2.481 6.695 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -3.421 -1.204 9.578 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -2.665 -3.823 6.303 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.000 -0.900 9.889 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -0.256 -3.517 6.609 1.00 0.97 H new ATOM 0 HH TYR A 88 1.383 -2.542 7.801 1.00 1.00 H new ATOM 1369 N GLN A 89 -7.829 -2.770 8.713 1.00 1.08 N ATOM 1370 CA GLN A 89 -9.236 -2.890 8.341 1.00 1.18 C ATOM 1371 C GLN A 89 -10.040 -1.685 8.835 1.00 1.16 C ATOM 1372 O GLN A 89 -11.172 -1.456 8.407 1.00 1.26 O ATOM 1373 CB GLN A 89 -9.818 -4.190 8.912 1.00 1.43 C ATOM 1374 CG GLN A 89 -11.248 -4.472 8.475 1.00 1.61 C ATOM 1375 CD GLN A 89 -11.344 -5.187 7.138 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -10.321 -5.056 6.308 1.00 2.42 O flip ATOM 1377 NE2 GLN A 89 -12.330 -5.867 6.859 1.00 2.33 N flip ATOM 0 H GLN A 89 -7.525 -3.441 9.418 1.00 1.08 H new ATOM 0 HA GLN A 89 -9.303 -2.916 7.253 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -9.185 -5.024 8.608 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -9.784 -4.144 10.000 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -11.740 -5.076 9.237 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -11.793 -3.530 8.414 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -13.100 -5.945 7.523 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -12.378 -6.353 5.963 1.00 2.33 H new ATOM 1386 N ASP A 90 -9.445 -0.914 9.732 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.105 0.264 10.278 1.00 1.17 C ATOM 1388 C ASP A 90 -10.045 1.426 9.291 1.00 1.09 C ATOM 1389 O ASP A 90 -10.982 2.217 9.195 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.471 0.663 11.611 1.00 1.18 C ATOM 1391 CG ASP A 90 -10.239 1.765 12.316 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -11.380 1.516 12.759 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -9.696 2.882 12.447 1.00 2.03 O ATOM 0 H ASP A 90 -8.508 -1.082 10.098 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.152 0.017 10.451 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -9.419 -0.211 12.260 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -8.447 0.993 11.438 1.00 1.18 H new ATOM 1398 N VAL A 91 -8.946 1.520 8.551 1.00 0.83 N ATOM 1399 CA VAL A 91 -8.775 2.584 7.566 1.00 0.79 C ATOM 1400 C VAL A 91 -9.225 2.120 6.184 1.00 0.73 C ATOM 1401 O VAL A 91 -9.787 2.894 5.405 1.00 0.76 O ATOM 1402 CB VAL A 91 -7.309 3.072 7.482 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.087 4.250 8.414 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.334 1.949 7.803 1.00 0.78 C ATOM 0 H VAL A 91 -8.160 0.873 8.614 1.00 0.83 H new ATOM 0 HA VAL A 91 -9.396 3.416 7.897 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.122 3.395 6.458 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.051 4.580 8.342 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -7.749 5.068 8.131 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -7.301 3.948 9.439 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.313 2.324 7.735 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -6.520 1.583 8.813 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.470 1.135 7.091 1.00 0.78 H new ATOM 1414 N TYR A 92 -8.974 0.853 5.889 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.350 0.271 4.610 1.00 0.71 C ATOM 1416 C TYR A 92 -10.826 -0.105 4.616 1.00 0.80 C ATOM 1417 O TYR A 92 -11.314 -0.734 5.557 1.00 0.98 O ATOM 1418 CB TYR A 92 -8.467 -0.951 4.317 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.070 -1.961 3.363 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.279 -1.632 2.032 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.433 -3.232 3.788 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.831 -2.536 1.149 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -9.984 -4.147 2.909 1.00 1.02 C ATOM 1424 CZ TYR A 92 -10.178 -3.838 1.637 1.00 1.02 C ATOM 1425 OH TYR A 92 -10.724 -4.694 0.704 1.00 1.14 O ATOM 0 H TYR A 92 -8.508 0.205 6.524 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.195 1.005 3.819 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.519 -0.605 3.905 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -8.242 -1.452 5.258 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -9.004 -0.649 1.680 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -9.283 -3.510 4.821 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.998 -2.270 0.116 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -10.260 -5.128 3.266 1.00 1.02 H new ATOM 0 HH TYR A 92 -10.941 -5.549 1.132 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.534 0.289 3.565 1.00 0.74 N ATOM 1436 CA LEU A 93 -12.959 0.004 3.448 1.00 0.84 C ATOM 1437 C LEU A 93 -13.197 -1.468 3.114 1.00 1.05 C ATOM 1438 O LEU A 93 -13.573 -1.817 1.995 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.597 0.900 2.380 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.359 2.401 2.563 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -13.988 3.182 1.421 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -13.910 2.873 3.900 1.00 1.42 C ATOM 0 H LEU A 93 -11.143 0.808 2.779 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.426 0.215 4.410 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -13.214 0.604 1.404 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.672 0.717 2.369 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.284 2.581 2.554 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.809 4.247 1.567 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -13.545 2.866 0.477 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -15.061 2.994 1.399 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -13.731 3.942 4.010 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -14.982 2.679 3.941 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.413 2.336 4.708 1.00 1.42 H new ATOM 1454 N GLY A 94 -12.970 -2.332 4.095 1.00 1.78 N ATOM 1455 CA GLY A 94 -13.166 -3.754 3.898 1.00 2.31 C ATOM 1456 C GLY A 94 -14.452 -4.240 4.522 1.00 3.01 C ATOM 1457 O GLY A 94 -14.677 -5.445 4.643 1.00 3.64 O ATOM 0 H GLY A 94 -12.652 -2.071 5.028 1.00 1.78 H new ATOM 0 HA2 GLY A 94 -13.175 -3.974 2.830 1.00 2.31 H new ATOM 0 HA3 GLY A 94 -12.326 -4.299 4.328 1.00 2.31 H new ATOM 1461 N LEU A 95 -15.299 -3.294 4.909 1.00 3.25 N ATOM 1462 CA LEU A 95 -16.579 -3.609 5.533 1.00 3.98 C ATOM 1463 C LEU A 95 -17.569 -4.167 4.513 1.00 3.60 C ATOM 1464 O LEU A 95 -18.585 -4.752 4.878 1.00 3.99 O ATOM 1465 CB LEU A 95 -17.168 -2.368 6.223 1.00 4.97 C ATOM 1466 CG LEU A 95 -16.872 -1.015 5.555 1.00 5.52 C ATOM 1467 CD1 LEU A 95 -17.746 -0.805 4.326 1.00 5.76 C ATOM 1468 CD2 LEU A 95 -17.072 0.121 6.549 1.00 6.50 C ATOM 0 H LEU A 95 -15.121 -2.296 4.801 1.00 3.25 H new ATOM 0 HA LEU A 95 -16.400 -4.376 6.287 1.00 3.98 H new ATOM 0 HB2 LEU A 95 -18.249 -2.491 6.284 1.00 4.97 H new ATOM 0 HB3 LEU A 95 -16.793 -2.334 7.246 1.00 4.97 H new ATOM 0 HG LEU A 95 -15.831 -1.020 5.230 1.00 5.52 H new ATOM 0 HD11 LEU A 95 -17.514 0.160 3.875 1.00 5.76 H new ATOM 0 HD12 LEU A 95 -17.555 -1.598 3.604 1.00 5.76 H new ATOM 0 HD13 LEU A 95 -18.796 -0.826 4.618 1.00 5.76 H new ATOM 0 HD21 LEU A 95 -16.859 1.072 6.062 1.00 6.50 H new ATOM 0 HD22 LEU A 95 -18.103 0.118 6.903 1.00 6.50 H new ATOM 0 HD23 LEU A 95 -16.398 -0.013 7.395 1.00 6.50 H new ATOM 1480 N GLU A 96 -17.259 -3.991 3.240 1.00 3.30 N ATOM 1481 CA GLU A 96 -18.117 -4.471 2.173 1.00 3.30 C ATOM 1482 C GLU A 96 -17.553 -5.748 1.570 1.00 3.83 C ATOM 1483 O GLU A 96 -17.149 -5.779 0.407 1.00 4.33 O ATOM 1484 CB GLU A 96 -18.274 -3.397 1.100 1.00 3.38 C ATOM 1485 CG GLU A 96 -19.440 -2.455 1.354 1.00 3.76 C ATOM 1486 CD GLU A 96 -20.780 -3.130 1.148 1.00 4.68 C ATOM 1487 OE1 GLU A 96 -21.242 -3.198 -0.010 1.00 5.06 O ATOM 1488 OE2 GLU A 96 -21.375 -3.602 2.140 1.00 5.15 O ATOM 0 H GLU A 96 -16.415 -3.517 2.920 1.00 3.30 H new ATOM 0 HA GLU A 96 -19.099 -4.694 2.589 1.00 3.30 H new ATOM 0 HB2 GLU A 96 -17.354 -2.816 1.041 1.00 3.38 H new ATOM 0 HB3 GLU A 96 -18.410 -3.879 0.132 1.00 3.38 H new ATOM 0 HG2 GLU A 96 -19.381 -2.074 2.373 1.00 3.76 H new ATOM 0 HG3 GLU A 96 -19.362 -1.596 0.687 1.00 3.76 H new ATOM 1495 N HIS A 97 -17.541 -6.803 2.364 1.00 4.10 N ATOM 1496 CA HIS A 97 -17.027 -8.094 1.920 1.00 4.81 C ATOM 1497 C HIS A 97 -18.144 -8.923 1.298 1.00 4.91 C ATOM 1498 O HIS A 97 -18.353 -10.083 1.648 1.00 5.78 O ATOM 1499 CB HIS A 97 -16.358 -8.857 3.081 1.00 5.50 C ATOM 1500 CG HIS A 97 -17.191 -8.975 4.326 1.00 5.36 C ATOM 1501 ND1 HIS A 97 -17.453 -8.079 5.309 1.00 5.86 N flip ATOM 1502 CD2 HIS A 97 -17.855 -10.129 4.679 1.00 5.14 C flip ATOM 1503 CE1 HIS A 97 -18.259 -8.704 6.226 1.00 5.88 C flip ATOM 1504 NE2 HIS A 97 -18.488 -9.939 5.822 1.00 5.53 N flip ATOM 0 H HIS A 97 -17.882 -6.795 3.325 1.00 4.10 H new ATOM 0 HA HIS A 97 -16.265 -7.914 1.161 1.00 4.81 H new ATOM 0 HB2 HIS A 97 -16.101 -9.859 2.737 1.00 5.50 H new ATOM 0 HB3 HIS A 97 -15.423 -8.357 3.333 1.00 5.50 H new ATOM 0 HD2 HIS A 97 -17.857 -11.047 4.109 1.00 5.14 H new ATOM 0 HE1 HIS A 97 -18.644 -8.258 7.131 1.00 5.88 H new ATOM 0 HE2 HIS A 97 -19.058 -10.630 6.310 1.00 5.53 H new ATOM 1513 N HIS A 98 -18.849 -8.306 0.360 1.00 4.24 N ATOM 1514 CA HIS A 98 -19.958 -8.950 -0.326 1.00 4.57 C ATOM 1515 C HIS A 98 -19.456 -10.091 -1.202 1.00 5.57 C ATOM 1516 O HIS A 98 -18.607 -9.887 -2.072 1.00 6.29 O ATOM 1517 CB HIS A 98 -20.713 -7.923 -1.173 1.00 4.01 C ATOM 1518 CG HIS A 98 -22.135 -8.299 -1.463 1.00 4.25 C ATOM 1519 ND1 HIS A 98 -22.971 -7.523 -2.231 1.00 4.75 N ATOM 1520 CD2 HIS A 98 -22.871 -9.373 -1.083 1.00 4.43 C ATOM 1521 CE1 HIS A 98 -24.154 -8.095 -2.312 1.00 5.20 C ATOM 1522 NE2 HIS A 98 -24.121 -9.221 -1.626 1.00 5.02 N ATOM 0 H HIS A 98 -18.669 -7.350 0.055 1.00 4.24 H new ATOM 0 HA HIS A 98 -20.637 -9.364 0.419 1.00 4.57 H new ATOM 0 HB2 HIS A 98 -20.700 -6.962 -0.658 1.00 4.01 H new ATOM 0 HB3 HIS A 98 -20.184 -7.786 -2.116 1.00 4.01 H new ATOM 0 HD2 HIS A 98 -22.535 -10.195 -0.468 1.00 4.43 H new ATOM 0 HE1 HIS A 98 -25.007 -7.708 -2.849 1.00 5.20 H new ATOM 0 HE2 HIS A 98 -24.898 -9.872 -1.517 1.00 5.02 H new ATOM 1531 N HIS A 99 -19.989 -11.287 -0.952 1.00 5.88 N ATOM 1532 CA HIS A 99 -19.612 -12.491 -1.692 1.00 7.00 C ATOM 1533 C HIS A 99 -18.111 -12.736 -1.568 1.00 7.19 C ATOM 1534 O HIS A 99 -17.364 -12.658 -2.547 1.00 6.84 O ATOM 1535 CB HIS A 99 -20.028 -12.395 -3.169 1.00 7.91 C ATOM 1536 CG HIS A 99 -19.906 -13.691 -3.921 1.00 8.85 C ATOM 1537 ND1 HIS A 99 -20.844 -14.695 -3.847 1.00 9.53 N ATOM 1538 CD2 HIS A 99 -18.941 -14.145 -4.756 1.00 9.38 C ATOM 1539 CE1 HIS A 99 -20.461 -15.711 -4.597 1.00 10.40 C ATOM 1540 NE2 HIS A 99 -19.308 -15.404 -5.162 1.00 10.32 N ATOM 0 H HIS A 99 -20.693 -11.448 -0.232 1.00 5.88 H new ATOM 0 HA HIS A 99 -20.143 -13.337 -1.256 1.00 7.00 H new ATOM 0 HB2 HIS A 99 -21.061 -12.050 -3.224 1.00 7.91 H new ATOM 0 HB3 HIS A 99 -19.414 -11.641 -3.661 1.00 7.91 H new ATOM 0 HD2 HIS A 99 -18.047 -13.614 -5.049 1.00 9.38 H new ATOM 0 HE1 HIS A 99 -21.000 -16.638 -4.727 1.00 10.40 H new ATOM 0 HE2 HIS A 99 -18.778 -16.003 -5.795 1.00 10.32 H new ATOM 1549 N HIS A 100 -17.675 -13.020 -0.355 1.00 7.91 N ATOM 1550 CA HIS A 100 -16.272 -13.275 -0.091 1.00 8.32 C ATOM 1551 C HIS A 100 -15.978 -14.763 -0.215 1.00 8.49 C ATOM 1552 O HIS A 100 -15.871 -15.473 0.783 1.00 8.85 O ATOM 1553 CB HIS A 100 -15.898 -12.775 1.304 1.00 8.84 C ATOM 1554 CG HIS A 100 -14.473 -12.329 1.418 1.00 9.39 C ATOM 1555 ND1 HIS A 100 -13.428 -13.192 1.663 1.00 9.84 N ATOM 1556 CD2 HIS A 100 -13.922 -11.098 1.314 1.00 9.72 C ATOM 1557 CE1 HIS A 100 -12.299 -12.512 1.708 1.00 10.37 C ATOM 1558 NE2 HIS A 100 -12.571 -11.241 1.499 1.00 10.32 N ATOM 0 H HIS A 100 -18.276 -13.080 0.467 1.00 7.91 H new ATOM 0 HA HIS A 100 -15.673 -12.738 -0.826 1.00 8.32 H new ATOM 0 HB2 HIS A 100 -16.552 -11.945 1.571 1.00 8.84 H new ATOM 0 HB3 HIS A 100 -16.080 -13.570 2.027 1.00 8.84 H new ATOM 0 HD2 HIS A 100 -14.448 -10.175 1.121 1.00 9.72 H new ATOM 0 HE1 HIS A 100 -11.318 -12.927 1.886 1.00 10.37 H new ATOM 0 HE2 HIS A 100 -11.887 -10.485 1.478 1.00 10.32 H new ATOM 1567 N HIS A 101 -15.874 -15.236 -1.447 1.00 8.41 N ATOM 1568 CA HIS A 101 -15.598 -16.641 -1.700 1.00 8.73 C ATOM 1569 C HIS A 101 -14.449 -16.783 -2.686 1.00 9.24 C ATOM 1570 O HIS A 101 -14.661 -16.831 -3.899 1.00 9.03 O ATOM 1571 CB HIS A 101 -16.851 -17.339 -2.238 1.00 8.88 C ATOM 1572 CG HIS A 101 -16.921 -18.798 -1.907 1.00 9.00 C ATOM 1573 ND1 HIS A 101 -17.578 -19.286 -0.801 1.00 8.78 N ATOM 1574 CD2 HIS A 101 -16.412 -19.875 -2.545 1.00 9.44 C ATOM 1575 CE1 HIS A 101 -17.468 -20.599 -0.771 1.00 9.10 C ATOM 1576 NE2 HIS A 101 -16.765 -20.984 -1.819 1.00 9.49 N ATOM 0 H HIS A 101 -15.977 -14.667 -2.287 1.00 8.41 H new ATOM 0 HA HIS A 101 -15.311 -17.115 -0.761 1.00 8.73 H new ATOM 0 HB2 HIS A 101 -17.733 -16.842 -1.835 1.00 8.88 H new ATOM 0 HB3 HIS A 101 -16.885 -17.220 -3.321 1.00 8.88 H new ATOM 0 HD2 HIS A 101 -15.834 -19.865 -3.457 1.00 9.44 H new ATOM 0 HE1 HIS A 101 -17.883 -21.250 -0.016 1.00 9.10 H new ATOM 0 HE2 HIS A 101 -16.524 -21.948 -2.051 1.00 9.49 H new ATOM 1585 N HIS A 102 -13.236 -16.826 -2.156 1.00 10.03 N ATOM 1586 CA HIS A 102 -12.040 -16.956 -2.970 1.00 10.75 C ATOM 1587 C HIS A 102 -10.970 -17.708 -2.188 1.00 11.48 C ATOM 1588 O HIS A 102 -10.967 -18.952 -2.241 1.00 11.72 O ATOM 1589 CB HIS A 102 -11.536 -15.569 -3.392 1.00 11.25 C ATOM 1590 CG HIS A 102 -10.293 -15.592 -4.237 1.00 11.59 C ATOM 1591 ND1 HIS A 102 -9.185 -14.825 -3.959 1.00 12.36 N ATOM 1592 CD2 HIS A 102 -9.993 -16.289 -5.360 1.00 11.44 C ATOM 1593 CE1 HIS A 102 -8.259 -15.046 -4.872 1.00 12.66 C ATOM 1594 NE2 HIS A 102 -8.722 -15.931 -5.735 1.00 12.14 N ATOM 1595 OXT HIS A 102 -10.153 -17.057 -1.506 1.00 11.93 O ATOM 0 H HIS A 102 -13.055 -16.772 -1.154 1.00 10.03 H new ATOM 0 HA HIS A 102 -12.274 -17.521 -3.872 1.00 10.75 H new ATOM 0 HB2 HIS A 102 -12.327 -15.061 -3.944 1.00 11.25 H new ATOM 0 HB3 HIS A 102 -11.342 -14.978 -2.497 1.00 11.25 H new ATOM 0 HD2 HIS A 102 -10.635 -16.995 -5.866 1.00 11.44 H new ATOM 0 HE1 HIS A 102 -7.285 -14.581 -4.907 1.00 12.66 H new ATOM 0 HE2 HIS A 102 -8.219 -16.290 -6.546 1.00 12.14 H new TER 1604 HIS A 102 HETATM 1605 N1A ACO A 103 -2.291 -13.045 -2.108 1.00 1.26 N HETATM 1606 C2A ACO A 103 -2.088 -11.744 -1.658 1.00 1.17 C HETATM 1607 N3A ACO A 103 -1.303 -11.540 -0.524 1.00 1.07 N HETATM 1608 C4A ACO A 103 -0.755 -12.600 0.100 1.00 1.07 C HETATM 1609 C5A ACO A 103 -0.965 -13.843 -0.353 1.00 1.24 C HETATM 1610 C6A ACO A 103 -1.714 -14.056 -1.442 1.00 1.33 C HETATM 1611 N6A ACO A 103 -1.863 -15.320 -1.831 1.00 1.58 N HETATM 1612 N7A ACO A 103 -0.310 -14.683 0.448 1.00 1.38 N HETATM 1613 C8A ACO A 103 0.295 -13.967 1.395 1.00 1.26 C HETATM 1614 N9A ACO A 103 0.021 -12.685 1.175 1.00 1.07 N HETATM 1615 C1B ACO A 103 0.503 -11.536 1.981 1.00 1.03 C HETATM 1616 C2B ACO A 103 0.515 -11.818 3.469 1.00 1.11 C HETATM 1617 O2B ACO A 103 -0.743 -11.443 4.054 1.00 1.48 O HETATM 1618 C3B ACO A 103 1.634 -10.933 3.993 1.00 1.01 C HETATM 1619 O3B ACO A 103 1.093 -9.803 4.700 1.00 1.23 O HETATM 1620 P3B ACO A 103 0.291 -10.002 6.086 1.00 1.16 P HETATM 1621 O7A ACO A 103 -1.117 -9.246 5.881 1.00 1.71 O HETATM 1622 O8A ACO A 103 1.086 -9.195 7.222 1.00 1.81 O HETATM 1623 O9A ACO A 103 0.114 -11.428 6.440 1.00 2.04 O HETATM 1624 C4B ACO A 103 2.366 -10.452 2.744 1.00 1.04 C HETATM 1625 O4B ACO A 103 1.874 -11.258 1.656 1.00 1.04 O HETATM 1626 C5B ACO A 103 3.870 -10.638 2.895 1.00 1.18 C HETATM 1627 O5B ACO A 103 4.227 -11.995 2.597 1.00 1.28 O HETATM 1628 P1A ACO A 103 4.409 -12.497 1.069 1.00 1.52 P HETATM 1629 O1A ACO A 103 5.554 -13.425 0.987 1.00 2.30 O HETATM 1630 O2A ACO A 103 3.107 -12.979 0.541 1.00 2.20 O HETATM 1631 O3A ACO A 103 4.773 -11.157 0.263 1.00 1.44 O HETATM 1632 P2A ACO A 103 5.728 -11.231 -1.032 1.00 1.59 P HETATM 1633 O4A ACO A 103 5.682 -12.594 -1.619 1.00 2.35 O HETATM 1634 O5A ACO A 103 7.059 -10.683 -0.698 1.00 2.24 O HETATM 1635 O6A ACO A 103 5.013 -10.239 -2.083 1.00 1.29 O HETATM 1636 CBP ACO A 103 3.989 -9.769 -4.256 1.00 0.94 C HETATM 1637 CCP ACO A 103 4.140 -10.767 -3.093 1.00 1.05 C HETATM 1638 CDP ACO A 103 2.705 -10.086 -5.032 1.00 1.01 C HETATM 1639 CEP ACO A 103 3.911 -8.334 -3.713 1.00 0.88 C HETATM 1640 CAP ACO A 103 5.200 -9.899 -5.189 1.00 0.97 C HETATM 1641 OAP ACO A 103 5.236 -11.211 -5.758 1.00 1.11 O HETATM 1642 C9P ACO A 103 5.119 -8.859 -6.313 1.00 0.94 C HETATM 1643 O9P ACO A 103 5.958 -7.963 -6.401 1.00 0.99 O HETATM 1644 N8P ACO A 103 4.093 -9.008 -7.163 1.00 1.53 N HETATM 1645 C7P ACO A 103 3.211 -7.888 -7.525 1.00 1.93 C HETATM 1646 C6P ACO A 103 1.781 -8.399 -7.736 1.00 2.42 C HETATM 1647 C5P ACO A 103 0.788 -7.470 -7.028 1.00 2.41 C HETATM 1648 O5P ACO A 103 -0.127 -7.930 -6.340 1.00 3.30 O HETATM 1649 N4P ACO A 103 1.005 -6.156 -7.208 1.00 1.79 N HETATM 1650 C3P ACO A 103 0.345 -5.390 -8.279 1.00 2.18 C HETATM 1651 C2P ACO A 103 0.901 -5.805 -9.646 1.00 2.07 C HETATM 1652 S1P ACO A 103 1.779 -4.431 -10.478 1.00 2.13 S HETATM 1653 C ACO A 103 3.220 -4.311 -9.441 1.00 1.95 C HETATM 1654 O ACO A 103 3.081 -4.362 -8.017 1.00 1.49 O HETATM 1655 CH3 ACO A 103 4.606 -4.149 -10.072 1.00 3.07 C HETATM 0 HO2A ACO A 103 -1.084 -12.183 4.598 1.00 1.48 H new HETATM 0 HH33 ACO A 103 4.815 -5.004 -10.715 1.00 3.07 H new HETATM 0 HH32 ACO A 103 4.631 -3.234 -10.664 1.00 3.07 H new HETATM 0 HH31 ACO A 103 5.359 -4.093 -9.286 1.00 3.07 H new HETATM 0 H62A ACO A 103 -1.414 -16.071 -1.307 1.00 1.58 H new HETATM 0 H61A ACO A 103 -2.426 -15.538 -2.653 1.00 1.58 H new HETATM 0 H52A ACO A 103 4.398 -9.959 2.226 1.00 1.18 H new HETATM 0 H51A ACO A 103 4.176 -10.387 3.911 1.00 1.18 H new HETATM 0 H143 ACO A 103 3.051 -8.242 -3.049 1.00 0.88 H new HETATM 0 H142 ACO A 103 4.822 -8.104 -3.161 1.00 0.88 H new HETATM 0 H141 ACO A 103 3.804 -7.636 -4.543 1.00 0.88 H new HETATM 0 H133 ACO A 103 2.760 -11.101 -5.427 1.00 1.01 H new HETATM 0 H132 ACO A 103 1.847 -10.002 -4.365 1.00 1.01 H new HETATM 0 H131 ACO A 103 2.595 -9.381 -5.856 1.00 1.01 H new HETATM 0 H122 ACO A 103 4.536 -11.711 -3.466 1.00 1.05 H new HETATM 0 H121 ACO A 103 3.162 -10.980 -2.661 1.00 1.05 H new HETATM 0 HO1 ACO A 103 6.010 -11.288 -6.354 1.00 1.11 H new HETATM 0 HN8 ACO A 103 3.919 -9.926 -7.571 1.00 1.53 H new HETATM 0 HN4 ACO A 103 1.649 -5.673 -6.582 1.00 1.79 H new HETATM 0 H8A ACO A 103 0.906 -14.362 2.206 1.00 1.26 H new HETATM 0 H72 ACO A 103 3.225 -7.134 -6.738 1.00 1.93 H new HETATM 0 H71 ACO A 103 3.573 -7.407 -8.434 1.00 1.93 H new HETATM 0 H62 ACO A 103 1.555 -8.444 -8.801 1.00 2.42 H new HETATM 0 H61 ACO A 103 1.686 -9.413 -7.347 1.00 2.42 H new HETATM 0 H4B ACO A 103 2.189 -9.391 2.571 1.00 1.04 H new HETATM 0 H3B ACO A 103 2.285 -11.467 4.685 1.00 1.01 H new HETATM 0 H32 ACO A 103 -0.731 -5.561 -8.249 1.00 2.18 H new HETATM 0 H31 ACO A 103 0.502 -4.323 -8.123 1.00 2.18 H new HETATM 0 H2B ACO A 103 0.665 -12.871 3.705 1.00 1.11 H new HETATM 0 H2A ACO A 103 -2.535 -10.899 -2.183 1.00 1.17 H new HETATM 0 H22 ACO A 103 1.582 -6.646 -9.520 1.00 2.07 H new HETATM 0 H21 ACO A 103 0.084 -6.149 -10.280 1.00 2.07 H new HETATM 0 H1B ACO A 103 -0.179 -10.716 1.753 1.00 1.03 H new HETATM 0 H10 ACO A 103 6.107 -9.728 -4.609 1.00 0.97 H new