USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 25 SER OG : rot -56:sc= 1.09 USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.047 (180deg=0) USER MOD Single : A 5 SER OG : rot -18:sc= 1.18 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.2!) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0238 F(o=-1,f=-0.024) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0296 F(o=-0.99,f=-0.03) USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= 2.34 (180deg=0.669) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.633 F(o=-1.7,f=-0.63) USER MOD Single : A 37 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.14) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.001 USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= -0.0266 (180deg=-0.168) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.063) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.066 USER MOD Single : A 54 ASN : amide:sc= -0.66 K(o=-0.66,f=-3.5!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.276 F(o=-1.5,f=-0.28) USER MOD Single : A 57 GLN :FLIP amide:sc=-0.00188 F(o=-1.2!,f=-0.0019) USER MOD Single : A 65 HIS : no HD1:sc= -0.0483 X(o=-0.048,f=-0.01) USER MOD Single : A 66 THR OG1 : rot 16:sc= 0.469 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.328 F(o=-1.3,f=-0.33) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= -0.122 (180deg=-0.676) USER MOD Single : A 74 GLN : amide:sc= -0.641 X(o=-0.64,f=-0.29) USER MOD Single : A 76 SER OG : rot 47:sc= 0.307 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.72) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HE2:sc= 0.0326 F(o=-0.49,f=0.033) USER MOD Single : A 90 SER OG : rot 44:sc= 0.217 USER MOD Single : A 92 LYS NZ :NH3+ 154:sc= 0.193 (180deg=-0.649) USER MOD Single : A 96 SER OG : rot 180:sc= 0.24 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= -0.0185 (180deg=-0.144) USER MOD Single : A 104 SER OG : rot 87:sc= 1.34 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -72.771 -20.989 -5.243 1.00 39.32 N ATOM 2 CA GLY A 1 -74.084 -20.886 -4.563 1.00 39.39 C ATOM 3 C GLY A 1 -74.327 -19.487 -4.042 1.00 39.02 C ATOM 4 O GLY A 1 -73.823 -18.517 -4.615 1.00 38.60 O ATOM 0 H1 GLY A 1 -72.858 -21.609 -6.073 1.00 39.32 H new ATOM 0 H2 GLY A 1 -72.463 -20.044 -5.548 1.00 39.32 H new ATOM 0 H3 GLY A 1 -72.070 -21.386 -4.586 1.00 39.32 H new ATOM 0 HA2 GLY A 1 -74.878 -21.160 -5.258 1.00 39.39 H new ATOM 0 HA3 GLY A 1 -74.124 -21.596 -3.737 1.00 39.39 H new ATOM 10 N PRO A 2 -75.099 -19.343 -2.956 1.00 39.23 N ATOM 11 CA PRO A 2 -75.349 -18.041 -2.332 1.00 38.99 C ATOM 12 C PRO A 2 -74.069 -17.458 -1.732 1.00 38.70 C ATOM 13 O PRO A 2 -73.183 -18.202 -1.324 1.00 39.16 O ATOM 14 CB PRO A 2 -76.363 -18.352 -1.224 1.00 39.44 C ATOM 15 CG PRO A 2 -76.895 -19.708 -1.537 1.00 39.88 C ATOM 16 CD PRO A 2 -75.787 -20.431 -2.244 1.00 39.77 C ATOM 0 HA PRO A 2 -75.709 -17.303 -3.048 1.00 38.99 H new ATOM 0 HB2 PRO A 2 -75.889 -18.334 -0.243 1.00 39.44 H new ATOM 0 HB3 PRO A 2 -77.163 -17.612 -1.206 1.00 39.44 H new ATOM 0 HG2 PRO A 2 -77.186 -20.233 -0.627 1.00 39.88 H new ATOM 0 HG3 PRO A 2 -77.783 -19.644 -2.166 1.00 39.88 H new ATOM 0 HD2 PRO A 2 -75.124 -20.941 -1.545 1.00 39.77 H new ATOM 0 HD3 PRO A 2 -76.169 -21.187 -2.930 1.00 39.77 H new ATOM 24 N LEU A 3 -73.984 -16.126 -1.706 1.00 37.99 N ATOM 25 CA LEU A 3 -72.814 -15.405 -1.176 1.00 37.71 C ATOM 26 C LEU A 3 -71.593 -15.571 -2.089 1.00 36.95 C ATOM 27 O LEU A 3 -70.498 -15.112 -1.767 1.00 36.88 O ATOM 28 CB LEU A 3 -72.461 -15.845 0.259 1.00 37.68 C ATOM 29 CG LEU A 3 -73.392 -15.334 1.369 1.00 38.25 C ATOM 30 CD1 LEU A 3 -74.757 -16.004 1.298 1.00 38.55 C ATOM 31 CD2 LEU A 3 -72.757 -15.557 2.739 1.00 38.67 C ATOM 0 H LEU A 3 -74.722 -15.512 -2.051 1.00 37.99 H new ATOM 0 HA LEU A 3 -73.090 -14.351 -1.147 1.00 37.71 H new ATOM 0 HB2 LEU A 3 -72.453 -16.934 0.292 1.00 37.68 H new ATOM 0 HB3 LEU A 3 -71.447 -15.512 0.481 1.00 37.68 H new ATOM 0 HG LEU A 3 -73.538 -14.264 1.220 1.00 38.25 H new ATOM 0 HD11 LEU A 3 -75.392 -15.621 2.097 1.00 38.55 H new ATOM 0 HD12 LEU A 3 -75.218 -15.790 0.334 1.00 38.55 H new ATOM 0 HD13 LEU A 3 -74.640 -17.082 1.413 1.00 38.55 H new ATOM 0 HD21 LEU A 3 -73.428 -15.190 3.515 1.00 38.67 H new ATOM 0 HD22 LEU A 3 -72.578 -16.622 2.888 1.00 38.67 H new ATOM 0 HD23 LEU A 3 -71.811 -15.019 2.793 1.00 38.67 H new ATOM 43 N GLY A 4 -71.791 -16.222 -3.226 1.00 36.42 N ATOM 44 CA GLY A 4 -70.717 -16.416 -4.174 1.00 35.70 C ATOM 45 C GLY A 4 -71.241 -16.810 -5.535 1.00 35.18 C ATOM 46 O GLY A 4 -70.788 -17.786 -6.135 1.00 34.80 O ATOM 0 H GLY A 4 -72.686 -16.622 -3.509 1.00 36.42 H new ATOM 0 HA2 GLY A 4 -70.136 -15.498 -4.259 1.00 35.70 H new ATOM 0 HA3 GLY A 4 -70.041 -17.188 -3.806 1.00 35.70 H new ATOM 50 N SER A 5 -72.213 -16.052 -6.018 1.00 35.22 N ATOM 51 CA SER A 5 -72.853 -16.356 -7.285 1.00 34.83 C ATOM 52 C SER A 5 -72.163 -15.614 -8.426 1.00 34.57 C ATOM 53 O SER A 5 -71.652 -16.234 -9.362 1.00 34.37 O ATOM 54 CB SER A 5 -74.336 -15.983 -7.229 1.00 34.91 C ATOM 55 OG SER A 5 -74.957 -16.539 -6.081 1.00 35.05 O ATOM 0 H SER A 5 -72.575 -15.221 -5.550 1.00 35.22 H new ATOM 0 HA SER A 5 -72.766 -17.427 -7.469 1.00 34.83 H new ATOM 0 HB2 SER A 5 -74.442 -14.898 -7.215 1.00 34.91 H new ATOM 0 HB3 SER A 5 -74.839 -16.340 -8.128 1.00 34.91 H new ATOM 0 HG SER A 5 -74.405 -17.269 -5.731 1.00 35.05 H new ATOM 61 N THR A 6 -72.136 -14.294 -8.326 1.00 34.64 N ATOM 62 CA THR A 6 -71.574 -13.450 -9.366 1.00 34.51 C ATOM 63 C THR A 6 -70.172 -12.983 -8.998 1.00 33.81 C ATOM 64 O THR A 6 -69.263 -13.000 -9.828 1.00 33.44 O ATOM 65 CB THR A 6 -72.473 -12.225 -9.620 1.00 34.85 C ATOM 66 OG1 THR A 6 -72.911 -11.673 -8.366 1.00 35.00 O ATOM 67 CG2 THR A 6 -73.675 -12.613 -10.478 1.00 35.32 C ATOM 0 H THR A 6 -72.502 -13.780 -7.524 1.00 34.64 H new ATOM 0 HA THR A 6 -71.517 -14.048 -10.276 1.00 34.51 H new ATOM 0 HB THR A 6 -71.898 -11.471 -10.158 1.00 34.85 H new ATOM 0 HG1 THR A 6 -73.481 -10.893 -8.533 1.00 35.00 H new ATOM 0 HG21 THR A 6 -74.299 -11.736 -10.648 1.00 35.32 H new ATOM 0 HG22 THR A 6 -73.328 -13.002 -11.435 1.00 35.32 H new ATOM 0 HG23 THR A 6 -74.257 -13.378 -9.964 1.00 35.32 H new ATOM 75 N SER A 7 -69.994 -12.577 -7.750 1.00 33.71 N ATOM 76 CA SER A 7 -68.700 -12.103 -7.290 1.00 33.13 C ATOM 77 C SER A 7 -67.796 -13.272 -6.925 1.00 32.43 C ATOM 78 O SER A 7 -67.850 -13.794 -5.814 1.00 32.42 O ATOM 79 CB SER A 7 -68.873 -11.175 -6.092 1.00 33.49 C ATOM 80 OG SER A 7 -69.715 -10.084 -6.422 1.00 33.98 O ATOM 0 H SER A 7 -70.727 -12.567 -7.041 1.00 33.71 H new ATOM 0 HA SER A 7 -68.230 -11.547 -8.101 1.00 33.13 H new ATOM 0 HB2 SER A 7 -69.298 -11.729 -5.255 1.00 33.49 H new ATOM 0 HB3 SER A 7 -67.900 -10.805 -5.768 1.00 33.49 H new ATOM 0 HG SER A 7 -69.816 -9.501 -5.641 1.00 33.98 H new ATOM 86 N LEU A 8 -66.986 -13.700 -7.880 1.00 31.93 N ATOM 87 CA LEU A 8 -66.074 -14.809 -7.658 1.00 31.32 C ATOM 88 C LEU A 8 -64.635 -14.330 -7.594 1.00 30.56 C ATOM 89 O LEU A 8 -64.058 -13.921 -8.602 1.00 30.33 O ATOM 90 CB LEU A 8 -66.234 -15.864 -8.753 1.00 31.31 C ATOM 91 CG LEU A 8 -67.547 -16.640 -8.698 1.00 32.11 C ATOM 92 CD1 LEU A 8 -67.681 -17.533 -9.919 1.00 32.24 C ATOM 93 CD2 LEU A 8 -67.602 -17.466 -7.422 1.00 32.31 C ATOM 0 H LEU A 8 -66.942 -13.296 -8.816 1.00 31.93 H new ATOM 0 HA LEU A 8 -66.324 -15.260 -6.698 1.00 31.32 H new ATOM 0 HB2 LEU A 8 -66.156 -15.376 -9.724 1.00 31.31 H new ATOM 0 HB3 LEU A 8 -65.406 -16.570 -8.683 1.00 31.31 H new ATOM 0 HG LEU A 8 -68.379 -15.936 -8.697 1.00 32.11 H new ATOM 0 HD11 LEU A 8 -68.622 -18.081 -9.867 1.00 32.24 H new ATOM 0 HD12 LEU A 8 -67.667 -16.921 -10.821 1.00 32.24 H new ATOM 0 HD13 LEU A 8 -66.851 -18.239 -9.946 1.00 32.24 H new ATOM 0 HD21 LEU A 8 -68.541 -18.019 -7.386 1.00 32.31 H new ATOM 0 HD22 LEU A 8 -66.768 -18.167 -7.406 1.00 32.31 H new ATOM 0 HD23 LEU A 8 -67.537 -16.805 -6.558 1.00 32.31 H new ATOM 105 N VAL A 9 -64.066 -14.368 -6.400 1.00 30.24 N ATOM 106 CA VAL A 9 -62.679 -13.978 -6.208 1.00 29.57 C ATOM 107 C VAL A 9 -61.770 -15.203 -6.082 1.00 29.50 C ATOM 108 O VAL A 9 -61.908 -16.014 -5.158 1.00 29.74 O ATOM 109 CB VAL A 9 -62.504 -13.050 -4.986 1.00 29.39 C ATOM 110 CG1 VAL A 9 -63.080 -11.671 -5.282 1.00 28.95 C ATOM 111 CG2 VAL A 9 -63.148 -13.645 -3.740 1.00 29.66 C ATOM 0 H VAL A 9 -64.544 -14.665 -5.549 1.00 30.24 H new ATOM 0 HA VAL A 9 -62.383 -13.418 -7.095 1.00 29.57 H new ATOM 0 HB VAL A 9 -61.436 -12.949 -4.790 1.00 29.39 H new ATOM 0 HG11 VAL A 9 -62.950 -11.028 -4.412 1.00 28.95 H new ATOM 0 HG12 VAL A 9 -62.561 -11.236 -6.136 1.00 28.95 H new ATOM 0 HG13 VAL A 9 -64.142 -11.762 -5.510 1.00 28.95 H new ATOM 0 HG21 VAL A 9 -63.007 -12.967 -2.898 1.00 29.66 H new ATOM 0 HG22 VAL A 9 -64.214 -13.789 -3.915 1.00 29.66 H new ATOM 0 HG23 VAL A 9 -62.684 -14.605 -3.514 1.00 29.66 H new ATOM 121 N GLN A 10 -60.870 -15.348 -7.036 1.00 29.28 N ATOM 122 CA GLN A 10 -59.908 -16.436 -7.028 1.00 29.30 C ATOM 123 C GLN A 10 -58.510 -15.885 -6.754 1.00 28.60 C ATOM 124 O GLN A 10 -57.762 -15.572 -7.680 1.00 28.70 O ATOM 125 CB GLN A 10 -59.942 -17.184 -8.362 1.00 29.33 C ATOM 126 CG GLN A 10 -59.118 -18.459 -8.379 1.00 29.73 C ATOM 127 CD GLN A 10 -59.083 -19.109 -9.750 1.00 30.01 C ATOM 128 OE1 GLN A 10 -60.025 -18.992 -10.538 1.00 30.47 O ATOM 129 NE2 GLN A 10 -57.991 -19.794 -10.045 1.00 29.80 N ATOM 0 H GLN A 10 -60.784 -14.719 -7.835 1.00 29.28 H new ATOM 0 HA GLN A 10 -60.169 -17.139 -6.237 1.00 29.30 H new ATOM 0 HB2 GLN A 10 -60.976 -17.429 -8.602 1.00 29.33 H new ATOM 0 HB3 GLN A 10 -59.581 -16.520 -9.148 1.00 29.33 H new ATOM 0 HG2 GLN A 10 -58.100 -18.234 -8.061 1.00 29.73 H new ATOM 0 HG3 GLN A 10 -59.530 -19.164 -7.657 1.00 29.73 H new ATOM 0 HE21 GLN A 10 -57.235 -19.866 -9.364 1.00 29.80 H new ATOM 0 HE22 GLN A 10 -57.905 -20.250 -10.953 1.00 29.80 H new ATOM 138 N GLY A 11 -58.177 -15.741 -5.476 1.00 27.99 N ATOM 139 CA GLY A 11 -56.896 -15.178 -5.101 1.00 27.37 C ATOM 140 C GLY A 11 -56.058 -16.141 -4.287 1.00 27.00 C ATOM 141 O GLY A 11 -55.972 -16.019 -3.064 1.00 26.96 O ATOM 0 H GLY A 11 -58.774 -16.005 -4.692 1.00 27.99 H new ATOM 0 HA2 GLY A 11 -56.349 -14.896 -6.001 1.00 27.37 H new ATOM 0 HA3 GLY A 11 -57.057 -14.266 -4.526 1.00 27.37 H new ATOM 145 N LEU A 12 -55.451 -17.107 -4.968 1.00 26.82 N ATOM 146 CA LEU A 12 -54.599 -18.096 -4.311 1.00 26.55 C ATOM 147 C LEU A 12 -53.671 -18.733 -5.340 1.00 25.80 C ATOM 148 O LEU A 12 -53.060 -19.770 -5.097 1.00 25.54 O ATOM 149 CB LEU A 12 -55.440 -19.183 -3.616 1.00 27.23 C ATOM 150 CG LEU A 12 -56.083 -20.229 -4.539 1.00 28.12 C ATOM 151 CD1 LEU A 12 -56.630 -21.383 -3.719 1.00 28.61 C ATOM 152 CD2 LEU A 12 -57.194 -19.617 -5.380 1.00 28.64 C ATOM 0 H LEU A 12 -55.533 -17.228 -5.978 1.00 26.82 H new ATOM 0 HA LEU A 12 -54.009 -17.589 -3.548 1.00 26.55 H new ATOM 0 HB2 LEU A 12 -54.805 -19.702 -2.898 1.00 27.23 H new ATOM 0 HB3 LEU A 12 -56.231 -18.694 -3.047 1.00 27.23 H new ATOM 0 HG LEU A 12 -55.312 -20.599 -5.215 1.00 28.12 H new ATOM 0 HD11 LEU A 12 -57.084 -22.119 -4.383 1.00 28.61 H new ATOM 0 HD12 LEU A 12 -55.818 -21.850 -3.161 1.00 28.61 H new ATOM 0 HD13 LEU A 12 -57.382 -21.011 -3.023 1.00 28.61 H new ATOM 0 HD21 LEU A 12 -57.628 -20.383 -6.022 1.00 28.64 H new ATOM 0 HD22 LEU A 12 -57.965 -19.212 -4.725 1.00 28.64 H new ATOM 0 HD23 LEU A 12 -56.785 -18.816 -5.996 1.00 28.64 H new ATOM 164 N THR A 13 -53.568 -18.089 -6.491 1.00 25.53 N ATOM 165 CA THR A 13 -52.791 -18.615 -7.595 1.00 24.91 C ATOM 166 C THR A 13 -51.293 -18.521 -7.294 1.00 24.79 C ATOM 167 O THR A 13 -50.777 -17.446 -7.015 1.00 24.22 O ATOM 168 CB THR A 13 -53.146 -17.854 -8.884 1.00 24.58 C ATOM 169 OG1 THR A 13 -54.573 -17.748 -8.983 1.00 24.93 O ATOM 170 CG2 THR A 13 -52.611 -18.566 -10.117 1.00 24.35 C ATOM 0 H THR A 13 -54.018 -17.194 -6.683 1.00 25.53 H new ATOM 0 HA THR A 13 -53.033 -19.669 -7.733 1.00 24.91 H new ATOM 0 HB THR A 13 -52.688 -16.866 -8.838 1.00 24.58 H new ATOM 0 HG1 THR A 13 -54.809 -17.263 -9.801 1.00 24.93 H new ATOM 0 HG21 THR A 13 -52.880 -18.001 -11.009 1.00 24.35 H new ATOM 0 HG22 THR A 13 -51.526 -18.643 -10.050 1.00 24.35 H new ATOM 0 HG23 THR A 13 -53.043 -19.565 -10.176 1.00 24.35 H new ATOM 178 N PRO A 14 -50.606 -19.676 -7.311 1.00 25.42 N ATOM 179 CA PRO A 14 -49.174 -19.793 -6.981 1.00 25.50 C ATOM 180 C PRO A 14 -48.225 -18.791 -7.689 1.00 24.95 C ATOM 181 O PRO A 14 -47.359 -18.222 -7.019 1.00 24.63 O ATOM 182 CB PRO A 14 -48.814 -21.236 -7.365 1.00 26.39 C ATOM 183 CG PRO A 14 -50.038 -21.848 -7.970 1.00 26.81 C ATOM 184 CD PRO A 14 -51.206 -20.989 -7.589 1.00 26.21 C ATOM 0 HA PRO A 14 -49.032 -19.551 -5.928 1.00 25.50 H new ATOM 0 HB2 PRO A 14 -47.986 -21.251 -8.073 1.00 26.39 H new ATOM 0 HB3 PRO A 14 -48.494 -21.800 -6.489 1.00 26.39 H new ATOM 0 HG2 PRO A 14 -49.942 -21.906 -9.054 1.00 26.81 H new ATOM 0 HG3 PRO A 14 -50.177 -22.867 -7.608 1.00 26.81 H new ATOM 0 HD2 PRO A 14 -51.938 -20.931 -8.394 1.00 26.21 H new ATOM 0 HD3 PRO A 14 -51.724 -21.384 -6.715 1.00 26.21 H new ATOM 192 N PRO A 15 -48.320 -18.575 -9.035 1.00 24.93 N ATOM 193 CA PRO A 15 -47.392 -17.675 -9.754 1.00 24.50 C ATOM 194 C PRO A 15 -47.220 -16.284 -9.104 1.00 23.52 C ATOM 195 O PRO A 15 -46.086 -15.886 -8.825 1.00 23.07 O ATOM 196 CB PRO A 15 -47.999 -17.570 -11.157 1.00 25.00 C ATOM 197 CG PRO A 15 -48.754 -18.838 -11.330 1.00 25.60 C ATOM 198 CD PRO A 15 -49.292 -19.186 -9.966 1.00 25.43 C ATOM 0 HA PRO A 15 -46.378 -18.076 -9.744 1.00 24.50 H new ATOM 0 HB2 PRO A 15 -48.654 -16.703 -11.242 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -47.226 -17.461 -11.917 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -49.563 -18.716 -12.050 1.00 25.60 H new ATOM 0 HG3 PRO A 15 -48.107 -19.629 -11.709 1.00 25.60 H new ATOM 0 HD2 PRO A 15 -50.294 -18.785 -9.817 1.00 25.43 H new ATOM 0 HD3 PRO A 15 -49.357 -20.265 -9.825 1.00 25.43 H new ATOM 206 N PRO A 16 -48.301 -15.505 -8.861 1.00 23.25 N ATOM 207 CA PRO A 16 -48.179 -14.228 -8.173 1.00 22.42 C ATOM 208 C PRO A 16 -48.169 -14.403 -6.655 1.00 22.03 C ATOM 209 O PRO A 16 -48.492 -15.474 -6.141 1.00 22.10 O ATOM 210 CB PRO A 16 -49.407 -13.450 -8.642 1.00 22.52 C ATOM 211 CG PRO A 16 -50.424 -14.474 -9.017 1.00 23.30 C ATOM 212 CD PRO A 16 -49.701 -15.783 -9.232 1.00 23.82 C ATOM 0 HA PRO A 16 -47.244 -13.716 -8.400 1.00 22.42 H new ATOM 0 HB2 PRO A 16 -49.782 -12.799 -7.852 1.00 22.52 H new ATOM 0 HB3 PRO A 16 -49.164 -12.812 -9.492 1.00 22.52 H new ATOM 0 HG2 PRO A 16 -51.172 -14.575 -8.231 1.00 23.30 H new ATOM 0 HG3 PRO A 16 -50.951 -14.175 -9.923 1.00 23.30 H new ATOM 0 HD2 PRO A 16 -50.124 -16.575 -8.614 1.00 23.82 H new ATOM 0 HD3 PRO A 16 -49.778 -16.112 -10.268 1.00 23.82 H new ATOM 220 N ASP A 17 -47.773 -13.362 -5.938 1.00 21.73 N ATOM 221 CA ASP A 17 -47.671 -13.432 -4.482 1.00 21.48 C ATOM 222 C ASP A 17 -48.923 -12.871 -3.812 1.00 20.70 C ATOM 223 O ASP A 17 -49.380 -13.398 -2.799 1.00 20.31 O ATOM 224 CB ASP A 17 -46.423 -12.681 -3.986 1.00 21.48 C ATOM 225 CG ASP A 17 -46.444 -11.197 -4.307 1.00 21.55 C ATOM 226 OD1 ASP A 17 -47.097 -10.431 -3.570 1.00 21.80 O ATOM 227 OD2 ASP A 17 -45.816 -10.792 -5.308 1.00 21.44 O ATOM 0 H ASP A 17 -47.517 -12.459 -6.337 1.00 21.73 H new ATOM 0 HA ASP A 17 -47.579 -14.483 -4.208 1.00 21.48 H new ATOM 0 HB2 ASP A 17 -46.335 -12.810 -2.907 1.00 21.48 H new ATOM 0 HB3 ASP A 17 -45.536 -13.129 -4.434 1.00 21.48 H new ATOM 232 N PHE A 18 -49.453 -11.788 -4.381 1.00 20.58 N ATOM 233 CA PHE A 18 -50.643 -11.100 -3.864 1.00 19.96 C ATOM 234 C PHE A 18 -50.375 -10.369 -2.541 1.00 19.47 C ATOM 235 O PHE A 18 -51.109 -9.452 -2.178 1.00 19.17 O ATOM 236 CB PHE A 18 -51.823 -12.065 -3.679 1.00 20.48 C ATOM 237 CG PHE A 18 -52.369 -12.627 -4.962 1.00 20.66 C ATOM 238 CD1 PHE A 18 -52.974 -11.799 -5.893 1.00 20.54 C ATOM 239 CD2 PHE A 18 -52.290 -13.986 -5.228 1.00 21.10 C ATOM 240 CE1 PHE A 18 -53.488 -12.312 -7.065 1.00 20.84 C ATOM 241 CE2 PHE A 18 -52.803 -14.506 -6.403 1.00 21.40 C ATOM 242 CZ PHE A 18 -53.402 -13.667 -7.320 1.00 21.27 C ATOM 0 H PHE A 18 -49.067 -11.357 -5.221 1.00 20.58 H new ATOM 0 HA PHE A 18 -50.902 -10.357 -4.618 1.00 19.96 H new ATOM 0 HB2 PHE A 18 -51.506 -12.890 -3.040 1.00 20.48 H new ATOM 0 HB3 PHE A 18 -52.624 -11.545 -3.154 1.00 20.48 H new ATOM 0 HD1 PHE A 18 -53.044 -10.739 -5.699 1.00 20.54 H new ATOM 0 HD2 PHE A 18 -51.823 -14.645 -4.511 1.00 21.10 H new ATOM 0 HE1 PHE A 18 -53.957 -11.655 -7.783 1.00 20.84 H new ATOM 0 HE2 PHE A 18 -52.735 -15.565 -6.602 1.00 21.40 H new ATOM 0 HZ PHE A 18 -53.804 -14.070 -8.238 1.00 21.27 H new ATOM 252 N ASN A 19 -49.321 -10.749 -1.834 1.00 19.51 N ATOM 253 CA ASN A 19 -49.062 -10.213 -0.498 1.00 19.22 C ATOM 254 C ASN A 19 -48.293 -8.898 -0.540 1.00 18.44 C ATOM 255 O ASN A 19 -48.280 -8.152 0.438 1.00 18.17 O ATOM 256 CB ASN A 19 -48.332 -11.246 0.364 1.00 19.70 C ATOM 257 CG ASN A 19 -49.299 -12.221 1.012 1.00 20.22 C ATOM 258 OD1 ASN A 19 -50.416 -11.853 1.385 1.00 20.50 O ATOM 259 ND2 ASN A 19 -48.889 -13.472 1.137 1.00 20.47 N ATOM 0 H ASN A 19 -48.630 -11.425 -2.159 1.00 19.51 H new ATOM 0 HA ASN A 19 -50.029 -9.998 -0.044 1.00 19.22 H new ATOM 0 HB2 ASN A 19 -47.619 -11.795 -0.251 1.00 19.70 H new ATOM 0 HB3 ASN A 19 -47.758 -10.735 1.137 1.00 19.70 H new ATOM 0 HD21 ASN A 19 -49.504 -14.171 1.554 1.00 20.47 H new ATOM 0 HD22 ASN A 19 -47.958 -13.738 0.816 1.00 20.47 H new ATOM 266 N GLN A 20 -47.673 -8.597 -1.675 1.00 18.18 N ATOM 267 CA GLN A 20 -47.034 -7.311 -1.866 1.00 17.53 C ATOM 268 C GLN A 20 -48.065 -6.330 -2.409 1.00 17.18 C ATOM 269 O GLN A 20 -47.722 -5.245 -2.861 1.00 16.92 O ATOM 270 CB GLN A 20 -45.848 -7.420 -2.839 1.00 17.65 C ATOM 271 CG GLN A 20 -44.834 -8.511 -2.496 1.00 18.17 C ATOM 272 CD GLN A 20 -44.220 -8.369 -1.112 1.00 18.45 C ATOM 273 OE1 GLN A 20 -44.149 -7.150 -0.608 1.00 18.40 O flip ATOM 274 NE2 GLN A 20 -43.812 -9.357 -0.502 1.00 18.86 N flip ATOM 0 H GLN A 20 -47.602 -9.228 -2.473 1.00 18.18 H new ATOM 0 HA GLN A 20 -46.647 -6.960 -0.909 1.00 17.53 H new ATOM 0 HB2 GLN A 20 -46.235 -7.605 -3.841 1.00 17.65 H new ATOM 0 HB3 GLN A 20 -45.332 -6.461 -2.869 1.00 17.65 H new ATOM 0 HG2 GLN A 20 -45.322 -9.483 -2.568 1.00 18.17 H new ATOM 0 HG3 GLN A 20 -44.037 -8.499 -3.239 1.00 18.17 H new ATOM 0 HE21 GLN A 20 -43.884 -10.283 -0.924 1.00 18.86 H new ATOM 0 HE22 GLN A 20 -43.402 -9.250 0.426 1.00 18.86 H new ATOM 283 N CYS A 21 -49.332 -6.756 -2.406 1.00 17.29 N ATOM 284 CA CYS A 21 -50.462 -5.906 -2.789 1.00 17.13 C ATOM 285 C CYS A 21 -50.378 -5.438 -4.248 1.00 16.75 C ATOM 286 O CYS A 21 -51.137 -4.568 -4.668 1.00 16.28 O ATOM 287 CB CYS A 21 -50.554 -4.705 -1.844 1.00 16.85 C ATOM 288 SG CYS A 21 -50.798 -5.162 -0.105 1.00 17.55 S ATOM 0 H CYS A 21 -49.603 -7.702 -2.137 1.00 17.29 H new ATOM 0 HA CYS A 21 -51.367 -6.508 -2.704 1.00 17.13 H new ATOM 0 HB2 CYS A 21 -49.642 -4.115 -1.931 1.00 16.85 H new ATOM 0 HB3 CYS A 21 -51.378 -4.066 -2.162 1.00 16.85 H new ATOM 0 HG CYS A 21 -50.862 -4.086 0.622 1.00 17.55 H new ATOM 294 N LEU A 22 -49.453 -6.022 -5.009 1.00 17.08 N ATOM 295 CA LEU A 22 -49.309 -5.728 -6.438 1.00 16.96 C ATOM 296 C LEU A 22 -49.017 -4.250 -6.699 1.00 16.12 C ATOM 297 O LEU A 22 -49.281 -3.747 -7.788 1.00 16.24 O ATOM 298 CB LEU A 22 -50.563 -6.154 -7.219 1.00 17.70 C ATOM 299 CG LEU A 22 -50.766 -7.667 -7.392 1.00 18.56 C ATOM 300 CD1 LEU A 22 -49.492 -8.331 -7.900 1.00 18.72 C ATOM 301 CD2 LEU A 22 -51.234 -8.319 -6.096 1.00 19.08 C ATOM 0 H LEU A 22 -48.785 -6.708 -4.657 1.00 17.08 H new ATOM 0 HA LEU A 22 -48.454 -6.306 -6.788 1.00 16.96 H new ATOM 0 HB2 LEU A 22 -51.438 -5.745 -6.714 1.00 17.70 H new ATOM 0 HB3 LEU A 22 -50.524 -5.697 -8.208 1.00 17.70 H new ATOM 0 HG LEU A 22 -51.549 -7.811 -8.137 1.00 18.56 H new ATOM 0 HD11 LEU A 22 -49.661 -9.402 -8.015 1.00 18.72 H new ATOM 0 HD12 LEU A 22 -49.217 -7.902 -8.864 1.00 18.72 H new ATOM 0 HD13 LEU A 22 -48.686 -8.165 -7.186 1.00 18.72 H new ATOM 0 HD21 LEU A 22 -51.368 -9.389 -6.255 1.00 19.08 H new ATOM 0 HD22 LEU A 22 -50.488 -8.158 -5.318 1.00 19.08 H new ATOM 0 HD23 LEU A 22 -52.181 -7.877 -5.788 1.00 19.08 H new ATOM 313 N LYS A 23 -48.434 -3.565 -5.715 1.00 15.37 N ATOM 314 CA LYS A 23 -48.119 -2.136 -5.859 1.00 14.61 C ATOM 315 C LYS A 23 -46.779 -1.922 -6.534 1.00 14.25 C ATOM 316 O LYS A 23 -46.215 -0.832 -6.462 1.00 13.68 O ATOM 317 CB LYS A 23 -48.161 -1.410 -4.503 1.00 14.14 C ATOM 318 CG LYS A 23 -48.083 -2.319 -3.288 1.00 14.53 C ATOM 319 CD LYS A 23 -46.666 -2.527 -2.766 1.00 14.23 C ATOM 320 CE LYS A 23 -45.735 -3.190 -3.765 1.00 14.39 C ATOM 321 NZ LYS A 23 -44.430 -3.534 -3.138 1.00 14.38 N ATOM 0 H LYS A 23 -48.171 -3.968 -4.816 1.00 15.37 H new ATOM 0 HA LYS A 23 -48.889 -1.706 -6.499 1.00 14.61 H new ATOM 0 HB2 LYS A 23 -47.335 -0.701 -4.461 1.00 14.14 H new ATOM 0 HB3 LYS A 23 -49.082 -0.830 -4.446 1.00 14.14 H new ATOM 0 HG2 LYS A 23 -48.696 -1.898 -2.491 1.00 14.53 H new ATOM 0 HG3 LYS A 23 -48.512 -3.288 -3.542 1.00 14.53 H new ATOM 0 HD2 LYS A 23 -46.249 -1.561 -2.481 1.00 14.23 H new ATOM 0 HD3 LYS A 23 -46.707 -3.136 -1.863 1.00 14.23 H new ATOM 0 HE2 LYS A 23 -46.202 -4.093 -4.158 1.00 14.39 H new ATOM 0 HE3 LYS A 23 -45.570 -2.523 -4.611 1.00 14.39 H new ATOM 0 HZ1 LYS A 23 -43.985 -4.311 -3.667 1.00 14.38 H new ATOM 0 HZ2 LYS A 23 -43.807 -2.702 -3.155 1.00 14.38 H new ATOM 0 HZ3 LYS A 23 -44.585 -3.830 -2.153 1.00 14.38 H new ATOM 335 N ASN A 24 -46.282 -2.975 -7.178 1.00 14.73 N ATOM 336 CA ASN A 24 -45.096 -2.894 -8.033 1.00 14.67 C ATOM 337 C ASN A 24 -43.815 -2.676 -7.239 1.00 13.87 C ATOM 338 O ASN A 24 -42.985 -3.581 -7.129 1.00 14.11 O ATOM 339 CB ASN A 24 -45.251 -1.770 -9.062 1.00 14.94 C ATOM 340 CG ASN A 24 -46.255 -2.090 -10.156 1.00 15.80 C ATOM 341 OD1 ASN A 24 -46.273 -3.337 -10.611 1.00 16.18 O flip ATOM 342 ND2 ASN A 24 -46.986 -1.216 -10.617 1.00 16.23 N flip ATOM 0 H ASN A 24 -46.688 -3.909 -7.123 1.00 14.73 H new ATOM 0 HA ASN A 24 -45.014 -3.855 -8.540 1.00 14.67 H new ATOM 0 HB2 ASN A 24 -45.560 -0.859 -8.550 1.00 14.94 H new ATOM 0 HB3 ASN A 24 -44.281 -1.567 -9.517 1.00 14.94 H new ATOM 0 HD21 ASN A 24 -46.946 -0.268 -10.243 1.00 16.23 H new ATOM 0 HD22 ASN A 24 -47.633 -1.439 -11.373 1.00 16.23 H new ATOM 349 N SER A 25 -43.690 -1.481 -6.668 1.00 13.05 N ATOM 350 CA SER A 25 -42.433 -0.994 -6.127 1.00 12.28 C ATOM 351 C SER A 25 -41.386 -0.957 -7.227 1.00 12.15 C ATOM 352 O SER A 25 -40.515 -1.823 -7.306 1.00 12.30 O ATOM 353 CB SER A 25 -41.953 -1.821 -4.934 1.00 12.37 C ATOM 354 OG SER A 25 -42.773 -1.580 -3.801 1.00 12.97 O ATOM 0 H SER A 25 -44.464 -0.824 -6.569 1.00 13.05 H new ATOM 0 HA SER A 25 -42.596 0.016 -5.752 1.00 12.28 H new ATOM 0 HB2 SER A 25 -41.974 -2.881 -5.187 1.00 12.37 H new ATOM 0 HB3 SER A 25 -40.918 -1.569 -4.702 1.00 12.37 H new ATOM 0 HG SER A 25 -42.784 -0.620 -3.604 1.00 12.97 H new ATOM 360 N PRO A 26 -41.503 0.038 -8.124 1.00 12.10 N ATOM 361 CA PRO A 26 -40.589 0.191 -9.258 1.00 12.18 C ATOM 362 C PRO A 26 -39.153 0.442 -8.807 1.00 11.48 C ATOM 363 O PRO A 26 -38.202 0.230 -9.562 1.00 11.60 O ATOM 364 CB PRO A 26 -41.144 1.394 -10.031 1.00 12.53 C ATOM 365 CG PRO A 26 -42.052 2.107 -9.083 1.00 12.59 C ATOM 366 CD PRO A 26 -42.546 1.083 -8.097 1.00 12.23 C ATOM 0 HA PRO A 26 -40.541 -0.714 -9.864 1.00 12.18 H new ATOM 0 HB2 PRO A 26 -40.339 2.048 -10.367 1.00 12.53 H new ATOM 0 HB3 PRO A 26 -41.684 1.071 -10.921 1.00 12.53 H new ATOM 0 HG2 PRO A 26 -41.522 2.911 -8.572 1.00 12.59 H new ATOM 0 HG3 PRO A 26 -42.886 2.563 -9.616 1.00 12.59 H new ATOM 0 HD2 PRO A 26 -42.660 1.509 -7.100 1.00 12.23 H new ATOM 0 HD3 PRO A 26 -43.519 0.685 -8.386 1.00 12.23 H new ATOM 374 N ASP A 27 -39.003 0.893 -7.570 1.00 10.92 N ATOM 375 CA ASP A 27 -37.686 1.055 -6.981 1.00 10.34 C ATOM 376 C ASP A 27 -37.708 0.632 -5.522 1.00 9.92 C ATOM 377 O ASP A 27 -37.621 -0.558 -5.209 1.00 10.16 O ATOM 378 CB ASP A 27 -37.187 2.502 -7.096 1.00 10.24 C ATOM 379 CG ASP A 27 -35.714 2.621 -6.755 1.00 10.06 C ATOM 380 OD1 ASP A 27 -35.367 2.678 -5.552 1.00 9.96 O ATOM 381 OD2 ASP A 27 -34.895 2.620 -7.693 1.00 10.17 O ATOM 0 H ASP A 27 -39.776 1.152 -6.958 1.00 10.92 H new ATOM 0 HA ASP A 27 -36.997 0.417 -7.535 1.00 10.34 H new ATOM 0 HB2 ASP A 27 -37.355 2.865 -8.110 1.00 10.24 H new ATOM 0 HB3 ASP A 27 -37.767 3.140 -6.429 1.00 10.24 H new ATOM 386 N GLU A 28 -37.857 1.619 -4.648 1.00 9.51 N ATOM 387 CA GLU A 28 -37.853 1.417 -3.209 1.00 9.33 C ATOM 388 C GLU A 28 -36.581 0.710 -2.736 1.00 8.90 C ATOM 389 O GLU A 28 -36.593 -0.017 -1.744 1.00 9.13 O ATOM 390 CB GLU A 28 -39.109 0.657 -2.759 1.00 10.13 C ATOM 391 CG GLU A 28 -40.355 1.529 -2.633 1.00 10.77 C ATOM 392 CD GLU A 28 -40.947 1.955 -3.967 1.00 11.21 C ATOM 393 OE1 GLU A 28 -40.371 2.842 -4.636 1.00 11.40 O ATOM 394 OE2 GLU A 28 -42.018 1.426 -4.331 1.00 11.54 O ATOM 0 H GLU A 28 -37.985 2.593 -4.924 1.00 9.51 H new ATOM 0 HA GLU A 28 -37.866 2.402 -2.742 1.00 9.33 H new ATOM 0 HB2 GLU A 28 -39.310 -0.144 -3.470 1.00 10.13 H new ATOM 0 HB3 GLU A 28 -38.910 0.186 -1.796 1.00 10.13 H new ATOM 0 HG2 GLU A 28 -41.112 0.985 -2.068 1.00 10.77 H new ATOM 0 HG3 GLU A 28 -40.106 2.420 -2.056 1.00 10.77 H new ATOM 401 N LYS A 29 -35.479 0.950 -3.435 1.00 8.50 N ATOM 402 CA LYS A 29 -34.187 0.438 -3.005 1.00 8.24 C ATOM 403 C LYS A 29 -33.365 1.560 -2.398 1.00 7.81 C ATOM 404 O LYS A 29 -32.377 1.305 -1.714 1.00 7.74 O ATOM 405 CB LYS A 29 -33.397 -0.189 -4.160 1.00 8.29 C ATOM 406 CG LYS A 29 -34.079 -1.367 -4.834 1.00 8.34 C ATOM 407 CD LYS A 29 -34.723 -0.958 -6.148 1.00 8.62 C ATOM 408 CE LYS A 29 -33.725 -0.264 -7.058 1.00 8.72 C ATOM 409 NZ LYS A 29 -34.327 0.135 -8.360 1.00 9.11 N ATOM 0 H LYS A 29 -35.455 1.493 -4.298 1.00 8.50 H new ATOM 0 HA LYS A 29 -34.379 -0.340 -2.266 1.00 8.24 H new ATOM 0 HB2 LYS A 29 -33.205 0.579 -4.909 1.00 8.29 H new ATOM 0 HB3 LYS A 29 -32.428 -0.516 -3.783 1.00 8.29 H new ATOM 0 HG2 LYS A 29 -33.350 -2.157 -5.015 1.00 8.34 H new ATOM 0 HG3 LYS A 29 -34.837 -1.780 -4.169 1.00 8.34 H new ATOM 0 HD2 LYS A 29 -35.124 -1.839 -6.649 1.00 8.62 H new ATOM 0 HD3 LYS A 29 -35.564 -0.293 -5.952 1.00 8.62 H new ATOM 0 HE2 LYS A 29 -33.333 0.620 -6.556 1.00 8.72 H new ATOM 0 HE3 LYS A 29 -32.880 -0.928 -7.240 1.00 8.72 H new ATOM 0 HZ1 LYS A 29 -33.680 -0.118 -9.134 1.00 9.11 H new ATOM 0 HZ2 LYS A 29 -35.233 -0.360 -8.490 1.00 9.11 H new ATOM 0 HZ3 LYS A 29 -34.489 1.162 -8.367 1.00 9.11 H new ATOM 423 N PHE A 30 -33.757 2.802 -2.708 1.00 7.78 N ATOM 424 CA PHE A 30 -33.113 4.009 -2.169 1.00 7.70 C ATOM 425 C PHE A 30 -31.779 4.272 -2.872 1.00 7.44 C ATOM 426 O PHE A 30 -31.425 5.418 -3.144 1.00 7.61 O ATOM 427 CB PHE A 30 -32.918 3.919 -0.647 1.00 7.98 C ATOM 428 CG PHE A 30 -32.440 5.199 -0.021 1.00 8.78 C ATOM 429 CD1 PHE A 30 -33.323 6.247 0.195 1.00 9.03 C ATOM 430 CD2 PHE A 30 -31.113 5.358 0.351 1.00 9.49 C ATOM 431 CE1 PHE A 30 -32.891 7.429 0.767 1.00 9.98 C ATOM 432 CE2 PHE A 30 -30.676 6.538 0.925 1.00 10.39 C ATOM 433 CZ PHE A 30 -31.568 7.574 1.133 1.00 10.64 C ATOM 0 H PHE A 30 -34.532 3.000 -3.341 1.00 7.78 H new ATOM 0 HA PHE A 30 -33.779 4.850 -2.364 1.00 7.70 H new ATOM 0 HB2 PHE A 30 -33.862 3.630 -0.185 1.00 7.98 H new ATOM 0 HB3 PHE A 30 -32.201 3.128 -0.428 1.00 7.98 H new ATOM 0 HD1 PHE A 30 -34.360 6.138 -0.087 1.00 9.03 H new ATOM 0 HD2 PHE A 30 -30.413 4.551 0.191 1.00 9.49 H new ATOM 0 HE1 PHE A 30 -33.588 8.238 0.927 1.00 9.98 H new ATOM 0 HE2 PHE A 30 -29.640 6.650 1.210 1.00 10.39 H new ATOM 0 HZ PHE A 30 -31.230 8.496 1.582 1.00 10.64 H new ATOM 443 N PHE A 31 -31.059 3.203 -3.194 1.00 7.30 N ATOM 444 CA PHE A 31 -29.813 3.301 -3.927 1.00 7.33 C ATOM 445 C PHE A 31 -30.112 3.319 -5.410 1.00 7.51 C ATOM 446 O PHE A 31 -29.217 3.485 -6.231 1.00 7.81 O ATOM 447 CB PHE A 31 -28.884 2.131 -3.586 1.00 7.36 C ATOM 448 CG PHE A 31 -28.396 2.139 -2.166 1.00 7.57 C ATOM 449 CD1 PHE A 31 -29.113 1.499 -1.166 1.00 7.97 C ATOM 450 CD2 PHE A 31 -27.213 2.781 -1.831 1.00 7.70 C ATOM 451 CE1 PHE A 31 -28.661 1.501 0.140 1.00 8.50 C ATOM 452 CE2 PHE A 31 -26.755 2.786 -0.527 1.00 8.21 C ATOM 453 CZ PHE A 31 -27.481 2.144 0.459 1.00 8.62 C ATOM 0 H PHE A 31 -31.326 2.249 -2.953 1.00 7.30 H new ATOM 0 HA PHE A 31 -29.305 4.223 -3.644 1.00 7.33 H new ATOM 0 HB2 PHE A 31 -29.410 1.195 -3.774 1.00 7.36 H new ATOM 0 HB3 PHE A 31 -28.025 2.154 -4.256 1.00 7.36 H new ATOM 0 HD1 PHE A 31 -30.035 0.993 -1.411 1.00 7.97 H new ATOM 0 HD2 PHE A 31 -26.643 3.283 -2.599 1.00 7.70 H new ATOM 0 HE1 PHE A 31 -29.230 1.001 0.910 1.00 8.50 H new ATOM 0 HE2 PHE A 31 -25.833 3.290 -0.279 1.00 8.21 H new ATOM 0 HZ PHE A 31 -27.125 2.145 1.479 1.00 8.62 H new ATOM 463 N SER A 32 -31.395 3.123 -5.733 1.00 7.60 N ATOM 464 CA SER A 32 -31.895 3.212 -7.100 1.00 8.12 C ATOM 465 C SER A 32 -31.063 2.356 -8.054 1.00 8.57 C ATOM 466 O SER A 32 -30.790 2.757 -9.184 1.00 9.15 O ATOM 467 CB SER A 32 -31.893 4.673 -7.534 1.00 8.65 C ATOM 468 OG SER A 32 -32.479 5.498 -6.535 1.00 9.33 O ATOM 0 H SER A 32 -32.115 2.897 -5.047 1.00 7.60 H new ATOM 0 HA SER A 32 -32.914 2.825 -7.132 1.00 8.12 H new ATOM 0 HB2 SER A 32 -30.871 4.998 -7.727 1.00 8.65 H new ATOM 0 HB3 SER A 32 -32.443 4.780 -8.469 1.00 8.65 H new ATOM 0 HG SER A 32 -32.466 6.432 -6.833 1.00 9.33 H new ATOM 474 N ASP A 33 -30.676 1.170 -7.566 1.00 8.53 N ATOM 475 CA ASP A 33 -29.840 0.203 -8.300 1.00 9.12 C ATOM 476 C ASP A 33 -28.640 0.854 -8.986 1.00 9.48 C ATOM 477 O ASP A 33 -28.153 0.365 -10.005 1.00 10.03 O ATOM 478 CB ASP A 33 -30.651 -0.641 -9.301 1.00 9.83 C ATOM 479 CG ASP A 33 -31.326 0.145 -10.413 1.00 10.39 C ATOM 480 OD1 ASP A 33 -30.669 0.436 -11.436 1.00 10.73 O ATOM 481 OD2 ASP A 33 -32.539 0.428 -10.288 1.00 10.68 O ATOM 0 H ASP A 33 -30.938 0.847 -6.634 1.00 8.53 H new ATOM 0 HA ASP A 33 -29.450 -0.473 -7.539 1.00 9.12 H new ATOM 0 HB2 ASP A 33 -29.987 -1.379 -9.751 1.00 9.83 H new ATOM 0 HB3 ASP A 33 -31.415 -1.192 -8.752 1.00 9.83 H new ATOM 486 N PHE A 34 -28.136 1.924 -8.381 1.00 9.37 N ATOM 487 CA PHE A 34 -26.922 2.581 -8.852 1.00 9.94 C ATOM 488 C PHE A 34 -25.727 1.659 -8.692 1.00 9.93 C ATOM 489 O PHE A 34 -24.738 1.763 -9.415 1.00 10.33 O ATOM 490 CB PHE A 34 -26.688 3.886 -8.082 1.00 9.89 C ATOM 491 CG PHE A 34 -27.333 5.085 -8.723 1.00 10.10 C ATOM 492 CD1 PHE A 34 -26.746 5.702 -9.815 1.00 10.53 C ATOM 493 CD2 PHE A 34 -28.523 5.596 -8.232 1.00 10.09 C ATOM 494 CE1 PHE A 34 -27.331 6.807 -10.403 1.00 10.95 C ATOM 495 CE2 PHE A 34 -29.113 6.701 -8.817 1.00 10.50 C ATOM 496 CZ PHE A 34 -28.516 7.308 -9.904 1.00 10.92 C ATOM 0 H PHE A 34 -28.553 2.357 -7.557 1.00 9.37 H new ATOM 0 HA PHE A 34 -27.044 2.816 -9.909 1.00 9.94 H new ATOM 0 HB2 PHE A 34 -27.073 3.775 -7.068 1.00 9.89 H new ATOM 0 HB3 PHE A 34 -25.616 4.062 -7.998 1.00 9.89 H new ATOM 0 HD1 PHE A 34 -25.819 5.315 -10.212 1.00 10.53 H new ATOM 0 HD2 PHE A 34 -28.996 5.126 -7.382 1.00 10.09 H new ATOM 0 HE1 PHE A 34 -26.861 7.279 -11.253 1.00 10.95 H new ATOM 0 HE2 PHE A 34 -30.041 7.089 -8.424 1.00 10.50 H new ATOM 0 HZ PHE A 34 -28.975 8.172 -10.362 1.00 10.92 H new ATOM 506 N SER A 35 -25.855 0.749 -7.739 1.00 9.65 N ATOM 507 CA SER A 35 -24.827 -0.230 -7.428 1.00 9.74 C ATOM 508 C SER A 35 -25.250 -0.978 -6.173 1.00 9.44 C ATOM 509 O SER A 35 -24.952 -2.158 -6.012 1.00 9.50 O ATOM 510 CB SER A 35 -23.466 0.440 -7.204 1.00 10.04 C ATOM 511 OG SER A 35 -22.451 -0.520 -6.972 1.00 10.16 O ATOM 0 H SER A 35 -26.686 0.669 -7.153 1.00 9.65 H new ATOM 0 HA SER A 35 -24.718 -0.916 -8.268 1.00 9.74 H new ATOM 0 HB2 SER A 35 -23.207 1.042 -8.075 1.00 10.04 H new ATOM 0 HB3 SER A 35 -23.528 1.119 -6.354 1.00 10.04 H new ATOM 0 HG SER A 35 -21.595 -0.064 -6.834 1.00 10.16 H new ATOM 517 N ASN A 36 -25.959 -0.262 -5.294 1.00 9.30 N ATOM 518 CA ASN A 36 -26.432 -0.792 -4.008 1.00 9.24 C ATOM 519 C ASN A 36 -25.279 -1.019 -3.032 1.00 8.77 C ATOM 520 O ASN A 36 -25.320 -0.544 -1.900 1.00 8.94 O ATOM 521 CB ASN A 36 -27.242 -2.077 -4.187 1.00 9.46 C ATOM 522 CG ASN A 36 -28.593 -1.837 -4.838 1.00 10.11 C ATOM 523 OD1 ASN A 36 -28.703 -2.153 -6.119 1.00 10.51 O flip ATOM 524 ND2 ASN A 36 -29.536 -1.398 -4.187 1.00 10.41 N flip ATOM 0 H ASN A 36 -26.224 0.710 -5.455 1.00 9.30 H new ATOM 0 HA ASN A 36 -27.091 -0.035 -3.582 1.00 9.24 H new ATOM 0 HB2 ASN A 36 -26.671 -2.779 -4.795 1.00 9.46 H new ATOM 0 HB3 ASN A 36 -27.391 -2.545 -3.214 1.00 9.46 H new ATOM 0 HD21 ASN A 36 -29.411 -1.166 -3.202 1.00 10.41 H new ATOM 0 HD22 ASN A 36 -30.444 -1.265 -4.631 1.00 10.41 H new ATOM 531 N ASN A 37 -24.229 -1.700 -3.485 1.00 8.43 N ATOM 532 CA ASN A 37 -23.062 -1.988 -2.650 1.00 8.29 C ATOM 533 C ASN A 37 -22.060 -0.842 -2.788 1.00 7.88 C ATOM 534 O ASN A 37 -20.852 -1.005 -2.638 1.00 7.92 O ATOM 535 CB ASN A 37 -22.434 -3.325 -3.080 1.00 8.59 C ATOM 536 CG ASN A 37 -21.471 -3.907 -2.055 1.00 9.45 C ATOM 537 OD1 ASN A 37 -21.872 -4.652 -1.161 1.00 9.82 O ATOM 538 ND2 ASN A 37 -20.194 -3.584 -2.191 1.00 10.00 N ATOM 0 H ASN A 37 -24.161 -2.066 -4.435 1.00 8.43 H new ATOM 0 HA ASN A 37 -23.358 -2.074 -1.605 1.00 8.29 H new ATOM 0 HB2 ASN A 37 -23.230 -4.046 -3.268 1.00 8.59 H new ATOM 0 HB3 ASN A 37 -21.905 -3.181 -4.022 1.00 8.59 H new ATOM 0 HD21 ASN A 37 -19.502 -3.956 -1.541 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -19.903 -2.963 -2.946 1.00 10.00 H new ATOM 545 N MET A 38 -22.592 0.333 -3.070 1.00 7.75 N ATOM 546 CA MET A 38 -21.782 1.507 -3.319 1.00 7.70 C ATOM 547 C MET A 38 -21.724 2.382 -2.074 1.00 7.11 C ATOM 548 O MET A 38 -20.746 3.089 -1.836 1.00 7.09 O ATOM 549 CB MET A 38 -22.397 2.286 -4.473 1.00 8.48 C ATOM 550 CG MET A 38 -21.472 3.313 -5.082 1.00 9.45 C ATOM 551 SD MET A 38 -22.285 4.269 -6.376 1.00 10.41 S ATOM 552 CE MET A 38 -20.969 5.386 -6.841 1.00 10.82 C ATOM 0 H MET A 38 -23.597 0.498 -3.132 1.00 7.75 H new ATOM 0 HA MET A 38 -20.766 1.205 -3.573 1.00 7.70 H new ATOM 0 HB2 MET A 38 -22.705 1.584 -5.248 1.00 8.48 H new ATOM 0 HB3 MET A 38 -23.298 2.787 -4.120 1.00 8.48 H new ATOM 0 HG2 MET A 38 -21.115 3.987 -4.303 1.00 9.45 H new ATOM 0 HG3 MET A 38 -20.597 2.813 -5.496 1.00 9.45 H new ATOM 0 HE1 MET A 38 -21.316 6.046 -7.636 1.00 10.82 H new ATOM 0 HE2 MET A 38 -20.675 5.982 -5.977 1.00 10.82 H new ATOM 0 HE3 MET A 38 -20.112 4.812 -7.194 1.00 10.82 H new ATOM 562 N GLY A 39 -22.777 2.303 -1.271 1.00 6.94 N ATOM 563 CA GLY A 39 -22.877 3.135 -0.085 1.00 6.72 C ATOM 564 C GLY A 39 -22.310 2.468 1.152 1.00 6.82 C ATOM 565 O GLY A 39 -22.429 2.997 2.258 1.00 7.22 O ATOM 0 H GLY A 39 -23.567 1.675 -1.420 1.00 6.94 H new ATOM 0 HA2 GLY A 39 -22.350 4.073 -0.260 1.00 6.72 H new ATOM 0 HA3 GLY A 39 -23.923 3.385 0.090 1.00 6.72 H new ATOM 569 N SER A 40 -21.694 1.309 0.970 1.00 6.70 N ATOM 570 CA SER A 40 -21.085 0.578 2.075 1.00 7.03 C ATOM 571 C SER A 40 -19.923 1.370 2.660 1.00 6.75 C ATOM 572 O SER A 40 -19.821 1.532 3.875 1.00 7.15 O ATOM 573 CB SER A 40 -20.601 -0.777 1.576 1.00 7.71 C ATOM 574 OG SER A 40 -21.600 -1.403 0.793 1.00 7.71 O ATOM 0 H SER A 40 -21.602 0.852 0.063 1.00 6.70 H new ATOM 0 HA SER A 40 -21.827 0.431 2.860 1.00 7.03 H new ATOM 0 HB2 SER A 40 -19.694 -0.651 0.985 1.00 7.71 H new ATOM 0 HB3 SER A 40 -20.344 -1.412 2.423 1.00 7.71 H new ATOM 0 HG SER A 40 -21.273 -2.272 0.479 1.00 7.71 H new ATOM 580 N ARG A 41 -19.080 1.880 1.767 1.00 6.32 N ATOM 581 CA ARG A 41 -17.931 2.712 2.131 1.00 6.15 C ATOM 582 C ARG A 41 -16.888 1.931 2.933 1.00 6.66 C ATOM 583 O ARG A 41 -17.035 1.718 4.141 1.00 6.86 O ATOM 584 CB ARG A 41 -18.378 3.944 2.923 1.00 5.64 C ATOM 585 CG ARG A 41 -19.378 4.833 2.194 1.00 5.83 C ATOM 586 CD ARG A 41 -18.792 5.440 0.929 1.00 6.30 C ATOM 587 NE ARG A 41 -19.749 6.308 0.236 1.00 6.60 N ATOM 588 CZ ARG A 41 -19.425 7.134 -0.761 1.00 7.29 C ATOM 589 NH1 ARG A 41 -18.177 7.208 -1.200 1.00 7.72 N ATOM 590 NH2 ARG A 41 -20.353 7.890 -1.329 1.00 7.82 N ATOM 0 H ARG A 41 -19.173 1.728 0.763 1.00 6.32 H new ATOM 0 HA ARG A 41 -17.467 3.034 1.199 1.00 6.15 H new ATOM 0 HB2 ARG A 41 -18.821 3.615 3.863 1.00 5.64 H new ATOM 0 HB3 ARG A 41 -17.499 4.537 3.175 1.00 5.64 H new ATOM 0 HG2 ARG A 41 -20.262 4.249 1.939 1.00 5.83 H new ATOM 0 HG3 ARG A 41 -19.705 5.631 2.860 1.00 5.83 H new ATOM 0 HD2 ARG A 41 -17.901 6.014 1.183 1.00 6.30 H new ATOM 0 HD3 ARG A 41 -18.476 4.642 0.258 1.00 6.30 H new ATOM 0 HE ARG A 41 -20.724 6.279 0.535 1.00 6.60 H new ATOM 0 HH11 ARG A 41 -17.452 6.630 -0.775 1.00 7.72 H new ATOM 0 HH12 ARG A 41 -17.941 7.843 -1.963 1.00 7.72 H new ATOM 0 HH21 ARG A 41 -21.319 7.842 -1.005 1.00 7.82 H new ATOM 0 HH22 ARG A 41 -20.102 8.520 -2.091 1.00 7.82 H new ATOM 604 N LYS A 42 -15.834 1.504 2.251 1.00 7.18 N ATOM 605 CA LYS A 42 -14.712 0.841 2.903 1.00 7.95 C ATOM 606 C LYS A 42 -13.542 1.811 2.992 1.00 7.64 C ATOM 607 O LYS A 42 -13.249 2.368 4.048 1.00 7.95 O ATOM 608 CB LYS A 42 -14.277 -0.423 2.147 1.00 8.85 C ATOM 609 CG LYS A 42 -15.226 -1.610 2.291 1.00 9.40 C ATOM 610 CD LYS A 42 -16.464 -1.476 1.413 1.00 8.95 C ATOM 611 CE LYS A 42 -17.413 -2.651 1.607 1.00 9.61 C ATOM 612 NZ LYS A 42 -16.791 -3.944 1.223 1.00 9.98 N ATOM 0 H LYS A 42 -15.732 1.606 1.241 1.00 7.18 H new ATOM 0 HA LYS A 42 -15.031 0.537 3.900 1.00 7.95 H new ATOM 0 HB2 LYS A 42 -14.177 -0.181 1.089 1.00 8.85 H new ATOM 0 HB3 LYS A 42 -13.289 -0.720 2.500 1.00 8.85 H new ATOM 0 HG2 LYS A 42 -14.698 -2.527 2.031 1.00 9.40 H new ATOM 0 HG3 LYS A 42 -15.532 -1.703 3.333 1.00 9.40 H new ATOM 0 HD2 LYS A 42 -16.981 -0.546 1.650 1.00 8.95 H new ATOM 0 HD3 LYS A 42 -16.165 -1.417 0.366 1.00 8.95 H new ATOM 0 HE2 LYS A 42 -17.725 -2.696 2.651 1.00 9.61 H new ATOM 0 HE3 LYS A 42 -18.312 -2.492 1.012 1.00 9.61 H new ATOM 0 HZ1 LYS A 42 -17.521 -4.685 1.192 1.00 9.98 H new ATOM 0 HZ2 LYS A 42 -16.351 -3.852 0.285 1.00 9.98 H new ATOM 0 HZ3 LYS A 42 -16.066 -4.202 1.922 1.00 9.98 H new ATOM 626 N ASN A 43 -12.905 2.029 1.852 1.00 7.18 N ATOM 627 CA ASN A 43 -11.797 2.968 1.749 1.00 6.90 C ATOM 628 C ASN A 43 -11.869 3.691 0.410 1.00 6.59 C ATOM 629 O ASN A 43 -11.244 3.283 -0.562 1.00 7.32 O ATOM 630 CB ASN A 43 -10.448 2.250 1.892 1.00 7.86 C ATOM 631 CG ASN A 43 -9.276 3.220 1.953 1.00 7.89 C ATOM 632 OD1 ASN A 43 -8.745 3.641 0.924 1.00 7.84 O ATOM 633 ND2 ASN A 43 -8.853 3.574 3.159 1.00 8.26 N ATOM 0 H ASN A 43 -13.139 1.563 0.976 1.00 7.18 H new ATOM 0 HA ASN A 43 -11.877 3.692 2.560 1.00 6.90 H new ATOM 0 HB2 ASN A 43 -10.458 1.640 2.795 1.00 7.86 H new ATOM 0 HB3 ASN A 43 -10.310 1.571 1.051 1.00 7.86 H new ATOM 0 HD21 ASN A 43 -8.065 4.214 3.255 1.00 8.26 H new ATOM 0 HD22 ASN A 43 -9.316 3.206 3.990 1.00 8.26 H new ATOM 640 N PRO A 44 -12.700 4.740 0.319 1.00 5.79 N ATOM 641 CA PRO A 44 -12.839 5.521 -0.903 1.00 5.83 C ATOM 642 C PRO A 44 -11.861 6.689 -0.949 1.00 5.83 C ATOM 643 O PRO A 44 -11.908 7.512 -1.863 1.00 6.26 O ATOM 644 CB PRO A 44 -14.275 6.022 -0.794 1.00 5.35 C ATOM 645 CG PRO A 44 -14.476 6.246 0.667 1.00 4.82 C ATOM 646 CD PRO A 44 -13.605 5.234 1.380 1.00 5.18 C ATOM 0 HA PRO A 44 -12.629 4.948 -1.806 1.00 5.83 H new ATOM 0 HB2 PRO A 44 -14.420 6.941 -1.361 1.00 5.35 H new ATOM 0 HB3 PRO A 44 -14.982 5.291 -1.186 1.00 5.35 H new ATOM 0 HG2 PRO A 44 -14.198 7.262 0.946 1.00 4.82 H new ATOM 0 HG3 PRO A 44 -15.524 6.116 0.939 1.00 4.82 H new ATOM 0 HD2 PRO A 44 -13.050 5.690 2.199 1.00 5.18 H new ATOM 0 HD3 PRO A 44 -14.198 4.426 1.808 1.00 5.18 H new ATOM 654 N ASP A 45 -10.983 6.729 0.052 1.00 5.59 N ATOM 655 CA ASP A 45 -10.049 7.832 0.264 1.00 5.67 C ATOM 656 C ASP A 45 -10.784 9.166 0.353 1.00 5.46 C ATOM 657 O ASP A 45 -11.006 9.848 -0.648 1.00 5.44 O ATOM 658 CB ASP A 45 -8.971 7.883 -0.816 1.00 6.26 C ATOM 659 CG ASP A 45 -7.886 8.878 -0.474 1.00 6.73 C ATOM 660 OD1 ASP A 45 -7.773 9.247 0.716 1.00 6.98 O ATOM 661 OD2 ASP A 45 -7.124 9.271 -1.385 1.00 7.06 O ATOM 0 H ASP A 45 -10.900 5.987 0.747 1.00 5.59 H new ATOM 0 HA ASP A 45 -9.551 7.649 1.216 1.00 5.67 H new ATOM 0 HB2 ASP A 45 -8.532 6.893 -0.939 1.00 6.26 H new ATOM 0 HB3 ASP A 45 -9.424 8.152 -1.770 1.00 6.26 H new ATOM 666 N PRO A 46 -11.199 9.543 1.565 1.00 5.77 N ATOM 667 CA PRO A 46 -11.935 10.780 1.792 1.00 6.07 C ATOM 668 C PRO A 46 -11.027 11.999 1.878 1.00 6.28 C ATOM 669 O PRO A 46 -11.505 13.130 1.972 1.00 6.83 O ATOM 670 CB PRO A 46 -12.629 10.555 3.144 1.00 6.80 C ATOM 671 CG PRO A 46 -12.244 9.174 3.587 1.00 6.93 C ATOM 672 CD PRO A 46 -11.012 8.798 2.812 1.00 6.33 C ATOM 0 HA PRO A 46 -12.620 10.985 0.969 1.00 6.07 H new ATOM 0 HB2 PRO A 46 -12.312 11.300 3.873 1.00 6.80 H new ATOM 0 HB3 PRO A 46 -13.711 10.645 3.046 1.00 6.80 H new ATOM 0 HG2 PRO A 46 -12.048 9.152 4.659 1.00 6.93 H new ATOM 0 HG3 PRO A 46 -13.052 8.467 3.396 1.00 6.93 H new ATOM 0 HD2 PRO A 46 -10.099 9.091 3.330 1.00 6.33 H new ATOM 0 HD3 PRO A 46 -10.950 7.723 2.640 1.00 6.33 H new ATOM 680 N LEU A 47 -9.721 11.772 1.844 1.00 6.19 N ATOM 681 CA LEU A 47 -8.758 12.849 2.035 1.00 6.74 C ATOM 682 C LEU A 47 -7.686 12.830 0.946 1.00 6.79 C ATOM 683 O LEU A 47 -7.669 13.695 0.068 1.00 7.54 O ATOM 684 CB LEU A 47 -8.092 12.729 3.414 1.00 7.04 C ATOM 685 CG LEU A 47 -9.046 12.697 4.615 1.00 7.00 C ATOM 686 CD1 LEU A 47 -8.270 12.487 5.907 1.00 6.92 C ATOM 687 CD2 LEU A 47 -9.853 13.984 4.690 1.00 7.53 C ATOM 0 H LEU A 47 -9.304 10.854 1.686 1.00 6.19 H new ATOM 0 HA LEU A 47 -9.298 13.794 1.973 1.00 6.74 H new ATOM 0 HB2 LEU A 47 -7.490 11.821 3.428 1.00 7.04 H new ATOM 0 HB3 LEU A 47 -7.407 13.568 3.540 1.00 7.04 H new ATOM 0 HG LEU A 47 -9.734 11.862 4.483 1.00 7.00 H new ATOM 0 HD11 LEU A 47 -8.963 12.467 6.748 1.00 6.92 H new ATOM 0 HD12 LEU A 47 -7.731 11.541 5.858 1.00 6.92 H new ATOM 0 HD13 LEU A 47 -7.560 13.303 6.041 1.00 6.92 H new ATOM 0 HD21 LEU A 47 -10.524 13.943 5.548 1.00 7.53 H new ATOM 0 HD22 LEU A 47 -9.177 14.832 4.798 1.00 7.53 H new ATOM 0 HD23 LEU A 47 -10.438 14.101 3.777 1.00 7.53 H new ATOM 699 N ALA A 48 -6.821 11.817 1.014 1.00 6.28 N ATOM 700 CA ALA A 48 -5.653 11.674 0.138 1.00 6.64 C ATOM 701 C ALA A 48 -4.761 10.577 0.702 1.00 6.21 C ATOM 702 O ALA A 48 -4.138 9.799 -0.019 1.00 6.37 O ATOM 703 CB ALA A 48 -4.866 12.977 0.029 1.00 7.26 C ATOM 0 H ALA A 48 -6.912 11.059 1.690 1.00 6.28 H new ATOM 0 HA ALA A 48 -5.995 11.416 -0.864 1.00 6.64 H new ATOM 0 HB1 ALA A 48 -4.009 12.830 -0.628 1.00 7.26 H new ATOM 0 HB2 ALA A 48 -5.508 13.757 -0.381 1.00 7.26 H new ATOM 0 HB3 ALA A 48 -4.518 13.276 1.018 1.00 7.26 H new ATOM 709 N THR A 49 -4.707 10.541 2.023 1.00 5.97 N ATOM 710 CA THR A 49 -3.999 9.513 2.761 1.00 5.78 C ATOM 711 C THR A 49 -4.610 9.431 4.147 1.00 5.51 C ATOM 712 O THR A 49 -5.329 8.491 4.470 1.00 5.78 O ATOM 713 CB THR A 49 -2.485 9.812 2.903 1.00 5.98 C ATOM 714 OG1 THR A 49 -1.917 10.128 1.625 1.00 6.42 O ATOM 715 CG2 THR A 49 -1.754 8.617 3.494 1.00 6.50 C ATOM 0 H THR A 49 -5.160 11.234 2.619 1.00 5.97 H new ATOM 0 HA THR A 49 -4.094 8.576 2.212 1.00 5.78 H new ATOM 0 HB THR A 49 -2.373 10.665 3.572 1.00 5.98 H new ATOM 0 HG1 THR A 49 -0.961 10.316 1.729 1.00 6.42 H new ATOM 0 HG21 THR A 49 -0.693 8.848 3.585 1.00 6.50 H new ATOM 0 HG22 THR A 49 -2.162 8.392 4.479 1.00 6.50 H new ATOM 0 HG23 THR A 49 -1.882 7.753 2.842 1.00 6.50 H new ATOM 723 N GLU A 50 -4.337 10.468 4.935 1.00 5.40 N ATOM 724 CA GLU A 50 -4.885 10.616 6.276 1.00 5.68 C ATOM 725 C GLU A 50 -4.220 11.805 6.944 1.00 5.52 C ATOM 726 O GLU A 50 -4.866 12.788 7.296 1.00 5.73 O ATOM 727 CB GLU A 50 -4.650 9.367 7.132 1.00 6.30 C ATOM 728 CG GLU A 50 -5.474 9.354 8.403 1.00 7.02 C ATOM 729 CD GLU A 50 -5.130 8.198 9.316 1.00 8.02 C ATOM 730 OE1 GLU A 50 -4.353 7.311 8.898 1.00 8.59 O ATOM 731 OE2 GLU A 50 -5.616 8.185 10.468 1.00 8.40 O ATOM 0 H GLU A 50 -3.724 11.234 4.656 1.00 5.40 H new ATOM 0 HA GLU A 50 -5.961 10.764 6.189 1.00 5.68 H new ATOM 0 HB2 GLU A 50 -4.887 8.481 6.543 1.00 6.30 H new ATOM 0 HB3 GLU A 50 -3.593 9.305 7.391 1.00 6.30 H new ATOM 0 HG2 GLU A 50 -5.321 10.291 8.938 1.00 7.02 H new ATOM 0 HG3 GLU A 50 -6.532 9.303 8.144 1.00 7.02 H new ATOM 738 N GLU A 51 -2.908 11.702 7.087 1.00 5.43 N ATOM 739 CA GLU A 51 -2.120 12.712 7.764 1.00 5.45 C ATOM 740 C GLU A 51 -1.525 13.723 6.796 1.00 5.48 C ATOM 741 O GLU A 51 -1.880 14.902 6.822 1.00 5.85 O ATOM 742 CB GLU A 51 -1.011 12.029 8.559 1.00 5.47 C ATOM 743 CG GLU A 51 -0.383 10.847 7.835 1.00 6.03 C ATOM 744 CD GLU A 51 0.557 10.063 8.718 1.00 6.79 C ATOM 745 OE1 GLU A 51 0.075 9.206 9.487 1.00 7.46 O ATOM 746 OE2 GLU A 51 1.778 10.302 8.646 1.00 6.93 O ATOM 0 H GLU A 51 -2.362 10.915 6.736 1.00 5.43 H new ATOM 0 HA GLU A 51 -2.780 13.264 8.434 1.00 5.45 H new ATOM 0 HB2 GLU A 51 -0.235 12.760 8.786 1.00 5.47 H new ATOM 0 HB3 GLU A 51 -1.416 11.688 9.512 1.00 5.47 H new ATOM 0 HG2 GLU A 51 -1.171 10.187 7.472 1.00 6.03 H new ATOM 0 HG3 GLU A 51 0.160 11.207 6.961 1.00 6.03 H new ATOM 753 N VAL A 52 -0.620 13.250 5.940 1.00 5.42 N ATOM 754 CA VAL A 52 0.135 14.111 5.034 1.00 5.86 C ATOM 755 C VAL A 52 0.950 15.135 5.835 1.00 6.11 C ATOM 756 O VAL A 52 0.606 16.315 5.906 1.00 6.55 O ATOM 757 CB VAL A 52 -0.784 14.836 4.014 1.00 6.43 C ATOM 758 CG1 VAL A 52 0.029 15.625 2.994 1.00 6.99 C ATOM 759 CG2 VAL A 52 -1.706 13.842 3.311 1.00 6.80 C ATOM 0 H VAL A 52 -0.391 12.260 5.856 1.00 5.42 H new ATOM 0 HA VAL A 52 0.812 13.473 4.465 1.00 5.86 H new ATOM 0 HB VAL A 52 -1.399 15.543 4.571 1.00 6.43 H new ATOM 0 HG11 VAL A 52 -0.646 16.120 2.295 1.00 6.99 H new ATOM 0 HG12 VAL A 52 0.631 16.374 3.509 1.00 6.99 H new ATOM 0 HG13 VAL A 52 0.684 14.946 2.447 1.00 6.99 H new ATOM 0 HG21 VAL A 52 -2.340 14.373 2.601 1.00 6.80 H new ATOM 0 HG22 VAL A 52 -1.107 13.103 2.779 1.00 6.80 H new ATOM 0 HG23 VAL A 52 -2.330 13.339 4.050 1.00 6.80 H new ATOM 769 N PRO A 53 2.023 14.674 6.499 1.00 6.09 N ATOM 770 CA PRO A 53 2.864 15.543 7.321 1.00 6.51 C ATOM 771 C PRO A 53 3.790 16.417 6.483 1.00 6.99 C ATOM 772 O PRO A 53 3.721 17.645 6.530 1.00 7.85 O ATOM 773 CB PRO A 53 3.670 14.557 8.171 1.00 6.60 C ATOM 774 CG PRO A 53 3.729 13.302 7.364 1.00 6.37 C ATOM 775 CD PRO A 53 2.483 13.268 6.519 1.00 6.00 C ATOM 0 HA PRO A 53 2.274 16.246 7.909 1.00 6.51 H new ATOM 0 HB2 PRO A 53 4.669 14.940 8.377 1.00 6.60 H new ATOM 0 HB3 PRO A 53 3.190 14.384 9.134 1.00 6.60 H new ATOM 0 HG2 PRO A 53 4.621 13.287 6.738 1.00 6.37 H new ATOM 0 HG3 PRO A 53 3.780 12.428 8.013 1.00 6.37 H new ATOM 0 HD2 PRO A 53 2.693 12.903 5.514 1.00 6.00 H new ATOM 0 HD3 PRO A 53 1.729 12.608 6.947 1.00 6.00 H new ATOM 783 N ASN A 54 4.632 15.774 5.688 1.00 6.65 N ATOM 784 CA ASN A 54 5.620 16.480 4.880 1.00 7.32 C ATOM 785 C ASN A 54 5.187 16.540 3.422 1.00 7.87 C ATOM 786 O ASN A 54 6.012 16.735 2.532 1.00 8.62 O ATOM 787 CB ASN A 54 6.998 15.819 4.997 1.00 7.53 C ATOM 788 CG ASN A 54 6.980 14.319 4.750 1.00 7.80 C ATOM 789 OD1 ASN A 54 6.115 13.792 4.050 1.00 7.76 O ATOM 790 ND2 ASN A 54 7.955 13.624 5.315 1.00 8.37 N ATOM 0 H ASN A 54 4.652 14.760 5.584 1.00 6.65 H new ATOM 0 HA ASN A 54 5.693 17.499 5.261 1.00 7.32 H new ATOM 0 HB2 ASN A 54 7.677 16.287 4.285 1.00 7.53 H new ATOM 0 HB3 ASN A 54 7.399 16.009 5.992 1.00 7.53 H new ATOM 0 HD21 ASN A 54 8.008 12.615 5.177 1.00 8.37 H new ATOM 0 HD22 ASN A 54 8.653 14.098 5.888 1.00 8.37 H new ATOM 797 N GLN A 55 3.881 16.401 3.203 1.00 7.71 N ATOM 798 CA GLN A 55 3.280 16.466 1.865 1.00 8.46 C ATOM 799 C GLN A 55 3.862 15.416 0.923 1.00 8.71 C ATOM 800 O GLN A 55 3.413 14.271 0.915 1.00 9.31 O ATOM 801 CB GLN A 55 3.405 17.872 1.251 1.00 9.37 C ATOM 802 CG GLN A 55 2.482 18.901 1.889 1.00 9.49 C ATOM 803 CD GLN A 55 2.938 19.349 3.263 1.00 9.90 C ATOM 804 OE1 GLN A 55 4.245 19.507 3.442 1.00 10.49 O flip ATOM 805 NE2 GLN A 55 2.123 19.589 4.151 1.00 9.79 N flip ATOM 0 H GLN A 55 3.204 16.239 3.949 1.00 7.71 H new ATOM 0 HA GLN A 55 2.220 16.246 1.992 1.00 8.46 H new ATOM 0 HB2 GLN A 55 4.436 18.211 1.349 1.00 9.37 H new ATOM 0 HB3 GLN A 55 3.188 17.814 0.184 1.00 9.37 H new ATOM 0 HG2 GLN A 55 2.413 19.771 1.236 1.00 9.49 H new ATOM 0 HG3 GLN A 55 1.479 18.480 1.966 1.00 9.49 H new ATOM 0 HE21 GLN A 55 1.127 19.456 3.978 1.00 9.79 H new ATOM 0 HE22 GLN A 55 2.443 19.921 5.061 1.00 9.79 H new ATOM 814 N GLU A 56 4.864 15.792 0.138 1.00 8.44 N ATOM 815 CA GLU A 56 5.480 14.861 -0.793 1.00 8.86 C ATOM 816 C GLU A 56 6.875 14.468 -0.311 1.00 8.25 C ATOM 817 O GLU A 56 7.883 14.844 -0.910 1.00 8.21 O ATOM 818 CB GLU A 56 5.536 15.446 -2.211 1.00 9.28 C ATOM 819 CG GLU A 56 6.087 14.477 -3.248 1.00 10.30 C ATOM 820 CD GLU A 56 6.122 15.056 -4.646 1.00 10.82 C ATOM 821 OE1 GLU A 56 6.417 16.263 -4.801 1.00 11.15 O ATOM 822 OE2 GLU A 56 5.849 14.307 -5.605 1.00 11.07 O ATOM 0 H GLU A 56 5.264 16.730 0.129 1.00 8.44 H new ATOM 0 HA GLU A 56 4.862 13.964 -0.831 1.00 8.86 H new ATOM 0 HB2 GLU A 56 4.533 15.752 -2.509 1.00 9.28 H new ATOM 0 HB3 GLU A 56 6.154 16.344 -2.201 1.00 9.28 H new ATOM 0 HG2 GLU A 56 7.095 14.181 -2.959 1.00 10.30 H new ATOM 0 HG3 GLU A 56 5.478 13.573 -3.251 1.00 10.30 H new ATOM 829 N GLN A 57 6.901 13.747 0.813 1.00 8.02 N ATOM 830 CA GLN A 57 8.124 13.190 1.384 1.00 7.71 C ATOM 831 C GLN A 57 9.279 14.192 1.403 1.00 6.84 C ATOM 832 O GLN A 57 10.198 14.118 0.583 1.00 6.77 O ATOM 833 CB GLN A 57 8.530 11.923 0.634 1.00 8.64 C ATOM 834 CG GLN A 57 7.434 10.872 0.584 1.00 9.62 C ATOM 835 CD GLN A 57 7.881 9.591 -0.094 1.00 10.46 C ATOM 836 OE1 GLN A 57 9.158 9.270 0.025 1.00 10.72 O flip ATOM 837 NE2 GLN A 57 7.077 8.883 -0.704 1.00 11.09 N flip ATOM 0 H GLN A 57 6.064 13.533 1.355 1.00 8.02 H new ATOM 0 HA GLN A 57 7.905 12.943 2.423 1.00 7.71 H new ATOM 0 HB2 GLN A 57 8.815 12.188 -0.384 1.00 8.64 H new ATOM 0 HB3 GLN A 57 9.412 11.495 1.111 1.00 8.64 H new ATOM 0 HG2 GLN A 57 7.107 10.646 1.599 1.00 9.62 H new ATOM 0 HG3 GLN A 57 6.572 11.277 0.054 1.00 9.62 H new ATOM 0 HE21 GLN A 57 6.099 9.165 -0.774 1.00 11.09 H new ATOM 0 HE22 GLN A 57 7.389 8.015 -1.139 1.00 11.09 H new ATOM 846 N ILE A 58 9.223 15.129 2.338 1.00 6.43 N ATOM 847 CA ILE A 58 10.271 16.128 2.490 1.00 5.79 C ATOM 848 C ILE A 58 11.142 15.807 3.704 1.00 5.74 C ATOM 849 O ILE A 58 10.767 16.101 4.840 1.00 5.48 O ATOM 850 CB ILE A 58 9.677 17.549 2.636 1.00 5.36 C ATOM 851 CG1 ILE A 58 8.820 17.908 1.417 1.00 5.76 C ATOM 852 CG2 ILE A 58 10.779 18.582 2.831 1.00 5.36 C ATOM 853 CD1 ILE A 58 9.582 17.899 0.110 1.00 6.29 C ATOM 0 H ILE A 58 8.458 15.219 3.007 1.00 6.43 H new ATOM 0 HA ILE A 58 10.884 16.102 1.589 1.00 5.79 H new ATOM 0 HB ILE A 58 9.040 17.556 3.521 1.00 5.36 H new ATOM 0 HG12 ILE A 58 7.991 17.204 1.348 1.00 5.76 H new ATOM 0 HG13 ILE A 58 8.387 18.897 1.568 1.00 5.76 H new ATOM 0 HG21 ILE A 58 10.336 19.573 2.931 1.00 5.36 H new ATOM 0 HG22 ILE A 58 11.345 18.345 3.732 1.00 5.36 H new ATOM 0 HG23 ILE A 58 11.447 18.569 1.970 1.00 5.36 H new ATOM 0 HD11 ILE A 58 8.909 18.163 -0.706 1.00 6.29 H new ATOM 0 HD12 ILE A 58 10.395 18.623 0.158 1.00 6.29 H new ATOM 0 HD13 ILE A 58 9.992 16.904 -0.065 1.00 6.29 H new ATOM 865 N PRO A 59 12.302 15.170 3.482 1.00 6.40 N ATOM 866 CA PRO A 59 13.239 14.866 4.550 1.00 6.85 C ATOM 867 C PRO A 59 14.207 16.018 4.810 1.00 6.63 C ATOM 868 O PRO A 59 14.879 16.064 5.840 1.00 7.28 O ATOM 869 CB PRO A 59 13.983 13.650 4.010 1.00 7.95 C ATOM 870 CG PRO A 59 13.987 13.828 2.526 1.00 8.02 C ATOM 871 CD PRO A 59 12.778 14.670 2.178 1.00 7.12 C ATOM 0 HA PRO A 59 12.743 14.694 5.505 1.00 6.85 H new ATOM 0 HB2 PRO A 59 14.998 13.601 4.405 1.00 7.95 H new ATOM 0 HB3 PRO A 59 13.485 12.723 4.295 1.00 7.95 H new ATOM 0 HG2 PRO A 59 14.905 14.317 2.199 1.00 8.02 H new ATOM 0 HG3 PRO A 59 13.943 12.863 2.022 1.00 8.02 H new ATOM 0 HD2 PRO A 59 13.042 15.489 1.509 1.00 7.12 H new ATOM 0 HD3 PRO A 59 12.013 14.080 1.674 1.00 7.12 H new ATOM 879 N GLU A 60 14.259 16.959 3.879 1.00 5.93 N ATOM 880 CA GLU A 60 15.176 18.080 3.971 1.00 5.88 C ATOM 881 C GLU A 60 14.555 19.237 4.738 1.00 5.80 C ATOM 882 O GLU A 60 14.335 20.318 4.202 1.00 5.92 O ATOM 883 CB GLU A 60 15.629 18.509 2.576 1.00 5.78 C ATOM 884 CG GLU A 60 14.523 18.479 1.528 1.00 5.71 C ATOM 885 CD GLU A 60 15.052 18.612 0.113 1.00 6.20 C ATOM 886 OE1 GLU A 60 15.598 17.625 -0.420 1.00 6.61 O ATOM 887 OE2 GLU A 60 14.922 19.703 -0.481 1.00 6.44 O ATOM 0 H GLU A 60 13.671 16.966 3.046 1.00 5.93 H new ATOM 0 HA GLU A 60 16.056 17.762 4.529 1.00 5.88 H new ATOM 0 HB2 GLU A 60 16.035 19.519 2.632 1.00 5.78 H new ATOM 0 HB3 GLU A 60 16.440 17.857 2.252 1.00 5.78 H new ATOM 0 HG2 GLU A 60 13.969 17.545 1.618 1.00 5.71 H new ATOM 0 HG3 GLU A 60 13.819 19.287 1.726 1.00 5.71 H new ATOM 894 N GLU A 61 14.240 18.973 5.996 1.00 5.98 N ATOM 895 CA GLU A 61 13.825 20.017 6.916 1.00 6.40 C ATOM 896 C GLU A 61 15.028 20.903 7.224 1.00 6.67 C ATOM 897 O GLU A 61 15.036 22.099 6.935 1.00 7.45 O ATOM 898 CB GLU A 61 13.269 19.391 8.204 1.00 6.95 C ATOM 899 CG GLU A 61 12.926 20.391 9.298 1.00 7.52 C ATOM 900 CD GLU A 61 11.842 21.369 8.901 1.00 8.17 C ATOM 901 OE1 GLU A 61 10.783 20.929 8.406 1.00 8.32 O ATOM 902 OE2 GLU A 61 12.042 22.588 9.096 1.00 8.72 O ATOM 0 H GLU A 61 14.265 18.038 6.404 1.00 5.98 H new ATOM 0 HA GLU A 61 13.037 20.621 6.466 1.00 6.40 H new ATOM 0 HB2 GLU A 61 12.373 18.821 7.958 1.00 6.95 H new ATOM 0 HB3 GLU A 61 14.001 18.683 8.593 1.00 6.95 H new ATOM 0 HG2 GLU A 61 12.607 19.849 10.188 1.00 7.52 H new ATOM 0 HG3 GLU A 61 13.825 20.946 9.567 1.00 7.52 H new ATOM 909 N GLY A 62 16.057 20.285 7.782 1.00 6.22 N ATOM 910 CA GLY A 62 17.302 20.981 8.036 1.00 6.69 C ATOM 911 C GLY A 62 18.273 20.147 8.849 1.00 6.92 C ATOM 912 O GLY A 62 19.172 20.676 9.503 1.00 7.40 O ATOM 0 H GLY A 62 16.052 19.305 8.066 1.00 6.22 H new ATOM 0 HA2 GLY A 62 17.765 21.251 7.087 1.00 6.69 H new ATOM 0 HA3 GLY A 62 17.094 21.911 8.565 1.00 6.69 H new ATOM 916 N PHE A 63 18.106 18.834 8.791 1.00 6.81 N ATOM 917 CA PHE A 63 18.939 17.925 9.562 1.00 7.27 C ATOM 918 C PHE A 63 19.762 17.051 8.629 1.00 6.90 C ATOM 919 O PHE A 63 19.712 15.824 8.709 1.00 7.34 O ATOM 920 CB PHE A 63 18.074 17.038 10.464 1.00 8.02 C ATOM 921 CG PHE A 63 17.116 17.809 11.317 1.00 7.85 C ATOM 922 CD1 PHE A 63 17.547 18.426 12.477 1.00 8.09 C ATOM 923 CD2 PHE A 63 15.788 17.929 10.948 1.00 7.70 C ATOM 924 CE1 PHE A 63 16.668 19.149 13.258 1.00 8.21 C ATOM 925 CE2 PHE A 63 14.908 18.654 11.720 1.00 7.74 C ATOM 926 CZ PHE A 63 15.345 19.264 12.874 1.00 8.00 C ATOM 0 H PHE A 63 17.400 18.374 8.217 1.00 6.81 H new ATOM 0 HA PHE A 63 19.608 18.518 10.185 1.00 7.27 H new ATOM 0 HB2 PHE A 63 17.514 16.339 9.843 1.00 8.02 H new ATOM 0 HB3 PHE A 63 18.724 16.444 11.107 1.00 8.02 H new ATOM 0 HD1 PHE A 63 18.582 18.341 12.775 1.00 8.09 H new ATOM 0 HD2 PHE A 63 15.438 17.449 10.046 1.00 7.70 H new ATOM 0 HE1 PHE A 63 17.012 19.623 14.165 1.00 8.21 H new ATOM 0 HE2 PHE A 63 13.874 18.744 11.420 1.00 7.74 H new ATOM 0 HZ PHE A 63 14.654 19.832 13.479 1.00 8.00 H new ATOM 936 N ILE A 64 20.496 17.684 7.726 1.00 6.31 N ATOM 937 CA ILE A 64 21.349 16.956 6.807 1.00 6.14 C ATOM 938 C ILE A 64 22.654 16.583 7.513 1.00 6.65 C ATOM 939 O ILE A 64 23.561 17.405 7.651 1.00 6.98 O ATOM 940 CB ILE A 64 21.654 17.761 5.511 1.00 5.61 C ATOM 941 CG1 ILE A 64 20.376 18.016 4.696 1.00 5.10 C ATOM 942 CG2 ILE A 64 22.667 17.022 4.654 1.00 5.86 C ATOM 943 CD1 ILE A 64 19.481 19.096 5.261 1.00 5.02 C ATOM 0 H ILE A 64 20.516 18.697 7.612 1.00 6.31 H new ATOM 0 HA ILE A 64 20.815 16.056 6.503 1.00 6.14 H new ATOM 0 HB ILE A 64 22.068 18.724 5.811 1.00 5.61 H new ATOM 0 HG12 ILE A 64 20.657 18.289 3.679 1.00 5.10 H new ATOM 0 HG13 ILE A 64 19.809 17.087 4.632 1.00 5.10 H new ATOM 0 HG21 ILE A 64 22.869 17.598 3.751 1.00 5.86 H new ATOM 0 HG22 ILE A 64 23.592 16.891 5.216 1.00 5.86 H new ATOM 0 HG23 ILE A 64 22.268 16.046 4.379 1.00 5.86 H new ATOM 0 HD11 ILE A 64 18.603 19.211 4.625 1.00 5.02 H new ATOM 0 HD12 ILE A 64 19.166 18.818 6.267 1.00 5.02 H new ATOM 0 HD13 ILE A 64 20.027 20.038 5.299 1.00 5.02 H new ATOM 955 N HIS A 65 22.722 15.351 8.003 1.00 6.99 N ATOM 956 CA HIS A 65 23.903 14.880 8.715 1.00 7.71 C ATOM 957 C HIS A 65 24.929 14.351 7.738 1.00 7.41 C ATOM 958 O HIS A 65 25.996 14.935 7.564 1.00 7.99 O ATOM 959 CB HIS A 65 23.536 13.785 9.718 1.00 8.57 C ATOM 960 CG HIS A 65 22.590 14.232 10.789 1.00 9.17 C ATOM 961 ND1 HIS A 65 21.226 14.052 10.707 1.00 9.64 N ATOM 962 CD2 HIS A 65 22.814 14.841 11.981 1.00 9.60 C ATOM 963 CE1 HIS A 65 20.654 14.533 11.796 1.00 10.31 C ATOM 964 NE2 HIS A 65 21.593 15.017 12.586 1.00 10.28 N ATOM 0 H HIS A 65 21.975 14.662 7.921 1.00 6.99 H new ATOM 0 HA HIS A 65 24.326 15.724 9.260 1.00 7.71 H new ATOM 0 HB2 HIS A 65 23.090 12.948 9.180 1.00 8.57 H new ATOM 0 HB3 HIS A 65 24.448 13.414 10.185 1.00 8.57 H new ATOM 0 HD2 HIS A 65 23.774 15.133 12.380 1.00 9.60 H new ATOM 0 HE1 HIS A 65 19.594 14.530 12.005 1.00 10.31 H new ATOM 0 HE2 HIS A 65 21.438 15.451 13.496 1.00 10.28 H new ATOM 973 N THR A 66 24.582 13.235 7.110 1.00 6.67 N ATOM 974 CA THR A 66 25.399 12.586 6.083 1.00 6.47 C ATOM 975 C THR A 66 26.831 12.315 6.559 1.00 6.60 C ATOM 976 O THR A 66 27.762 12.227 5.756 1.00 6.62 O ATOM 977 CB THR A 66 25.412 13.390 4.758 1.00 6.64 C ATOM 978 OG1 THR A 66 25.793 14.756 4.978 1.00 7.18 O ATOM 979 CG2 THR A 66 24.044 13.350 4.090 1.00 6.82 C ATOM 0 H THR A 66 23.709 12.743 7.301 1.00 6.67 H new ATOM 0 HA THR A 66 24.927 11.622 5.890 1.00 6.47 H new ATOM 0 HB THR A 66 26.148 12.923 4.104 1.00 6.64 H new ATOM 0 HG1 THR A 66 26.211 14.841 5.860 1.00 7.18 H new ATOM 0 HG21 THR A 66 24.076 13.921 3.162 1.00 6.82 H new ATOM 0 HG22 THR A 66 23.776 12.316 3.872 1.00 6.82 H new ATOM 0 HG23 THR A 66 23.300 13.785 4.758 1.00 6.82 H new ATOM 987 N GLN A 67 26.993 12.129 7.866 1.00 6.89 N ATOM 988 CA GLN A 67 28.293 11.777 8.422 1.00 7.37 C ATOM 989 C GLN A 67 28.590 10.312 8.119 1.00 7.24 C ATOM 990 O GLN A 67 29.739 9.877 8.145 1.00 7.66 O ATOM 991 CB GLN A 67 28.332 12.036 9.934 1.00 8.01 C ATOM 992 CG GLN A 67 29.719 11.871 10.541 1.00 8.35 C ATOM 993 CD GLN A 67 29.752 12.161 12.029 1.00 9.02 C ATOM 994 OE1 GLN A 67 29.571 11.266 12.854 1.00 9.58 O ATOM 995 NE2 GLN A 67 29.992 13.416 12.382 1.00 9.24 N ATOM 0 H GLN A 67 26.245 12.216 8.554 1.00 6.89 H new ATOM 0 HA GLN A 67 29.057 12.403 7.961 1.00 7.37 H new ATOM 0 HB2 GLN A 67 27.975 13.047 10.131 1.00 8.01 H new ATOM 0 HB3 GLN A 67 27.643 11.352 10.430 1.00 8.01 H new ATOM 0 HG2 GLN A 67 30.067 10.853 10.367 1.00 8.35 H new ATOM 0 HG3 GLN A 67 30.415 12.537 10.031 1.00 8.35 H new ATOM 0 HE21 GLN A 67 30.137 14.128 11.666 1.00 9.24 H new ATOM 0 HE22 GLN A 67 30.032 13.669 13.369 1.00 9.24 H new ATOM 1004 N TYR A 68 27.541 9.561 7.822 1.00 6.89 N ATOM 1005 CA TYR A 68 27.690 8.176 7.410 1.00 7.01 C ATOM 1006 C TYR A 68 27.882 8.110 5.898 1.00 6.55 C ATOM 1007 O TYR A 68 28.414 7.139 5.361 1.00 6.81 O ATOM 1008 CB TYR A 68 26.461 7.363 7.828 1.00 7.18 C ATOM 1009 CG TYR A 68 26.623 5.868 7.625 1.00 7.77 C ATOM 1010 CD1 TYR A 68 27.435 5.124 8.471 1.00 8.20 C ATOM 1011 CD2 TYR A 68 25.969 5.209 6.593 1.00 8.17 C ATOM 1012 CE1 TYR A 68 27.595 3.765 8.293 1.00 8.96 C ATOM 1013 CE2 TYR A 68 26.126 3.845 6.408 1.00 8.94 C ATOM 1014 CZ TYR A 68 26.938 3.128 7.262 1.00 9.31 C ATOM 1015 OH TYR A 68 27.095 1.766 7.095 1.00 10.22 O ATOM 0 H TYR A 68 26.576 9.889 7.859 1.00 6.89 H new ATOM 0 HA TYR A 68 28.566 7.749 7.899 1.00 7.01 H new ATOM 0 HB2 TYR A 68 26.248 7.557 8.879 1.00 7.18 H new ATOM 0 HB3 TYR A 68 25.598 7.707 7.259 1.00 7.18 H new ATOM 0 HD1 TYR A 68 27.950 5.617 9.282 1.00 8.20 H new ATOM 0 HD2 TYR A 68 25.329 5.767 5.925 1.00 8.17 H new ATOM 0 HE1 TYR A 68 28.233 3.203 8.959 1.00 8.96 H new ATOM 0 HE2 TYR A 68 25.615 3.345 5.599 1.00 8.94 H new ATOM 0 HH TYR A 68 26.566 1.468 6.326 1.00 10.22 H new ATOM 1025 N GLY A 69 27.470 9.173 5.228 1.00 6.15 N ATOM 1026 CA GLY A 69 27.542 9.223 3.784 1.00 6.07 C ATOM 1027 C GLY A 69 26.393 8.487 3.134 1.00 5.90 C ATOM 1028 O GLY A 69 25.238 8.667 3.525 1.00 5.61 O ATOM 0 H GLY A 69 27.083 10.010 5.663 1.00 6.15 H new ATOM 0 HA2 GLY A 69 27.538 10.263 3.457 1.00 6.07 H new ATOM 0 HA3 GLY A 69 28.485 8.788 3.453 1.00 6.07 H new ATOM 1032 N GLN A 70 26.722 7.657 2.151 1.00 6.45 N ATOM 1033 CA GLN A 70 25.744 6.863 1.416 1.00 6.69 C ATOM 1034 C GLN A 70 24.683 7.735 0.755 1.00 6.71 C ATOM 1035 O GLN A 70 23.532 7.786 1.188 1.00 7.25 O ATOM 1036 CB GLN A 70 25.095 5.801 2.311 1.00 7.70 C ATOM 1037 CG GLN A 70 26.072 4.736 2.787 1.00 8.32 C ATOM 1038 CD GLN A 70 26.797 4.041 1.644 1.00 9.06 C ATOM 1039 OE1 GLN A 70 26.145 3.923 0.494 1.00 9.52 O flip ATOM 1040 NE2 GLN A 70 27.941 3.610 1.796 1.00 9.42 N flip ATOM 0 H GLN A 70 27.683 7.515 1.839 1.00 6.45 H new ATOM 0 HA GLN A 70 26.288 6.349 0.623 1.00 6.69 H new ATOM 0 HB2 GLN A 70 24.650 6.289 3.178 1.00 7.70 H new ATOM 0 HB3 GLN A 70 24.284 5.321 1.764 1.00 7.70 H new ATOM 0 HG2 GLN A 70 26.806 5.194 3.450 1.00 8.32 H new ATOM 0 HG3 GLN A 70 25.533 3.992 3.374 1.00 8.32 H new ATOM 0 HE21 GLN A 70 28.412 3.719 2.694 1.00 9.42 H new ATOM 0 HE22 GLN A 70 28.418 3.145 1.023 1.00 9.42 H new ATOM 1049 N LYS A 71 25.105 8.446 -0.277 1.00 6.35 N ATOM 1050 CA LYS A 71 24.194 9.204 -1.124 1.00 6.54 C ATOM 1051 C LYS A 71 24.437 8.976 -2.636 1.00 6.34 C ATOM 1052 O LYS A 71 23.515 9.173 -3.422 1.00 6.36 O ATOM 1053 CB LYS A 71 24.224 10.704 -0.792 1.00 6.82 C ATOM 1054 CG LYS A 71 25.590 11.377 -0.898 1.00 6.50 C ATOM 1055 CD LYS A 71 26.499 11.027 0.274 1.00 6.36 C ATOM 1056 CE LYS A 71 27.689 11.969 0.362 1.00 6.74 C ATOM 1057 NZ LYS A 71 27.273 13.384 0.557 1.00 6.51 N ATOM 0 H LYS A 71 26.085 8.515 -0.552 1.00 6.35 H new ATOM 0 HA LYS A 71 23.198 8.821 -0.902 1.00 6.54 H new ATOM 0 HB2 LYS A 71 23.533 11.219 -1.459 1.00 6.82 H new ATOM 0 HB3 LYS A 71 23.850 10.841 0.223 1.00 6.82 H new ATOM 0 HG2 LYS A 71 26.070 11.076 -1.829 1.00 6.50 H new ATOM 0 HG3 LYS A 71 25.458 12.458 -0.942 1.00 6.50 H new ATOM 0 HD2 LYS A 71 25.930 11.072 1.202 1.00 6.36 H new ATOM 0 HD3 LYS A 71 26.853 10.002 0.167 1.00 6.36 H new ATOM 0 HE2 LYS A 71 28.331 11.664 1.188 1.00 6.74 H new ATOM 0 HE3 LYS A 71 28.282 11.889 -0.549 1.00 6.74 H new ATOM 0 HZ1 LYS A 71 28.059 13.922 0.975 1.00 6.51 H new ATOM 0 HZ2 LYS A 71 27.017 13.800 -0.361 1.00 6.51 H new ATOM 0 HZ3 LYS A 71 26.452 13.420 1.194 1.00 6.51 H new ATOM 1071 N PRO A 72 25.671 8.610 -3.098 1.00 6.47 N ATOM 1072 CA PRO A 72 25.900 8.245 -4.495 1.00 6.58 C ATOM 1073 C PRO A 72 25.894 6.728 -4.721 1.00 6.47 C ATOM 1074 O PRO A 72 26.215 6.255 -5.814 1.00 6.74 O ATOM 1075 CB PRO A 72 27.293 8.822 -4.763 1.00 7.14 C ATOM 1076 CG PRO A 72 27.991 8.832 -3.435 1.00 7.24 C ATOM 1077 CD PRO A 72 26.948 8.585 -2.367 1.00 6.89 C ATOM 0 HA PRO A 72 25.119 8.623 -5.155 1.00 6.58 H new ATOM 0 HB2 PRO A 72 27.836 8.214 -5.486 1.00 7.14 H new ATOM 0 HB3 PRO A 72 27.227 9.828 -5.178 1.00 7.14 H new ATOM 0 HG2 PRO A 72 28.762 8.062 -3.402 1.00 7.24 H new ATOM 0 HG3 PRO A 72 28.488 9.788 -3.271 1.00 7.24 H new ATOM 0 HD2 PRO A 72 27.105 7.627 -1.871 1.00 6.89 H new ATOM 0 HD3 PRO A 72 26.980 9.353 -1.594 1.00 6.89 H new ATOM 1085 N GLU A 73 25.508 5.985 -3.681 1.00 6.33 N ATOM 1086 CA GLU A 73 25.489 4.517 -3.699 1.00 6.45 C ATOM 1087 C GLU A 73 26.848 3.921 -4.057 1.00 6.01 C ATOM 1088 O GLU A 73 27.713 3.771 -3.195 1.00 5.68 O ATOM 1089 CB GLU A 73 24.425 3.967 -4.659 1.00 6.92 C ATOM 1090 CG GLU A 73 22.997 4.106 -4.162 1.00 7.38 C ATOM 1091 CD GLU A 73 22.523 5.537 -4.126 1.00 7.92 C ATOM 1092 OE1 GLU A 73 21.998 6.010 -5.155 1.00 8.11 O ATOM 1093 OE2 GLU A 73 22.664 6.192 -3.073 1.00 8.39 O ATOM 0 H GLU A 73 25.197 6.386 -2.796 1.00 6.33 H new ATOM 0 HA GLU A 73 25.237 4.216 -2.682 1.00 6.45 H new ATOM 0 HB2 GLU A 73 24.515 4.482 -5.615 1.00 6.92 H new ATOM 0 HB3 GLU A 73 24.631 2.913 -4.844 1.00 6.92 H new ATOM 0 HG2 GLU A 73 22.336 3.526 -4.806 1.00 7.38 H new ATOM 0 HG3 GLU A 73 22.923 3.679 -3.162 1.00 7.38 H new ATOM 1100 N GLN A 74 27.017 3.617 -5.343 1.00 6.31 N ATOM 1101 CA GLN A 74 28.166 2.865 -5.850 1.00 6.22 C ATOM 1102 C GLN A 74 28.327 1.537 -5.104 1.00 6.34 C ATOM 1103 O GLN A 74 29.145 1.416 -4.196 1.00 6.32 O ATOM 1104 CB GLN A 74 29.463 3.686 -5.779 1.00 6.38 C ATOM 1105 CG GLN A 74 30.671 2.936 -6.328 1.00 6.83 C ATOM 1106 CD GLN A 74 31.925 3.781 -6.398 1.00 7.20 C ATOM 1107 OE1 GLN A 74 32.125 4.705 -5.610 1.00 7.16 O ATOM 1108 NE2 GLN A 74 32.786 3.457 -7.346 1.00 7.82 N ATOM 0 H GLN A 74 26.355 3.888 -6.070 1.00 6.31 H new ATOM 0 HA GLN A 74 27.970 2.649 -6.900 1.00 6.22 H new ATOM 0 HB2 GLN A 74 29.332 4.612 -6.339 1.00 6.38 H new ATOM 0 HB3 GLN A 74 29.655 3.964 -4.743 1.00 6.38 H new ATOM 0 HG2 GLN A 74 30.864 2.065 -5.701 1.00 6.83 H new ATOM 0 HG3 GLN A 74 30.436 2.565 -7.326 1.00 6.83 H new ATOM 0 HE21 GLN A 74 32.581 2.683 -7.978 1.00 7.82 H new ATOM 0 HE22 GLN A 74 33.656 3.980 -7.445 1.00 7.82 H new ATOM 1117 N PRO A 75 27.512 0.527 -5.457 1.00 6.73 N ATOM 1118 CA PRO A 75 27.601 -0.810 -4.869 1.00 7.11 C ATOM 1119 C PRO A 75 28.687 -1.662 -5.526 1.00 7.12 C ATOM 1120 O PRO A 75 28.918 -2.807 -5.135 1.00 7.46 O ATOM 1121 CB PRO A 75 26.218 -1.425 -5.136 1.00 7.79 C ATOM 1122 CG PRO A 75 25.424 -0.380 -5.859 1.00 7.64 C ATOM 1123 CD PRO A 75 26.407 0.610 -6.414 1.00 7.09 C ATOM 0 HA PRO A 75 27.864 -0.764 -3.812 1.00 7.11 H new ATOM 0 HB2 PRO A 75 26.305 -2.331 -5.736 1.00 7.79 H new ATOM 0 HB3 PRO A 75 25.731 -1.706 -4.202 1.00 7.79 H new ATOM 0 HG2 PRO A 75 24.834 -0.828 -6.659 1.00 7.64 H new ATOM 0 HG3 PRO A 75 24.724 0.109 -5.182 1.00 7.64 H new ATOM 0 HD2 PRO A 75 26.723 0.346 -7.423 1.00 7.09 H new ATOM 0 HD3 PRO A 75 25.987 1.615 -6.464 1.00 7.09 H new ATOM 1131 N SER A 76 29.332 -1.106 -6.540 1.00 7.00 N ATOM 1132 CA SER A 76 30.369 -1.818 -7.270 1.00 7.24 C ATOM 1133 C SER A 76 31.752 -1.415 -6.773 1.00 7.24 C ATOM 1134 O SER A 76 32.318 -0.418 -7.224 1.00 7.02 O ATOM 1135 CB SER A 76 30.239 -1.546 -8.771 1.00 7.66 C ATOM 1136 OG SER A 76 30.145 -0.154 -9.022 1.00 7.89 O ATOM 0 H SER A 76 29.154 -0.160 -6.877 1.00 7.00 H new ATOM 0 HA SER A 76 30.243 -2.887 -7.095 1.00 7.24 H new ATOM 0 HB2 SER A 76 31.101 -1.958 -9.296 1.00 7.66 H new ATOM 0 HB3 SER A 76 29.356 -2.051 -9.162 1.00 7.66 H new ATOM 0 HG SER A 76 30.839 0.317 -8.515 1.00 7.89 H new ATOM 1142 N GLY A 77 32.267 -2.179 -5.820 1.00 7.81 N ATOM 1143 CA GLY A 77 33.588 -1.913 -5.280 1.00 8.19 C ATOM 1144 C GLY A 77 33.673 -0.571 -4.573 1.00 8.67 C ATOM 1145 O GLY A 77 32.808 -0.233 -3.765 1.00 9.39 O ATOM 0 H GLY A 77 31.792 -2.982 -5.409 1.00 7.81 H new ATOM 0 HA2 GLY A 77 33.856 -2.705 -4.581 1.00 8.19 H new ATOM 0 HA3 GLY A 77 34.319 -1.940 -6.088 1.00 8.19 H new ATOM 1149 N ALA A 78 34.718 0.189 -4.881 1.00 8.46 N ATOM 1150 CA ALA A 78 34.927 1.503 -4.284 1.00 9.08 C ATOM 1151 C ALA A 78 35.853 2.330 -5.165 1.00 9.03 C ATOM 1152 O ALA A 78 36.864 1.816 -5.652 1.00 8.98 O ATOM 1153 CB ALA A 78 35.506 1.370 -2.879 1.00 9.36 C ATOM 0 H ALA A 78 35.440 -0.086 -5.547 1.00 8.46 H new ATOM 0 HA ALA A 78 33.965 2.010 -4.208 1.00 9.08 H new ATOM 0 HB1 ALA A 78 35.654 2.362 -2.451 1.00 9.36 H new ATOM 0 HB2 ALA A 78 34.816 0.804 -2.253 1.00 9.36 H new ATOM 0 HB3 ALA A 78 36.462 0.849 -2.927 1.00 9.36 H new ATOM 1159 N SER A 79 35.493 3.603 -5.368 1.00 9.25 N ATOM 1160 CA SER A 79 36.253 4.523 -6.225 1.00 9.45 C ATOM 1161 C SER A 79 36.074 4.152 -7.698 1.00 9.58 C ATOM 1162 O SER A 79 35.741 3.017 -8.026 1.00 9.90 O ATOM 1163 CB SER A 79 37.737 4.543 -5.841 1.00 9.59 C ATOM 1164 OG SER A 79 37.892 4.848 -4.466 1.00 9.83 O ATOM 0 H SER A 79 34.667 4.025 -4.943 1.00 9.25 H new ATOM 0 HA SER A 79 35.861 5.529 -6.073 1.00 9.45 H new ATOM 0 HB2 SER A 79 38.187 3.574 -6.057 1.00 9.59 H new ATOM 0 HB3 SER A 79 38.265 5.282 -6.445 1.00 9.59 H new ATOM 0 HG SER A 79 38.845 4.855 -4.238 1.00 9.83 H new ATOM 1170 N ALA A 80 36.273 5.117 -8.585 1.00 9.56 N ATOM 1171 CA ALA A 80 36.010 4.893 -10.002 1.00 9.88 C ATOM 1172 C ALA A 80 37.132 5.421 -10.884 1.00 9.90 C ATOM 1173 O ALA A 80 36.992 5.482 -12.104 1.00 10.21 O ATOM 1174 CB ALA A 80 34.690 5.545 -10.394 1.00 10.43 C ATOM 0 H ALA A 80 36.611 6.051 -8.354 1.00 9.56 H new ATOM 0 HA ALA A 80 35.951 3.816 -10.158 1.00 9.88 H new ATOM 0 HB1 ALA A 80 34.500 5.374 -11.454 1.00 10.43 H new ATOM 0 HB2 ALA A 80 33.881 5.112 -9.806 1.00 10.43 H new ATOM 0 HB3 ALA A 80 34.743 6.617 -10.204 1.00 10.43 H new ATOM 1180 N GLY A 81 38.247 5.789 -10.275 1.00 9.80 N ATOM 1181 CA GLY A 81 39.354 6.326 -11.043 1.00 10.04 C ATOM 1182 C GLY A 81 40.655 5.612 -10.778 1.00 10.12 C ATOM 1183 O GLY A 81 40.992 4.650 -11.469 1.00 10.38 O ATOM 0 H GLY A 81 38.407 5.727 -9.270 1.00 9.80 H new ATOM 0 HA2 GLY A 81 39.119 6.259 -12.105 1.00 10.04 H new ATOM 0 HA3 GLY A 81 39.472 7.384 -10.809 1.00 10.04 H new ATOM 1187 N HIS A 82 41.384 6.081 -9.773 1.00 10.09 N ATOM 1188 CA HIS A 82 42.673 5.498 -9.418 1.00 10.32 C ATOM 1189 C HIS A 82 42.518 4.021 -9.084 1.00 10.96 C ATOM 1190 O HIS A 82 43.243 3.181 -9.620 1.00 11.19 O ATOM 1191 CB HIS A 82 43.304 6.230 -8.229 1.00 10.38 C ATOM 1192 CG HIS A 82 43.754 7.627 -8.533 1.00 10.29 C ATOM 1193 ND1 HIS A 82 44.849 7.914 -9.323 1.00 10.66 N ATOM 1194 CD2 HIS A 82 43.262 8.822 -8.136 1.00 10.14 C ATOM 1195 CE1 HIS A 82 45.011 9.221 -9.390 1.00 10.73 C ATOM 1196 NE2 HIS A 82 44.062 9.796 -8.679 1.00 10.43 N ATOM 0 H HIS A 82 41.103 6.867 -9.187 1.00 10.09 H new ATOM 0 HA HIS A 82 43.331 5.604 -10.280 1.00 10.32 H new ATOM 0 HB2 HIS A 82 42.582 6.263 -7.413 1.00 10.38 H new ATOM 0 HB3 HIS A 82 44.159 5.654 -7.875 1.00 10.38 H new ATOM 0 HD2 HIS A 82 42.398 8.981 -7.507 1.00 10.14 H new ATOM 0 HE1 HIS A 82 45.790 9.734 -9.935 1.00 10.73 H new ATOM 0 HE2 HIS A 82 43.942 10.801 -8.553 1.00 10.43 H new ATOM 1205 N ARG A 83 41.553 3.727 -8.207 1.00 11.41 N ATOM 1206 CA ARG A 83 41.252 2.357 -7.777 1.00 12.20 C ATOM 1207 C ARG A 83 42.373 1.818 -6.886 1.00 12.66 C ATOM 1208 O ARG A 83 43.338 2.523 -6.598 1.00 12.79 O ATOM 1209 CB ARG A 83 41.019 1.435 -8.982 1.00 12.48 C ATOM 1210 CG ARG A 83 39.870 1.870 -9.876 1.00 12.24 C ATOM 1211 CD ARG A 83 39.642 0.872 -11.004 1.00 12.18 C ATOM 1212 NE ARG A 83 38.911 1.464 -12.127 1.00 12.92 N ATOM 1213 CZ ARG A 83 38.058 0.796 -12.917 1.00 13.33 C ATOM 1214 NH1 ARG A 83 37.736 -0.463 -12.647 1.00 13.12 N ATOM 1215 NH2 ARG A 83 37.506 1.406 -13.955 1.00 14.12 N ATOM 0 H ARG A 83 40.957 4.433 -7.774 1.00 11.41 H new ATOM 0 HA ARG A 83 40.330 2.379 -7.196 1.00 12.20 H new ATOM 0 HB2 ARG A 83 41.932 1.391 -9.576 1.00 12.48 H new ATOM 0 HB3 ARG A 83 40.824 0.425 -8.622 1.00 12.48 H new ATOM 0 HG2 ARG A 83 38.961 1.967 -9.283 1.00 12.24 H new ATOM 0 HG3 ARG A 83 40.084 2.854 -10.295 1.00 12.24 H new ATOM 0 HD2 ARG A 83 40.603 0.498 -11.355 1.00 12.18 H new ATOM 0 HD3 ARG A 83 39.087 0.015 -10.622 1.00 12.18 H new ATOM 0 HE ARG A 83 39.061 2.454 -12.322 1.00 12.92 H new ATOM 0 HH11 ARG A 83 38.138 -0.929 -11.834 1.00 13.12 H new ATOM 0 HH12 ARG A 83 37.086 -0.964 -13.253 1.00 13.12 H new ATOM 0 HH21 ARG A 83 37.730 2.381 -14.152 1.00 14.12 H new ATOM 0 HH22 ARG A 83 36.857 0.900 -14.558 1.00 14.12 H new ATOM 1229 N PHE A 84 42.234 0.572 -6.438 1.00 13.06 N ATOM 1230 CA PHE A 84 43.203 -0.028 -5.515 1.00 13.61 C ATOM 1231 C PHE A 84 43.729 -1.382 -6.022 1.00 14.10 C ATOM 1232 O PHE A 84 44.933 -1.625 -5.978 1.00 14.50 O ATOM 1233 CB PHE A 84 42.592 -0.201 -4.119 1.00 14.25 C ATOM 1234 CG PHE A 84 42.093 1.074 -3.508 1.00 14.22 C ATOM 1235 CD1 PHE A 84 42.970 1.959 -2.910 1.00 14.17 C ATOM 1236 CD2 PHE A 84 40.744 1.385 -3.533 1.00 14.39 C ATOM 1237 CE1 PHE A 84 42.510 3.133 -2.346 1.00 14.34 C ATOM 1238 CE2 PHE A 84 40.278 2.554 -2.973 1.00 14.57 C ATOM 1239 CZ PHE A 84 41.162 3.431 -2.379 1.00 14.57 C ATOM 0 H PHE A 84 41.463 -0.043 -6.697 1.00 13.06 H new ATOM 0 HA PHE A 84 44.047 0.659 -5.458 1.00 13.61 H new ATOM 0 HB2 PHE A 84 41.766 -0.910 -4.181 1.00 14.25 H new ATOM 0 HB3 PHE A 84 43.340 -0.640 -3.458 1.00 14.25 H new ATOM 0 HD1 PHE A 84 44.025 1.730 -2.883 1.00 14.17 H new ATOM 0 HD2 PHE A 84 40.048 0.702 -3.998 1.00 14.39 H new ATOM 0 HE1 PHE A 84 43.204 3.817 -1.880 1.00 14.34 H new ATOM 0 HE2 PHE A 84 39.223 2.784 -2.999 1.00 14.57 H new ATOM 0 HZ PHE A 84 40.800 4.349 -1.940 1.00 14.57 H new ATOM 1249 N PRO A 85 42.845 -2.300 -6.496 1.00 14.25 N ATOM 1250 CA PRO A 85 43.257 -3.615 -7.053 1.00 14.89 C ATOM 1251 C PRO A 85 44.168 -3.521 -8.283 1.00 14.90 C ATOM 1252 O PRO A 85 44.434 -4.525 -8.941 1.00 15.47 O ATOM 1253 CB PRO A 85 41.925 -4.250 -7.464 1.00 14.92 C ATOM 1254 CG PRO A 85 40.913 -3.596 -6.598 1.00 14.53 C ATOM 1255 CD PRO A 85 41.374 -2.176 -6.476 1.00 14.02 C ATOM 0 HA PRO A 85 43.839 -4.175 -6.321 1.00 14.89 H new ATOM 0 HB2 PRO A 85 41.713 -4.078 -8.519 1.00 14.92 H new ATOM 0 HB3 PRO A 85 41.937 -5.329 -7.313 1.00 14.92 H new ATOM 0 HG2 PRO A 85 39.918 -3.652 -7.040 1.00 14.53 H new ATOM 0 HG3 PRO A 85 40.856 -4.079 -5.622 1.00 14.53 H new ATOM 0 HD2 PRO A 85 41.010 -1.562 -7.299 1.00 14.02 H new ATOM 0 HD3 PRO A 85 41.021 -1.715 -5.554 1.00 14.02 H new ATOM 1263 N GLN A 86 44.631 -2.325 -8.599 1.00 14.42 N ATOM 1264 CA GLN A 86 45.526 -2.124 -9.729 1.00 14.58 C ATOM 1265 C GLN A 86 46.977 -2.056 -9.260 1.00 14.98 C ATOM 1266 O GLN A 86 47.892 -1.834 -10.055 1.00 15.51 O ATOM 1267 CB GLN A 86 45.132 -0.854 -10.496 1.00 13.80 C ATOM 1268 CG GLN A 86 44.625 0.270 -9.601 1.00 13.24 C ATOM 1269 CD GLN A 86 45.715 0.901 -8.751 1.00 12.42 C ATOM 1270 OE1 GLN A 86 45.984 0.456 -7.638 1.00 12.34 O ATOM 1271 NE2 GLN A 86 46.344 1.948 -9.265 1.00 11.97 N ATOM 0 H GLN A 86 44.402 -1.473 -8.087 1.00 14.42 H new ATOM 0 HA GLN A 86 45.435 -2.974 -10.405 1.00 14.58 H new ATOM 0 HB2 GLN A 86 45.995 -0.497 -11.058 1.00 13.80 H new ATOM 0 HB3 GLN A 86 44.359 -1.104 -11.223 1.00 13.80 H new ATOM 0 HG2 GLN A 86 44.166 1.040 -10.221 1.00 13.24 H new ATOM 0 HG3 GLN A 86 43.844 -0.120 -8.948 1.00 13.24 H new ATOM 0 HE21 GLN A 86 46.093 2.289 -10.193 1.00 11.97 H new ATOM 0 HE22 GLN A 86 47.079 2.413 -8.733 1.00 11.97 H new ATOM 1280 N GLY A 87 47.172 -2.247 -7.962 1.00 14.85 N ATOM 1281 CA GLY A 87 48.509 -2.251 -7.399 1.00 15.28 C ATOM 1282 C GLY A 87 48.493 -2.623 -5.937 1.00 15.54 C ATOM 1283 O GLY A 87 49.275 -3.460 -5.496 1.00 16.04 O ATOM 0 H GLY A 87 46.424 -2.400 -7.285 1.00 14.85 H new ATOM 0 HA2 GLY A 87 49.134 -2.956 -7.948 1.00 15.28 H new ATOM 0 HA3 GLY A 87 48.959 -1.265 -7.520 1.00 15.28 H new ATOM 1287 N TYR A 88 47.573 -2.009 -5.200 1.00 15.34 N ATOM 1288 CA TYR A 88 47.439 -2.229 -3.761 1.00 15.74 C ATOM 1289 C TYR A 88 48.764 -1.968 -3.042 1.00 16.38 C ATOM 1290 O TYR A 88 49.479 -2.894 -2.659 1.00 16.65 O ATOM 1291 CB TYR A 88 46.936 -3.653 -3.468 1.00 15.89 C ATOM 1292 CG TYR A 88 46.576 -3.904 -2.016 1.00 16.18 C ATOM 1293 CD1 TYR A 88 45.379 -3.438 -1.482 1.00 16.39 C ATOM 1294 CD2 TYR A 88 47.437 -4.606 -1.183 1.00 16.39 C ATOM 1295 CE1 TYR A 88 45.051 -3.670 -0.159 1.00 16.82 C ATOM 1296 CE2 TYR A 88 47.116 -4.842 0.138 1.00 16.82 C ATOM 1297 CZ TYR A 88 45.924 -4.370 0.650 1.00 17.05 C ATOM 1298 OH TYR A 88 45.604 -4.601 1.970 1.00 17.61 O ATOM 0 H TYR A 88 46.899 -1.345 -5.581 1.00 15.34 H new ATOM 0 HA TYR A 88 46.701 -1.522 -3.382 1.00 15.74 H new ATOM 0 HB2 TYR A 88 46.060 -3.850 -4.086 1.00 15.89 H new ATOM 0 HB3 TYR A 88 47.705 -4.366 -3.768 1.00 15.89 H new ATOM 0 HD1 TYR A 88 44.695 -2.887 -2.110 1.00 16.39 H new ATOM 0 HD2 TYR A 88 48.374 -4.973 -1.576 1.00 16.39 H new ATOM 0 HE1 TYR A 88 44.116 -3.305 0.240 1.00 16.82 H new ATOM 0 HE2 TYR A 88 47.796 -5.395 0.770 1.00 16.82 H new ATOM 0 HH TYR A 88 46.325 -5.108 2.398 1.00 17.61 H new ATOM 1308 N HIS A 89 49.105 -0.699 -2.891 1.00 16.74 N ATOM 1309 CA HIS A 89 50.308 -0.317 -2.167 1.00 17.45 C ATOM 1310 C HIS A 89 49.978 0.705 -1.094 1.00 17.29 C ATOM 1311 O HIS A 89 50.333 1.876 -1.194 1.00 17.63 O ATOM 1312 CB HIS A 89 51.411 0.201 -3.113 1.00 18.42 C ATOM 1313 CG HIS A 89 50.960 1.185 -4.158 1.00 18.85 C ATOM 1314 ND1 HIS A 89 50.455 2.437 -4.057 1.00 19.52 N flip ATOM 1315 CD2 HIS A 89 51.050 0.924 -5.504 1.00 18.83 C flip ATOM 1316 CE1 HIS A 89 50.249 2.902 -5.333 1.00 19.89 C flip ATOM 1317 NE2 HIS A 89 50.618 1.966 -6.185 1.00 19.49 N flip ATOM 0 H HIS A 89 48.566 0.085 -3.260 1.00 16.74 H new ATOM 0 HA HIS A 89 50.702 -1.211 -1.683 1.00 17.45 H new ATOM 0 HB2 HIS A 89 52.191 0.668 -2.512 1.00 18.42 H new ATOM 0 HB3 HIS A 89 51.865 -0.653 -3.615 1.00 18.42 H new ATOM 0 HD1 HIS A 89 50.263 2.942 -3.192 1.00 19.52 H new ATOM 0 HD2 HIS A 89 51.418 0.006 -5.937 1.00 18.83 H new ATOM 0 HE1 HIS A 89 49.851 3.872 -5.594 1.00 19.89 H new ATOM 1326 N SER A 90 49.259 0.257 -0.081 1.00 16.89 N ATOM 1327 CA SER A 90 48.893 1.114 1.031 1.00 16.87 C ATOM 1328 C SER A 90 50.058 1.260 2.001 1.00 17.40 C ATOM 1329 O SER A 90 50.409 0.315 2.712 1.00 17.57 O ATOM 1330 CB SER A 90 47.674 0.534 1.741 1.00 16.22 C ATOM 1331 OG SER A 90 47.843 -0.853 1.977 1.00 16.09 O ATOM 0 H SER A 90 48.916 -0.701 -0.006 1.00 16.89 H new ATOM 0 HA SER A 90 48.646 2.105 0.650 1.00 16.87 H new ATOM 0 HB2 SER A 90 47.518 1.052 2.687 1.00 16.22 H new ATOM 0 HB3 SER A 90 46.782 0.699 1.136 1.00 16.22 H new ATOM 0 HG SER A 90 48.750 -1.020 2.309 1.00 16.09 H new ATOM 1337 N ASP A 91 50.659 2.445 2.023 1.00 17.78 N ATOM 1338 CA ASP A 91 51.787 2.713 2.904 1.00 18.42 C ATOM 1339 C ASP A 91 51.287 3.175 4.269 1.00 18.69 C ATOM 1340 O ASP A 91 52.058 3.288 5.222 1.00 19.21 O ATOM 1341 CB ASP A 91 52.724 3.761 2.290 1.00 19.03 C ATOM 1342 CG ASP A 91 52.119 5.151 2.254 1.00 19.61 C ATOM 1343 OD1 ASP A 91 51.028 5.320 1.666 1.00 20.11 O ATOM 1344 OD2 ASP A 91 52.737 6.084 2.807 1.00 19.68 O ATOM 0 H ASP A 91 50.383 3.235 1.440 1.00 17.78 H new ATOM 0 HA ASP A 91 52.353 1.790 3.031 1.00 18.42 H new ATOM 0 HB2 ASP A 91 53.652 3.790 2.862 1.00 19.03 H new ATOM 0 HB3 ASP A 91 52.984 3.458 1.276 1.00 19.03 H new ATOM 1349 N LYS A 92 49.989 3.436 4.349 1.00 18.45 N ATOM 1350 CA LYS A 92 49.347 3.789 5.606 1.00 18.78 C ATOM 1351 C LYS A 92 49.006 2.530 6.394 1.00 19.35 C ATOM 1352 O LYS A 92 47.988 1.887 6.138 1.00 19.92 O ATOM 1353 CB LYS A 92 48.069 4.598 5.356 1.00 18.38 C ATOM 1354 CG LYS A 92 48.286 5.907 4.613 1.00 18.13 C ATOM 1355 CD LYS A 92 49.160 6.872 5.397 1.00 18.03 C ATOM 1356 CE LYS A 92 50.515 7.068 4.738 1.00 17.98 C ATOM 1357 NZ LYS A 92 50.387 7.574 3.347 1.00 17.78 N ATOM 0 H LYS A 92 49.356 3.409 3.550 1.00 18.45 H new ATOM 0 HA LYS A 92 50.042 4.400 6.182 1.00 18.78 H new ATOM 0 HB2 LYS A 92 47.371 3.984 4.788 1.00 18.38 H new ATOM 0 HB3 LYS A 92 47.597 4.813 6.315 1.00 18.38 H new ATOM 0 HG2 LYS A 92 48.748 5.703 3.647 1.00 18.13 H new ATOM 0 HG3 LYS A 92 47.322 6.373 4.412 1.00 18.13 H new ATOM 0 HD2 LYS A 92 48.654 7.834 5.482 1.00 18.03 H new ATOM 0 HD3 LYS A 92 49.300 6.495 6.410 1.00 18.03 H new ATOM 0 HE2 LYS A 92 51.107 7.769 5.326 1.00 17.98 H new ATOM 0 HE3 LYS A 92 51.056 6.122 4.732 1.00 17.98 H new ATOM 0 HZ1 LYS A 92 51.247 8.098 3.088 1.00 17.78 H new ATOM 0 HZ2 LYS A 92 50.261 6.773 2.696 1.00 17.78 H new ATOM 0 HZ3 LYS A 92 49.564 8.206 3.282 1.00 17.78 H new ATOM 1371 N ARG A 93 49.859 2.169 7.339 1.00 19.31 N ATOM 1372 CA ARG A 93 49.620 0.992 8.164 1.00 19.91 C ATOM 1373 C ARG A 93 49.542 1.380 9.633 1.00 20.36 C ATOM 1374 O ARG A 93 49.668 0.536 10.517 1.00 20.53 O ATOM 1375 CB ARG A 93 50.706 -0.075 7.954 1.00 20.42 C ATOM 1376 CG ARG A 93 52.131 0.426 8.153 1.00 20.25 C ATOM 1377 CD ARG A 93 52.797 0.752 6.830 1.00 20.24 C ATOM 1378 NE ARG A 93 52.919 -0.426 5.971 1.00 20.81 N ATOM 1379 CZ ARG A 93 53.591 -0.442 4.821 1.00 21.12 C ATOM 1380 NH1 ARG A 93 54.181 0.667 4.378 1.00 20.91 N ATOM 1381 NH2 ARG A 93 53.673 -1.563 4.115 1.00 21.73 N ATOM 0 H ARG A 93 50.720 2.671 7.555 1.00 19.31 H new ATOM 0 HA ARG A 93 48.666 0.563 7.858 1.00 19.91 H new ATOM 0 HB2 ARG A 93 50.525 -0.900 8.643 1.00 20.42 H new ATOM 0 HB3 ARG A 93 50.613 -0.476 6.945 1.00 20.42 H new ATOM 0 HG2 ARG A 93 52.120 1.314 8.784 1.00 20.25 H new ATOM 0 HG3 ARG A 93 52.714 -0.331 8.678 1.00 20.25 H new ATOM 0 HD2 ARG A 93 52.220 1.519 6.313 1.00 20.24 H new ATOM 0 HD3 ARG A 93 53.787 1.169 7.016 1.00 20.24 H new ATOM 0 HE ARG A 93 52.462 -1.287 6.271 1.00 20.81 H new ATOM 0 HH11 ARG A 93 54.118 1.529 4.919 1.00 20.91 H new ATOM 0 HH12 ARG A 93 54.695 0.654 3.497 1.00 20.91 H new ATOM 0 HH21 ARG A 93 53.221 -2.413 4.453 1.00 21.73 H new ATOM 0 HH22 ARG A 93 54.188 -1.575 3.234 1.00 21.73 H new ATOM 1395 N ARG A 94 49.296 2.661 9.888 1.00 20.65 N ATOM 1396 CA ARG A 94 49.222 3.165 11.258 1.00 21.26 C ATOM 1397 C ARG A 94 47.848 2.882 11.869 1.00 22.10 C ATOM 1398 O ARG A 94 47.522 3.377 12.951 1.00 22.42 O ATOM 1399 CB ARG A 94 49.527 4.667 11.302 1.00 21.34 C ATOM 1400 CG ARG A 94 48.542 5.527 10.528 1.00 21.30 C ATOM 1401 CD ARG A 94 48.924 6.999 10.592 1.00 21.28 C ATOM 1402 NE ARG A 94 48.971 7.501 11.966 1.00 21.49 N ATOM 1403 CZ ARG A 94 48.844 8.788 12.303 1.00 21.68 C ATOM 1404 NH1 ARG A 94 48.660 9.715 11.370 1.00 21.65 N ATOM 1405 NH2 ARG A 94 48.894 9.148 13.580 1.00 21.99 N ATOM 0 H ARG A 94 49.145 3.368 9.168 1.00 20.65 H new ATOM 0 HA ARG A 94 49.974 2.643 11.849 1.00 21.26 H new ATOM 0 HB2 ARG A 94 49.538 4.994 12.342 1.00 21.34 H new ATOM 0 HB3 ARG A 94 50.528 4.835 10.905 1.00 21.34 H new ATOM 0 HG2 ARG A 94 48.511 5.202 9.488 1.00 21.30 H new ATOM 0 HG3 ARG A 94 47.540 5.391 10.934 1.00 21.30 H new ATOM 0 HD2 ARG A 94 49.897 7.140 10.122 1.00 21.28 H new ATOM 0 HD3 ARG A 94 48.205 7.584 10.018 1.00 21.28 H new ATOM 0 HE ARG A 94 49.110 6.824 12.716 1.00 21.49 H new ATOM 0 HH11 ARG A 94 48.615 9.447 10.387 1.00 21.65 H new ATOM 0 HH12 ARG A 94 48.564 10.695 11.637 1.00 21.65 H new ATOM 0 HH21 ARG A 94 49.029 8.442 14.304 1.00 21.99 H new ATOM 0 HH22 ARG A 94 48.797 10.130 13.837 1.00 21.99 H new ATOM 1419 N LEU A 95 47.051 2.078 11.174 1.00 22.55 N ATOM 1420 CA LEU A 95 45.755 1.672 11.685 1.00 23.45 C ATOM 1421 C LEU A 95 45.902 0.408 12.508 1.00 24.13 C ATOM 1422 O LEU A 95 46.290 -0.639 11.988 1.00 24.69 O ATOM 1423 CB LEU A 95 44.740 1.431 10.553 1.00 23.73 C ATOM 1424 CG LEU A 95 44.249 2.679 9.796 1.00 23.32 C ATOM 1425 CD1 LEU A 95 43.743 3.737 10.763 1.00 23.09 C ATOM 1426 CD2 LEU A 95 45.340 3.242 8.896 1.00 23.46 C ATOM 0 H LEU A 95 47.283 1.697 10.257 1.00 22.55 H new ATOM 0 HA LEU A 95 45.377 2.484 12.307 1.00 23.45 H new ATOM 0 HB2 LEU A 95 45.189 0.748 9.831 1.00 23.73 H new ATOM 0 HB3 LEU A 95 43.872 0.924 10.975 1.00 23.73 H new ATOM 0 HG LEU A 95 43.417 2.376 9.161 1.00 23.32 H new ATOM 0 HD11 LEU A 95 43.402 4.608 10.203 1.00 23.09 H new ATOM 0 HD12 LEU A 95 42.915 3.332 11.344 1.00 23.09 H new ATOM 0 HD13 LEU A 95 44.549 4.031 11.436 1.00 23.09 H new ATOM 0 HD21 LEU A 95 44.964 4.122 8.375 1.00 23.46 H new ATOM 0 HD22 LEU A 95 46.203 3.520 9.501 1.00 23.46 H new ATOM 0 HD23 LEU A 95 45.636 2.488 8.167 1.00 23.46 H new ATOM 1438 N SER A 96 45.624 0.518 13.793 1.00 24.14 N ATOM 1439 CA SER A 96 45.660 -0.634 14.676 1.00 24.84 C ATOM 1440 C SER A 96 44.239 -1.172 14.833 1.00 25.65 C ATOM 1441 O SER A 96 43.428 -1.039 13.912 1.00 26.06 O ATOM 1442 CB SER A 96 46.261 -0.243 16.033 1.00 25.35 C ATOM 1443 OG SER A 96 46.663 -1.392 16.767 1.00 25.01 O ATOM 0 H SER A 96 45.370 1.394 14.250 1.00 24.14 H new ATOM 0 HA SER A 96 46.292 -1.414 14.251 1.00 24.84 H new ATOM 0 HB2 SER A 96 47.119 0.412 15.879 1.00 25.35 H new ATOM 0 HB3 SER A 96 45.528 0.322 16.609 1.00 25.35 H new ATOM 0 HG SER A 96 47.044 -1.115 17.626 1.00 25.01 H new ATOM 1449 N LYS A 97 43.944 -1.783 15.987 1.00 25.95 N ATOM 1450 CA LYS A 97 42.616 -2.329 16.286 1.00 26.80 C ATOM 1451 C LYS A 97 42.347 -3.628 15.519 1.00 26.62 C ATOM 1452 O LYS A 97 41.771 -4.568 16.067 1.00 27.28 O ATOM 1453 CB LYS A 97 41.523 -1.290 15.997 1.00 27.31 C ATOM 1454 CG LYS A 97 40.223 -1.898 15.512 1.00 27.15 C ATOM 1455 CD LYS A 97 39.231 -0.842 15.077 1.00 27.42 C ATOM 1456 CE LYS A 97 37.969 -1.479 14.521 1.00 27.89 C ATOM 1457 NZ LYS A 97 37.015 -0.470 13.986 1.00 28.52 N ATOM 0 H LYS A 97 44.620 -1.912 16.740 1.00 25.95 H new ATOM 0 HA LYS A 97 42.594 -2.569 17.349 1.00 26.80 H new ATOM 0 HB2 LYS A 97 41.330 -0.716 16.903 1.00 27.31 H new ATOM 0 HB3 LYS A 97 41.889 -0.589 15.247 1.00 27.31 H new ATOM 0 HG2 LYS A 97 40.426 -2.570 14.678 1.00 27.15 H new ATOM 0 HG3 LYS A 97 39.785 -2.501 16.308 1.00 27.15 H new ATOM 0 HD2 LYS A 97 38.978 -0.204 15.924 1.00 27.42 H new ATOM 0 HD3 LYS A 97 39.684 -0.202 14.320 1.00 27.42 H new ATOM 0 HE2 LYS A 97 38.236 -2.178 13.729 1.00 27.89 H new ATOM 0 HE3 LYS A 97 37.481 -2.057 15.305 1.00 27.89 H new ATOM 0 HZ1 LYS A 97 36.170 -0.952 13.618 1.00 28.52 H new ATOM 0 HZ2 LYS A 97 36.738 0.183 14.746 1.00 28.52 H new ATOM 0 HZ3 LYS A 97 37.470 0.065 13.219 1.00 28.52 H new ATOM 1471 N ALA A 98 42.756 -3.670 14.263 1.00 25.81 N ATOM 1472 CA ALA A 98 42.540 -4.839 13.426 1.00 25.63 C ATOM 1473 C ALA A 98 43.420 -6.006 13.866 1.00 26.23 C ATOM 1474 O ALA A 98 44.650 -5.924 13.833 1.00 26.50 O ATOM 1475 CB ALA A 98 42.797 -4.502 11.964 1.00 25.39 C ATOM 0 H ALA A 98 43.242 -2.904 13.798 1.00 25.81 H new ATOM 0 HA ALA A 98 41.499 -5.143 13.538 1.00 25.63 H new ATOM 0 HB1 ALA A 98 42.631 -5.388 11.352 1.00 25.39 H new ATOM 0 HB2 ALA A 98 42.118 -3.710 11.648 1.00 25.39 H new ATOM 0 HB3 ALA A 98 43.827 -4.166 11.844 1.00 25.39 H new ATOM 1481 N SER A 99 42.780 -7.087 14.293 1.00 26.50 N ATOM 1482 CA SER A 99 43.490 -8.309 14.659 1.00 27.15 C ATOM 1483 C SER A 99 43.896 -9.086 13.403 1.00 27.64 C ATOM 1484 O SER A 99 43.549 -10.257 13.232 1.00 28.00 O ATOM 1485 CB SER A 99 42.611 -9.181 15.561 1.00 27.13 C ATOM 1486 OG SER A 99 42.226 -8.478 16.733 1.00 26.99 O ATOM 0 H SER A 99 41.767 -7.144 14.395 1.00 26.50 H new ATOM 0 HA SER A 99 44.393 -8.037 15.206 1.00 27.15 H new ATOM 0 HB2 SER A 99 41.723 -9.496 15.014 1.00 27.13 H new ATOM 0 HB3 SER A 99 43.153 -10.086 15.837 1.00 27.13 H new ATOM 0 HG SER A 99 41.664 -9.055 17.291 1.00 26.99 H new ATOM 1492 N SER A 100 44.658 -8.429 12.539 1.00 27.71 N ATOM 1493 CA SER A 100 45.028 -8.980 11.239 1.00 28.26 C ATOM 1494 C SER A 100 46.161 -10.006 11.336 1.00 28.98 C ATOM 1495 O SER A 100 46.938 -10.176 10.399 1.00 29.38 O ATOM 1496 CB SER A 100 45.431 -7.841 10.310 1.00 28.27 C ATOM 1497 OG SER A 100 44.402 -6.872 10.219 1.00 28.11 O ATOM 0 H SER A 100 45.038 -7.499 12.718 1.00 27.71 H new ATOM 0 HA SER A 100 44.160 -9.506 10.841 1.00 28.26 H new ATOM 0 HB2 SER A 100 46.344 -7.373 10.677 1.00 28.27 H new ATOM 0 HB3 SER A 100 45.652 -8.236 9.319 1.00 28.27 H new ATOM 0 HG SER A 100 44.684 -6.150 9.619 1.00 28.11 H new ATOM 1503 N LYS A 101 46.231 -10.713 12.452 1.00 29.21 N ATOM 1504 CA LYS A 101 47.231 -11.762 12.618 1.00 29.94 C ATOM 1505 C LYS A 101 46.640 -13.103 12.207 1.00 30.44 C ATOM 1506 O LYS A 101 47.363 -14.045 11.905 1.00 31.19 O ATOM 1507 CB LYS A 101 47.744 -11.826 14.066 1.00 30.31 C ATOM 1508 CG LYS A 101 48.571 -10.616 14.492 1.00 30.08 C ATOM 1509 CD LYS A 101 47.719 -9.365 14.625 1.00 30.22 C ATOM 1510 CE LYS A 101 48.549 -8.151 15.005 1.00 30.12 C ATOM 1511 NZ LYS A 101 49.243 -8.329 16.307 1.00 30.42 N ATOM 0 H LYS A 101 45.613 -10.583 13.253 1.00 29.21 H new ATOM 0 HA LYS A 101 48.081 -11.528 11.977 1.00 29.94 H new ATOM 0 HB2 LYS A 101 46.891 -11.923 14.738 1.00 30.31 H new ATOM 0 HB3 LYS A 101 48.348 -12.725 14.186 1.00 30.31 H new ATOM 0 HG2 LYS A 101 49.058 -10.826 15.444 1.00 30.08 H new ATOM 0 HG3 LYS A 101 49.361 -10.441 13.762 1.00 30.08 H new ATOM 0 HD2 LYS A 101 47.206 -9.173 13.682 1.00 30.22 H new ATOM 0 HD3 LYS A 101 46.949 -9.529 15.379 1.00 30.22 H new ATOM 0 HE2 LYS A 101 49.287 -7.959 14.226 1.00 30.12 H new ATOM 0 HE3 LYS A 101 47.904 -7.274 15.056 1.00 30.12 H new ATOM 0 HZ1 LYS A 101 49.642 -7.419 16.615 1.00 30.42 H new ATOM 0 HZ2 LYS A 101 48.565 -8.668 17.018 1.00 30.42 H new ATOM 0 HZ3 LYS A 101 50.009 -9.024 16.200 1.00 30.42 H new ATOM 1525 N ALA A 102 45.313 -13.170 12.189 1.00 30.08 N ATOM 1526 CA ALA A 102 44.606 -14.371 11.773 1.00 30.58 C ATOM 1527 C ALA A 102 43.741 -14.069 10.557 1.00 30.59 C ATOM 1528 O ALA A 102 42.668 -14.638 10.378 1.00 30.68 O ATOM 1529 CB ALA A 102 43.764 -14.899 12.927 1.00 30.57 C ATOM 0 H ALA A 102 44.703 -12.399 12.460 1.00 30.08 H new ATOM 0 HA ALA A 102 45.327 -15.140 11.495 1.00 30.58 H new ATOM 0 HB1 ALA A 102 43.236 -15.799 12.610 1.00 30.57 H new ATOM 0 HB2 ALA A 102 44.412 -15.136 13.771 1.00 30.57 H new ATOM 0 HB3 ALA A 102 43.041 -14.141 13.226 1.00 30.57 H new ATOM 1535 N ARG A 103 44.240 -13.186 9.698 1.00 30.57 N ATOM 1536 CA ARG A 103 43.509 -12.778 8.501 1.00 30.65 C ATOM 1537 C ARG A 103 43.615 -13.819 7.397 1.00 30.77 C ATOM 1538 O ARG A 103 43.255 -13.565 6.250 1.00 30.46 O ATOM 1539 CB ARG A 103 44.019 -11.437 7.995 1.00 31.34 C ATOM 1540 CG ARG A 103 45.508 -11.429 7.678 1.00 31.28 C ATOM 1541 CD ARG A 103 45.937 -10.134 7.017 1.00 31.10 C ATOM 1542 NE ARG A 103 45.295 -9.941 5.712 1.00 31.07 N ATOM 1543 CZ ARG A 103 45.640 -8.991 4.839 1.00 31.03 C ATOM 1544 NH1 ARG A 103 46.574 -8.109 5.146 1.00 31.01 N ATOM 1545 NH2 ARG A 103 45.024 -8.911 3.666 1.00 31.09 N ATOM 0 H ARG A 103 45.150 -12.738 9.808 1.00 30.57 H new ATOM 0 HA ARG A 103 42.459 -12.683 8.778 1.00 30.65 H new ATOM 0 HB2 ARG A 103 43.464 -11.162 7.098 1.00 31.34 H new ATOM 0 HB3 ARG A 103 43.812 -10.673 8.745 1.00 31.34 H new ATOM 0 HG2 ARG A 103 46.076 -11.573 8.597 1.00 31.28 H new ATOM 0 HG3 ARG A 103 45.744 -12.267 7.022 1.00 31.28 H new ATOM 0 HD2 ARG A 103 45.691 -9.296 7.669 1.00 31.10 H new ATOM 0 HD3 ARG A 103 47.020 -10.133 6.891 1.00 31.10 H new ATOM 0 HE ARG A 103 44.537 -10.573 5.455 1.00 31.07 H new ATOM 0 HH11 ARG A 103 47.036 -8.151 6.054 1.00 31.01 H new ATOM 0 HH12 ARG A 103 46.833 -7.386 4.475 1.00 31.01 H new ATOM 0 HH21 ARG A 103 44.287 -9.575 3.431 1.00 31.09 H new ATOM 0 HH22 ARG A 103 45.288 -8.185 3.000 1.00 31.09 H new ATOM 1559 N SER A 104 44.100 -14.995 7.757 1.00 31.30 N ATOM 1560 CA SER A 104 44.139 -16.120 6.845 1.00 31.63 C ATOM 1561 C SER A 104 42.765 -16.793 6.787 1.00 32.26 C ATOM 1562 O SER A 104 42.602 -17.849 6.167 1.00 32.63 O ATOM 1563 CB SER A 104 45.216 -17.106 7.294 1.00 31.49 C ATOM 1564 OG SER A 104 45.123 -17.365 8.692 1.00 31.60 O ATOM 0 H SER A 104 44.475 -15.194 8.684 1.00 31.30 H new ATOM 0 HA SER A 104 44.387 -15.771 5.843 1.00 31.63 H new ATOM 0 HB2 SER A 104 45.113 -18.039 6.740 1.00 31.49 H new ATOM 0 HB3 SER A 104 46.202 -16.704 7.060 1.00 31.49 H new ATOM 0 HG SER A 104 44.490 -18.097 8.848 1.00 31.60 H new ATOM 1570 N ASP A 105 41.787 -16.146 7.437 1.00 32.44 N ATOM 1571 CA ASP A 105 40.396 -16.611 7.495 1.00 33.10 C ATOM 1572 C ASP A 105 40.261 -17.859 8.358 1.00 33.71 C ATOM 1573 O ASP A 105 39.744 -17.792 9.479 1.00 33.79 O ATOM 1574 CB ASP A 105 39.823 -16.869 6.094 1.00 32.92 C ATOM 1575 CG ASP A 105 39.608 -15.597 5.297 1.00 33.34 C ATOM 1576 OD1 ASP A 105 38.566 -14.939 5.491 1.00 33.43 O ATOM 1577 OD2 ASP A 105 40.483 -15.248 4.472 1.00 33.66 O ATOM 0 H ASP A 105 41.943 -15.274 7.943 1.00 32.44 H new ATOM 0 HA ASP A 105 39.816 -15.811 7.955 1.00 33.10 H new ATOM 0 HB2 ASP A 105 40.500 -17.524 5.546 1.00 32.92 H new ATOM 0 HB3 ASP A 105 38.874 -17.397 6.187 1.00 32.92 H new ATOM 1582 N ASP A 106 40.733 -18.984 7.829 1.00 34.21 N ATOM 1583 CA ASP A 106 40.645 -20.275 8.508 1.00 34.91 C ATOM 1584 C ASP A 106 39.196 -20.652 8.793 1.00 35.10 C ATOM 1585 O ASP A 106 38.501 -21.182 7.929 1.00 35.16 O ATOM 1586 CB ASP A 106 41.450 -20.275 9.812 1.00 35.27 C ATOM 1587 CG ASP A 106 42.951 -20.313 9.595 1.00 35.62 C ATOM 1588 OD1 ASP A 106 43.499 -19.371 8.994 1.00 35.68 O ATOM 1589 OD2 ASP A 106 43.588 -21.298 10.022 1.00 35.89 O ATOM 0 H ASP A 106 41.188 -19.027 6.917 1.00 34.21 H new ATOM 0 HA ASP A 106 41.073 -21.020 7.837 1.00 34.91 H new ATOM 0 HB2 ASP A 106 41.196 -19.384 10.387 1.00 35.27 H new ATOM 0 HB3 ASP A 106 41.155 -21.136 10.412 1.00 35.27 H new ATOM 1594 N LEU A 107 38.747 -20.356 10.005 1.00 35.27 N ATOM 1595 CA LEU A 107 37.385 -20.654 10.423 1.00 35.52 C ATOM 1596 C LEU A 107 37.064 -19.852 11.676 1.00 35.58 C ATOM 1597 O LEU A 107 36.195 -20.221 12.469 1.00 35.79 O ATOM 1598 CB LEU A 107 37.192 -22.163 10.687 1.00 36.22 C ATOM 1599 CG LEU A 107 37.922 -22.752 11.906 1.00 36.57 C ATOM 1600 CD1 LEU A 107 37.409 -24.152 12.199 1.00 36.81 C ATOM 1601 CD2 LEU A 107 39.427 -22.782 11.685 1.00 36.78 C ATOM 0 H LEU A 107 39.314 -19.905 10.723 1.00 35.27 H new ATOM 0 HA LEU A 107 36.703 -20.375 9.619 1.00 35.52 H new ATOM 0 HB2 LEU A 107 36.125 -22.354 10.805 1.00 36.22 H new ATOM 0 HB3 LEU A 107 37.517 -22.707 9.800 1.00 36.22 H new ATOM 0 HG LEU A 107 37.718 -22.110 12.763 1.00 36.57 H new ATOM 0 HD11 LEU A 107 37.933 -24.558 13.064 1.00 36.81 H new ATOM 0 HD12 LEU A 107 36.340 -24.111 12.409 1.00 36.81 H new ATOM 0 HD13 LEU A 107 37.585 -24.792 11.335 1.00 36.81 H new ATOM 0 HD21 LEU A 107 39.915 -23.203 12.564 1.00 36.78 H new ATOM 0 HD22 LEU A 107 39.655 -23.396 10.814 1.00 36.78 H new ATOM 0 HD23 LEU A 107 39.791 -21.768 11.519 1.00 36.78 H new ATOM 1613 N SER A 108 37.756 -18.730 11.829 1.00 35.45 N ATOM 1614 CA SER A 108 37.650 -17.929 13.036 1.00 35.56 C ATOM 1615 C SER A 108 36.962 -16.592 12.754 1.00 34.99 C ATOM 1616 O SER A 108 37.161 -15.613 13.478 1.00 35.21 O ATOM 1617 CB SER A 108 39.048 -17.695 13.603 1.00 35.92 C ATOM 1618 OG SER A 108 39.739 -18.927 13.767 1.00 36.22 O ATOM 0 H SER A 108 38.397 -18.356 11.129 1.00 35.45 H new ATOM 0 HA SER A 108 37.041 -18.466 13.763 1.00 35.56 H new ATOM 0 HB2 SER A 108 39.611 -17.043 12.936 1.00 35.92 H new ATOM 0 HB3 SER A 108 38.975 -17.183 14.563 1.00 35.92 H new ATOM 0 HG SER A 108 40.633 -18.755 14.130 1.00 36.22 H new ATOM 1624 N VAL A 109 36.146 -16.562 11.711 1.00 34.34 N ATOM 1625 CA VAL A 109 35.446 -15.346 11.328 1.00 33.84 C ATOM 1626 C VAL A 109 33.933 -15.566 11.309 1.00 33.57 C ATOM 1627 O VAL A 109 33.223 -14.909 12.101 1.00 33.71 O ATOM 1628 CB VAL A 109 35.941 -14.800 9.962 1.00 33.11 C ATOM 1629 CG1 VAL A 109 35.877 -15.861 8.872 1.00 32.97 C ATOM 1630 CG2 VAL A 109 35.157 -13.558 9.558 1.00 33.19 C ATOM 1631 OXT VAL A 109 33.460 -16.410 10.523 1.00 33.28 O ATOM 0 H VAL A 109 35.952 -17.367 11.115 1.00 34.34 H new ATOM 0 HA VAL A 109 35.673 -14.593 12.082 1.00 33.84 H new ATOM 0 HB VAL A 109 36.988 -14.521 10.083 1.00 33.11 H new ATOM 0 HG11 VAL A 109 36.232 -15.439 7.932 1.00 32.97 H new ATOM 0 HG12 VAL A 109 36.506 -16.707 9.150 1.00 32.97 H new ATOM 0 HG13 VAL A 109 34.847 -16.198 8.752 1.00 32.97 H new ATOM 0 HG21 VAL A 109 35.522 -13.194 8.598 1.00 33.19 H new ATOM 0 HG22 VAL A 109 34.099 -13.807 9.473 1.00 33.19 H new ATOM 0 HG23 VAL A 109 35.288 -12.783 10.313 1.00 33.19 H new TER 1641 VAL A 109