USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 67 SER OG : rot 135:sc= 0.51 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 140:sc= 0.57 (180deg=0) USER MOD Set 2.1: A 46 CYS SG : rot -171:sc= -11.6! USER MOD Set 2.2: A 49 CYS SG : rot 129:sc= -5.02! USER MOD Set 3.1: A 37 SER OG : rot 76:sc= 1.12 USER MOD Set 3.2: A 55 GLN : amide:sc= 0.338 X(o=1.5,f=1.4) USER MOD Set 4.1: A 29 ASN : amide:sc= 0 X(o=-0.14,f=-0.27) USER MOD Set 4.2: A 32 MET CE :methyl 157:sc= -0.141 (180deg=-0.67) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.07 (180deg=0.664) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.00079) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00655 X(o=-0.0065,f=-0.011) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0129 K(o=-0.013,f=-2.5!) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= -0.0035 (180deg=-0.0601) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 41:sc= -0.691 USER MOD Single : A 21 CYS SG : rot 30:sc= 0.0751 USER MOD Single : A 23 MET CE :methyl 166:sc= -1.1 (180deg=-1.56!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc=-0.00888 (180deg=-0.118) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 39 THR OG1 : rot 45:sc= -0.155 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.339 X(o=0.34,f=0) USER MOD Single : A 52 SER OG : rot 24:sc= 0.0493 USER MOD Single : A 54 THR OG1 : rot -150:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= -0.0121 (180deg=-0.239) USER MOD Single : A 58 ASN : amide:sc= -0.0448 K(o=-0.045,f=-1.8!) USER MOD Single : A 64 LYS NZ :NH3+ 149:sc= 0.254 (180deg=-0.775) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -65.378 -8.308 -99.834 1.00 20.42 N ATOM 2 CA MET A 1 -66.193 -7.707 -98.756 1.00 72.11 C ATOM 3 C MET A 1 -65.265 -7.030 -97.739 1.00 3.31 C ATOM 4 O MET A 1 -64.865 -7.649 -96.748 1.00 2.44 O ATOM 5 CB MET A 1 -67.105 -8.775 -98.080 1.00 22.44 C ATOM 6 CG MET A 1 -68.172 -9.364 -99.015 1.00 63.53 C ATOM 7 SD MET A 1 -67.467 -10.247-100.429 1.00 12.34 S ATOM 8 CE MET A 1 -68.936 -10.629-101.386 1.00 3.32 C ATOM 0 H1 MET A 1 -65.961 -8.974-100.380 1.00 20.42 H new ATOM 0 H2 MET A 1 -65.028 -7.558-100.464 1.00 20.42 H new ATOM 0 H3 MET A 1 -64.571 -8.815 -99.418 1.00 20.42 H new ATOM 0 HA MET A 1 -66.855 -6.953 -99.182 1.00 72.11 H new ATOM 0 HB2 MET A 1 -66.481 -9.584 -97.702 1.00 22.44 H new ATOM 0 HB3 MET A 1 -67.599 -8.324 -97.219 1.00 22.44 H new ATOM 0 HG2 MET A 1 -68.807 -10.045 -98.449 1.00 63.53 H new ATOM 0 HG3 MET A 1 -68.812 -8.560 -99.379 1.00 63.53 H new ATOM 0 HE1 MET A 1 -68.652 -11.173-102.287 1.00 3.32 H new ATOM 0 HE2 MET A 1 -69.610 -11.243-100.789 1.00 3.32 H new ATOM 0 HE3 MET A 1 -69.439 -9.703-101.665 1.00 3.32 H new ATOM 20 N GLY A 2 -64.879 -5.772 -98.031 1.00 11.14 N ATOM 21 CA GLY A 2 -64.019 -4.985 -97.140 1.00 4.10 C ATOM 22 C GLY A 2 -62.526 -5.285 -97.317 1.00 21.03 C ATOM 23 O GLY A 2 -62.153 -6.373 -97.775 1.00 42.44 O ATOM 0 H GLY A 2 -65.154 -5.282 -98.882 1.00 11.14 H new ATOM 0 HA2 GLY A 2 -64.193 -3.924 -97.322 1.00 4.10 H new ATOM 0 HA3 GLY A 2 -64.302 -5.182 -96.106 1.00 4.10 H new ATOM 27 N HIS A 3 -61.683 -4.307 -96.948 1.00 10.33 N ATOM 28 CA HIS A 3 -60.211 -4.408 -97.009 1.00 65.14 C ATOM 29 C HIS A 3 -59.579 -3.353 -96.080 1.00 40.24 C ATOM 30 O HIS A 3 -60.217 -2.332 -95.786 1.00 12.43 O ATOM 31 CB HIS A 3 -59.696 -4.240 -98.469 1.00 32.30 C ATOM 32 CG HIS A 3 -60.044 -2.919 -99.137 1.00 54.42 C ATOM 33 ND1 HIS A 3 -61.117 -2.768 -99.984 1.00 32.13 N ATOM 34 CD2 HIS A 3 -59.435 -1.705 -99.096 1.00 42.32 C ATOM 35 CE1 HIS A 3 -61.147 -1.533-100.438 1.00 1.12 C ATOM 36 NE2 HIS A 3 -60.141 -0.867 -99.913 1.00 51.33 N ATOM 0 H HIS A 3 -62.008 -3.408 -96.593 1.00 10.33 H new ATOM 0 HA HIS A 3 -59.916 -5.401 -96.670 1.00 65.14 H new ATOM 0 HB2 HIS A 3 -58.612 -4.353 -98.469 1.00 32.30 H new ATOM 0 HB3 HIS A 3 -60.101 -5.051 -99.074 1.00 32.30 H new ATOM 0 HD2 HIS A 3 -58.556 -1.449 -98.524 1.00 42.32 H new ATOM 0 HE1 HIS A 3 -61.876 -1.133-101.127 1.00 1.12 H new ATOM 0 HE2 HIS A 3 -59.924 0.114-100.087 1.00 51.33 H new ATOM 45 N HIS A 4 -58.329 -3.620 -95.644 1.00 73.53 N ATOM 46 CA HIS A 4 -57.525 -2.726 -94.782 1.00 31.12 C ATOM 47 C HIS A 4 -58.223 -2.470 -93.423 1.00 51.34 C ATOM 48 O HIS A 4 -59.006 -1.524 -93.287 1.00 5.24 O ATOM 49 CB HIS A 4 -57.188 -1.396 -95.519 1.00 22.43 C ATOM 50 CG HIS A 4 -56.284 -0.466 -94.745 1.00 60.15 C ATOM 51 ND1 HIS A 4 -56.761 0.493 -93.885 1.00 0.22 N ATOM 52 CD2 HIS A 4 -54.933 -0.360 -94.712 1.00 14.22 C ATOM 53 CE1 HIS A 4 -55.751 1.149 -93.364 1.00 54.43 C ATOM 54 NE2 HIS A 4 -54.630 0.652 -93.847 1.00 15.45 N ATOM 0 H HIS A 4 -57.840 -4.482 -95.887 1.00 73.53 H new ATOM 0 HA HIS A 4 -56.582 -3.229 -94.566 1.00 31.12 H new ATOM 0 HB2 HIS A 4 -56.715 -1.633 -96.472 1.00 22.43 H new ATOM 0 HB3 HIS A 4 -58.118 -0.874 -95.745 1.00 22.43 H new ATOM 0 HD2 HIS A 4 -54.229 -0.963 -95.266 1.00 14.22 H new ATOM 0 HE1 HIS A 4 -55.826 1.962 -92.657 1.00 54.43 H new ATOM 0 HE2 HIS A 4 -53.690 0.971 -93.613 1.00 15.45 H new ATOM 63 N HIS A 5 -57.961 -3.347 -92.430 1.00 23.43 N ATOM 64 CA HIS A 5 -58.546 -3.225 -91.083 1.00 0.14 C ATOM 65 C HIS A 5 -57.522 -3.690 -90.032 1.00 21.33 C ATOM 66 O HIS A 5 -57.346 -4.897 -89.812 1.00 64.05 O ATOM 67 CB HIS A 5 -59.869 -4.040 -90.993 1.00 30.21 C ATOM 68 CG HIS A 5 -60.686 -3.806 -89.739 1.00 43.34 C ATOM 69 ND1 HIS A 5 -61.788 -2.976 -89.701 1.00 43.52 N ATOM 70 CD2 HIS A 5 -60.565 -4.307 -88.485 1.00 24.23 C ATOM 71 CE1 HIS A 5 -62.302 -2.984 -88.486 1.00 74.41 C ATOM 72 NE2 HIS A 5 -61.577 -3.779 -87.731 1.00 32.03 N ATOM 0 H HIS A 5 -57.344 -4.151 -92.540 1.00 23.43 H new ATOM 0 HA HIS A 5 -58.790 -2.181 -90.884 1.00 0.14 H new ATOM 0 HB2 HIS A 5 -60.485 -3.799 -91.859 1.00 30.21 H new ATOM 0 HB3 HIS A 5 -59.629 -5.101 -91.058 1.00 30.21 H new ATOM 0 HD2 HIS A 5 -59.808 -4.997 -88.144 1.00 24.23 H new ATOM 0 HE1 HIS A 5 -63.172 -2.430 -88.166 1.00 74.41 H new ATOM 0 HE2 HIS A 5 -61.742 -3.971 -86.743 1.00 32.03 H new ATOM 81 N HIS A 6 -56.837 -2.721 -89.405 1.00 4.42 N ATOM 82 CA HIS A 6 -55.833 -2.980 -88.359 1.00 11.44 C ATOM 83 C HIS A 6 -56.019 -1.948 -87.229 1.00 41.21 C ATOM 84 O HIS A 6 -55.957 -0.736 -87.475 1.00 32.12 O ATOM 85 CB HIS A 6 -54.402 -2.900 -88.964 1.00 32.24 C ATOM 86 CG HIS A 6 -53.283 -3.437 -88.083 1.00 14.31 C ATOM 87 ND1 HIS A 6 -52.605 -4.606 -88.365 1.00 13.54 N ATOM 88 CD2 HIS A 6 -52.712 -2.950 -86.949 1.00 24.41 C ATOM 89 CE1 HIS A 6 -51.674 -4.805 -87.455 1.00 54.31 C ATOM 90 NE2 HIS A 6 -51.718 -3.819 -86.584 1.00 20.33 N ATOM 0 H HIS A 6 -56.964 -1.730 -89.610 1.00 4.42 H new ATOM 0 HA HIS A 6 -55.964 -3.982 -87.950 1.00 11.44 H new ATOM 0 HB2 HIS A 6 -54.394 -3.449 -89.905 1.00 32.24 H new ATOM 0 HB3 HIS A 6 -54.185 -1.858 -89.201 1.00 32.24 H new ATOM 0 HD2 HIS A 6 -52.991 -2.044 -86.431 1.00 24.41 H new ATOM 0 HE1 HIS A 6 -50.988 -5.639 -87.428 1.00 54.31 H new ATOM 0 HE2 HIS A 6 -51.111 -3.718 -85.770 1.00 20.33 H new ATOM 99 N HIS A 7 -56.247 -2.436 -86.000 1.00 52.31 N ATOM 100 CA HIS A 7 -56.487 -1.586 -84.824 1.00 41.14 C ATOM 101 C HIS A 7 -55.855 -2.229 -83.581 1.00 54.31 C ATOM 102 O HIS A 7 -56.315 -3.271 -83.107 1.00 1.44 O ATOM 103 CB HIS A 7 -58.011 -1.371 -84.621 1.00 15.30 C ATOM 104 CG HIS A 7 -58.375 -0.533 -83.415 1.00 72.34 C ATOM 105 ND1 HIS A 7 -58.203 0.833 -83.379 1.00 15.33 N ATOM 106 CD2 HIS A 7 -58.871 -0.874 -82.198 1.00 60.22 C ATOM 107 CE1 HIS A 7 -58.573 1.291 -82.201 1.00 75.22 C ATOM 108 NE2 HIS A 7 -58.980 0.277 -81.468 1.00 54.21 N ATOM 0 H HIS A 7 -56.270 -3.435 -85.793 1.00 52.31 H new ATOM 0 HA HIS A 7 -56.025 -0.612 -84.984 1.00 41.14 H new ATOM 0 HB2 HIS A 7 -58.419 -0.896 -85.513 1.00 15.30 H new ATOM 0 HB3 HIS A 7 -58.493 -2.344 -84.529 1.00 15.30 H new ATOM 0 HD2 HIS A 7 -59.131 -1.869 -81.868 1.00 60.22 H new ATOM 0 HE1 HIS A 7 -58.547 2.325 -81.889 1.00 75.22 H new ATOM 0 HE2 HIS A 7 -59.322 0.340 -80.509 1.00 54.21 H new ATOM 117 N HIS A 8 -54.766 -1.607 -83.107 1.00 54.40 N ATOM 118 CA HIS A 8 -54.118 -1.917 -81.818 1.00 63.32 C ATOM 119 C HIS A 8 -53.425 -0.639 -81.307 1.00 61.34 C ATOM 120 O HIS A 8 -52.623 -0.028 -82.034 1.00 34.13 O ATOM 121 CB HIS A 8 -53.076 -3.075 -81.939 1.00 53.01 C ATOM 122 CG HIS A 8 -53.648 -4.472 -81.849 1.00 3.34 C ATOM 123 ND1 HIS A 8 -53.412 -5.457 -82.783 1.00 33.52 N ATOM 124 CD2 HIS A 8 -54.424 -5.049 -80.897 1.00 42.33 C ATOM 125 CE1 HIS A 8 -54.008 -6.569 -82.405 1.00 24.04 C ATOM 126 NE2 HIS A 8 -54.627 -6.349 -81.267 1.00 21.04 N ATOM 0 H HIS A 8 -54.299 -0.858 -83.618 1.00 54.40 H new ATOM 0 HA HIS A 8 -54.883 -2.254 -81.119 1.00 63.32 H new ATOM 0 HB2 HIS A 8 -52.555 -2.974 -82.891 1.00 53.01 H new ATOM 0 HB3 HIS A 8 -52.330 -2.954 -81.153 1.00 53.01 H new ATOM 0 HD2 HIS A 8 -54.810 -4.569 -80.010 1.00 42.33 H new ATOM 0 HE1 HIS A 8 -53.991 -7.506 -82.941 1.00 24.04 H new ATOM 0 HE2 HIS A 8 -55.170 -7.036 -80.745 1.00 21.04 H new ATOM 135 N SER A 9 -53.735 -0.244 -80.059 1.00 4.24 N ATOM 136 CA SER A 9 -53.173 0.965 -79.431 1.00 3.22 C ATOM 137 C SER A 9 -52.924 0.704 -77.936 1.00 50.24 C ATOM 138 O SER A 9 -53.859 0.706 -77.127 1.00 32.15 O ATOM 139 CB SER A 9 -54.127 2.166 -79.642 1.00 63.44 C ATOM 140 OG SER A 9 -53.609 3.356 -79.066 1.00 72.12 O ATOM 0 H SER A 9 -54.382 -0.754 -79.458 1.00 4.24 H new ATOM 0 HA SER A 9 -52.219 1.210 -79.899 1.00 3.22 H new ATOM 0 HB2 SER A 9 -54.289 2.319 -80.709 1.00 63.44 H new ATOM 0 HB3 SER A 9 -55.098 1.941 -79.201 1.00 63.44 H new ATOM 0 HG SER A 9 -54.236 4.093 -79.219 1.00 72.12 H new ATOM 146 N HIS A 10 -51.655 0.430 -77.589 1.00 63.44 N ATOM 147 CA HIS A 10 -51.227 0.227 -76.196 1.00 14.02 C ATOM 148 C HIS A 10 -49.797 0.770 -76.041 1.00 32.24 C ATOM 149 O HIS A 10 -48.937 0.514 -76.891 1.00 42.43 O ATOM 150 CB HIS A 10 -51.288 -1.274 -75.812 1.00 52.32 C ATOM 151 CG HIS A 10 -51.080 -1.564 -74.337 1.00 75.21 C ATOM 152 ND1 HIS A 10 -52.123 -1.646 -73.439 1.00 34.03 N ATOM 153 CD2 HIS A 10 -49.958 -1.786 -73.614 1.00 51.11 C ATOM 154 CE1 HIS A 10 -51.647 -1.905 -72.238 1.00 14.02 C ATOM 155 NE2 HIS A 10 -50.338 -1.993 -72.320 1.00 4.54 N ATOM 0 H HIS A 10 -50.898 0.343 -78.267 1.00 63.44 H new ATOM 0 HA HIS A 10 -51.900 0.762 -75.525 1.00 14.02 H new ATOM 0 HB2 HIS A 10 -52.257 -1.672 -76.113 1.00 52.32 H new ATOM 0 HB3 HIS A 10 -50.531 -1.812 -76.384 1.00 52.32 H new ATOM 0 HD2 HIS A 10 -48.946 -1.797 -73.992 1.00 51.11 H new ATOM 0 HE1 HIS A 10 -52.233 -2.025 -71.339 1.00 14.02 H new ATOM 0 HE2 HIS A 10 -49.708 -2.185 -71.541 1.00 4.54 H new ATOM 164 N MET A 11 -49.561 1.510 -74.947 1.00 34.04 N ATOM 165 CA MET A 11 -48.281 2.200 -74.686 1.00 40.51 C ATOM 166 C MET A 11 -47.620 1.651 -73.395 1.00 42.03 C ATOM 167 O MET A 11 -48.174 1.847 -72.306 1.00 62.41 O ATOM 168 CB MET A 11 -48.530 3.736 -74.556 1.00 33.43 C ATOM 169 CG MET A 11 -49.124 4.396 -75.815 1.00 71.53 C ATOM 170 SD MET A 11 -49.467 6.160 -75.585 1.00 75.42 S ATOM 171 CE MET A 11 -50.183 6.598 -77.173 1.00 53.34 C ATOM 0 H MET A 11 -50.255 1.650 -74.212 1.00 34.04 H new ATOM 0 HA MET A 11 -47.604 2.016 -75.520 1.00 40.51 H new ATOM 0 HB2 MET A 11 -49.203 3.912 -73.717 1.00 33.43 H new ATOM 0 HB3 MET A 11 -47.586 4.225 -74.316 1.00 33.43 H new ATOM 0 HG2 MET A 11 -48.431 4.270 -76.647 1.00 71.53 H new ATOM 0 HG3 MET A 11 -50.046 3.883 -76.088 1.00 71.53 H new ATOM 0 HE1 MET A 11 -50.443 7.657 -77.175 1.00 53.34 H new ATOM 0 HE2 MET A 11 -49.461 6.400 -77.965 1.00 53.34 H new ATOM 0 HE3 MET A 11 -51.081 6.004 -77.344 1.00 53.34 H new ATOM 181 N PRO A 12 -46.451 0.915 -73.495 1.00 72.45 N ATOM 182 CA PRO A 12 -45.682 0.455 -72.301 1.00 4.15 C ATOM 183 C PRO A 12 -45.159 1.632 -71.442 1.00 4.12 C ATOM 184 O PRO A 12 -44.321 2.422 -71.896 1.00 11.31 O ATOM 185 CB PRO A 12 -44.511 -0.376 -72.906 1.00 32.50 C ATOM 186 CG PRO A 12 -44.971 -0.737 -74.288 1.00 45.31 C ATOM 187 CD PRO A 12 -45.816 0.433 -74.755 1.00 22.13 C ATOM 0 HA PRO A 12 -46.303 -0.123 -71.617 1.00 4.15 H new ATOM 0 HB2 PRO A 12 -43.588 0.204 -72.935 1.00 32.50 H new ATOM 0 HB3 PRO A 12 -44.309 -1.267 -72.311 1.00 32.50 H new ATOM 0 HG2 PRO A 12 -44.123 -0.899 -74.954 1.00 45.31 H new ATOM 0 HG3 PRO A 12 -45.550 -1.660 -74.280 1.00 45.31 H new ATOM 0 HD2 PRO A 12 -45.208 1.208 -75.222 1.00 22.13 H new ATOM 0 HD3 PRO A 12 -46.560 0.125 -75.489 1.00 22.13 H new ATOM 195 N ASN A 13 -45.687 1.742 -70.208 1.00 45.20 N ATOM 196 CA ASN A 13 -45.314 2.796 -69.247 1.00 53.51 C ATOM 197 C ASN A 13 -45.149 2.209 -67.834 1.00 71.23 C ATOM 198 O ASN A 13 -45.751 1.174 -67.506 1.00 23.12 O ATOM 199 CB ASN A 13 -46.377 3.928 -69.246 1.00 2.11 C ATOM 200 CG ASN A 13 -47.767 3.515 -68.721 1.00 61.34 C ATOM 201 OD1 ASN A 13 -48.217 2.386 -68.907 1.00 71.34 O ATOM 202 ND2 ASN A 13 -48.457 4.435 -68.059 1.00 31.04 N ATOM 0 H ASN A 13 -46.390 1.096 -69.848 1.00 45.20 H new ATOM 0 HA ASN A 13 -44.358 3.219 -69.554 1.00 53.51 H new ATOM 0 HB2 ASN A 13 -46.006 4.754 -68.639 1.00 2.11 H new ATOM 0 HB3 ASN A 13 -46.486 4.304 -70.263 1.00 2.11 H new ATOM 0 HD21 ASN A 13 -49.382 4.212 -67.692 1.00 31.04 H new ATOM 0 HD22 ASN A 13 -48.062 5.365 -67.917 1.00 31.04 H new ATOM 209 N GLY A 14 -44.330 2.878 -67.007 1.00 13.43 N ATOM 210 CA GLY A 14 -44.095 2.443 -65.636 1.00 64.01 C ATOM 211 C GLY A 14 -42.836 3.064 -65.045 1.00 35.10 C ATOM 212 O GLY A 14 -41.811 2.388 -64.918 1.00 24.33 O ATOM 0 H GLY A 14 -43.823 3.722 -67.272 1.00 13.43 H new ATOM 0 HA2 GLY A 14 -44.954 2.709 -65.020 1.00 64.01 H new ATOM 0 HA3 GLY A 14 -44.009 1.357 -65.611 1.00 64.01 H new ATOM 216 N LYS A 15 -42.899 4.373 -64.737 1.00 54.34 N ATOM 217 CA LYS A 15 -41.834 5.095 -64.005 1.00 35.14 C ATOM 218 C LYS A 15 -42.090 4.992 -62.495 1.00 22.10 C ATOM 219 O LYS A 15 -43.251 5.036 -62.044 1.00 15.15 O ATOM 220 CB LYS A 15 -41.756 6.588 -64.445 1.00 45.21 C ATOM 221 CG LYS A 15 -41.359 6.807 -65.930 1.00 44.15 C ATOM 222 CD LYS A 15 -41.219 8.305 -66.305 1.00 61.23 C ATOM 223 CE LYS A 15 -40.067 9.015 -65.566 1.00 72.03 C ATOM 224 NZ LYS A 15 -38.745 8.413 -65.875 1.00 4.53 N ATOM 0 H LYS A 15 -43.691 4.964 -64.988 1.00 54.34 H new ATOM 0 HA LYS A 15 -40.876 4.633 -64.242 1.00 35.14 H new ATOM 0 HB2 LYS A 15 -42.725 7.055 -64.269 1.00 45.21 H new ATOM 0 HB3 LYS A 15 -41.034 7.102 -63.810 1.00 45.21 H new ATOM 0 HG2 LYS A 15 -40.415 6.299 -66.127 1.00 44.15 H new ATOM 0 HG3 LYS A 15 -42.109 6.346 -66.573 1.00 44.15 H new ATOM 0 HD2 LYS A 15 -41.058 8.390 -67.380 1.00 61.23 H new ATOM 0 HD3 LYS A 15 -42.155 8.817 -66.081 1.00 61.23 H new ATOM 0 HE2 LYS A 15 -40.057 10.070 -65.841 1.00 72.03 H new ATOM 0 HE3 LYS A 15 -40.243 8.968 -64.491 1.00 72.03 H new ATOM 0 HZ1 LYS A 15 -37.991 9.002 -65.467 1.00 4.53 H new ATOM 0 HZ2 LYS A 15 -38.695 7.457 -65.469 1.00 4.53 H new ATOM 0 HZ3 LYS A 15 -38.621 8.358 -66.906 1.00 4.53 H new ATOM 238 N LEU A 16 -40.989 4.862 -61.734 1.00 4.25 N ATOM 239 CA LEU A 16 -41.001 4.578 -60.291 1.00 43.31 C ATOM 240 C LEU A 16 -39.558 4.689 -59.760 1.00 11.44 C ATOM 241 O LEU A 16 -38.600 4.323 -60.457 1.00 12.44 O ATOM 242 CB LEU A 16 -41.635 3.169 -60.040 1.00 63.35 C ATOM 243 CG LEU A 16 -41.670 2.618 -58.565 1.00 5.21 C ATOM 244 CD1 LEU A 16 -42.887 1.697 -58.325 1.00 1.42 C ATOM 245 CD2 LEU A 16 -40.367 1.865 -58.201 1.00 64.13 C ATOM 0 H LEU A 16 -40.047 4.954 -62.115 1.00 4.25 H new ATOM 0 HA LEU A 16 -41.613 5.299 -59.750 1.00 43.31 H new ATOM 0 HB2 LEU A 16 -42.660 3.195 -60.410 1.00 63.35 H new ATOM 0 HB3 LEU A 16 -41.094 2.447 -60.652 1.00 63.35 H new ATOM 0 HG LEU A 16 -41.760 3.489 -57.916 1.00 5.21 H new ATOM 0 HD11 LEU A 16 -42.874 1.338 -57.296 1.00 1.42 H new ATOM 0 HD12 LEU A 16 -43.806 2.255 -58.503 1.00 1.42 H new ATOM 0 HD13 LEU A 16 -42.840 0.847 -59.006 1.00 1.42 H new ATOM 0 HD21 LEU A 16 -40.432 1.501 -57.176 1.00 64.13 H new ATOM 0 HD22 LEU A 16 -40.233 1.021 -58.878 1.00 64.13 H new ATOM 0 HD23 LEU A 16 -39.518 2.542 -58.293 1.00 64.13 H new ATOM 257 N LYS A 17 -39.416 5.209 -58.527 1.00 54.41 N ATOM 258 CA LYS A 17 -38.110 5.347 -57.848 1.00 44.22 C ATOM 259 C LYS A 17 -38.317 5.352 -56.321 1.00 43.32 C ATOM 260 O LYS A 17 -38.689 6.384 -55.733 1.00 34.44 O ATOM 261 CB LYS A 17 -37.398 6.641 -58.314 1.00 14.12 C ATOM 262 CG LYS A 17 -35.934 6.796 -57.841 1.00 64.54 C ATOM 263 CD LYS A 17 -35.306 8.155 -58.248 1.00 20.15 C ATOM 264 CE LYS A 17 -35.308 8.376 -59.774 1.00 74.43 C ATOM 265 NZ LYS A 17 -34.744 9.697 -60.155 1.00 64.31 N ATOM 0 H LYS A 17 -40.202 5.546 -57.972 1.00 54.41 H new ATOM 0 HA LYS A 17 -37.476 4.500 -58.110 1.00 44.22 H new ATOM 0 HB2 LYS A 17 -37.416 6.674 -59.403 1.00 14.12 H new ATOM 0 HB3 LYS A 17 -37.970 7.499 -57.960 1.00 14.12 H new ATOM 0 HG2 LYS A 17 -35.896 6.695 -56.756 1.00 64.54 H new ATOM 0 HG3 LYS A 17 -35.336 5.986 -58.258 1.00 64.54 H new ATOM 0 HD2 LYS A 17 -35.856 8.964 -57.767 1.00 20.15 H new ATOM 0 HD3 LYS A 17 -34.281 8.203 -57.879 1.00 20.15 H new ATOM 0 HE2 LYS A 17 -34.731 7.585 -60.254 1.00 74.43 H new ATOM 0 HE3 LYS A 17 -36.329 8.298 -60.149 1.00 74.43 H new ATOM 0 HZ1 LYS A 17 -34.767 9.799 -61.190 1.00 64.31 H new ATOM 0 HZ2 LYS A 17 -35.309 10.454 -59.720 1.00 64.31 H new ATOM 0 HZ3 LYS A 17 -33.761 9.764 -59.822 1.00 64.31 H new ATOM 279 N CYS A 18 -38.104 4.174 -55.703 1.00 4.43 N ATOM 280 CA CYS A 18 -38.260 3.965 -54.255 1.00 14.22 C ATOM 281 C CYS A 18 -37.622 2.618 -53.855 1.00 51.42 C ATOM 282 O CYS A 18 -38.264 1.559 -53.926 1.00 22.11 O ATOM 283 CB CYS A 18 -39.758 4.004 -53.872 1.00 23.55 C ATOM 284 SG CYS A 18 -40.787 2.857 -54.818 1.00 63.41 S ATOM 0 H CYS A 18 -37.816 3.333 -56.203 1.00 4.43 H new ATOM 0 HA CYS A 18 -37.752 4.764 -53.715 1.00 14.22 H new ATOM 0 HB2 CYS A 18 -39.858 3.775 -52.811 1.00 23.55 H new ATOM 0 HB3 CYS A 18 -40.133 5.017 -54.016 1.00 23.55 H new ATOM 0 HG CYS A 18 -40.161 1.726 -54.957 1.00 63.41 H new ATOM 290 N ASP A 19 -36.336 2.663 -53.475 1.00 71.11 N ATOM 291 CA ASP A 19 -35.547 1.464 -53.129 1.00 62.21 C ATOM 292 C ASP A 19 -34.471 1.839 -52.097 1.00 22.24 C ATOM 293 O ASP A 19 -33.486 2.510 -52.432 1.00 23.51 O ATOM 294 CB ASP A 19 -34.912 0.851 -54.416 1.00 32.21 C ATOM 295 CG ASP A 19 -33.866 -0.251 -54.141 1.00 73.43 C ATOM 296 OD1 ASP A 19 -34.234 -1.341 -53.665 1.00 52.15 O ATOM 297 OD2 ASP A 19 -32.661 -0.024 -54.385 1.00 3.43 O ATOM 0 H ASP A 19 -35.810 3.533 -53.398 1.00 71.11 H new ATOM 0 HA ASP A 19 -36.198 0.709 -52.688 1.00 62.21 H new ATOM 0 HB2 ASP A 19 -35.706 0.436 -55.037 1.00 32.21 H new ATOM 0 HB3 ASP A 19 -34.441 1.648 -54.991 1.00 32.21 H new ATOM 302 N VAL A 20 -34.702 1.448 -50.834 1.00 22.42 N ATOM 303 CA VAL A 20 -33.767 1.683 -49.711 1.00 3.25 C ATOM 304 C VAL A 20 -32.949 0.411 -49.398 1.00 2.32 C ATOM 305 O VAL A 20 -33.301 -0.695 -49.835 1.00 11.44 O ATOM 306 CB VAL A 20 -34.536 2.156 -48.416 1.00 32.30 C ATOM 307 CG1 VAL A 20 -35.188 3.542 -48.625 1.00 60.32 C ATOM 308 CG2 VAL A 20 -35.600 1.113 -47.978 1.00 53.23 C ATOM 0 H VAL A 20 -35.550 0.955 -50.556 1.00 22.42 H new ATOM 0 HA VAL A 20 -33.084 2.475 -50.017 1.00 3.25 H new ATOM 0 HB VAL A 20 -33.800 2.245 -47.617 1.00 32.30 H new ATOM 0 HG11 VAL A 20 -35.710 3.840 -47.715 1.00 60.32 H new ATOM 0 HG12 VAL A 20 -34.416 4.276 -48.857 1.00 60.32 H new ATOM 0 HG13 VAL A 20 -35.898 3.489 -49.450 1.00 60.32 H new ATOM 0 HG21 VAL A 20 -36.112 1.469 -47.084 1.00 53.23 H new ATOM 0 HG22 VAL A 20 -36.325 0.974 -48.780 1.00 53.23 H new ATOM 0 HG23 VAL A 20 -35.111 0.163 -47.763 1.00 53.23 H new ATOM 318 N CYS A 21 -31.863 0.591 -48.627 1.00 71.21 N ATOM 319 CA CYS A 21 -30.956 -0.498 -48.227 1.00 2.42 C ATOM 320 C CYS A 21 -30.141 -0.076 -46.994 1.00 61.35 C ATOM 321 O CYS A 21 -29.531 1.000 -46.984 1.00 45.13 O ATOM 322 CB CYS A 21 -30.012 -0.859 -49.393 1.00 73.50 C ATOM 323 SG CYS A 21 -28.966 0.506 -49.971 1.00 35.30 S ATOM 0 H CYS A 21 -31.588 1.503 -48.261 1.00 71.21 H new ATOM 0 HA CYS A 21 -31.549 -1.377 -47.973 1.00 2.42 H new ATOM 0 HB2 CYS A 21 -29.371 -1.684 -49.082 1.00 73.50 H new ATOM 0 HB3 CYS A 21 -30.611 -1.219 -50.229 1.00 73.50 H new ATOM 0 HG CYS A 21 -28.718 1.312 -48.981 1.00 35.30 H new ATOM 329 N GLY A 22 -30.140 -0.933 -45.953 1.00 2.13 N ATOM 330 CA GLY A 22 -29.414 -0.655 -44.708 1.00 13.33 C ATOM 331 C GLY A 22 -30.269 0.081 -43.676 1.00 13.01 C ATOM 332 O GLY A 22 -29.733 0.816 -42.838 1.00 13.35 O ATOM 0 H GLY A 22 -30.637 -1.824 -45.955 1.00 2.13 H new ATOM 0 HA2 GLY A 22 -29.063 -1.594 -44.280 1.00 13.33 H new ATOM 0 HA3 GLY A 22 -28.530 -0.058 -44.933 1.00 13.33 H new ATOM 336 N MET A 23 -31.606 -0.081 -43.763 1.00 2.42 N ATOM 337 CA MET A 23 -32.549 0.460 -42.757 1.00 12.00 C ATOM 338 C MET A 23 -32.617 -0.509 -41.558 1.00 43.41 C ATOM 339 O MET A 23 -32.697 -1.728 -41.763 1.00 41.20 O ATOM 340 CB MET A 23 -33.965 0.647 -43.379 1.00 15.34 C ATOM 341 CG MET A 23 -35.015 1.246 -42.419 1.00 50.54 C ATOM 342 SD MET A 23 -36.701 1.197 -43.074 1.00 63.25 S ATOM 343 CE MET A 23 -36.581 2.228 -44.535 1.00 71.23 C ATOM 0 H MET A 23 -32.061 -0.585 -44.524 1.00 2.42 H new ATOM 0 HA MET A 23 -32.196 1.435 -42.420 1.00 12.00 H new ATOM 0 HB2 MET A 23 -33.881 1.293 -44.253 1.00 15.34 H new ATOM 0 HB3 MET A 23 -34.324 -0.320 -43.731 1.00 15.34 H new ATOM 0 HG2 MET A 23 -34.984 0.703 -41.475 1.00 50.54 H new ATOM 0 HG3 MET A 23 -34.748 2.280 -42.201 1.00 50.54 H new ATOM 0 HE1 MET A 23 -37.464 2.082 -45.157 1.00 71.23 H new ATOM 0 HE2 MET A 23 -36.515 3.275 -44.237 1.00 71.23 H new ATOM 0 HE3 MET A 23 -35.690 1.955 -45.101 1.00 71.23 H new ATOM 353 N VAL A 24 -32.604 0.052 -40.321 1.00 11.00 N ATOM 354 CA VAL A 24 -32.605 -0.715 -39.063 1.00 61.13 C ATOM 355 C VAL A 24 -31.333 -1.599 -38.962 1.00 55.41 C ATOM 356 O VAL A 24 -31.347 -2.787 -39.311 1.00 43.23 O ATOM 357 CB VAL A 24 -33.934 -1.557 -38.852 1.00 41.13 C ATOM 358 CG1 VAL A 24 -33.915 -2.338 -37.519 1.00 12.33 C ATOM 359 CG2 VAL A 24 -35.174 -0.631 -38.905 1.00 24.13 C ATOM 0 H VAL A 24 -32.592 1.061 -40.175 1.00 11.00 H new ATOM 0 HA VAL A 24 -32.584 0.007 -38.246 1.00 61.13 H new ATOM 0 HB VAL A 24 -33.991 -2.283 -39.663 1.00 41.13 H new ATOM 0 HG11 VAL A 24 -34.843 -2.901 -37.414 1.00 12.33 H new ATOM 0 HG12 VAL A 24 -33.070 -3.027 -37.513 1.00 12.33 H new ATOM 0 HG13 VAL A 24 -33.819 -1.638 -36.689 1.00 12.33 H new ATOM 0 HG21 VAL A 24 -36.077 -1.224 -38.759 1.00 24.13 H new ATOM 0 HG22 VAL A 24 -35.101 0.120 -38.118 1.00 24.13 H new ATOM 0 HG23 VAL A 24 -35.218 -0.137 -39.875 1.00 24.13 H new ATOM 369 N CYS A 25 -30.222 -0.963 -38.554 1.00 54.24 N ATOM 370 CA CYS A 25 -28.941 -1.627 -38.328 1.00 15.15 C ATOM 371 C CYS A 25 -27.984 -0.657 -37.627 1.00 73.21 C ATOM 372 O CYS A 25 -27.153 0.004 -38.271 1.00 63.41 O ATOM 373 CB CYS A 25 -28.314 -2.175 -39.640 1.00 64.22 C ATOM 374 SG CYS A 25 -26.791 -3.120 -39.381 1.00 35.23 S ATOM 0 H CYS A 25 -30.195 0.040 -38.371 1.00 54.24 H new ATOM 0 HA CYS A 25 -29.119 -2.493 -37.690 1.00 15.15 H new ATOM 0 HB2 CYS A 25 -29.043 -2.810 -40.143 1.00 64.22 H new ATOM 0 HB3 CYS A 25 -28.104 -1.340 -40.308 1.00 64.22 H new ATOM 0 HG CYS A 25 -26.340 -3.539 -40.526 1.00 35.23 H new ATOM 380 N ILE A 26 -28.170 -0.524 -36.306 1.00 10.33 N ATOM 381 CA ILE A 26 -27.262 0.223 -35.425 1.00 41.42 C ATOM 382 C ILE A 26 -27.480 -0.242 -33.971 1.00 73.01 C ATOM 383 O ILE A 26 -28.628 -0.313 -33.490 1.00 45.23 O ATOM 384 CB ILE A 26 -27.435 1.799 -35.553 1.00 11.44 C ATOM 385 CG1 ILE A 26 -26.480 2.562 -34.570 1.00 74.34 C ATOM 386 CG2 ILE A 26 -28.905 2.232 -35.351 1.00 73.10 C ATOM 387 CD1 ILE A 26 -26.574 4.085 -34.616 1.00 51.23 C ATOM 0 H ILE A 26 -28.963 -0.936 -35.815 1.00 10.33 H new ATOM 0 HA ILE A 26 -26.239 0.010 -35.735 1.00 41.42 H new ATOM 0 HB ILE A 26 -27.152 2.071 -36.570 1.00 11.44 H new ATOM 0 HG12 ILE A 26 -26.694 2.232 -33.553 1.00 74.34 H new ATOM 0 HG13 ILE A 26 -25.453 2.271 -34.790 1.00 74.34 H new ATOM 0 HG21 ILE A 26 -28.982 3.315 -35.446 1.00 73.10 H new ATOM 0 HG22 ILE A 26 -29.531 1.756 -36.106 1.00 73.10 H new ATOM 0 HG23 ILE A 26 -29.240 1.930 -34.359 1.00 73.10 H new ATOM 0 HD11 ILE A 26 -25.874 4.515 -33.899 1.00 51.23 H new ATOM 0 HD12 ILE A 26 -26.327 4.435 -35.619 1.00 51.23 H new ATOM 0 HD13 ILE A 26 -27.588 4.395 -34.363 1.00 51.23 H new ATOM 399 N GLY A 27 -26.380 -0.570 -33.288 1.00 33.31 N ATOM 400 CA GLY A 27 -26.411 -0.984 -31.892 1.00 72.54 C ATOM 401 C GLY A 27 -25.131 -0.548 -31.197 1.00 21.03 C ATOM 402 O GLY A 27 -24.064 -0.681 -31.808 1.00 32.55 O ATOM 0 H GLY A 27 -25.444 -0.554 -33.693 1.00 33.31 H new ATOM 0 HA2 GLY A 27 -27.275 -0.545 -31.392 1.00 72.54 H new ATOM 0 HA3 GLY A 27 -26.521 -2.066 -31.827 1.00 72.54 H new ATOM 406 N PRO A 28 -25.196 0.000 -29.939 1.00 31.11 N ATOM 407 CA PRO A 28 -24.002 0.477 -29.198 1.00 25.01 C ATOM 408 C PRO A 28 -22.843 -0.547 -29.152 1.00 45.13 C ATOM 409 O PRO A 28 -22.960 -1.612 -28.532 1.00 33.23 O ATOM 410 CB PRO A 28 -24.554 0.762 -27.784 1.00 14.31 C ATOM 411 CG PRO A 28 -25.994 1.106 -28.008 1.00 51.43 C ATOM 412 CD PRO A 28 -26.445 0.225 -29.158 1.00 52.42 C ATOM 0 HA PRO A 28 -23.554 1.344 -29.682 1.00 25.01 H new ATOM 0 HB2 PRO A 28 -24.450 -0.107 -27.134 1.00 14.31 H new ATOM 0 HB3 PRO A 28 -24.019 1.583 -27.307 1.00 14.31 H new ATOM 0 HG2 PRO A 28 -26.587 0.917 -27.113 1.00 51.43 H new ATOM 0 HG3 PRO A 28 -26.112 2.162 -28.252 1.00 51.43 H new ATOM 0 HD2 PRO A 28 -26.869 -0.714 -28.801 1.00 52.42 H new ATOM 0 HD3 PRO A 28 -27.212 0.713 -29.760 1.00 52.42 H new ATOM 420 N ASN A 29 -21.749 -0.213 -29.858 1.00 33.22 N ATOM 421 CA ASN A 29 -20.497 -0.999 -29.863 1.00 42.14 C ATOM 422 C ASN A 29 -19.843 -0.985 -28.460 1.00 55.21 C ATOM 423 O ASN A 29 -19.091 -1.900 -28.102 1.00 3.13 O ATOM 424 CB ASN A 29 -19.536 -0.440 -30.950 1.00 23.51 C ATOM 425 CG ASN A 29 -18.244 -1.254 -31.132 1.00 1.03 C ATOM 426 OD1 ASN A 29 -17.240 -1.009 -30.467 1.00 70.35 O ATOM 427 ND2 ASN A 29 -18.261 -2.238 -32.024 1.00 63.25 N ATOM 0 H ASN A 29 -21.706 0.618 -30.448 1.00 33.22 H new ATOM 0 HA ASN A 29 -20.720 -2.038 -30.106 1.00 42.14 H new ATOM 0 HB2 ASN A 29 -20.065 -0.403 -31.902 1.00 23.51 H new ATOM 0 HB3 ASN A 29 -19.272 0.586 -30.692 1.00 23.51 H new ATOM 0 HD21 ASN A 29 -17.429 -2.809 -32.169 1.00 63.25 H new ATOM 0 HD22 ASN A 29 -19.106 -2.422 -32.564 1.00 63.25 H new ATOM 434 N VAL A 30 -20.162 0.056 -27.673 1.00 73.30 N ATOM 435 CA VAL A 30 -19.725 0.179 -26.279 1.00 60.02 C ATOM 436 C VAL A 30 -20.454 -0.855 -25.377 1.00 44.30 C ATOM 437 O VAL A 30 -19.870 -1.364 -24.415 1.00 33.11 O ATOM 438 CB VAL A 30 -19.939 1.648 -25.763 1.00 3.22 C ATOM 439 CG1 VAL A 30 -21.435 2.025 -25.701 1.00 3.52 C ATOM 440 CG2 VAL A 30 -19.252 1.879 -24.402 1.00 23.20 C ATOM 0 H VAL A 30 -20.734 0.838 -27.991 1.00 73.30 H new ATOM 0 HA VAL A 30 -18.658 -0.040 -26.229 1.00 60.02 H new ATOM 0 HB VAL A 30 -19.466 2.309 -26.489 1.00 3.22 H new ATOM 0 HG11 VAL A 30 -21.538 3.048 -25.339 1.00 3.52 H new ATOM 0 HG12 VAL A 30 -21.872 1.947 -26.697 1.00 3.52 H new ATOM 0 HG13 VAL A 30 -21.953 1.347 -25.023 1.00 3.52 H new ATOM 0 HG21 VAL A 30 -19.422 2.906 -24.078 1.00 23.20 H new ATOM 0 HG22 VAL A 30 -19.666 1.192 -23.664 1.00 23.20 H new ATOM 0 HG23 VAL A 30 -18.181 1.703 -24.500 1.00 23.20 H new ATOM 450 N LEU A 31 -21.723 -1.174 -25.716 1.00 60.12 N ATOM 451 CA LEU A 31 -22.502 -2.234 -25.047 1.00 73.54 C ATOM 452 C LEU A 31 -21.906 -3.617 -25.394 1.00 52.24 C ATOM 453 O LEU A 31 -21.861 -4.515 -24.542 1.00 2.14 O ATOM 454 CB LEU A 31 -23.981 -2.144 -25.501 1.00 63.33 C ATOM 455 CG LEU A 31 -24.970 -3.240 -24.972 1.00 54.12 C ATOM 456 CD1 LEU A 31 -25.144 -3.170 -23.441 1.00 64.42 C ATOM 457 CD2 LEU A 31 -26.338 -3.149 -25.681 1.00 71.10 C ATOM 0 H LEU A 31 -22.234 -0.702 -26.462 1.00 60.12 H new ATOM 0 HA LEU A 31 -22.457 -2.102 -23.966 1.00 73.54 H new ATOM 0 HB2 LEU A 31 -24.366 -1.170 -25.200 1.00 63.33 H new ATOM 0 HB3 LEU A 31 -24.000 -2.171 -26.590 1.00 63.33 H new ATOM 0 HG LEU A 31 -24.526 -4.207 -25.208 1.00 54.12 H new ATOM 0 HD11 LEU A 31 -25.837 -3.947 -23.118 1.00 64.42 H new ATOM 0 HD12 LEU A 31 -24.179 -3.321 -22.958 1.00 64.42 H new ATOM 0 HD13 LEU A 31 -25.539 -2.193 -23.164 1.00 64.42 H new ATOM 0 HD21 LEU A 31 -27.001 -3.922 -25.292 1.00 71.10 H new ATOM 0 HD22 LEU A 31 -26.778 -2.168 -25.499 1.00 71.10 H new ATOM 0 HD23 LEU A 31 -26.202 -3.293 -26.753 1.00 71.10 H new ATOM 469 N MET A 32 -21.440 -3.748 -26.657 1.00 74.21 N ATOM 470 CA MET A 32 -20.797 -4.974 -27.169 1.00 54.04 C ATOM 471 C MET A 32 -19.513 -5.307 -26.387 1.00 73.12 C ATOM 472 O MET A 32 -19.360 -6.420 -25.886 1.00 60.52 O ATOM 473 CB MET A 32 -20.459 -4.803 -28.677 1.00 35.34 C ATOM 474 CG MET A 32 -19.785 -6.023 -29.349 1.00 2.11 C ATOM 475 SD MET A 32 -18.698 -5.553 -30.715 1.00 52.32 S ATOM 476 CE MET A 32 -17.400 -4.675 -29.835 1.00 70.11 C ATOM 0 H MET A 32 -21.501 -3.002 -27.350 1.00 74.21 H new ATOM 0 HA MET A 32 -21.498 -5.799 -27.038 1.00 54.04 H new ATOM 0 HB2 MET A 32 -21.380 -4.576 -29.215 1.00 35.34 H new ATOM 0 HB3 MET A 32 -19.803 -3.940 -28.789 1.00 35.34 H new ATOM 0 HG2 MET A 32 -19.209 -6.571 -28.604 1.00 2.11 H new ATOM 0 HG3 MET A 32 -20.555 -6.700 -29.719 1.00 2.11 H new ATOM 0 HE1 MET A 32 -16.488 -4.680 -30.432 1.00 70.11 H new ATOM 0 HE2 MET A 32 -17.712 -3.646 -29.659 1.00 70.11 H new ATOM 0 HE3 MET A 32 -17.212 -5.166 -28.880 1.00 70.11 H new ATOM 486 N VAL A 33 -18.614 -4.319 -26.270 1.00 15.40 N ATOM 487 CA VAL A 33 -17.310 -4.512 -25.616 1.00 70.22 C ATOM 488 C VAL A 33 -17.472 -4.628 -24.083 1.00 13.32 C ATOM 489 O VAL A 33 -16.709 -5.348 -23.436 1.00 4.52 O ATOM 490 CB VAL A 33 -16.291 -3.379 -26.016 1.00 3.14 C ATOM 491 CG1 VAL A 33 -16.781 -1.975 -25.614 1.00 51.35 C ATOM 492 CG2 VAL A 33 -14.882 -3.650 -25.452 1.00 1.00 C ATOM 0 H VAL A 33 -18.767 -3.374 -26.621 1.00 15.40 H new ATOM 0 HA VAL A 33 -16.892 -5.454 -25.972 1.00 70.22 H new ATOM 0 HB VAL A 33 -16.228 -3.399 -27.104 1.00 3.14 H new ATOM 0 HG11 VAL A 33 -16.041 -1.232 -25.913 1.00 51.35 H new ATOM 0 HG12 VAL A 33 -17.728 -1.764 -26.111 1.00 51.35 H new ATOM 0 HG13 VAL A 33 -16.921 -1.934 -24.534 1.00 51.35 H new ATOM 0 HG21 VAL A 33 -14.210 -2.846 -25.750 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -14.929 -3.699 -24.364 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -14.510 -4.597 -25.842 1.00 1.00 H new ATOM 502 N HIS A 34 -18.494 -3.934 -23.523 1.00 12.40 N ATOM 503 CA HIS A 34 -18.881 -4.072 -22.093 1.00 22.01 C ATOM 504 C HIS A 34 -19.217 -5.545 -21.780 1.00 4.22 C ATOM 505 O HIS A 34 -18.739 -6.109 -20.784 1.00 61.04 O ATOM 506 CB HIS A 34 -20.104 -3.156 -21.768 1.00 60.53 C ATOM 507 CG HIS A 34 -20.568 -3.176 -20.318 1.00 74.32 C ATOM 508 ND1 HIS A 34 -20.341 -2.133 -19.445 1.00 24.22 N ATOM 509 CD2 HIS A 34 -21.287 -4.091 -19.611 1.00 42.43 C ATOM 510 CE1 HIS A 34 -20.889 -2.406 -18.279 1.00 23.50 C ATOM 511 NE2 HIS A 34 -21.467 -3.584 -18.356 1.00 31.32 N ATOM 0 H HIS A 34 -19.069 -3.270 -24.042 1.00 12.40 H new ATOM 0 HA HIS A 34 -18.043 -3.760 -21.470 1.00 22.01 H new ATOM 0 HB2 HIS A 34 -19.850 -2.131 -22.036 1.00 60.53 H new ATOM 0 HB3 HIS A 34 -20.938 -3.454 -22.403 1.00 60.53 H new ATOM 0 HD2 HIS A 34 -21.648 -5.041 -19.975 1.00 42.43 H new ATOM 0 HE1 HIS A 34 -20.867 -1.769 -17.407 1.00 23.50 H new ATOM 0 HE2 HIS A 34 -21.970 -4.046 -17.599 1.00 31.32 H new ATOM 520 N LYS A 35 -20.042 -6.132 -22.667 1.00 75.41 N ATOM 521 CA LYS A 35 -20.477 -7.530 -22.597 1.00 72.12 C ATOM 522 C LYS A 35 -19.264 -8.470 -22.667 1.00 14.22 C ATOM 523 O LYS A 35 -19.125 -9.360 -21.833 1.00 31.54 O ATOM 524 CB LYS A 35 -21.461 -7.807 -23.760 1.00 43.23 C ATOM 525 CG LYS A 35 -22.018 -9.244 -23.811 1.00 65.01 C ATOM 526 CD LYS A 35 -22.884 -9.483 -25.064 1.00 75.51 C ATOM 527 CE LYS A 35 -23.500 -10.890 -25.090 1.00 64.24 C ATOM 528 NZ LYS A 35 -24.434 -11.117 -23.952 1.00 73.11 N ATOM 0 H LYS A 35 -20.430 -5.633 -23.467 1.00 75.41 H new ATOM 0 HA LYS A 35 -20.983 -7.713 -21.649 1.00 72.12 H new ATOM 0 HB2 LYS A 35 -22.297 -7.112 -23.683 1.00 43.23 H new ATOM 0 HB3 LYS A 35 -20.956 -7.595 -24.702 1.00 43.23 H new ATOM 0 HG2 LYS A 35 -21.191 -9.954 -23.801 1.00 65.01 H new ATOM 0 HG3 LYS A 35 -22.613 -9.434 -22.918 1.00 65.01 H new ATOM 0 HD2 LYS A 35 -23.681 -8.740 -25.099 1.00 75.51 H new ATOM 0 HD3 LYS A 35 -22.275 -9.339 -25.956 1.00 75.51 H new ATOM 0 HE2 LYS A 35 -24.033 -11.034 -26.030 1.00 64.24 H new ATOM 0 HE3 LYS A 35 -22.704 -11.634 -25.058 1.00 64.24 H new ATOM 0 HZ1 LYS A 35 -24.952 -12.007 -24.100 1.00 73.11 H new ATOM 0 HZ2 LYS A 35 -23.893 -11.174 -23.065 1.00 73.11 H new ATOM 0 HZ3 LYS A 35 -25.110 -10.329 -23.895 1.00 73.11 H new ATOM 542 N ARG A 36 -18.369 -8.213 -23.641 1.00 3.11 N ATOM 543 CA ARG A 36 -17.204 -9.081 -23.905 1.00 71.10 C ATOM 544 C ARG A 36 -16.128 -8.984 -22.796 1.00 11.42 C ATOM 545 O ARG A 36 -15.320 -9.911 -22.632 1.00 3.14 O ATOM 546 CB ARG A 36 -16.596 -8.756 -25.290 1.00 41.43 C ATOM 547 CG ARG A 36 -17.555 -9.004 -26.481 1.00 22.43 C ATOM 548 CD ARG A 36 -18.143 -10.434 -26.489 1.00 60.22 C ATOM 549 NE ARG A 36 -18.996 -10.688 -27.661 1.00 41.10 N ATOM 550 CZ ARG A 36 -19.052 -11.844 -28.334 1.00 33.41 C ATOM 551 NH1 ARG A 36 -18.304 -12.885 -27.974 1.00 10.23 N ATOM 552 NH2 ARG A 36 -19.872 -11.961 -29.361 1.00 3.53 N ATOM 0 H ARG A 36 -18.432 -7.406 -24.262 1.00 3.11 H new ATOM 0 HA ARG A 36 -17.562 -10.111 -23.905 1.00 71.10 H new ATOM 0 HB2 ARG A 36 -16.284 -7.712 -25.301 1.00 41.43 H new ATOM 0 HB3 ARG A 36 -15.698 -9.358 -25.430 1.00 41.43 H new ATOM 0 HG2 ARG A 36 -18.370 -8.281 -26.442 1.00 22.43 H new ATOM 0 HG3 ARG A 36 -17.020 -8.831 -27.415 1.00 22.43 H new ATOM 0 HD2 ARG A 36 -17.328 -11.158 -26.473 1.00 60.22 H new ATOM 0 HD3 ARG A 36 -18.725 -10.589 -25.580 1.00 60.22 H new ATOM 0 HE ARG A 36 -19.590 -9.925 -27.985 1.00 41.10 H new ATOM 0 HH11 ARG A 36 -17.676 -12.809 -27.174 1.00 10.23 H new ATOM 0 HH12 ARG A 36 -18.359 -13.758 -28.498 1.00 10.23 H new ATOM 0 HH21 ARG A 36 -20.458 -11.174 -29.638 1.00 3.53 H new ATOM 0 HH22 ARG A 36 -19.920 -12.839 -29.878 1.00 3.53 H new ATOM 566 N SER A 37 -16.123 -7.863 -22.053 1.00 54.30 N ATOM 567 CA SER A 37 -15.254 -7.691 -20.873 1.00 31.43 C ATOM 568 C SER A 37 -15.798 -8.487 -19.674 1.00 41.44 C ATOM 569 O SER A 37 -15.024 -9.009 -18.869 1.00 11.30 O ATOM 570 CB SER A 37 -15.139 -6.193 -20.521 1.00 42.44 C ATOM 571 OG SER A 37 -14.533 -5.469 -21.576 1.00 5.13 O ATOM 0 H SER A 37 -16.716 -7.057 -22.250 1.00 54.30 H new ATOM 0 HA SER A 37 -14.262 -8.076 -21.110 1.00 31.43 H new ATOM 0 HB2 SER A 37 -16.130 -5.786 -20.318 1.00 42.44 H new ATOM 0 HB3 SER A 37 -14.553 -6.074 -19.610 1.00 42.44 H new ATOM 0 HG SER A 37 -15.178 -5.350 -22.304 1.00 5.13 H new ATOM 577 N HIS A 38 -17.136 -8.584 -19.582 1.00 42.53 N ATOM 578 CA HIS A 38 -17.818 -9.209 -18.431 1.00 12.44 C ATOM 579 C HIS A 38 -18.016 -10.721 -18.637 1.00 2.12 C ATOM 580 O HIS A 38 -18.148 -11.465 -17.655 1.00 32.25 O ATOM 581 CB HIS A 38 -19.174 -8.511 -18.178 1.00 34.23 C ATOM 582 CG HIS A 38 -19.848 -8.926 -16.892 1.00 43.24 C ATOM 583 ND1 HIS A 38 -20.720 -9.990 -16.806 1.00 4.03 N ATOM 584 CD2 HIS A 38 -19.757 -8.421 -15.638 1.00 24.53 C ATOM 585 CE1 HIS A 38 -21.135 -10.111 -15.564 1.00 12.23 C ATOM 586 NE2 HIS A 38 -20.565 -9.176 -14.838 1.00 24.23 N ATOM 0 H HIS A 38 -17.773 -8.234 -20.298 1.00 42.53 H new ATOM 0 HA HIS A 38 -17.182 -9.083 -17.555 1.00 12.44 H new ATOM 0 HB2 HIS A 38 -19.018 -7.432 -18.163 1.00 34.23 H new ATOM 0 HB3 HIS A 38 -19.842 -8.725 -19.012 1.00 34.23 H new ATOM 0 HD2 HIS A 38 -19.157 -7.578 -15.329 1.00 24.53 H new ATOM 0 HE1 HIS A 38 -21.829 -10.855 -15.201 1.00 12.23 H new ATOM 0 HE2 HIS A 38 -20.704 -9.037 -13.837 1.00 24.23 H new ATOM 595 N THR A 39 -18.056 -11.175 -19.908 1.00 65.12 N ATOM 596 CA THR A 39 -18.177 -12.606 -20.227 1.00 62.13 C ATOM 597 C THR A 39 -16.864 -13.330 -19.864 1.00 5.03 C ATOM 598 O THR A 39 -15.890 -13.307 -20.627 1.00 20.14 O ATOM 599 CB THR A 39 -18.535 -12.843 -21.739 1.00 73.12 C ATOM 600 OG1 THR A 39 -17.657 -12.067 -22.567 1.00 63.21 O ATOM 601 CG2 THR A 39 -20.001 -12.493 -22.062 1.00 74.24 C ATOM 0 H THR A 39 -18.006 -10.568 -20.726 1.00 65.12 H new ATOM 0 HA THR A 39 -18.996 -13.015 -19.635 1.00 62.13 H new ATOM 0 HB THR A 39 -18.406 -13.906 -21.942 1.00 73.12 H new ATOM 0 HG1 THR A 39 -16.737 -12.158 -22.243 1.00 63.21 H new ATOM 0 HG21 THR A 39 -20.194 -12.675 -23.119 1.00 74.24 H new ATOM 0 HG22 THR A 39 -20.664 -13.114 -21.460 1.00 74.24 H new ATOM 0 HG23 THR A 39 -20.183 -11.442 -21.836 1.00 74.24 H new ATOM 609 N GLY A 40 -16.834 -13.909 -18.653 1.00 3.11 N ATOM 610 CA GLY A 40 -15.675 -14.649 -18.151 1.00 61.33 C ATOM 611 C GLY A 40 -14.644 -13.757 -17.473 1.00 5.05 C ATOM 612 O GLY A 40 -14.316 -13.973 -16.290 1.00 55.13 O ATOM 0 H GLY A 40 -17.615 -13.875 -17.998 1.00 3.11 H new ATOM 0 HA2 GLY A 40 -16.013 -15.406 -17.443 1.00 61.33 H new ATOM 0 HA3 GLY A 40 -15.202 -15.176 -18.979 1.00 61.33 H new ATOM 616 N GLU A 41 -14.178 -12.723 -18.219 1.00 24.15 N ATOM 617 CA GLU A 41 -13.050 -11.858 -17.823 1.00 24.22 C ATOM 618 C GLU A 41 -11.804 -12.748 -17.586 1.00 73.03 C ATOM 619 O GLU A 41 -11.494 -13.145 -16.462 1.00 50.25 O ATOM 620 CB GLU A 41 -13.451 -10.952 -16.602 1.00 42.43 C ATOM 621 CG GLU A 41 -12.457 -9.811 -16.225 1.00 32.52 C ATOM 622 CD GLU A 41 -11.250 -10.273 -15.387 1.00 62.14 C ATOM 623 OE1 GLU A 41 -11.430 -10.558 -14.182 1.00 54.21 O ATOM 624 OE2 GLU A 41 -10.133 -10.395 -15.931 1.00 10.24 O ATOM 0 H GLU A 41 -14.583 -12.469 -19.120 1.00 24.15 H new ATOM 0 HA GLU A 41 -12.792 -11.157 -18.616 1.00 24.22 H new ATOM 0 HB2 GLU A 41 -14.421 -10.503 -16.815 1.00 42.43 H new ATOM 0 HB3 GLU A 41 -13.581 -11.593 -15.730 1.00 42.43 H new ATOM 0 HG2 GLU A 41 -12.092 -9.346 -17.141 1.00 32.52 H new ATOM 0 HG3 GLU A 41 -12.997 -9.043 -15.671 1.00 32.52 H new ATOM 631 N ARG A 42 -11.184 -13.148 -18.701 1.00 51.53 N ATOM 632 CA ARG A 42 -10.061 -14.101 -18.721 1.00 61.51 C ATOM 633 C ARG A 42 -8.785 -13.390 -19.236 1.00 4.05 C ATOM 634 O ARG A 42 -8.659 -13.149 -20.444 1.00 45.23 O ATOM 635 CB ARG A 42 -10.422 -15.376 -19.567 1.00 41.00 C ATOM 636 CG ARG A 42 -10.895 -15.140 -21.035 1.00 1.32 C ATOM 637 CD ARG A 42 -12.330 -14.564 -21.158 1.00 4.24 C ATOM 638 NE ARG A 42 -12.632 -14.040 -22.500 1.00 24.51 N ATOM 639 CZ ARG A 42 -13.214 -12.850 -22.754 1.00 52.30 C ATOM 640 NH1 ARG A 42 -13.571 -12.032 -21.756 1.00 13.50 N ATOM 641 NH2 ARG A 42 -13.443 -12.501 -24.001 1.00 51.42 N ATOM 0 H ARG A 42 -11.449 -12.817 -19.629 1.00 51.53 H new ATOM 0 HA ARG A 42 -9.862 -14.450 -17.708 1.00 61.51 H new ATOM 0 HB2 ARG A 42 -9.546 -16.025 -19.593 1.00 41.00 H new ATOM 0 HB3 ARG A 42 -11.206 -15.921 -19.041 1.00 41.00 H new ATOM 0 HG2 ARG A 42 -10.199 -14.458 -21.523 1.00 1.32 H new ATOM 0 HG3 ARG A 42 -10.848 -16.085 -21.576 1.00 1.32 H new ATOM 0 HD2 ARG A 42 -13.050 -15.344 -20.909 1.00 4.24 H new ATOM 0 HD3 ARG A 42 -12.458 -13.766 -20.426 1.00 4.24 H new ATOM 0 HE ARG A 42 -12.382 -14.622 -23.300 1.00 24.51 H new ATOM 0 HH11 ARG A 42 -13.404 -12.306 -20.788 1.00 13.50 H new ATOM 0 HH12 ARG A 42 -14.010 -11.135 -21.964 1.00 13.50 H new ATOM 0 HH21 ARG A 42 -13.181 -13.127 -24.762 1.00 51.42 H new ATOM 0 HH22 ARG A 42 -13.883 -11.604 -24.207 1.00 51.42 H new ATOM 655 N PRO A 43 -7.823 -13.011 -18.332 1.00 4.22 N ATOM 656 CA PRO A 43 -6.583 -12.302 -18.745 1.00 42.33 C ATOM 657 C PRO A 43 -5.620 -13.241 -19.488 1.00 51.12 C ATOM 658 O PRO A 43 -4.818 -13.957 -18.861 1.00 75.53 O ATOM 659 CB PRO A 43 -5.999 -11.791 -17.407 1.00 63.13 C ATOM 660 CG PRO A 43 -6.495 -12.771 -16.377 1.00 43.15 C ATOM 661 CD PRO A 43 -7.868 -13.220 -16.854 1.00 50.21 C ATOM 0 HA PRO A 43 -6.765 -11.491 -19.450 1.00 42.33 H new ATOM 0 HB2 PRO A 43 -4.910 -11.763 -17.435 1.00 63.13 H new ATOM 0 HB3 PRO A 43 -6.339 -10.779 -17.187 1.00 63.13 H new ATOM 0 HG2 PRO A 43 -5.816 -13.619 -16.287 1.00 43.15 H new ATOM 0 HG3 PRO A 43 -6.556 -12.306 -15.393 1.00 43.15 H new ATOM 0 HD2 PRO A 43 -8.056 -14.264 -16.604 1.00 50.21 H new ATOM 0 HD3 PRO A 43 -8.662 -12.634 -16.392 1.00 50.21 H new ATOM 669 N PHE A 44 -5.767 -13.276 -20.824 1.00 1.22 N ATOM 670 CA PHE A 44 -4.956 -14.121 -21.708 1.00 22.53 C ATOM 671 C PHE A 44 -3.473 -13.777 -21.533 1.00 64.34 C ATOM 672 O PHE A 44 -3.077 -12.627 -21.739 1.00 4.44 O ATOM 673 CB PHE A 44 -5.340 -13.919 -23.195 1.00 1.13 C ATOM 674 CG PHE A 44 -6.799 -14.202 -23.540 1.00 12.12 C ATOM 675 CD1 PHE A 44 -7.259 -15.510 -23.637 1.00 4.01 C ATOM 676 CD2 PHE A 44 -7.702 -13.164 -23.792 1.00 63.04 C ATOM 677 CE1 PHE A 44 -8.566 -15.775 -23.973 1.00 14.11 C ATOM 678 CE2 PHE A 44 -9.012 -13.432 -24.124 1.00 43.40 C ATOM 679 CZ PHE A 44 -9.444 -14.736 -24.217 1.00 71.41 C ATOM 0 H PHE A 44 -6.458 -12.713 -21.321 1.00 1.22 H new ATOM 0 HA PHE A 44 -5.143 -15.160 -21.436 1.00 22.53 H new ATOM 0 HB2 PHE A 44 -5.111 -12.891 -23.475 1.00 1.13 H new ATOM 0 HB3 PHE A 44 -4.708 -14.564 -23.806 1.00 1.13 H new ATOM 0 HD1 PHE A 44 -6.581 -16.329 -23.446 1.00 4.01 H new ATOM 0 HD2 PHE A 44 -7.368 -12.139 -23.725 1.00 63.04 H new ATOM 0 HE1 PHE A 44 -8.907 -16.797 -24.046 1.00 14.11 H new ATOM 0 HE2 PHE A 44 -9.699 -12.620 -24.311 1.00 43.40 H new ATOM 0 HZ PHE A 44 -10.470 -14.947 -24.481 1.00 71.41 H new ATOM 689 N HIS A 45 -2.671 -14.784 -21.199 1.00 41.53 N ATOM 690 CA HIS A 45 -1.229 -14.611 -21.011 1.00 3.11 C ATOM 691 C HIS A 45 -0.572 -14.744 -22.381 1.00 3.23 C ATOM 692 O HIS A 45 -1.004 -15.560 -23.204 1.00 14.22 O ATOM 693 CB HIS A 45 -0.652 -15.663 -20.030 1.00 22.10 C ATOM 694 CG HIS A 45 -1.225 -15.556 -18.649 1.00 25.30 C ATOM 695 ND1 HIS A 45 -2.285 -16.317 -18.213 1.00 35.34 N ATOM 696 CD2 HIS A 45 -0.877 -14.772 -17.607 1.00 13.23 C ATOM 697 CE1 HIS A 45 -2.555 -16.009 -16.965 1.00 54.14 C ATOM 698 NE2 HIS A 45 -1.717 -15.076 -16.576 1.00 53.34 N ATOM 0 H HIS A 45 -2.997 -15.739 -21.051 1.00 41.53 H new ATOM 0 HA HIS A 45 -1.028 -13.632 -20.575 1.00 3.11 H new ATOM 0 HB2 HIS A 45 -0.847 -16.661 -20.421 1.00 22.10 H new ATOM 0 HB3 HIS A 45 0.431 -15.547 -19.978 1.00 22.10 H new ATOM 0 HD2 HIS A 45 -0.082 -14.041 -17.592 1.00 13.23 H new ATOM 0 HE1 HIS A 45 -3.335 -16.449 -16.361 1.00 54.14 H new ATOM 0 HE2 HIS A 45 -1.697 -14.647 -15.651 1.00 53.34 H new ATOM 707 N CYS A 46 0.440 -13.893 -22.614 1.00 61.32 N ATOM 708 CA CYS A 46 1.170 -13.819 -23.887 1.00 62.21 C ATOM 709 C CYS A 46 1.901 -15.135 -24.177 1.00 42.11 C ATOM 710 O CYS A 46 1.567 -15.824 -25.150 1.00 55.22 O ATOM 711 CB CYS A 46 2.161 -12.639 -23.834 1.00 65.11 C ATOM 712 SG CYS A 46 3.072 -12.319 -25.383 1.00 71.52 S ATOM 0 H CYS A 46 0.777 -13.230 -21.915 1.00 61.32 H new ATOM 0 HA CYS A 46 0.460 -13.656 -24.698 1.00 62.21 H new ATOM 0 HB2 CYS A 46 1.613 -11.737 -23.561 1.00 65.11 H new ATOM 0 HB3 CYS A 46 2.883 -12.827 -23.039 1.00 65.11 H new ATOM 0 HG CYS A 46 4.009 -11.445 -25.163 1.00 71.52 H new ATOM 717 N ASN A 47 2.882 -15.471 -23.310 1.00 54.24 N ATOM 718 CA ASN A 47 3.663 -16.715 -23.393 1.00 62.12 C ATOM 719 C ASN A 47 4.657 -16.784 -22.212 1.00 13.01 C ATOM 720 O ASN A 47 4.590 -17.703 -21.385 1.00 45.21 O ATOM 721 CB ASN A 47 4.404 -16.837 -24.765 1.00 53.51 C ATOM 722 CG ASN A 47 5.386 -18.017 -24.849 1.00 72.04 C ATOM 723 OD1 ASN A 47 6.575 -17.860 -24.595 1.00 33.41 O ATOM 724 ND2 ASN A 47 4.895 -19.205 -25.177 1.00 40.45 N ATOM 0 H ASN A 47 3.153 -14.877 -22.527 1.00 54.24 H new ATOM 0 HA ASN A 47 2.978 -17.560 -23.327 1.00 62.12 H new ATOM 0 HB2 ASN A 47 3.663 -16.939 -25.558 1.00 53.51 H new ATOM 0 HB3 ASN A 47 4.948 -15.912 -24.955 1.00 53.51 H new ATOM 0 HD21 ASN A 47 5.511 -20.017 -25.223 1.00 40.45 H new ATOM 0 HD22 ASN A 47 3.901 -19.307 -25.383 1.00 40.45 H new ATOM 731 N GLN A 48 5.557 -15.785 -22.145 1.00 33.52 N ATOM 732 CA GLN A 48 6.652 -15.737 -21.148 1.00 60.33 C ATOM 733 C GLN A 48 6.980 -14.277 -20.758 1.00 44.10 C ATOM 734 O GLN A 48 7.498 -14.013 -19.670 1.00 30.34 O ATOM 735 CB GLN A 48 7.919 -16.454 -21.728 1.00 2.13 C ATOM 736 CG GLN A 48 9.161 -16.491 -20.794 1.00 4.42 C ATOM 737 CD GLN A 48 8.934 -17.250 -19.486 1.00 71.44 C ATOM 738 OE1 GLN A 48 9.137 -18.464 -19.402 1.00 23.32 O ATOM 739 NE2 GLN A 48 8.535 -16.532 -18.445 1.00 44.34 N ATOM 0 H GLN A 48 5.549 -14.986 -22.779 1.00 33.52 H new ATOM 0 HA GLN A 48 6.330 -16.256 -20.245 1.00 60.33 H new ATOM 0 HB2 GLN A 48 7.649 -17.479 -21.983 1.00 2.13 H new ATOM 0 HB3 GLN A 48 8.201 -15.958 -22.657 1.00 2.13 H new ATOM 0 HG2 GLN A 48 9.992 -16.951 -21.329 1.00 4.42 H new ATOM 0 HG3 GLN A 48 9.459 -15.468 -20.562 1.00 4.42 H new ATOM 0 HE21 GLN A 48 8.376 -15.530 -18.548 1.00 44.34 H new ATOM 0 HE22 GLN A 48 8.387 -16.982 -17.542 1.00 44.34 H new ATOM 748 N CYS A 49 6.643 -13.329 -21.655 1.00 22.21 N ATOM 749 CA CYS A 49 7.027 -11.904 -21.544 1.00 14.04 C ATOM 750 C CYS A 49 6.212 -11.112 -20.486 1.00 74.33 C ATOM 751 O CYS A 49 6.241 -9.876 -20.469 1.00 2.45 O ATOM 752 CB CYS A 49 6.905 -11.259 -22.939 1.00 52.04 C ATOM 753 SG CYS A 49 5.276 -11.466 -23.726 1.00 30.03 S ATOM 0 H CYS A 49 6.090 -13.532 -22.488 1.00 22.21 H new ATOM 0 HA CYS A 49 8.056 -11.863 -21.188 1.00 14.04 H new ATOM 0 HB2 CYS A 49 7.120 -10.194 -22.853 1.00 52.04 H new ATOM 0 HB3 CYS A 49 7.667 -11.687 -23.591 1.00 52.04 H new ATOM 0 HG CYS A 49 4.839 -10.310 -24.130 1.00 30.03 H new ATOM 758 N GLY A 50 5.464 -11.821 -19.617 1.00 2.32 N ATOM 759 CA GLY A 50 4.838 -11.216 -18.437 1.00 61.21 C ATOM 760 C GLY A 50 3.487 -10.561 -18.699 1.00 15.22 C ATOM 761 O GLY A 50 2.639 -10.506 -17.793 1.00 33.30 O ATOM 0 H GLY A 50 5.281 -12.820 -19.717 1.00 2.32 H new ATOM 0 HA2 GLY A 50 4.712 -11.985 -17.675 1.00 61.21 H new ATOM 0 HA3 GLY A 50 5.516 -10.468 -18.026 1.00 61.21 H new ATOM 765 N ALA A 51 3.276 -10.082 -19.935 1.00 72.34 N ATOM 766 CA ALA A 51 2.059 -9.367 -20.323 1.00 64.05 C ATOM 767 C ALA A 51 0.826 -10.289 -20.346 1.00 21.03 C ATOM 768 O ALA A 51 0.906 -11.455 -20.767 1.00 54.44 O ATOM 769 CB ALA A 51 2.275 -8.712 -21.688 1.00 74.42 C ATOM 0 H ALA A 51 3.950 -10.182 -20.694 1.00 72.34 H new ATOM 0 HA ALA A 51 1.859 -8.600 -19.575 1.00 64.05 H new ATOM 0 HB1 ALA A 51 1.372 -8.178 -21.982 1.00 74.42 H new ATOM 0 HB2 ALA A 51 3.108 -8.011 -21.628 1.00 74.42 H new ATOM 0 HB3 ALA A 51 2.500 -9.480 -22.428 1.00 74.42 H new ATOM 775 N SER A 52 -0.313 -9.738 -19.901 1.00 73.24 N ATOM 776 CA SER A 52 -1.600 -10.457 -19.854 1.00 33.43 C ATOM 777 C SER A 52 -2.757 -9.486 -20.144 1.00 55.25 C ATOM 778 O SER A 52 -2.850 -8.436 -19.501 1.00 14.12 O ATOM 779 CB SER A 52 -1.767 -11.127 -18.471 1.00 10.44 C ATOM 780 OG SER A 52 -1.650 -10.197 -17.393 1.00 20.22 O ATOM 0 H SER A 52 -0.370 -8.778 -19.562 1.00 73.24 H new ATOM 0 HA SER A 52 -1.614 -11.234 -20.618 1.00 33.43 H new ATOM 0 HB2 SER A 52 -2.741 -11.614 -18.422 1.00 10.44 H new ATOM 0 HB3 SER A 52 -1.015 -11.907 -18.356 1.00 10.44 H new ATOM 0 HG SER A 52 -1.862 -9.296 -17.714 1.00 20.22 H new ATOM 786 N PHE A 53 -3.624 -9.843 -21.107 1.00 1.22 N ATOM 787 CA PHE A 53 -4.710 -8.977 -21.580 1.00 3.14 C ATOM 788 C PHE A 53 -5.980 -9.816 -21.753 1.00 24.21 C ATOM 789 O PHE A 53 -5.949 -10.823 -22.459 1.00 13.11 O ATOM 790 CB PHE A 53 -4.335 -8.342 -22.949 1.00 64.32 C ATOM 791 CG PHE A 53 -2.946 -7.687 -23.003 1.00 11.02 C ATOM 792 CD1 PHE A 53 -2.731 -6.404 -22.506 1.00 54.11 C ATOM 793 CD2 PHE A 53 -1.863 -8.361 -23.566 1.00 52.04 C ATOM 794 CE1 PHE A 53 -1.481 -5.823 -22.572 1.00 64.04 C ATOM 795 CE2 PHE A 53 -0.619 -7.774 -23.632 1.00 63.33 C ATOM 796 CZ PHE A 53 -0.427 -6.505 -23.140 1.00 4.02 C ATOM 0 H PHE A 53 -3.588 -10.746 -21.580 1.00 1.22 H new ATOM 0 HA PHE A 53 -4.875 -8.184 -20.851 1.00 3.14 H new ATOM 0 HB2 PHE A 53 -4.386 -9.114 -23.717 1.00 64.32 H new ATOM 0 HB3 PHE A 53 -5.084 -7.591 -23.202 1.00 64.32 H new ATOM 0 HD1 PHE A 53 -3.551 -5.858 -22.064 1.00 54.11 H new ATOM 0 HD2 PHE A 53 -2.002 -9.358 -23.956 1.00 52.04 H new ATOM 0 HE1 PHE A 53 -1.328 -4.830 -22.177 1.00 64.04 H new ATOM 0 HE2 PHE A 53 0.208 -8.312 -24.071 1.00 63.33 H new ATOM 0 HZ PHE A 53 0.548 -6.044 -23.198 1.00 4.02 H new ATOM 806 N THR A 54 -7.094 -9.409 -21.117 1.00 2.50 N ATOM 807 CA THR A 54 -8.407 -10.042 -21.367 1.00 21.32 C ATOM 808 C THR A 54 -8.975 -9.553 -22.712 1.00 12.44 C ATOM 809 O THR A 54 -9.827 -10.215 -23.319 1.00 60.23 O ATOM 810 CB THR A 54 -9.429 -9.786 -20.199 1.00 41.11 C ATOM 811 OG1 THR A 54 -10.636 -10.564 -20.396 1.00 33.45 O ATOM 812 CG2 THR A 54 -9.797 -8.300 -20.051 1.00 73.11 C ATOM 0 H THR A 54 -7.115 -8.653 -20.433 1.00 2.50 H new ATOM 0 HA THR A 54 -8.252 -11.120 -21.412 1.00 21.32 H new ATOM 0 HB THR A 54 -8.933 -10.099 -19.280 1.00 41.11 H new ATOM 0 HG1 THR A 54 -11.398 -10.090 -20.002 1.00 33.45 H new ATOM 0 HG21 THR A 54 -10.505 -8.180 -19.231 1.00 73.11 H new ATOM 0 HG22 THR A 54 -8.897 -7.722 -19.841 1.00 73.11 H new ATOM 0 HG23 THR A 54 -10.250 -7.943 -20.976 1.00 73.11 H new ATOM 820 N GLN A 55 -8.478 -8.390 -23.166 1.00 20.12 N ATOM 821 CA GLN A 55 -8.835 -7.807 -24.456 1.00 21.32 C ATOM 822 C GLN A 55 -7.877 -8.329 -25.528 1.00 35.14 C ATOM 823 O GLN A 55 -6.673 -8.036 -25.487 1.00 24.51 O ATOM 824 CB GLN A 55 -8.766 -6.262 -24.379 1.00 33.20 C ATOM 825 CG GLN A 55 -9.665 -5.648 -23.285 1.00 22.25 C ATOM 826 CD GLN A 55 -11.159 -6.004 -23.435 1.00 61.23 C ATOM 827 OE1 GLN A 55 -11.677 -6.171 -24.543 1.00 64.11 O ATOM 828 NE2 GLN A 55 -11.860 -6.131 -22.320 1.00 70.35 N ATOM 0 H GLN A 55 -7.811 -7.828 -22.637 1.00 20.12 H new ATOM 0 HA GLN A 55 -9.854 -8.093 -24.715 1.00 21.32 H new ATOM 0 HB2 GLN A 55 -7.734 -5.963 -24.197 1.00 33.20 H new ATOM 0 HB3 GLN A 55 -9.052 -5.847 -25.345 1.00 33.20 H new ATOM 0 HG2 GLN A 55 -9.317 -5.986 -22.309 1.00 22.25 H new ATOM 0 HG3 GLN A 55 -9.556 -4.564 -23.304 1.00 22.25 H new ATOM 0 HE21 GLN A 55 -11.410 -5.988 -21.416 1.00 70.35 H new ATOM 0 HE22 GLN A 55 -12.850 -6.372 -22.365 1.00 70.35 H new ATOM 837 N LYS A 56 -8.419 -9.111 -26.472 1.00 52.34 N ATOM 838 CA LYS A 56 -7.651 -9.683 -27.595 1.00 25.12 C ATOM 839 C LYS A 56 -7.140 -8.582 -28.547 1.00 35.54 C ATOM 840 O LYS A 56 -6.209 -8.814 -29.307 1.00 51.25 O ATOM 841 CB LYS A 56 -8.509 -10.725 -28.357 1.00 24.24 C ATOM 842 CG LYS A 56 -9.783 -10.153 -29.000 1.00 33.23 C ATOM 843 CD LYS A 56 -10.617 -11.236 -29.709 1.00 72.24 C ATOM 844 CE LYS A 56 -11.832 -10.640 -30.434 1.00 11.21 C ATOM 845 NZ LYS A 56 -11.434 -9.682 -31.503 1.00 61.44 N ATOM 0 H LYS A 56 -9.406 -9.368 -26.481 1.00 52.34 H new ATOM 0 HA LYS A 56 -6.776 -10.188 -27.185 1.00 25.12 H new ATOM 0 HB2 LYS A 56 -7.897 -11.181 -29.135 1.00 24.24 H new ATOM 0 HB3 LYS A 56 -8.791 -11.520 -27.666 1.00 24.24 H new ATOM 0 HG2 LYS A 56 -10.391 -9.674 -28.233 1.00 33.23 H new ATOM 0 HG3 LYS A 56 -9.509 -9.380 -29.718 1.00 33.23 H new ATOM 0 HD2 LYS A 56 -9.990 -11.765 -30.426 1.00 72.24 H new ATOM 0 HD3 LYS A 56 -10.955 -11.971 -28.978 1.00 72.24 H new ATOM 0 HE2 LYS A 56 -12.423 -11.445 -30.871 1.00 11.21 H new ATOM 0 HE3 LYS A 56 -12.471 -10.131 -29.712 1.00 11.21 H new ATOM 0 HZ1 LYS A 56 -12.251 -9.487 -32.116 1.00 61.44 H new ATOM 0 HZ2 LYS A 56 -11.106 -8.795 -31.070 1.00 61.44 H new ATOM 0 HZ3 LYS A 56 -10.666 -10.094 -32.070 1.00 61.44 H new ATOM 859 N GLY A 57 -7.759 -7.383 -28.497 1.00 50.34 N ATOM 860 CA GLY A 57 -7.253 -6.216 -29.224 1.00 31.13 C ATOM 861 C GLY A 57 -5.853 -5.809 -28.750 1.00 1.02 C ATOM 862 O GLY A 57 -4.973 -5.497 -29.562 1.00 72.32 O ATOM 0 H GLY A 57 -8.608 -7.206 -27.960 1.00 50.34 H new ATOM 0 HA2 GLY A 57 -7.225 -6.437 -30.291 1.00 31.13 H new ATOM 0 HA3 GLY A 57 -7.939 -5.380 -29.090 1.00 31.13 H new ATOM 866 N ASN A 58 -5.658 -5.839 -27.418 1.00 34.41 N ATOM 867 CA ASN A 58 -4.362 -5.552 -26.778 1.00 4.42 C ATOM 868 C ASN A 58 -3.397 -6.747 -26.946 1.00 42.30 C ATOM 869 O ASN A 58 -2.205 -6.555 -27.212 1.00 24.34 O ATOM 870 CB ASN A 58 -4.547 -5.239 -25.265 1.00 23.21 C ATOM 871 CG ASN A 58 -5.378 -3.992 -24.954 1.00 2.35 C ATOM 872 OD1 ASN A 58 -6.299 -3.633 -25.684 1.00 34.03 O ATOM 873 ND2 ASN A 58 -5.051 -3.319 -23.859 1.00 72.54 N ATOM 0 H ASN A 58 -6.399 -6.064 -26.754 1.00 34.41 H new ATOM 0 HA ASN A 58 -3.935 -4.677 -27.268 1.00 4.42 H new ATOM 0 HB2 ASN A 58 -5.018 -6.098 -24.788 1.00 23.21 H new ATOM 0 HB3 ASN A 58 -3.563 -5.122 -24.812 1.00 23.21 H new ATOM 0 HD21 ASN A 58 -5.569 -2.479 -23.603 1.00 72.54 H new ATOM 0 HD22 ASN A 58 -4.281 -3.642 -23.273 1.00 72.54 H new ATOM 880 N LEU A 59 -3.945 -7.970 -26.784 1.00 22.45 N ATOM 881 CA LEU A 59 -3.165 -9.219 -26.843 1.00 11.43 C ATOM 882 C LEU A 59 -2.500 -9.400 -28.220 1.00 41.25 C ATOM 883 O LEU A 59 -1.282 -9.519 -28.296 1.00 12.03 O ATOM 884 CB LEU A 59 -4.075 -10.428 -26.528 1.00 62.55 C ATOM 885 CG LEU A 59 -3.355 -11.816 -26.486 1.00 35.34 C ATOM 886 CD1 LEU A 59 -2.459 -11.955 -25.234 1.00 41.20 C ATOM 887 CD2 LEU A 59 -4.365 -12.972 -26.585 1.00 24.11 C ATOM 0 H LEU A 59 -4.939 -8.116 -26.609 1.00 22.45 H new ATOM 0 HA LEU A 59 -2.375 -9.159 -26.094 1.00 11.43 H new ATOM 0 HB2 LEU A 59 -4.556 -10.258 -25.565 1.00 62.55 H new ATOM 0 HB3 LEU A 59 -4.866 -10.471 -27.277 1.00 62.55 H new ATOM 0 HG LEU A 59 -2.703 -11.872 -27.358 1.00 35.34 H new ATOM 0 HD11 LEU A 59 -1.975 -12.932 -25.239 1.00 41.20 H new ATOM 0 HD12 LEU A 59 -1.699 -11.174 -25.242 1.00 41.20 H new ATOM 0 HD13 LEU A 59 -3.070 -11.858 -24.337 1.00 41.20 H new ATOM 0 HD21 LEU A 59 -3.834 -13.923 -26.553 1.00 24.11 H new ATOM 0 HD22 LEU A 59 -5.063 -12.918 -25.749 1.00 24.11 H new ATOM 0 HD23 LEU A 59 -4.915 -12.895 -27.523 1.00 24.11 H new ATOM 899 N LEU A 60 -3.323 -9.366 -29.296 1.00 51.24 N ATOM 900 CA LEU A 60 -2.865 -9.584 -30.685 1.00 12.44 C ATOM 901 C LEU A 60 -1.811 -8.542 -31.104 1.00 14.11 C ATOM 902 O LEU A 60 -0.903 -8.860 -31.867 1.00 0.32 O ATOM 903 CB LEU A 60 -4.062 -9.563 -31.674 1.00 73.11 C ATOM 904 CG LEU A 60 -5.121 -10.701 -31.519 1.00 55.30 C ATOM 905 CD1 LEU A 60 -6.323 -10.462 -32.461 1.00 53.33 C ATOM 906 CD2 LEU A 60 -4.499 -12.092 -31.769 1.00 24.53 C ATOM 0 H LEU A 60 -4.324 -9.186 -29.222 1.00 51.24 H new ATOM 0 HA LEU A 60 -2.399 -10.569 -30.721 1.00 12.44 H new ATOM 0 HB2 LEU A 60 -4.573 -8.606 -31.569 1.00 73.11 H new ATOM 0 HB3 LEU A 60 -3.666 -9.603 -32.689 1.00 73.11 H new ATOM 0 HG LEU A 60 -5.479 -10.680 -30.490 1.00 55.30 H new ATOM 0 HD11 LEU A 60 -7.048 -11.266 -32.337 1.00 53.33 H new ATOM 0 HD12 LEU A 60 -6.793 -9.509 -32.217 1.00 53.33 H new ATOM 0 HD13 LEU A 60 -5.977 -10.442 -33.494 1.00 53.33 H new ATOM 0 HD21 LEU A 60 -5.265 -12.859 -31.653 1.00 24.53 H new ATOM 0 HD22 LEU A 60 -4.095 -12.133 -32.780 1.00 24.53 H new ATOM 0 HD23 LEU A 60 -3.698 -12.267 -31.051 1.00 24.53 H new ATOM 918 N ARG A 61 -1.957 -7.304 -30.593 1.00 55.15 N ATOM 919 CA ARG A 61 -1.015 -6.199 -30.862 1.00 34.41 C ATOM 920 C ARG A 61 0.364 -6.515 -30.237 1.00 54.05 C ATOM 921 O ARG A 61 1.387 -6.405 -30.908 1.00 70.35 O ATOM 922 CB ARG A 61 -1.617 -4.861 -30.319 1.00 71.41 C ATOM 923 CG ARG A 61 -0.844 -3.543 -30.659 1.00 30.33 C ATOM 924 CD ARG A 61 0.391 -3.266 -29.766 1.00 40.42 C ATOM 925 NE ARG A 61 0.041 -3.264 -28.333 1.00 71.45 N ATOM 926 CZ ARG A 61 0.911 -3.121 -27.321 1.00 71.52 C ATOM 927 NH1 ARG A 61 2.213 -2.968 -27.550 1.00 70.11 N ATOM 928 NH2 ARG A 61 0.464 -3.128 -26.077 1.00 74.14 N ATOM 0 H ARG A 61 -2.731 -7.042 -29.982 1.00 55.15 H new ATOM 0 HA ARG A 61 -0.864 -6.087 -31.936 1.00 34.41 H new ATOM 0 HB2 ARG A 61 -2.633 -4.766 -30.703 1.00 71.41 H new ATOM 0 HB3 ARG A 61 -1.692 -4.939 -29.234 1.00 71.41 H new ATOM 0 HG2 ARG A 61 -0.521 -3.586 -31.699 1.00 30.33 H new ATOM 0 HG3 ARG A 61 -1.532 -2.702 -30.574 1.00 30.33 H new ATOM 0 HD2 ARG A 61 1.152 -4.023 -29.953 1.00 40.42 H new ATOM 0 HD3 ARG A 61 0.826 -2.304 -30.035 1.00 40.42 H new ATOM 0 HE ARG A 61 -0.943 -3.381 -28.091 1.00 71.45 H new ATOM 0 HH11 ARG A 61 2.565 -2.958 -28.507 1.00 70.11 H new ATOM 0 HH12 ARG A 61 2.859 -2.861 -26.768 1.00 70.11 H new ATOM 0 HH21 ARG A 61 -0.533 -3.241 -25.894 1.00 74.14 H new ATOM 0 HH22 ARG A 61 1.116 -3.020 -25.300 1.00 74.14 H new ATOM 942 N HIS A 62 0.357 -6.921 -28.952 1.00 62.23 N ATOM 943 CA HIS A 62 1.589 -7.182 -28.191 1.00 34.31 C ATOM 944 C HIS A 62 2.334 -8.441 -28.696 1.00 44.33 C ATOM 945 O HIS A 62 3.544 -8.387 -28.913 1.00 23.33 O ATOM 946 CB HIS A 62 1.274 -7.301 -26.676 1.00 24.10 C ATOM 947 CG HIS A 62 2.388 -7.909 -25.866 1.00 13.20 C ATOM 948 ND1 HIS A 62 3.519 -7.245 -25.496 1.00 62.15 N ATOM 949 CD2 HIS A 62 2.548 -9.199 -25.446 1.00 3.12 C ATOM 950 CE1 HIS A 62 4.325 -8.107 -24.883 1.00 12.15 C ATOM 951 NE2 HIS A 62 3.773 -9.317 -24.828 1.00 51.25 N ATOM 0 H HIS A 62 -0.498 -7.076 -28.418 1.00 62.23 H new ATOM 0 HA HIS A 62 2.254 -6.333 -28.349 1.00 34.31 H new ATOM 0 HB2 HIS A 62 1.052 -6.309 -26.282 1.00 24.10 H new ATOM 0 HB3 HIS A 62 0.375 -7.904 -26.548 1.00 24.10 H new ATOM 0 HD1 HIS A 62 3.714 -6.257 -25.661 1.00 62.15 H new ATOM 0 HD2 HIS A 62 1.831 -9.996 -25.577 1.00 3.12 H new ATOM 0 HE1 HIS A 62 5.297 -7.859 -24.483 1.00 12.15 H new ATOM 959 N ILE A 63 1.610 -9.575 -28.815 1.00 64.32 N ATOM 960 CA ILE A 63 2.217 -10.868 -29.191 1.00 71.23 C ATOM 961 C ILE A 63 2.868 -10.765 -30.585 1.00 43.15 C ATOM 962 O ILE A 63 3.907 -11.376 -30.823 1.00 64.53 O ATOM 963 CB ILE A 63 1.188 -12.077 -29.154 1.00 22.42 C ATOM 964 CG1 ILE A 63 0.067 -11.913 -30.232 1.00 35.24 C ATOM 965 CG2 ILE A 63 0.562 -12.227 -27.750 1.00 55.52 C ATOM 966 CD1 ILE A 63 -0.960 -13.041 -30.296 1.00 65.51 C ATOM 0 H ILE A 63 0.604 -9.620 -28.656 1.00 64.32 H new ATOM 0 HA ILE A 63 2.979 -11.084 -28.442 1.00 71.23 H new ATOM 0 HB ILE A 63 1.747 -12.984 -29.386 1.00 22.42 H new ATOM 0 HG12 ILE A 63 -0.459 -10.977 -30.043 1.00 35.24 H new ATOM 0 HG13 ILE A 63 0.540 -11.821 -31.210 1.00 35.24 H new ATOM 0 HG21 ILE A 63 -0.139 -13.062 -27.751 1.00 55.52 H new ATOM 0 HG22 ILE A 63 1.349 -12.415 -27.019 1.00 55.52 H new ATOM 0 HG23 ILE A 63 0.034 -11.310 -27.487 1.00 55.52 H new ATOM 0 HD11 ILE A 63 -1.690 -12.825 -31.077 1.00 65.51 H new ATOM 0 HD12 ILE A 63 -0.455 -13.980 -30.521 1.00 65.51 H new ATOM 0 HD13 ILE A 63 -1.470 -13.124 -29.336 1.00 65.51 H new ATOM 978 N LYS A 64 2.249 -9.942 -31.453 1.00 32.33 N ATOM 979 CA LYS A 64 2.713 -9.647 -32.815 1.00 34.52 C ATOM 980 C LYS A 64 4.154 -9.099 -32.835 1.00 54.42 C ATOM 981 O LYS A 64 4.958 -9.496 -33.689 1.00 75.12 O ATOM 982 CB LYS A 64 1.755 -8.614 -33.432 1.00 33.42 C ATOM 983 CG LYS A 64 2.131 -8.115 -34.835 1.00 23.01 C ATOM 984 CD LYS A 64 1.310 -6.886 -35.276 1.00 32.51 C ATOM 985 CE LYS A 64 1.467 -5.676 -34.321 1.00 42.41 C ATOM 986 NZ LYS A 64 0.814 -4.455 -34.859 1.00 50.40 N ATOM 0 H LYS A 64 1.387 -9.451 -31.215 1.00 32.33 H new ATOM 0 HA LYS A 64 2.718 -10.573 -33.390 1.00 34.52 H new ATOM 0 HB2 LYS A 64 0.758 -9.051 -33.477 1.00 33.42 H new ATOM 0 HB3 LYS A 64 1.697 -7.755 -32.764 1.00 33.42 H new ATOM 0 HG2 LYS A 64 3.191 -7.863 -34.853 1.00 23.01 H new ATOM 0 HG3 LYS A 64 1.983 -8.921 -35.553 1.00 23.01 H new ATOM 0 HD2 LYS A 64 1.618 -6.592 -36.279 1.00 32.51 H new ATOM 0 HD3 LYS A 64 0.257 -7.162 -35.334 1.00 32.51 H new ATOM 0 HE2 LYS A 64 1.035 -5.921 -33.351 1.00 42.41 H new ATOM 0 HE3 LYS A 64 2.526 -5.478 -34.157 1.00 42.41 H new ATOM 0 HZ1 LYS A 64 0.472 -3.868 -34.071 1.00 50.40 H new ATOM 0 HZ2 LYS A 64 1.501 -3.913 -35.422 1.00 50.40 H new ATOM 0 HZ3 LYS A 64 0.011 -4.727 -35.461 1.00 50.40 H new ATOM 1000 N LEU A 65 4.456 -8.199 -31.875 1.00 24.13 N ATOM 1001 CA LEU A 65 5.756 -7.491 -31.795 1.00 32.41 C ATOM 1002 C LEU A 65 6.934 -8.483 -31.789 1.00 43.34 C ATOM 1003 O LEU A 65 7.893 -8.337 -32.546 1.00 72.23 O ATOM 1004 CB LEU A 65 5.814 -6.591 -30.525 1.00 63.33 C ATOM 1005 CG LEU A 65 4.610 -5.620 -30.325 1.00 53.21 C ATOM 1006 CD1 LEU A 65 4.791 -4.748 -29.070 1.00 34.43 C ATOM 1007 CD2 LEU A 65 4.389 -4.739 -31.563 1.00 43.43 C ATOM 0 H LEU A 65 3.806 -7.941 -31.132 1.00 24.13 H new ATOM 0 HA LEU A 65 5.843 -6.862 -32.681 1.00 32.41 H new ATOM 0 HB2 LEU A 65 5.886 -7.236 -29.649 1.00 63.33 H new ATOM 0 HB3 LEU A 65 6.730 -6.001 -30.562 1.00 63.33 H new ATOM 0 HG LEU A 65 3.722 -6.236 -30.183 1.00 53.21 H new ATOM 0 HD11 LEU A 65 3.934 -4.084 -28.962 1.00 34.43 H new ATOM 0 HD12 LEU A 65 4.868 -5.387 -28.191 1.00 34.43 H new ATOM 0 HD13 LEU A 65 5.700 -4.154 -29.167 1.00 34.43 H new ATOM 0 HD21 LEU A 65 3.543 -4.074 -31.390 1.00 43.43 H new ATOM 0 HD22 LEU A 65 5.284 -4.146 -31.752 1.00 43.43 H new ATOM 0 HD23 LEU A 65 4.184 -5.371 -32.427 1.00 43.43 H new ATOM 1019 N HIS A 66 6.809 -9.514 -30.948 1.00 43.24 N ATOM 1020 CA HIS A 66 7.850 -10.540 -30.745 1.00 13.53 C ATOM 1021 C HIS A 66 7.470 -11.889 -31.384 1.00 71.12 C ATOM 1022 O HIS A 66 8.204 -12.885 -31.217 1.00 5.22 O ATOM 1023 CB HIS A 66 8.130 -10.699 -29.222 1.00 44.13 C ATOM 1024 CG HIS A 66 6.960 -11.173 -28.389 1.00 44.45 C ATOM 1025 ND1 HIS A 66 6.827 -12.462 -27.941 1.00 35.34 N ATOM 1026 CD2 HIS A 66 5.897 -10.486 -27.874 1.00 10.14 C ATOM 1027 CE1 HIS A 66 5.738 -12.530 -27.179 1.00 54.31 C ATOM 1028 NE2 HIS A 66 5.128 -11.356 -27.110 1.00 0.22 N ATOM 0 H HIS A 66 5.975 -9.666 -30.380 1.00 43.24 H new ATOM 0 HA HIS A 66 8.759 -10.207 -31.246 1.00 13.53 H new ATOM 0 HB2 HIS A 66 8.953 -11.402 -29.093 1.00 44.13 H new ATOM 0 HB3 HIS A 66 8.467 -9.739 -28.830 1.00 44.13 H new ATOM 0 HD1 HIS A 66 7.455 -13.236 -28.155 1.00 35.34 H new ATOM 0 HD2 HIS A 66 5.688 -9.439 -28.034 1.00 10.14 H new ATOM 0 HE1 HIS A 66 5.396 -13.426 -26.682 1.00 54.31 H new ATOM 1036 N SER A 67 6.333 -11.915 -32.117 1.00 70.02 N ATOM 1037 CA SER A 67 5.881 -13.112 -32.858 1.00 71.43 C ATOM 1038 C SER A 67 6.913 -13.519 -33.928 1.00 64.12 C ATOM 1039 O SER A 67 7.104 -14.714 -34.202 1.00 73.50 O ATOM 1040 CB SER A 67 4.505 -12.847 -33.519 1.00 65.42 C ATOM 1041 OG SER A 67 4.050 -13.945 -34.293 1.00 55.10 O ATOM 0 H SER A 67 5.709 -11.114 -32.210 1.00 70.02 H new ATOM 0 HA SER A 67 5.781 -13.933 -32.148 1.00 71.43 H new ATOM 0 HB2 SER A 67 3.771 -12.625 -32.744 1.00 65.42 H new ATOM 0 HB3 SER A 67 4.575 -11.964 -34.154 1.00 65.42 H new ATOM 0 HG SER A 67 3.104 -14.113 -34.098 1.00 55.10 H new ATOM 1047 N GLY A 68 7.567 -12.514 -34.519 1.00 53.01 N ATOM 1048 CA GLY A 68 8.634 -12.749 -35.481 1.00 64.41 C ATOM 1049 C GLY A 68 9.076 -11.467 -36.147 1.00 71.32 C ATOM 1050 O GLY A 68 9.247 -11.432 -37.374 1.00 1.54 O ATOM 0 H GLY A 68 7.371 -11.529 -34.343 1.00 53.01 H new ATOM 0 HA2 GLY A 68 9.484 -13.209 -34.977 1.00 64.41 H new ATOM 0 HA3 GLY A 68 8.292 -13.454 -36.239 1.00 64.41 H new ATOM 1054 N GLU A 69 9.260 -10.407 -35.319 1.00 21.30 N ATOM 1055 CA GLU A 69 9.640 -9.055 -35.784 1.00 31.34 C ATOM 1056 C GLU A 69 8.588 -8.509 -36.784 1.00 41.13 C ATOM 1057 O GLU A 69 8.737 -8.658 -38.003 1.00 14.20 O ATOM 1058 CB GLU A 69 11.065 -9.058 -36.407 1.00 71.21 C ATOM 1059 CG GLU A 69 11.611 -7.671 -36.847 1.00 11.34 C ATOM 1060 CD GLU A 69 12.745 -7.768 -37.879 1.00 53.43 C ATOM 1061 OE1 GLU A 69 13.875 -8.123 -37.498 1.00 61.03 O ATOM 1062 OE2 GLU A 69 12.502 -7.529 -39.079 1.00 34.12 O ATOM 0 H GLU A 69 9.148 -10.470 -34.307 1.00 21.30 H new ATOM 0 HA GLU A 69 9.662 -8.390 -34.921 1.00 31.34 H new ATOM 0 HB2 GLU A 69 11.757 -9.487 -35.683 1.00 71.21 H new ATOM 0 HB3 GLU A 69 11.061 -9.718 -37.274 1.00 71.21 H new ATOM 0 HG2 GLU A 69 10.795 -7.083 -37.267 1.00 11.34 H new ATOM 0 HG3 GLU A 69 11.972 -7.134 -35.969 1.00 11.34 H new ATOM 1069 N LYS A 70 7.504 -7.933 -36.249 1.00 2.35 N ATOM 1070 CA LYS A 70 6.374 -7.421 -37.049 1.00 71.53 C ATOM 1071 C LYS A 70 6.153 -5.921 -36.779 1.00 62.05 C ATOM 1072 O LYS A 70 6.614 -5.418 -35.742 1.00 4.11 O ATOM 1073 CB LYS A 70 5.108 -8.251 -36.718 1.00 51.32 C ATOM 1074 CG LYS A 70 5.206 -9.740 -37.126 1.00 0.01 C ATOM 1075 CD LYS A 70 3.941 -10.548 -36.758 1.00 60.32 C ATOM 1076 CE LYS A 70 4.043 -12.035 -37.136 1.00 21.30 C ATOM 1077 NZ LYS A 70 2.825 -12.803 -36.744 1.00 55.31 N ATOM 0 H LYS A 70 7.381 -7.806 -35.244 1.00 2.35 H new ATOM 0 HA LYS A 70 6.596 -7.525 -38.111 1.00 71.53 H new ATOM 0 HB2 LYS A 70 4.917 -8.191 -35.647 1.00 51.32 H new ATOM 0 HB3 LYS A 70 4.251 -7.803 -37.221 1.00 51.32 H new ATOM 0 HG2 LYS A 70 5.374 -9.807 -38.201 1.00 0.01 H new ATOM 0 HG3 LYS A 70 6.072 -10.189 -36.640 1.00 0.01 H new ATOM 0 HD2 LYS A 70 3.762 -10.463 -35.686 1.00 60.32 H new ATOM 0 HD3 LYS A 70 3.079 -10.110 -37.260 1.00 60.32 H new ATOM 0 HE2 LYS A 70 4.196 -12.125 -38.211 1.00 21.30 H new ATOM 0 HE3 LYS A 70 4.917 -12.472 -36.652 1.00 21.30 H new ATOM 0 HZ1 LYS A 70 2.587 -13.483 -37.494 1.00 55.31 H new ATOM 0 HZ2 LYS A 70 3.008 -13.315 -35.857 1.00 55.31 H new ATOM 0 HZ3 LYS A 70 2.030 -12.147 -36.607 1.00 55.31 H new ATOM 1091 N PRO A 71 5.466 -5.178 -37.732 1.00 43.35 N ATOM 1092 CA PRO A 71 5.174 -3.723 -37.590 1.00 41.34 C ATOM 1093 C PRO A 71 4.516 -3.377 -36.239 1.00 60.15 C ATOM 1094 O PRO A 71 3.430 -3.882 -35.932 1.00 51.20 O ATOM 1095 CB PRO A 71 4.232 -3.413 -38.801 1.00 55.43 C ATOM 1096 CG PRO A 71 3.807 -4.758 -39.325 1.00 70.31 C ATOM 1097 CD PRO A 71 4.958 -5.686 -39.043 1.00 1.24 C ATOM 0 HA PRO A 71 6.082 -3.120 -37.598 1.00 41.34 H new ATOM 0 HB2 PRO A 71 3.371 -2.822 -38.489 1.00 55.43 H new ATOM 0 HB3 PRO A 71 4.752 -2.838 -39.567 1.00 55.43 H new ATOM 0 HG2 PRO A 71 2.897 -5.101 -38.832 1.00 70.31 H new ATOM 0 HG3 PRO A 71 3.593 -4.713 -40.393 1.00 70.31 H new ATOM 0 HD2 PRO A 71 4.636 -6.725 -38.979 1.00 1.24 H new ATOM 0 HD3 PRO A 71 5.720 -5.636 -39.821 1.00 1.24 H new ATOM 1105 N PHE A 72 5.212 -2.513 -35.467 1.00 64.25 N ATOM 1106 CA PHE A 72 4.877 -2.158 -34.077 1.00 34.43 C ATOM 1107 C PHE A 72 3.396 -1.767 -33.903 1.00 74.02 C ATOM 1108 O PHE A 72 2.666 -2.422 -33.140 1.00 33.42 O ATOM 1109 CB PHE A 72 5.844 -1.029 -33.621 1.00 73.44 C ATOM 1110 CG PHE A 72 5.596 -0.481 -32.226 1.00 32.30 C ATOM 1111 CD1 PHE A 72 6.028 -1.180 -31.097 1.00 14.35 C ATOM 1112 CD2 PHE A 72 4.943 0.736 -32.047 1.00 61.02 C ATOM 1113 CE1 PHE A 72 5.813 -0.674 -29.830 1.00 34.31 C ATOM 1114 CE2 PHE A 72 4.732 1.242 -30.783 1.00 5.53 C ATOM 1115 CZ PHE A 72 5.168 0.540 -29.674 1.00 65.21 C ATOM 0 H PHE A 72 6.045 -2.032 -35.807 1.00 64.25 H new ATOM 0 HA PHE A 72 5.009 -3.033 -33.441 1.00 34.43 H new ATOM 0 HB2 PHE A 72 6.865 -1.408 -33.668 1.00 73.44 H new ATOM 0 HB3 PHE A 72 5.776 -0.207 -34.333 1.00 73.44 H new ATOM 0 HD1 PHE A 72 6.535 -2.126 -31.216 1.00 14.35 H new ATOM 0 HD2 PHE A 72 4.598 1.289 -32.908 1.00 61.02 H new ATOM 0 HE1 PHE A 72 6.148 -1.225 -28.963 1.00 34.31 H new ATOM 0 HE2 PHE A 72 4.226 2.188 -30.658 1.00 5.53 H new ATOM 0 HZ PHE A 72 5.005 0.940 -28.684 1.00 65.21 H new ATOM 1125 N LYS A 73 2.974 -0.711 -34.619 1.00 4.13 N ATOM 1126 CA LYS A 73 1.571 -0.249 -34.628 1.00 2.14 C ATOM 1127 C LYS A 73 0.578 -1.390 -35.021 1.00 44.14 C ATOM 1128 O LYS A 73 0.690 -1.953 -36.128 1.00 42.22 O ATOM 1129 CB LYS A 73 1.381 1.017 -35.513 1.00 14.20 C ATOM 1130 CG LYS A 73 1.744 0.890 -37.020 1.00 55.01 C ATOM 1131 CD LYS A 73 3.273 0.851 -37.278 1.00 53.10 C ATOM 1132 CE LYS A 73 3.613 0.753 -38.763 1.00 20.15 C ATOM 1133 NZ LYS A 73 5.079 0.737 -38.999 1.00 62.40 N ATOM 1134 OXT LYS A 73 -0.257 -1.786 -34.175 1.00 37.29 O ATOM 0 H LYS A 73 3.593 -0.153 -35.207 1.00 4.13 H new ATOM 0 HA LYS A 73 1.329 0.039 -33.605 1.00 2.14 H new ATOM 0 HB2 LYS A 73 0.338 1.326 -35.441 1.00 14.20 H new ATOM 0 HB3 LYS A 73 1.982 1.821 -35.087 1.00 14.20 H new ATOM 0 HG2 LYS A 73 1.291 -0.017 -37.421 1.00 55.01 H new ATOM 0 HG3 LYS A 73 1.311 1.730 -37.564 1.00 55.01 H new ATOM 0 HD2 LYS A 73 3.731 1.748 -36.862 1.00 53.10 H new ATOM 0 HD3 LYS A 73 3.705 -0.001 -36.753 1.00 53.10 H new ATOM 0 HE2 LYS A 73 3.169 -0.152 -39.177 1.00 20.15 H new ATOM 0 HE3 LYS A 73 3.170 1.596 -39.293 1.00 20.15 H new ATOM 0 HZ1 LYS A 73 5.266 0.670 -40.020 1.00 62.40 H new ATOM 0 HZ2 LYS A 73 5.500 1.612 -38.627 1.00 62.40 H new ATOM 0 HZ3 LYS A 73 5.500 -0.082 -38.515 1.00 62.40 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 4.426 -11.026 -25.367 1.00 30.53 ZN