USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 791 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 43 THR OG1 : rot -155:sc= 1.58 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0.933 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.45) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 150:sc= -0.0245 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.00084) USER MOD Single : A 27 THR OG1 : rot 107:sc= 1.24 USER MOD Single : A 28 GLN : amide:sc= -1.88 K(o=-1.9,f=-4.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc=-0.00029 X(o=-0.00029,f=-0.28) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.521 K(o=-0.52,f=-3!) USER MOD Single : A 53 GLN : amide:sc= -0.0423 K(o=-0.042,f=-0.82) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc=-0.00259 (180deg=-0.127) USER MOD Single : A 61 HIS : no HD1:sc= -0.577 X(o=-0.58,f=-0.43) USER MOD Single : A 62 MET CE :methyl -162:sc= -0.473 (180deg=-0.625) USER MOD Single : A 63 GLN : amide:sc= -1.25 X(o=-1.3,f=-1.6) USER MOD Single : A 68 THR OG1 : rot -133:sc= -1.08 USER MOD Single : A 71 SER OG : rot -156:sc= 0.0258 USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= -0.0143 (180deg=-0.275) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 78 LYS NZ :NH3+ -160:sc= -0.0227 (180deg=-0.223) USER MOD Single : A 80 ASN : amide:sc= -0.391 K(o=-0.39,f=-2.3!) USER MOD Single : A 82 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.42) USER MOD Single : A 83 ASN : amide:sc= -0.0221 K(o=-0.022,f=-1) USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.227) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.41) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.733 5.404 1.682 1.00 61.31 N ATOM 2 CA GLY A 1 4.735 4.432 0.604 1.00 31.22 C ATOM 3 C GLY A 1 6.109 4.248 -0.008 1.00 63.31 C ATOM 4 O GLY A 1 6.838 5.217 -0.218 1.00 14.23 O ATOM 0 H1 GLY A 1 3.771 5.494 2.067 1.00 61.31 H new ATOM 0 H2 GLY A 1 5.379 5.090 2.434 1.00 61.31 H new ATOM 0 H3 GLY A 1 5.048 6.326 1.318 1.00 61.31 H new ATOM 0 HA2 GLY A 1 4.378 3.474 0.982 1.00 31.22 H new ATOM 0 HA3 GLY A 1 4.036 4.750 -0.169 1.00 31.22 H new ATOM 8 N ALA A 2 6.466 3.000 -0.294 1.00 74.23 N ATOM 9 CA ALA A 2 7.761 2.692 -0.886 1.00 65.03 C ATOM 10 C ALA A 2 7.843 3.197 -2.323 1.00 12.43 C ATOM 11 O ALA A 2 6.977 2.899 -3.145 1.00 10.24 O ATOM 12 CB ALA A 2 8.022 1.194 -0.836 1.00 61.23 C ATOM 0 H ALA A 2 5.875 2.186 -0.125 1.00 74.23 H new ATOM 0 HA ALA A 2 8.528 3.203 -0.305 1.00 65.03 H new ATOM 0 HB1 ALA A 2 8.993 0.979 -1.282 1.00 61.23 H new ATOM 0 HB2 ALA A 2 8.016 0.858 0.201 1.00 61.23 H new ATOM 0 HB3 ALA A 2 7.244 0.670 -1.391 1.00 61.23 H new ATOM 18 N GLU A 3 8.888 3.964 -2.617 1.00 41.12 N ATOM 19 CA GLU A 3 9.080 4.512 -3.955 1.00 21.21 C ATOM 20 C GLU A 3 10.359 3.969 -4.586 1.00 40.45 C ATOM 21 O GLU A 3 11.437 4.051 -3.999 1.00 61.34 O ATOM 22 CB GLU A 3 9.133 6.040 -3.902 1.00 0.13 C ATOM 23 CG GLU A 3 10.313 6.581 -3.111 1.00 54.14 C ATOM 24 CD GLU A 3 10.249 8.085 -2.924 1.00 60.51 C ATOM 25 OE1 GLU A 3 9.521 8.748 -3.691 1.00 52.31 O ATOM 26 OE2 GLU A 3 10.928 8.597 -2.010 1.00 0.03 O ATOM 0 H GLU A 3 9.614 4.220 -1.948 1.00 41.12 H new ATOM 0 HA GLU A 3 8.233 4.207 -4.570 1.00 21.21 H new ATOM 0 HB2 GLU A 3 9.179 6.429 -4.919 1.00 0.13 H new ATOM 0 HB3 GLU A 3 8.209 6.412 -3.460 1.00 0.13 H new ATOM 0 HG2 GLU A 3 10.343 6.098 -2.134 1.00 54.14 H new ATOM 0 HG3 GLU A 3 11.239 6.321 -3.624 1.00 54.14 H new ATOM 33 N GLY A 4 10.230 3.415 -5.788 1.00 72.30 N ATOM 34 CA GLY A 4 11.382 2.866 -6.480 1.00 14.14 C ATOM 35 C GLY A 4 11.049 1.602 -7.247 1.00 62.02 C ATOM 36 O GLY A 4 11.545 0.523 -6.924 1.00 51.42 O ATOM 0 H GLY A 4 9.348 3.337 -6.295 1.00 72.30 H new ATOM 0 HA2 GLY A 4 11.778 3.612 -7.169 1.00 14.14 H new ATOM 0 HA3 GLY A 4 12.169 2.652 -5.756 1.00 14.14 H new ATOM 40 N ASN A 5 10.206 1.735 -8.266 1.00 32.41 N ATOM 41 CA ASN A 5 9.806 0.593 -9.080 1.00 73.14 C ATOM 42 C ASN A 5 10.637 0.518 -10.358 1.00 31.14 C ATOM 43 O ASN A 5 10.104 0.601 -11.465 1.00 1.42 O ATOM 44 CB ASN A 5 8.319 0.686 -9.431 1.00 22.13 C ATOM 45 CG ASN A 5 7.699 -0.674 -9.686 1.00 62.32 C ATOM 46 OD1 ASN A 5 7.917 -1.620 -8.929 1.00 30.21 O ATOM 47 ND2 ASN A 5 6.922 -0.778 -10.758 1.00 20.21 N ATOM 0 H ASN A 5 9.787 2.621 -8.547 1.00 32.41 H new ATOM 0 HA ASN A 5 9.980 -0.313 -8.500 1.00 73.14 H new ATOM 0 HB2 ASN A 5 7.787 1.178 -8.617 1.00 22.13 H new ATOM 0 HB3 ASN A 5 8.196 1.310 -10.316 1.00 22.13 H new ATOM 0 HD21 ASN A 5 6.478 -1.669 -10.982 1.00 20.21 H new ATOM 0 HD22 ASN A 5 6.769 0.033 -11.358 1.00 20.21 H new ATOM 54 N THR A 6 11.947 0.359 -10.196 1.00 71.02 N ATOM 55 CA THR A 6 12.852 0.273 -11.335 1.00 4.10 C ATOM 56 C THR A 6 13.305 -1.163 -11.571 1.00 33.54 C ATOM 57 O THR A 6 14.387 -1.563 -11.139 1.00 61.12 O ATOM 58 CB THR A 6 14.093 1.164 -11.135 1.00 21.44 C ATOM 59 OG1 THR A 6 13.713 2.405 -10.531 1.00 54.34 O ATOM 60 CG2 THR A 6 14.788 1.430 -12.461 1.00 52.34 C ATOM 0 H THR A 6 12.404 0.287 -9.287 1.00 71.02 H new ATOM 0 HA THR A 6 12.298 0.624 -12.206 1.00 4.10 H new ATOM 0 HB THR A 6 14.788 0.639 -10.479 1.00 21.44 H new ATOM 0 HG1 THR A 6 14.508 2.965 -10.406 1.00 54.34 H new ATOM 0 HG21 THR A 6 15.661 2.061 -12.294 1.00 52.34 H new ATOM 0 HG22 THR A 6 15.103 0.485 -12.903 1.00 52.34 H new ATOM 0 HG23 THR A 6 14.099 1.935 -13.138 1.00 52.34 H new ATOM 68 N LEU A 7 12.471 -1.936 -12.258 1.00 33.14 N ATOM 69 CA LEU A 7 12.786 -3.330 -12.552 1.00 14.13 C ATOM 70 C LEU A 7 14.122 -3.445 -13.279 1.00 14.42 C ATOM 71 O LEU A 7 14.473 -2.588 -14.091 1.00 73.41 O ATOM 72 CB LEU A 7 11.676 -3.956 -13.398 1.00 70.31 C ATOM 73 CG LEU A 7 10.452 -4.460 -12.633 1.00 74.00 C ATOM 74 CD1 LEU A 7 10.853 -5.528 -11.627 1.00 53.40 C ATOM 75 CD2 LEU A 7 9.746 -3.306 -11.936 1.00 2.20 C ATOM 0 H LEU A 7 11.572 -1.621 -12.622 1.00 33.14 H new ATOM 0 HA LEU A 7 12.861 -3.867 -11.607 1.00 14.13 H new ATOM 0 HB2 LEU A 7 11.344 -3.219 -14.129 1.00 70.31 H new ATOM 0 HB3 LEU A 7 12.099 -4.791 -13.957 1.00 70.31 H new ATOM 0 HG LEU A 7 9.759 -4.905 -13.347 1.00 74.00 H new ATOM 0 HD11 LEU A 7 9.969 -5.874 -11.092 1.00 53.40 H new ATOM 0 HD12 LEU A 7 11.312 -6.367 -12.150 1.00 53.40 H new ATOM 0 HD13 LEU A 7 11.566 -5.109 -10.917 1.00 53.40 H new ATOM 0 HD21 LEU A 7 8.877 -3.683 -11.397 1.00 2.20 H new ATOM 0 HD22 LEU A 7 10.431 -2.831 -11.234 1.00 2.20 H new ATOM 0 HD23 LEU A 7 9.423 -2.576 -12.678 1.00 2.20 H new ATOM 87 N ILE A 8 14.861 -4.508 -12.983 1.00 32.31 N ATOM 88 CA ILE A 8 16.156 -4.736 -13.611 1.00 62.30 C ATOM 89 C ILE A 8 16.333 -6.203 -13.991 1.00 14.34 C ATOM 90 O ILE A 8 15.587 -7.068 -13.531 1.00 11.50 O ATOM 91 CB ILE A 8 17.313 -4.315 -12.685 1.00 53.45 C ATOM 92 CG1 ILE A 8 17.151 -4.957 -11.306 1.00 41.21 C ATOM 93 CG2 ILE A 8 17.370 -2.799 -12.567 1.00 1.14 C ATOM 94 CD1 ILE A 8 18.398 -4.879 -10.453 1.00 40.44 C ATOM 0 H ILE A 8 14.585 -5.225 -12.312 1.00 32.31 H new ATOM 0 HA ILE A 8 16.181 -4.124 -14.512 1.00 62.30 H new ATOM 0 HB ILE A 8 18.251 -4.662 -13.118 1.00 53.45 H new ATOM 0 HG12 ILE A 8 16.330 -4.468 -10.781 1.00 41.21 H new ATOM 0 HG13 ILE A 8 16.871 -6.003 -11.432 1.00 41.21 H new ATOM 0 HG21 ILE A 8 18.192 -2.516 -11.910 1.00 1.14 H new ATOM 0 HG22 ILE A 8 17.527 -2.363 -13.553 1.00 1.14 H new ATOM 0 HG23 ILE A 8 16.431 -2.431 -12.153 1.00 1.14 H new ATOM 0 HD11 ILE A 8 18.210 -5.354 -9.490 1.00 40.44 H new ATOM 0 HD12 ILE A 8 19.217 -5.393 -10.957 1.00 40.44 H new ATOM 0 HD13 ILE A 8 18.667 -3.834 -10.296 1.00 40.44 H new ATOM 106 N SER A 9 17.326 -6.475 -14.831 1.00 75.41 N ATOM 107 CA SER A 9 17.599 -7.837 -15.274 1.00 65.34 C ATOM 108 C SER A 9 19.101 -8.080 -15.388 1.00 44.22 C ATOM 109 O SER A 9 19.847 -7.220 -15.858 1.00 21.13 O ATOM 110 CB SER A 9 16.925 -8.103 -16.622 1.00 30.14 C ATOM 111 OG SER A 9 17.560 -7.379 -17.661 1.00 71.34 O ATOM 0 H SER A 9 17.954 -5.771 -15.218 1.00 75.41 H new ATOM 0 HA SER A 9 17.192 -8.523 -14.531 1.00 65.34 H new ATOM 0 HB2 SER A 9 16.958 -9.169 -16.845 1.00 30.14 H new ATOM 0 HB3 SER A 9 15.873 -7.821 -16.568 1.00 30.14 H new ATOM 0 HG SER A 9 17.112 -7.567 -18.512 1.00 71.34 H new ATOM 117 N VAL A 10 19.539 -9.258 -14.955 1.00 12.14 N ATOM 118 CA VAL A 10 20.951 -9.616 -15.008 1.00 42.21 C ATOM 119 C VAL A 10 21.142 -11.123 -14.877 1.00 14.45 C ATOM 120 O VAL A 10 20.340 -11.807 -14.241 1.00 15.12 O ATOM 121 CB VAL A 10 21.752 -8.909 -13.898 1.00 34.42 C ATOM 122 CG1 VAL A 10 21.328 -9.417 -12.528 1.00 72.31 C ATOM 123 CG2 VAL A 10 23.245 -9.107 -14.110 1.00 50.12 C ATOM 0 H VAL A 10 18.935 -9.981 -14.563 1.00 12.14 H new ATOM 0 HA VAL A 10 21.324 -9.289 -15.979 1.00 42.21 H new ATOM 0 HB VAL A 10 21.540 -7.841 -13.945 1.00 34.42 H new ATOM 0 HG11 VAL A 10 21.904 -8.907 -11.756 1.00 72.31 H new ATOM 0 HG12 VAL A 10 20.267 -9.219 -12.379 1.00 72.31 H new ATOM 0 HG13 VAL A 10 21.509 -10.490 -12.466 1.00 72.31 H new ATOM 0 HG21 VAL A 10 23.795 -8.601 -13.317 1.00 50.12 H new ATOM 0 HG22 VAL A 10 23.477 -10.172 -14.090 1.00 50.12 H new ATOM 0 HG23 VAL A 10 23.534 -8.690 -15.075 1.00 50.12 H new ATOM 133 N ASP A 11 22.208 -11.633 -15.481 1.00 65.41 N ATOM 134 CA ASP A 11 22.506 -13.060 -15.431 1.00 21.25 C ATOM 135 C ASP A 11 23.685 -13.337 -14.503 1.00 44.33 C ATOM 136 O ASP A 11 24.266 -12.415 -13.930 1.00 24.25 O ATOM 137 CB ASP A 11 22.809 -13.590 -16.833 1.00 51.31 C ATOM 138 CG ASP A 11 21.642 -13.410 -17.784 1.00 60.41 C ATOM 139 OD1 ASP A 11 21.299 -12.249 -18.090 1.00 24.31 O ATOM 140 OD2 ASP A 11 21.071 -14.431 -18.222 1.00 73.21 O ATOM 0 H ASP A 11 22.881 -11.080 -16.012 1.00 65.41 H new ATOM 0 HA ASP A 11 21.629 -13.575 -15.039 1.00 21.25 H new ATOM 0 HB2 ASP A 11 23.682 -13.074 -17.232 1.00 51.31 H new ATOM 0 HB3 ASP A 11 23.064 -14.648 -16.771 1.00 51.31 H new ATOM 145 N TYR A 12 24.033 -14.611 -14.361 1.00 11.24 N ATOM 146 CA TYR A 12 25.141 -15.009 -13.500 1.00 75.21 C ATOM 147 C TYR A 12 25.362 -16.518 -13.560 1.00 15.42 C ATOM 148 O TYR A 12 24.483 -17.268 -13.984 1.00 1.32 O ATOM 149 CB TYR A 12 24.873 -14.578 -12.057 1.00 23.40 C ATOM 150 CG TYR A 12 23.490 -14.939 -11.563 1.00 65.55 C ATOM 151 CD1 TYR A 12 23.124 -16.266 -11.371 1.00 3.33 C ATOM 152 CD2 TYR A 12 22.550 -13.954 -11.289 1.00 3.21 C ATOM 153 CE1 TYR A 12 21.862 -16.600 -10.921 1.00 32.03 C ATOM 154 CE2 TYR A 12 21.286 -14.279 -10.837 1.00 52.22 C ATOM 155 CZ TYR A 12 20.946 -15.603 -10.655 1.00 62.21 C ATOM 156 OH TYR A 12 19.688 -15.932 -10.205 1.00 40.04 O ATOM 0 H TYR A 12 23.564 -15.386 -14.831 1.00 11.24 H new ATOM 0 HA TYR A 12 26.043 -14.513 -13.858 1.00 75.21 H new ATOM 0 HB2 TYR A 12 25.614 -15.040 -11.405 1.00 23.40 H new ATOM 0 HB3 TYR A 12 25.008 -13.499 -11.978 1.00 23.40 H new ATOM 0 HD1 TYR A 12 23.839 -17.049 -11.577 1.00 3.33 H new ATOM 0 HD2 TYR A 12 22.812 -12.916 -11.432 1.00 3.21 H new ATOM 0 HE1 TYR A 12 21.593 -17.636 -10.778 1.00 32.03 H new ATOM 0 HE2 TYR A 12 20.568 -13.500 -10.627 1.00 52.22 H new ATOM 0 HH TYR A 12 19.347 -15.213 -9.633 1.00 40.04 H new ATOM 166 N GLU A 13 26.542 -16.954 -13.131 1.00 11.40 N ATOM 167 CA GLU A 13 26.879 -18.372 -13.136 1.00 21.34 C ATOM 168 C GLU A 13 27.851 -18.704 -12.007 1.00 63.11 C ATOM 169 O GLU A 13 28.664 -17.869 -11.609 1.00 21.44 O ATOM 170 CB GLU A 13 27.488 -18.770 -14.482 1.00 22.13 C ATOM 171 CG GLU A 13 28.920 -18.295 -14.666 1.00 72.51 C ATOM 172 CD GLU A 13 29.036 -16.784 -14.680 1.00 10.43 C ATOM 173 OE1 GLU A 13 28.371 -16.144 -15.522 1.00 24.44 O ATOM 174 OE2 GLU A 13 29.792 -16.240 -13.847 1.00 41.14 O ATOM 0 H GLU A 13 27.280 -16.346 -12.776 1.00 11.40 H new ATOM 0 HA GLU A 13 25.961 -18.938 -12.980 1.00 21.34 H new ATOM 0 HB2 GLU A 13 27.459 -19.855 -14.578 1.00 22.13 H new ATOM 0 HB3 GLU A 13 26.873 -18.363 -15.284 1.00 22.13 H new ATOM 0 HG2 GLU A 13 29.538 -18.696 -13.862 1.00 72.51 H new ATOM 0 HG3 GLU A 13 29.314 -18.695 -15.600 1.00 72.51 H new ATOM 181 N ILE A 14 27.761 -19.928 -11.497 1.00 14.52 N ATOM 182 CA ILE A 14 28.632 -20.370 -10.415 1.00 53.01 C ATOM 183 C ILE A 14 29.592 -21.455 -10.891 1.00 75.12 C ATOM 184 O ILE A 14 29.213 -22.342 -11.657 1.00 13.22 O ATOM 185 CB ILE A 14 27.819 -20.906 -9.222 1.00 24.43 C ATOM 186 CG1 ILE A 14 27.111 -19.757 -8.502 1.00 34.45 C ATOM 187 CG2 ILE A 14 28.725 -21.662 -8.261 1.00 65.12 C ATOM 188 CD1 ILE A 14 25.896 -19.240 -9.239 1.00 51.44 C ATOM 0 H ILE A 14 27.094 -20.631 -11.816 1.00 14.52 H new ATOM 0 HA ILE A 14 29.203 -19.499 -10.093 1.00 53.01 H new ATOM 0 HB ILE A 14 27.063 -21.596 -9.597 1.00 24.43 H new ATOM 0 HG12 ILE A 14 26.809 -20.092 -7.510 1.00 34.45 H new ATOM 0 HG13 ILE A 14 27.816 -18.938 -8.361 1.00 34.45 H new ATOM 0 HG21 ILE A 14 28.136 -22.035 -7.423 1.00 65.12 H new ATOM 0 HG22 ILE A 14 29.188 -22.501 -8.781 1.00 65.12 H new ATOM 0 HG23 ILE A 14 29.501 -20.993 -7.890 1.00 65.12 H new ATOM 0 HD11 ILE A 14 25.444 -18.427 -8.671 1.00 51.44 H new ATOM 0 HD12 ILE A 14 26.195 -18.874 -10.221 1.00 51.44 H new ATOM 0 HD13 ILE A 14 25.172 -20.046 -9.357 1.00 51.44 H new ATOM 200 N PHE A 15 30.836 -21.380 -10.431 1.00 40.24 N ATOM 201 CA PHE A 15 31.851 -22.356 -10.809 1.00 61.33 C ATOM 202 C PHE A 15 32.275 -23.194 -9.606 1.00 54.13 C ATOM 203 O PHE A 15 32.383 -22.687 -8.490 1.00 70.34 O ATOM 204 CB PHE A 15 33.070 -21.651 -11.408 1.00 54.04 C ATOM 205 CG PHE A 15 32.988 -21.475 -12.898 1.00 1.43 C ATOM 206 CD1 PHE A 15 33.427 -22.474 -13.752 1.00 10.51 C ATOM 207 CD2 PHE A 15 32.472 -20.310 -13.444 1.00 21.44 C ATOM 208 CE1 PHE A 15 33.354 -22.313 -15.123 1.00 33.33 C ATOM 209 CE2 PHE A 15 32.396 -20.145 -14.814 1.00 11.22 C ATOM 210 CZ PHE A 15 32.836 -21.148 -15.654 1.00 65.23 C ATOM 0 H PHE A 15 31.166 -20.653 -9.796 1.00 40.24 H new ATOM 0 HA PHE A 15 31.419 -23.020 -11.558 1.00 61.33 H new ATOM 0 HB2 PHE A 15 33.180 -20.673 -10.940 1.00 54.04 H new ATOM 0 HB3 PHE A 15 33.966 -22.223 -11.166 1.00 54.04 H new ATOM 0 HD1 PHE A 15 33.830 -23.388 -13.342 1.00 10.51 H new ATOM 0 HD2 PHE A 15 32.125 -19.522 -12.791 1.00 21.44 H new ATOM 0 HE1 PHE A 15 33.702 -23.098 -15.778 1.00 33.33 H new ATOM 0 HE2 PHE A 15 31.993 -19.232 -15.227 1.00 11.22 H new ATOM 0 HZ PHE A 15 32.775 -21.022 -16.725 1.00 65.23 H new ATOM 220 N GLY A 16 32.512 -24.481 -9.843 1.00 4.44 N ATOM 221 CA GLY A 16 32.921 -25.369 -8.770 1.00 15.21 C ATOM 222 C GLY A 16 32.274 -26.736 -8.872 1.00 21.04 C ATOM 223 O GLY A 16 32.328 -27.381 -9.919 1.00 43.21 O ATOM 0 H GLY A 16 32.428 -24.924 -10.758 1.00 4.44 H new ATOM 0 HA2 GLY A 16 34.005 -25.481 -8.788 1.00 15.21 H new ATOM 0 HA3 GLY A 16 32.663 -24.919 -7.811 1.00 15.21 H new ATOM 227 N LYS A 17 31.661 -27.182 -7.780 1.00 43.31 N ATOM 228 CA LYS A 17 31.002 -28.482 -7.749 1.00 55.43 C ATOM 229 C LYS A 17 29.524 -28.350 -8.105 1.00 61.41 C ATOM 230 O LYS A 17 28.661 -28.919 -7.436 1.00 62.10 O ATOM 231 CB LYS A 17 31.149 -29.119 -6.366 1.00 2.33 C ATOM 232 CG LYS A 17 30.760 -30.586 -6.327 1.00 65.54 C ATOM 233 CD LYS A 17 31.956 -31.487 -6.589 1.00 40.04 C ATOM 234 CE LYS A 17 31.567 -32.957 -6.547 1.00 54.34 C ATOM 235 NZ LYS A 17 31.413 -33.450 -5.151 1.00 15.03 N ATOM 0 H LYS A 17 31.607 -26.661 -6.904 1.00 43.31 H new ATOM 0 HA LYS A 17 31.481 -29.122 -8.489 1.00 55.43 H new ATOM 0 HB2 LYS A 17 32.183 -29.017 -6.037 1.00 2.33 H new ATOM 0 HB3 LYS A 17 30.532 -28.569 -5.655 1.00 2.33 H new ATOM 0 HG2 LYS A 17 30.330 -30.824 -5.354 1.00 65.54 H new ATOM 0 HG3 LYS A 17 29.988 -30.779 -7.072 1.00 65.54 H new ATOM 0 HD2 LYS A 17 32.384 -31.251 -7.563 1.00 40.04 H new ATOM 0 HD3 LYS A 17 32.729 -31.293 -5.845 1.00 40.04 H new ATOM 0 HE2 LYS A 17 30.632 -33.101 -7.088 1.00 54.34 H new ATOM 0 HE3 LYS A 17 32.326 -33.548 -7.059 1.00 54.34 H new ATOM 0 HZ1 LYS A 17 31.148 -34.455 -5.165 1.00 15.03 H new ATOM 0 HZ2 LYS A 17 32.313 -33.336 -4.642 1.00 15.03 H new ATOM 0 HZ3 LYS A 17 30.671 -32.903 -4.670 1.00 15.03 H new ATOM 249 N VAL A 18 29.239 -27.599 -9.164 1.00 4.53 N ATOM 250 CA VAL A 18 27.866 -27.395 -9.610 1.00 23.20 C ATOM 251 C VAL A 18 27.607 -28.107 -10.933 1.00 23.32 C ATOM 252 O VAL A 18 26.812 -27.647 -11.751 1.00 15.32 O ATOM 253 CB VAL A 18 27.546 -25.898 -9.774 1.00 55.33 C ATOM 254 CG1 VAL A 18 27.412 -25.228 -8.415 1.00 41.32 C ATOM 255 CG2 VAL A 18 28.614 -25.213 -10.613 1.00 24.13 C ATOM 0 H VAL A 18 29.941 -27.122 -9.729 1.00 4.53 H new ATOM 0 HA VAL A 18 27.217 -27.815 -8.841 1.00 23.20 H new ATOM 0 HB VAL A 18 26.593 -25.803 -10.294 1.00 55.33 H new ATOM 0 HG11 VAL A 18 27.186 -24.170 -8.551 1.00 41.32 H new ATOM 0 HG12 VAL A 18 26.607 -25.702 -7.854 1.00 41.32 H new ATOM 0 HG13 VAL A 18 28.347 -25.331 -7.865 1.00 41.32 H new ATOM 0 HG21 VAL A 18 28.371 -24.156 -10.718 1.00 24.13 H new ATOM 0 HG22 VAL A 18 29.583 -25.316 -10.124 1.00 24.13 H new ATOM 0 HG23 VAL A 18 28.655 -25.676 -11.599 1.00 24.13 H new ATOM 265 N GLN A 19 28.284 -29.233 -11.135 1.00 63.00 N ATOM 266 CA GLN A 19 28.127 -30.009 -12.359 1.00 40.05 C ATOM 267 C GLN A 19 27.565 -31.394 -12.058 1.00 21.33 C ATOM 268 O GLN A 19 28.210 -32.206 -11.394 1.00 55.43 O ATOM 269 CB GLN A 19 29.469 -30.136 -13.083 1.00 75.44 C ATOM 270 CG GLN A 19 30.609 -30.574 -12.178 1.00 40.25 C ATOM 271 CD GLN A 19 31.957 -30.517 -12.870 1.00 20.42 C ATOM 272 OE1 GLN A 19 32.101 -29.898 -13.924 1.00 65.23 O ATOM 273 NE2 GLN A 19 32.954 -31.165 -12.278 1.00 33.31 N ATOM 0 H GLN A 19 28.946 -29.628 -10.467 1.00 63.00 H new ATOM 0 HA GLN A 19 27.422 -29.484 -13.004 1.00 40.05 H new ATOM 0 HB2 GLN A 19 29.367 -30.853 -13.897 1.00 75.44 H new ATOM 0 HB3 GLN A 19 29.722 -29.176 -13.533 1.00 75.44 H new ATOM 0 HG2 GLN A 19 30.631 -29.937 -11.294 1.00 40.25 H new ATOM 0 HG3 GLN A 19 30.424 -31.591 -11.833 1.00 40.25 H new ATOM 0 HE21 GLN A 19 32.790 -31.665 -11.405 1.00 33.31 H new ATOM 0 HE22 GLN A 19 33.884 -31.162 -12.697 1.00 33.31 H new ATOM 282 N GLY A 20 26.358 -31.658 -12.549 1.00 62.24 N ATOM 283 CA GLY A 20 25.730 -32.946 -12.321 1.00 75.12 C ATOM 284 C GLY A 20 24.860 -32.955 -11.080 1.00 1.05 C ATOM 285 O GLY A 20 24.631 -34.006 -10.480 1.00 45.23 O ATOM 0 H GLY A 20 25.804 -31.003 -13.101 1.00 62.24 H new ATOM 0 HA2 GLY A 20 25.124 -33.210 -13.188 1.00 75.12 H new ATOM 0 HA3 GLY A 20 26.501 -33.711 -12.226 1.00 75.12 H new ATOM 289 N VAL A 21 24.375 -31.780 -10.690 1.00 72.33 N ATOM 290 CA VAL A 21 23.526 -31.656 -9.511 1.00 61.43 C ATOM 291 C VAL A 21 22.102 -31.273 -9.897 1.00 51.11 C ATOM 292 O VAL A 21 21.768 -31.192 -11.079 1.00 71.04 O ATOM 293 CB VAL A 21 24.080 -30.608 -8.529 1.00 1.25 C ATOM 294 CG1 VAL A 21 25.481 -30.988 -8.075 1.00 62.41 C ATOM 295 CG2 VAL A 21 24.074 -29.226 -9.165 1.00 34.10 C ATOM 0 H VAL A 21 24.556 -30.900 -11.174 1.00 72.33 H new ATOM 0 HA VAL A 21 23.517 -32.631 -9.023 1.00 61.43 H new ATOM 0 HB VAL A 21 23.434 -30.582 -7.651 1.00 1.25 H new ATOM 0 HG11 VAL A 21 25.855 -30.235 -7.381 1.00 62.41 H new ATOM 0 HG12 VAL A 21 25.452 -31.957 -7.577 1.00 62.41 H new ATOM 0 HG13 VAL A 21 26.141 -31.044 -8.940 1.00 62.41 H new ATOM 0 HG21 VAL A 21 24.469 -28.498 -8.457 1.00 34.10 H new ATOM 0 HG22 VAL A 21 24.695 -29.235 -10.061 1.00 34.10 H new ATOM 0 HG23 VAL A 21 23.053 -28.954 -9.434 1.00 34.10 H new ATOM 305 N PHE A 22 21.266 -31.037 -8.892 1.00 14.03 N ATOM 306 CA PHE A 22 19.876 -30.662 -9.125 1.00 51.03 C ATOM 307 C PHE A 22 19.638 -29.200 -8.758 1.00 31.20 C ATOM 308 O PHE A 22 18.714 -28.879 -8.011 1.00 55.40 O ATOM 309 CB PHE A 22 18.940 -31.562 -8.316 1.00 53.20 C ATOM 310 CG PHE A 22 19.372 -31.748 -6.890 1.00 30.13 C ATOM 311 CD1 PHE A 22 20.258 -32.757 -6.547 1.00 14.15 C ATOM 312 CD2 PHE A 22 18.893 -30.914 -5.892 1.00 63.12 C ATOM 313 CE1 PHE A 22 20.656 -32.931 -5.235 1.00 3.13 C ATOM 314 CE2 PHE A 22 19.289 -31.083 -4.579 1.00 12.04 C ATOM 315 CZ PHE A 22 20.172 -32.092 -4.250 1.00 24.23 C ATOM 0 H PHE A 22 21.527 -31.099 -7.908 1.00 14.03 H new ATOM 0 HA PHE A 22 19.664 -30.791 -10.186 1.00 51.03 H new ATOM 0 HB2 PHE A 22 17.937 -31.136 -8.331 1.00 53.20 H new ATOM 0 HB3 PHE A 22 18.879 -32.537 -8.799 1.00 53.20 H new ATOM 0 HD1 PHE A 22 20.642 -33.414 -7.313 1.00 14.15 H new ATOM 0 HD2 PHE A 22 18.202 -30.123 -6.143 1.00 63.12 H new ATOM 0 HE1 PHE A 22 21.345 -33.723 -4.980 1.00 3.13 H new ATOM 0 HE2 PHE A 22 18.908 -30.426 -3.811 1.00 12.04 H new ATOM 0 HZ PHE A 22 20.484 -32.225 -3.225 1.00 24.23 H new ATOM 325 N PHE A 23 20.479 -28.319 -9.288 1.00 43.31 N ATOM 326 CA PHE A 23 20.363 -26.891 -9.016 1.00 15.24 C ATOM 327 C PHE A 23 19.038 -26.344 -9.540 1.00 2.50 C ATOM 328 O PHE A 23 18.549 -25.316 -9.070 1.00 44.02 O ATOM 329 CB PHE A 23 21.529 -26.132 -9.652 1.00 12.43 C ATOM 330 CG PHE A 23 21.586 -26.265 -11.147 1.00 5.34 C ATOM 331 CD1 PHE A 23 20.779 -25.483 -11.957 1.00 2.33 C ATOM 332 CD2 PHE A 23 22.448 -27.172 -11.742 1.00 32.42 C ATOM 333 CE1 PHE A 23 20.830 -25.602 -13.333 1.00 21.41 C ATOM 334 CE2 PHE A 23 22.503 -27.296 -13.117 1.00 64.22 C ATOM 335 CZ PHE A 23 21.693 -26.511 -13.914 1.00 33.24 C ATOM 0 H PHE A 23 21.249 -28.569 -9.909 1.00 43.31 H new ATOM 0 HA PHE A 23 20.393 -26.749 -7.936 1.00 15.24 H new ATOM 0 HB2 PHE A 23 21.450 -25.076 -9.392 1.00 12.43 H new ATOM 0 HB3 PHE A 23 22.464 -26.496 -9.227 1.00 12.43 H new ATOM 0 HD1 PHE A 23 20.102 -24.772 -11.508 1.00 2.33 H new ATOM 0 HD2 PHE A 23 23.084 -27.789 -11.124 1.00 32.42 H new ATOM 0 HE1 PHE A 23 20.196 -24.985 -13.953 1.00 21.41 H new ATOM 0 HE2 PHE A 23 23.179 -28.007 -13.569 1.00 64.22 H new ATOM 0 HZ PHE A 23 21.734 -26.608 -14.989 1.00 33.24 H new ATOM 345 N ARG A 24 18.463 -27.037 -10.517 1.00 25.40 N ATOM 346 CA ARG A 24 17.197 -26.621 -11.107 1.00 41.21 C ATOM 347 C ARG A 24 16.025 -27.327 -10.432 1.00 55.42 C ATOM 348 O ARG A 24 15.060 -27.719 -11.089 1.00 41.24 O ATOM 349 CB ARG A 24 17.188 -26.916 -12.608 1.00 41.42 C ATOM 350 CG ARG A 24 17.289 -28.396 -12.939 1.00 5.32 C ATOM 351 CD ARG A 24 17.166 -28.642 -14.434 1.00 71.23 C ATOM 352 NE ARG A 24 18.469 -28.829 -15.068 1.00 14.23 N ATOM 353 CZ ARG A 24 18.636 -29.428 -16.241 1.00 60.32 C ATOM 354 NH1 ARG A 24 17.589 -29.896 -16.906 1.00 35.43 N ATOM 355 NH2 ARG A 24 19.853 -29.560 -16.753 1.00 23.25 N ATOM 0 H ARG A 24 18.854 -27.890 -10.917 1.00 25.40 H new ATOM 0 HA ARG A 24 17.089 -25.547 -10.954 1.00 41.21 H new ATOM 0 HB2 ARG A 24 16.271 -26.517 -13.042 1.00 41.42 H new ATOM 0 HB3 ARG A 24 18.019 -26.390 -13.078 1.00 41.42 H new ATOM 0 HG2 ARG A 24 18.243 -28.785 -12.582 1.00 5.32 H new ATOM 0 HG3 ARG A 24 16.505 -28.942 -12.414 1.00 5.32 H new ATOM 0 HD2 ARG A 24 16.549 -29.524 -14.607 1.00 71.23 H new ATOM 0 HD3 ARG A 24 16.654 -27.799 -14.899 1.00 71.23 H new ATOM 0 HE ARG A 24 19.296 -28.480 -14.583 1.00 14.23 H new ATOM 0 HH11 ARG A 24 16.651 -29.796 -16.517 1.00 35.43 H new ATOM 0 HH12 ARG A 24 17.721 -30.356 -17.807 1.00 35.43 H new ATOM 0 HH21 ARG A 24 20.662 -29.201 -16.245 1.00 23.25 H new ATOM 0 HH22 ARG A 24 19.980 -30.020 -17.654 1.00 23.25 H new ATOM 369 N LYS A 25 16.115 -27.486 -9.116 1.00 55.52 N ATOM 370 CA LYS A 25 15.062 -28.143 -8.351 1.00 20.03 C ATOM 371 C LYS A 25 14.756 -27.371 -7.071 1.00 42.44 C ATOM 372 O LYS A 25 13.595 -27.213 -6.692 1.00 43.10 O ATOM 373 CB LYS A 25 15.472 -29.577 -8.008 1.00 4.14 C ATOM 374 CG LYS A 25 15.150 -30.580 -9.102 1.00 22.04 C ATOM 375 CD LYS A 25 15.042 -31.992 -8.550 1.00 11.45 C ATOM 376 CE LYS A 25 13.653 -32.268 -7.996 1.00 34.43 C ATOM 377 NZ LYS A 25 13.390 -33.728 -7.861 1.00 0.03 N ATOM 0 H LYS A 25 16.907 -27.169 -8.557 1.00 55.52 H new ATOM 0 HA LYS A 25 14.162 -28.165 -8.965 1.00 20.03 H new ATOM 0 HB2 LYS A 25 16.543 -29.602 -7.808 1.00 4.14 H new ATOM 0 HB3 LYS A 25 14.969 -29.880 -7.090 1.00 4.14 H new ATOM 0 HG2 LYS A 25 14.212 -30.305 -9.585 1.00 22.04 H new ATOM 0 HG3 LYS A 25 15.925 -30.546 -9.868 1.00 22.04 H new ATOM 0 HD2 LYS A 25 15.270 -32.710 -9.337 1.00 11.45 H new ATOM 0 HD3 LYS A 25 15.784 -32.134 -7.764 1.00 11.45 H new ATOM 0 HE2 LYS A 25 13.548 -31.789 -7.023 1.00 34.43 H new ATOM 0 HE3 LYS A 25 12.905 -31.823 -8.653 1.00 34.43 H new ATOM 0 HZ1 LYS A 25 12.433 -33.875 -7.480 1.00 0.03 H new ATOM 0 HZ2 LYS A 25 13.465 -34.182 -8.794 1.00 0.03 H new ATOM 0 HZ3 LYS A 25 14.088 -34.148 -7.215 1.00 0.03 H new ATOM 391 N HIS A 26 15.805 -26.890 -6.411 1.00 13.32 N ATOM 392 CA HIS A 26 15.647 -26.131 -5.175 1.00 24.53 C ATOM 393 C HIS A 26 15.487 -24.643 -5.467 1.00 55.33 C ATOM 394 O HIS A 26 14.905 -23.902 -4.674 1.00 3.14 O ATOM 395 CB HIS A 26 16.850 -26.356 -4.257 1.00 52.24 C ATOM 396 CG HIS A 26 16.555 -26.105 -2.811 1.00 15.13 C ATOM 397 ND1 HIS A 26 16.966 -24.970 -2.145 1.00 14.35 N ATOM 398 CD2 HIS A 26 15.883 -26.850 -1.902 1.00 73.00 C ATOM 399 CE1 HIS A 26 16.561 -25.028 -0.888 1.00 60.23 C ATOM 400 NE2 HIS A 26 15.901 -26.159 -0.715 1.00 60.24 N ATOM 0 H HIS A 26 16.772 -27.012 -6.711 1.00 13.32 H new ATOM 0 HA HIS A 26 14.745 -26.483 -4.674 1.00 24.53 H new ATOM 0 HB2 HIS A 26 17.200 -27.381 -4.375 1.00 52.24 H new ATOM 0 HB3 HIS A 26 17.664 -25.703 -4.572 1.00 52.24 H new ATOM 0 HD2 HIS A 26 15.419 -27.809 -2.078 1.00 73.00 H new ATOM 0 HE1 HIS A 26 16.739 -24.278 -0.131 1.00 60.23 H new ATOM 0 HE2 HIS A 26 15.474 -26.469 0.158 1.00 60.24 H new ATOM 408 N THR A 27 16.006 -24.210 -6.612 1.00 50.11 N ATOM 409 CA THR A 27 15.922 -22.810 -7.009 1.00 11.04 C ATOM 410 C THR A 27 14.476 -22.395 -7.257 1.00 43.20 C ATOM 411 O THR A 27 14.067 -21.293 -6.892 1.00 35.42 O ATOM 412 CB THR A 27 16.749 -22.535 -8.279 1.00 34.31 C ATOM 413 OG1 THR A 27 18.126 -22.849 -8.044 1.00 50.53 O ATOM 414 CG2 THR A 27 16.619 -21.081 -8.705 1.00 4.55 C ATOM 0 H THR A 27 16.489 -24.809 -7.281 1.00 50.11 H new ATOM 0 HA THR A 27 16.329 -22.223 -6.186 1.00 11.04 H new ATOM 0 HB THR A 27 16.365 -23.166 -9.080 1.00 34.31 H new ATOM 0 HG1 THR A 27 18.356 -23.680 -8.510 1.00 50.53 H new ATOM 0 HG21 THR A 27 17.212 -20.911 -9.604 1.00 4.55 H new ATOM 0 HG22 THR A 27 15.573 -20.855 -8.912 1.00 4.55 H new ATOM 0 HG23 THR A 27 16.979 -20.434 -7.905 1.00 4.55 H new ATOM 422 N GLN A 28 13.709 -23.284 -7.880 1.00 11.45 N ATOM 423 CA GLN A 28 12.308 -23.008 -8.176 1.00 41.13 C ATOM 424 C GLN A 28 11.521 -22.751 -6.896 1.00 33.34 C ATOM 425 O GLN A 28 10.601 -21.934 -6.874 1.00 43.42 O ATOM 426 CB GLN A 28 11.688 -24.176 -8.945 1.00 22.22 C ATOM 427 CG GLN A 28 10.181 -24.065 -9.110 1.00 1.44 C ATOM 428 CD GLN A 28 9.421 -24.645 -7.934 1.00 31.25 C ATOM 429 OE1 GLN A 28 10.015 -25.200 -7.008 1.00 73.15 O ATOM 430 NE2 GLN A 28 8.099 -24.520 -7.963 1.00 2.03 N ATOM 0 H GLN A 28 14.033 -24.200 -8.189 1.00 11.45 H new ATOM 0 HA GLN A 28 12.263 -22.111 -8.794 1.00 41.13 H new ATOM 0 HB2 GLN A 28 12.149 -24.237 -9.931 1.00 22.22 H new ATOM 0 HB3 GLN A 28 11.921 -25.106 -8.426 1.00 22.22 H new ATOM 0 HG2 GLN A 28 9.909 -23.017 -9.232 1.00 1.44 H new ATOM 0 HG3 GLN A 28 9.880 -24.581 -10.022 1.00 1.44 H new ATOM 0 HE21 GLN A 28 7.648 -24.053 -8.750 1.00 2.03 H new ATOM 0 HE22 GLN A 28 7.535 -24.891 -7.199 1.00 2.03 H new ATOM 439 N ALA A 29 11.888 -23.456 -5.830 1.00 54.40 N ATOM 440 CA ALA A 29 11.217 -23.303 -4.545 1.00 54.31 C ATOM 441 C ALA A 29 11.534 -21.949 -3.918 1.00 34.41 C ATOM 442 O ALA A 29 10.631 -21.178 -3.597 1.00 54.42 O ATOM 443 CB ALA A 29 11.616 -24.429 -3.604 1.00 31.52 C ATOM 0 H ALA A 29 12.646 -24.138 -5.831 1.00 54.40 H new ATOM 0 HA ALA A 29 10.142 -23.352 -4.716 1.00 54.31 H new ATOM 0 HB1 ALA A 29 11.107 -24.302 -2.648 1.00 31.52 H new ATOM 0 HB2 ALA A 29 11.333 -25.386 -4.041 1.00 31.52 H new ATOM 0 HB3 ALA A 29 12.694 -24.407 -3.447 1.00 31.52 H new ATOM 449 N GLU A 30 12.822 -21.669 -3.745 1.00 73.34 N ATOM 450 CA GLU A 30 13.256 -20.409 -3.155 1.00 22.04 C ATOM 451 C GLU A 30 12.842 -19.228 -4.027 1.00 42.34 C ATOM 452 O GLU A 30 12.653 -18.115 -3.537 1.00 22.53 O ATOM 453 CB GLU A 30 14.774 -20.407 -2.961 1.00 60.23 C ATOM 454 CG GLU A 30 15.552 -20.238 -4.255 1.00 42.43 C ATOM 455 CD GLU A 30 17.053 -20.221 -4.036 1.00 35.11 C ATOM 456 OE1 GLU A 30 17.568 -19.200 -3.536 1.00 23.04 O ATOM 457 OE2 GLU A 30 17.711 -21.230 -4.365 1.00 34.42 O ATOM 0 H GLU A 30 13.582 -22.297 -4.005 1.00 73.34 H new ATOM 0 HA GLU A 30 12.773 -20.307 -2.183 1.00 22.04 H new ATOM 0 HB2 GLU A 30 15.043 -19.602 -2.277 1.00 60.23 H new ATOM 0 HB3 GLU A 30 15.073 -21.342 -2.487 1.00 60.23 H new ATOM 0 HG2 GLU A 30 15.297 -21.050 -4.936 1.00 42.43 H new ATOM 0 HG3 GLU A 30 15.249 -19.309 -4.738 1.00 42.43 H new ATOM 464 N GLY A 31 12.704 -19.478 -5.326 1.00 32.42 N ATOM 465 CA GLY A 31 12.314 -18.427 -6.247 1.00 1.10 C ATOM 466 C GLY A 31 10.964 -17.828 -5.906 1.00 2.25 C ATOM 467 O GLY A 31 10.683 -16.678 -6.245 1.00 35.32 O ATOM 0 H GLY A 31 12.856 -20.390 -5.757 1.00 32.42 H new ATOM 0 HA2 GLY A 31 13.069 -17.641 -6.238 1.00 1.10 H new ATOM 0 HA3 GLY A 31 12.284 -18.828 -7.260 1.00 1.10 H new ATOM 471 N LYS A 32 10.125 -18.609 -5.233 1.00 42.42 N ATOM 472 CA LYS A 32 8.797 -18.150 -4.845 1.00 54.14 C ATOM 473 C LYS A 32 8.870 -17.244 -3.621 1.00 12.24 C ATOM 474 O LYS A 32 8.003 -16.396 -3.410 1.00 54.41 O ATOM 475 CB LYS A 32 7.887 -19.345 -4.555 1.00 35.52 C ATOM 476 CG LYS A 32 6.414 -19.061 -4.795 1.00 31.41 C ATOM 477 CD LYS A 32 5.745 -18.498 -3.552 1.00 72.04 C ATOM 478 CE LYS A 32 4.261 -18.829 -3.520 1.00 33.11 C ATOM 479 NZ LYS A 32 4.015 -20.235 -3.094 1.00 2.32 N ATOM 0 H LYS A 32 10.342 -19.563 -4.945 1.00 42.42 H new ATOM 0 HA LYS A 32 8.381 -17.577 -5.674 1.00 54.14 H new ATOM 0 HB2 LYS A 32 8.193 -20.184 -5.180 1.00 35.52 H new ATOM 0 HB3 LYS A 32 8.025 -19.653 -3.518 1.00 35.52 H new ATOM 0 HG2 LYS A 32 6.308 -18.354 -5.618 1.00 31.41 H new ATOM 0 HG3 LYS A 32 5.910 -19.979 -5.096 1.00 31.41 H new ATOM 0 HD2 LYS A 32 6.228 -18.902 -2.663 1.00 72.04 H new ATOM 0 HD3 LYS A 32 5.878 -17.417 -3.524 1.00 72.04 H new ATOM 0 HE2 LYS A 32 3.752 -18.148 -2.838 1.00 33.11 H new ATOM 0 HE3 LYS A 32 3.832 -18.669 -4.509 1.00 33.11 H new ATOM 0 HZ1 LYS A 32 2.992 -20.421 -3.085 1.00 2.32 H new ATOM 0 HZ2 LYS A 32 4.479 -20.886 -3.759 1.00 2.32 H new ATOM 0 HZ3 LYS A 32 4.402 -20.381 -2.140 1.00 2.32 H new ATOM 493 N LYS A 33 9.911 -17.428 -2.816 1.00 11.52 N ATOM 494 CA LYS A 33 10.100 -16.625 -1.613 1.00 72.20 C ATOM 495 C LYS A 33 10.128 -15.138 -1.950 1.00 42.11 C ATOM 496 O LYS A 33 9.287 -14.369 -1.483 1.00 53.12 O ATOM 497 CB LYS A 33 11.398 -17.024 -0.908 1.00 21.02 C ATOM 498 CG LYS A 33 11.431 -18.479 -0.472 1.00 5.31 C ATOM 499 CD LYS A 33 12.811 -18.882 0.020 1.00 3.24 C ATOM 500 CE LYS A 33 13.022 -18.488 1.474 1.00 15.43 C ATOM 501 NZ LYS A 33 12.508 -19.526 2.410 1.00 2.23 N ATOM 0 H LYS A 33 10.637 -18.126 -2.975 1.00 11.52 H new ATOM 0 HA LYS A 33 9.259 -16.812 -0.945 1.00 72.20 H new ATOM 0 HB2 LYS A 33 12.238 -16.835 -1.577 1.00 21.02 H new ATOM 0 HB3 LYS A 33 11.537 -16.388 -0.034 1.00 21.02 H new ATOM 0 HG2 LYS A 33 10.700 -18.639 0.321 1.00 5.31 H new ATOM 0 HG3 LYS A 33 11.141 -19.117 -1.307 1.00 5.31 H new ATOM 0 HD2 LYS A 33 12.937 -19.959 -0.088 1.00 3.24 H new ATOM 0 HD3 LYS A 33 13.572 -18.409 -0.600 1.00 3.24 H new ATOM 0 HE2 LYS A 33 14.085 -18.329 1.657 1.00 15.43 H new ATOM 0 HE3 LYS A 33 12.519 -17.541 1.670 1.00 15.43 H new ATOM 0 HZ1 LYS A 33 12.670 -19.220 3.391 1.00 2.23 H new ATOM 0 HZ2 LYS A 33 11.489 -19.660 2.254 1.00 2.23 H new ATOM 0 HZ3 LYS A 33 13.005 -20.423 2.240 1.00 2.23 H new ATOM 515 N LEU A 34 11.099 -14.739 -2.764 1.00 4.12 N ATOM 516 CA LEU A 34 11.236 -13.343 -3.165 1.00 43.00 C ATOM 517 C LEU A 34 10.107 -12.933 -4.105 1.00 63.44 C ATOM 518 O LEU A 34 9.635 -11.798 -4.068 1.00 22.04 O ATOM 519 CB LEU A 34 12.588 -13.117 -3.844 1.00 62.21 C ATOM 520 CG LEU A 34 13.744 -12.722 -2.924 1.00 71.40 C ATOM 521 CD1 LEU A 34 13.437 -11.413 -2.213 1.00 61.52 C ATOM 522 CD2 LEU A 34 14.023 -13.827 -1.915 1.00 4.30 C ATOM 0 H LEU A 34 11.803 -15.362 -3.159 1.00 4.12 H new ATOM 0 HA LEU A 34 11.179 -12.726 -2.268 1.00 43.00 H new ATOM 0 HB2 LEU A 34 12.865 -14.031 -4.370 1.00 62.21 H new ATOM 0 HB3 LEU A 34 12.468 -12.339 -4.598 1.00 62.21 H new ATOM 0 HG LEU A 34 14.636 -12.580 -3.533 1.00 71.40 H new ATOM 0 HD11 LEU A 34 14.271 -11.148 -1.563 1.00 61.52 H new ATOM 0 HD12 LEU A 34 13.287 -10.625 -2.951 1.00 61.52 H new ATOM 0 HD13 LEU A 34 12.533 -11.527 -1.615 1.00 61.52 H new ATOM 0 HD21 LEU A 34 14.848 -13.529 -1.268 1.00 4.30 H new ATOM 0 HD22 LEU A 34 13.133 -14.001 -1.310 1.00 4.30 H new ATOM 0 HD23 LEU A 34 14.288 -14.743 -2.443 1.00 4.30 H new ATOM 534 N GLY A 35 9.677 -13.868 -4.948 1.00 2.11 N ATOM 535 CA GLY A 35 8.605 -13.586 -5.885 1.00 4.53 C ATOM 536 C GLY A 35 9.115 -13.024 -7.197 1.00 44.11 C ATOM 537 O GLY A 35 8.450 -12.203 -7.830 1.00 71.34 O ATOM 0 H GLY A 35 10.052 -14.815 -4.998 1.00 2.11 H new ATOM 0 HA2 GLY A 35 8.045 -14.501 -6.078 1.00 4.53 H new ATOM 0 HA3 GLY A 35 7.910 -12.877 -5.435 1.00 4.53 H new ATOM 541 N LEU A 36 10.300 -13.464 -7.607 1.00 32.44 N ATOM 542 CA LEU A 36 10.900 -12.999 -8.852 1.00 63.11 C ATOM 543 C LEU A 36 10.569 -13.944 -10.003 1.00 13.03 C ATOM 544 O LEU A 36 10.007 -15.020 -9.795 1.00 1.54 O ATOM 545 CB LEU A 36 12.417 -12.879 -8.696 1.00 63.44 C ATOM 546 CG LEU A 36 12.907 -12.086 -7.484 1.00 61.42 C ATOM 547 CD1 LEU A 36 14.427 -12.062 -7.441 1.00 40.21 C ATOM 548 CD2 LEU A 36 12.349 -10.671 -7.512 1.00 44.22 C ATOM 0 H LEU A 36 10.864 -14.142 -7.095 1.00 32.44 H new ATOM 0 HA LEU A 36 10.485 -12.017 -9.082 1.00 63.11 H new ATOM 0 HB2 LEU A 36 12.837 -13.883 -8.642 1.00 63.44 H new ATOM 0 HB3 LEU A 36 12.819 -12.414 -9.596 1.00 63.44 H new ATOM 0 HG LEU A 36 12.547 -12.579 -6.581 1.00 61.42 H new ATOM 0 HD11 LEU A 36 14.757 -11.493 -6.572 1.00 40.21 H new ATOM 0 HD12 LEU A 36 14.805 -13.082 -7.372 1.00 40.21 H new ATOM 0 HD13 LEU A 36 14.809 -11.594 -8.348 1.00 40.21 H new ATOM 0 HD21 LEU A 36 12.708 -10.121 -6.642 1.00 44.22 H new ATOM 0 HD22 LEU A 36 12.679 -10.168 -8.421 1.00 44.22 H new ATOM 0 HD23 LEU A 36 11.260 -10.709 -7.493 1.00 44.22 H new ATOM 560 N VAL A 37 10.922 -13.536 -11.217 1.00 41.15 N ATOM 561 CA VAL A 37 10.665 -14.347 -12.401 1.00 63.24 C ATOM 562 C VAL A 37 11.960 -14.668 -13.139 1.00 63.21 C ATOM 563 O VAL A 37 12.974 -13.995 -12.958 1.00 12.24 O ATOM 564 CB VAL A 37 9.699 -13.638 -13.369 1.00 34.54 C ATOM 565 CG1 VAL A 37 8.386 -13.316 -12.671 1.00 32.40 C ATOM 566 CG2 VAL A 37 10.337 -12.377 -13.930 1.00 71.01 C ATOM 0 H VAL A 37 11.387 -12.648 -11.407 1.00 41.15 H new ATOM 0 HA VAL A 37 10.207 -15.274 -12.056 1.00 63.24 H new ATOM 0 HB VAL A 37 9.486 -14.310 -14.200 1.00 34.54 H new ATOM 0 HG11 VAL A 37 7.716 -12.815 -13.370 1.00 32.40 H new ATOM 0 HG12 VAL A 37 7.923 -14.239 -12.322 1.00 32.40 H new ATOM 0 HG13 VAL A 37 8.577 -12.662 -11.820 1.00 32.40 H new ATOM 0 HG21 VAL A 37 9.640 -11.889 -14.612 1.00 71.01 H new ATOM 0 HG22 VAL A 37 10.581 -11.698 -13.113 1.00 71.01 H new ATOM 0 HG23 VAL A 37 11.248 -12.639 -14.468 1.00 71.01 H new ATOM 576 N GLY A 38 11.919 -15.703 -13.974 1.00 0.45 N ATOM 577 CA GLY A 38 13.095 -16.095 -14.727 1.00 65.21 C ATOM 578 C GLY A 38 13.061 -17.554 -15.138 1.00 54.22 C ATOM 579 O GLY A 38 12.037 -18.048 -15.610 1.00 72.03 O ATOM 0 H GLY A 38 11.092 -16.276 -14.142 1.00 0.45 H new ATOM 0 HA2 GLY A 38 13.177 -15.472 -15.617 1.00 65.21 H new ATOM 0 HA3 GLY A 38 13.985 -15.911 -14.126 1.00 65.21 H new ATOM 583 N TRP A 39 14.181 -18.244 -14.960 1.00 45.54 N ATOM 584 CA TRP A 39 14.275 -19.654 -15.318 1.00 63.42 C ATOM 585 C TRP A 39 15.608 -20.243 -14.868 1.00 41.43 C ATOM 586 O TRP A 39 16.496 -19.519 -14.416 1.00 71.40 O ATOM 587 CB TRP A 39 14.110 -19.831 -16.828 1.00 53.25 C ATOM 588 CG TRP A 39 15.293 -19.355 -17.615 1.00 42.04 C ATOM 589 CD1 TRP A 39 16.428 -20.061 -17.896 1.00 41.14 C ATOM 590 CD2 TRP A 39 15.459 -18.068 -18.220 1.00 52.13 C ATOM 591 NE1 TRP A 39 17.289 -19.290 -18.640 1.00 22.13 N ATOM 592 CE2 TRP A 39 16.718 -18.064 -18.853 1.00 14.44 C ATOM 593 CE3 TRP A 39 14.666 -16.920 -18.291 1.00 54.43 C ATOM 594 CZ2 TRP A 39 17.199 -16.955 -19.544 1.00 61.21 C ATOM 595 CZ3 TRP A 39 15.145 -15.820 -18.978 1.00 20.32 C ATOM 596 CH2 TRP A 39 16.402 -15.844 -19.597 1.00 74.55 C ATOM 0 H TRP A 39 15.037 -17.850 -14.570 1.00 45.54 H new ATOM 0 HA TRP A 39 13.473 -20.186 -14.807 1.00 63.42 H new ATOM 0 HB2 TRP A 39 13.938 -20.885 -17.046 1.00 53.25 H new ATOM 0 HB3 TRP A 39 13.223 -19.289 -17.155 1.00 53.25 H new ATOM 0 HD1 TRP A 39 16.621 -21.076 -17.580 1.00 41.14 H new ATOM 0 HE1 TRP A 39 18.205 -19.584 -18.979 1.00 22.13 H new ATOM 0 HE3 TRP A 39 13.696 -16.892 -17.817 1.00 54.43 H new ATOM 0 HZ2 TRP A 39 18.168 -16.971 -20.022 1.00 61.21 H new ATOM 0 HZ3 TRP A 39 14.540 -14.927 -19.039 1.00 20.32 H new ATOM 0 HH2 TRP A 39 16.748 -14.969 -20.126 1.00 74.55 H new ATOM 607 N VAL A 40 15.742 -21.559 -14.995 1.00 43.14 N ATOM 608 CA VAL A 40 16.968 -22.244 -14.603 1.00 2.11 C ATOM 609 C VAL A 40 17.324 -23.345 -15.595 1.00 31.51 C ATOM 610 O VAL A 40 16.479 -24.164 -15.956 1.00 64.43 O ATOM 611 CB VAL A 40 16.843 -22.857 -13.195 1.00 53.53 C ATOM 612 CG1 VAL A 40 18.185 -23.396 -12.726 1.00 3.31 C ATOM 613 CG2 VAL A 40 16.299 -21.829 -12.214 1.00 71.11 C ATOM 0 H VAL A 40 15.017 -22.172 -15.366 1.00 43.14 H new ATOM 0 HA VAL A 40 17.760 -21.495 -14.596 1.00 2.11 H new ATOM 0 HB VAL A 40 16.141 -23.690 -13.241 1.00 53.53 H new ATOM 0 HG11 VAL A 40 18.077 -23.825 -11.730 1.00 3.31 H new ATOM 0 HG12 VAL A 40 18.530 -24.165 -13.417 1.00 3.31 H new ATOM 0 HG13 VAL A 40 18.912 -22.585 -12.695 1.00 3.31 H new ATOM 0 HG21 VAL A 40 16.217 -22.278 -11.224 1.00 71.11 H new ATOM 0 HG22 VAL A 40 16.975 -20.975 -12.170 1.00 71.11 H new ATOM 0 HG23 VAL A 40 15.315 -21.496 -12.544 1.00 71.11 H new ATOM 623 N GLN A 41 18.579 -23.359 -16.031 1.00 25.04 N ATOM 624 CA GLN A 41 19.047 -24.361 -16.982 1.00 12.35 C ATOM 625 C GLN A 41 20.533 -24.644 -16.788 1.00 12.22 C ATOM 626 O GLN A 41 21.172 -24.077 -15.903 1.00 2.12 O ATOM 627 CB GLN A 41 18.787 -23.894 -18.415 1.00 30.10 C ATOM 628 CG GLN A 41 19.408 -22.545 -18.738 1.00 4.24 C ATOM 629 CD GLN A 41 19.894 -22.454 -20.171 1.00 0.42 C ATOM 630 OE1 GLN A 41 21.078 -22.646 -20.451 1.00 13.33 O ATOM 631 NE2 GLN A 41 18.980 -22.159 -21.088 1.00 62.42 N ATOM 0 H GLN A 41 19.290 -22.688 -15.741 1.00 25.04 H new ATOM 0 HA GLN A 41 18.494 -25.283 -16.802 1.00 12.35 H new ATOM 0 HB2 GLN A 41 19.178 -24.639 -19.108 1.00 30.10 H new ATOM 0 HB3 GLN A 41 17.711 -23.838 -18.580 1.00 30.10 H new ATOM 0 HG2 GLN A 41 18.675 -21.759 -18.556 1.00 4.24 H new ATOM 0 HG3 GLN A 41 20.244 -22.363 -18.063 1.00 4.24 H new ATOM 0 HE21 GLN A 41 18.010 -22.008 -20.811 1.00 62.42 H new ATOM 0 HE22 GLN A 41 19.248 -22.084 -22.069 1.00 62.42 H new ATOM 640 N ASN A 42 21.076 -25.525 -17.622 1.00 10.24 N ATOM 641 CA ASN A 42 22.487 -25.884 -17.541 1.00 42.01 C ATOM 642 C ASN A 42 23.228 -25.467 -18.808 1.00 74.33 C ATOM 643 O ASN A 42 22.617 -25.255 -19.857 1.00 3.23 O ATOM 644 CB ASN A 42 22.640 -27.390 -17.320 1.00 32.22 C ATOM 645 CG ASN A 42 22.540 -28.177 -18.612 1.00 74.50 C ATOM 646 OD1 ASN A 42 21.486 -28.216 -19.248 1.00 64.04 O ATOM 647 ND2 ASN A 42 23.639 -28.811 -19.006 1.00 14.53 N ATOM 0 H ASN A 42 20.561 -26.003 -18.361 1.00 10.24 H new ATOM 0 HA ASN A 42 22.923 -25.353 -16.695 1.00 42.01 H new ATOM 0 HB2 ASN A 42 23.603 -27.589 -16.850 1.00 32.22 H new ATOM 0 HB3 ASN A 42 21.871 -27.733 -16.628 1.00 32.22 H new ATOM 0 HD21 ASN A 42 23.631 -29.358 -19.867 1.00 14.53 H new ATOM 0 HD22 ASN A 42 24.490 -28.751 -18.448 1.00 14.53 H new ATOM 654 N THR A 43 24.548 -25.352 -18.705 1.00 61.50 N ATOM 655 CA THR A 43 25.372 -24.961 -19.841 1.00 45.04 C ATOM 656 C THR A 43 26.057 -26.171 -20.467 1.00 10.12 C ATOM 657 O THR A 43 25.971 -27.283 -19.946 1.00 32.02 O ATOM 658 CB THR A 43 26.445 -23.934 -19.430 1.00 73.33 C ATOM 659 OG1 THR A 43 27.457 -24.572 -18.643 1.00 41.33 O ATOM 660 CG2 THR A 43 25.825 -22.792 -18.640 1.00 2.21 C ATOM 0 H THR A 43 25.069 -25.524 -17.845 1.00 61.50 H new ATOM 0 HA THR A 43 24.705 -24.506 -20.573 1.00 45.04 H new ATOM 0 HB THR A 43 26.894 -23.526 -20.336 1.00 73.33 H new ATOM 0 HG1 THR A 43 27.891 -23.908 -18.068 1.00 41.33 H new ATOM 0 HG21 THR A 43 26.601 -22.079 -18.361 1.00 2.21 H new ATOM 0 HG22 THR A 43 25.076 -22.291 -19.252 1.00 2.21 H new ATOM 0 HG23 THR A 43 25.353 -23.186 -17.740 1.00 2.21 H new ATOM 668 N ASP A 44 26.737 -25.947 -21.586 1.00 21.12 N ATOM 669 CA ASP A 44 27.439 -27.020 -22.282 1.00 15.43 C ATOM 670 C ASP A 44 28.653 -27.482 -21.483 1.00 61.31 C ATOM 671 O ASP A 44 29.083 -28.630 -21.598 1.00 20.24 O ATOM 672 CB ASP A 44 27.874 -26.555 -23.672 1.00 52.13 C ATOM 673 CG ASP A 44 26.731 -26.560 -24.668 1.00 50.15 C ATOM 674 OD1 ASP A 44 26.151 -27.641 -24.900 1.00 62.22 O ATOM 675 OD2 ASP A 44 26.417 -25.483 -25.217 1.00 51.31 O ATOM 0 H ASP A 44 26.817 -25.033 -22.031 1.00 21.12 H new ATOM 0 HA ASP A 44 26.754 -27.862 -22.387 1.00 15.43 H new ATOM 0 HB2 ASP A 44 28.287 -25.549 -23.603 1.00 52.13 H new ATOM 0 HB3 ASP A 44 28.672 -27.203 -24.036 1.00 52.13 H new ATOM 680 N ARG A 45 29.202 -26.581 -20.675 1.00 42.04 N ATOM 681 CA ARG A 45 30.369 -26.896 -19.860 1.00 33.14 C ATOM 682 C ARG A 45 29.955 -27.590 -18.565 1.00 3.32 C ATOM 683 O ARG A 45 30.458 -28.663 -18.236 1.00 22.23 O ATOM 684 CB ARG A 45 31.153 -25.622 -19.540 1.00 64.33 C ATOM 685 CG ARG A 45 32.042 -25.153 -20.680 1.00 45.22 C ATOM 686 CD ARG A 45 31.232 -24.489 -21.782 1.00 14.52 C ATOM 687 NE ARG A 45 32.081 -23.783 -22.737 1.00 43.04 N ATOM 688 CZ ARG A 45 31.614 -23.140 -23.801 1.00 53.43 C ATOM 689 NH1 ARG A 45 30.311 -23.113 -24.044 1.00 55.41 N ATOM 690 NH2 ARG A 45 32.450 -22.521 -24.625 1.00 3.13 N ATOM 0 H ARG A 45 28.857 -25.627 -20.567 1.00 42.04 H new ATOM 0 HA ARG A 45 31.006 -27.573 -20.428 1.00 33.14 H new ATOM 0 HB2 ARG A 45 30.451 -24.827 -19.287 1.00 64.33 H new ATOM 0 HB3 ARG A 45 31.769 -25.796 -18.658 1.00 64.33 H new ATOM 0 HG2 ARG A 45 32.784 -24.451 -20.299 1.00 45.22 H new ATOM 0 HG3 ARG A 45 32.588 -26.003 -21.090 1.00 45.22 H new ATOM 0 HD2 ARG A 45 30.647 -25.244 -22.307 1.00 14.52 H new ATOM 0 HD3 ARG A 45 30.524 -23.788 -21.339 1.00 14.52 H new ATOM 0 HE ARG A 45 33.089 -23.784 -22.578 1.00 43.04 H new ATOM 0 HH11 ARG A 45 29.665 -23.587 -23.413 1.00 55.41 H new ATOM 0 HH12 ARG A 45 29.955 -22.618 -24.862 1.00 55.41 H new ATOM 0 HH21 ARG A 45 33.453 -22.539 -24.442 1.00 3.13 H new ATOM 0 HH22 ARG A 45 32.089 -22.028 -25.442 1.00 3.13 H new ATOM 704 N GLY A 46 29.036 -26.967 -17.833 1.00 75.45 N ATOM 705 CA GLY A 46 28.571 -27.539 -16.583 1.00 53.11 C ATOM 706 C GLY A 46 28.085 -26.484 -15.609 1.00 22.23 C ATOM 707 O GLY A 46 27.328 -26.783 -14.684 1.00 40.44 O ATOM 0 H GLY A 46 28.606 -26.077 -18.083 1.00 75.45 H new ATOM 0 HA2 GLY A 46 27.763 -28.241 -16.787 1.00 53.11 H new ATOM 0 HA3 GLY A 46 29.380 -28.108 -16.124 1.00 53.11 H new ATOM 711 N THR A 47 28.523 -25.245 -15.813 1.00 74.41 N ATOM 712 CA THR A 47 28.130 -24.143 -14.944 1.00 64.21 C ATOM 713 C THR A 47 26.613 -24.047 -14.829 1.00 4.22 C ATOM 714 O THR A 47 25.882 -24.748 -15.527 1.00 72.54 O ATOM 715 CB THR A 47 28.681 -22.799 -15.458 1.00 22.54 C ATOM 716 OG1 THR A 47 28.788 -22.827 -16.885 1.00 73.13 O ATOM 717 CG2 THR A 47 30.043 -22.505 -14.848 1.00 44.30 C ATOM 0 H THR A 47 29.150 -24.980 -16.573 1.00 74.41 H new ATOM 0 HA THR A 47 28.553 -24.349 -13.961 1.00 64.21 H new ATOM 0 HB THR A 47 27.989 -22.010 -15.162 1.00 22.54 H new ATOM 0 HG1 THR A 47 29.137 -21.969 -17.204 1.00 73.13 H new ATOM 0 HG21 THR A 47 30.412 -21.551 -15.225 1.00 44.30 H new ATOM 0 HG22 THR A 47 29.953 -22.456 -13.763 1.00 44.30 H new ATOM 0 HG23 THR A 47 30.741 -23.297 -15.118 1.00 44.30 H new ATOM 725 N VAL A 48 26.146 -23.173 -13.943 1.00 41.31 N ATOM 726 CA VAL A 48 24.715 -22.983 -13.738 1.00 21.22 C ATOM 727 C VAL A 48 24.288 -21.570 -14.118 1.00 72.12 C ATOM 728 O VAL A 48 24.138 -20.704 -13.257 1.00 34.11 O ATOM 729 CB VAL A 48 24.318 -23.251 -12.274 1.00 32.30 C ATOM 730 CG1 VAL A 48 22.827 -23.026 -12.075 1.00 74.15 C ATOM 731 CG2 VAL A 48 24.711 -24.663 -11.866 1.00 2.24 C ATOM 0 H VAL A 48 26.738 -22.585 -13.356 1.00 41.31 H new ATOM 0 HA VAL A 48 24.205 -23.699 -14.382 1.00 21.22 H new ATOM 0 HB VAL A 48 24.855 -22.549 -11.636 1.00 32.30 H new ATOM 0 HG11 VAL A 48 22.565 -23.220 -11.035 1.00 74.15 H new ATOM 0 HG12 VAL A 48 22.578 -21.995 -12.325 1.00 74.15 H new ATOM 0 HG13 VAL A 48 22.268 -23.702 -12.722 1.00 74.15 H new ATOM 0 HG21 VAL A 48 24.423 -24.835 -10.829 1.00 2.24 H new ATOM 0 HG22 VAL A 48 24.202 -25.382 -12.508 1.00 2.24 H new ATOM 0 HG23 VAL A 48 25.789 -24.784 -11.968 1.00 2.24 H new ATOM 741 N GLN A 49 24.093 -21.345 -15.414 1.00 22.24 N ATOM 742 CA GLN A 49 23.683 -20.036 -15.908 1.00 70.31 C ATOM 743 C GLN A 49 22.231 -19.746 -15.541 1.00 24.11 C ATOM 744 O GLN A 49 21.366 -20.612 -15.659 1.00 33.11 O ATOM 745 CB GLN A 49 23.862 -19.962 -17.425 1.00 43.43 C ATOM 746 CG GLN A 49 24.296 -18.591 -17.920 1.00 75.11 C ATOM 747 CD GLN A 49 23.818 -18.302 -19.330 1.00 5.24 C ATOM 748 OE1 GLN A 49 24.612 -18.266 -20.271 1.00 12.43 O ATOM 749 NE2 GLN A 49 22.516 -18.094 -19.483 1.00 51.01 N ATOM 0 H GLN A 49 24.212 -22.052 -16.140 1.00 22.24 H new ATOM 0 HA GLN A 49 24.315 -19.283 -15.437 1.00 70.31 H new ATOM 0 HB2 GLN A 49 24.602 -20.701 -17.732 1.00 43.43 H new ATOM 0 HB3 GLN A 49 22.923 -20.233 -17.907 1.00 43.43 H new ATOM 0 HG2 GLN A 49 23.910 -17.826 -17.246 1.00 75.11 H new ATOM 0 HG3 GLN A 49 25.384 -18.525 -17.888 1.00 75.11 H new ATOM 0 HE21 GLN A 49 21.895 -18.134 -18.675 1.00 51.01 H new ATOM 0 HE22 GLN A 49 22.137 -17.895 -20.409 1.00 51.01 H new ATOM 758 N GLY A 50 21.973 -18.521 -15.094 1.00 55.33 N ATOM 759 CA GLY A 50 20.625 -18.138 -14.716 1.00 74.41 C ATOM 760 C GLY A 50 20.362 -16.660 -14.922 1.00 51.23 C ATOM 761 O GLY A 50 21.210 -15.824 -14.611 1.00 54.34 O ATOM 0 H GLY A 50 22.673 -17.787 -14.987 1.00 55.33 H new ATOM 0 HA2 GLY A 50 19.909 -18.716 -15.301 1.00 74.41 H new ATOM 0 HA3 GLY A 50 20.459 -18.391 -13.669 1.00 74.41 H new ATOM 765 N GLN A 51 19.185 -16.337 -15.449 1.00 62.35 N ATOM 766 CA GLN A 51 18.815 -14.949 -15.699 1.00 21.21 C ATOM 767 C GLN A 51 17.718 -14.498 -14.741 1.00 54.20 C ATOM 768 O GLN A 51 16.552 -14.863 -14.899 1.00 71.41 O ATOM 769 CB GLN A 51 18.349 -14.776 -17.145 1.00 40.35 C ATOM 770 CG GLN A 51 18.376 -13.333 -17.624 1.00 72.24 C ATOM 771 CD GLN A 51 18.416 -13.221 -19.136 1.00 2.43 C ATOM 772 OE1 GLN A 51 18.919 -14.110 -19.823 1.00 23.03 O ATOM 773 NE2 GLN A 51 17.885 -12.124 -19.662 1.00 51.53 N ATOM 0 H GLN A 51 18.472 -17.017 -15.711 1.00 62.35 H new ATOM 0 HA GLN A 51 19.695 -14.328 -15.532 1.00 21.21 H new ATOM 0 HB2 GLN A 51 18.982 -15.378 -17.797 1.00 40.35 H new ATOM 0 HB3 GLN A 51 17.334 -15.163 -17.240 1.00 40.35 H new ATOM 0 HG2 GLN A 51 17.495 -12.813 -17.248 1.00 72.24 H new ATOM 0 HG3 GLN A 51 19.247 -12.831 -17.203 1.00 72.24 H new ATOM 0 HE21 GLN A 51 17.479 -11.412 -19.055 1.00 51.53 H new ATOM 0 HE22 GLN A 51 17.883 -11.993 -20.674 1.00 51.53 H new ATOM 782 N LEU A 52 18.097 -13.702 -13.747 1.00 61.13 N ATOM 783 CA LEU A 52 17.145 -13.200 -12.763 1.00 31.55 C ATOM 784 C LEU A 52 16.571 -11.855 -13.196 1.00 73.51 C ATOM 785 O LEU A 52 17.313 -10.929 -13.519 1.00 42.31 O ATOM 786 CB LEU A 52 17.819 -13.064 -11.396 1.00 53.41 C ATOM 787 CG LEU A 52 16.927 -12.575 -10.254 1.00 2.10 C ATOM 788 CD1 LEU A 52 15.995 -13.684 -9.793 1.00 32.34 C ATOM 789 CD2 LEU A 52 17.774 -12.071 -9.095 1.00 1.15 C ATOM 0 H LEU A 52 19.057 -13.390 -13.601 1.00 61.13 H new ATOM 0 HA LEU A 52 16.326 -13.916 -12.688 1.00 31.55 H new ATOM 0 HB2 LEU A 52 18.232 -14.034 -11.118 1.00 53.41 H new ATOM 0 HB3 LEU A 52 18.659 -12.377 -11.494 1.00 53.41 H new ATOM 0 HG LEU A 52 16.320 -11.748 -10.621 1.00 2.10 H new ATOM 0 HD11 LEU A 52 15.368 -13.318 -8.980 1.00 32.34 H new ATOM 0 HD12 LEU A 52 15.364 -13.998 -10.625 1.00 32.34 H new ATOM 0 HD13 LEU A 52 16.584 -14.532 -9.443 1.00 32.34 H new ATOM 0 HD21 LEU A 52 17.123 -11.727 -8.291 1.00 1.15 H new ATOM 0 HD22 LEU A 52 18.407 -12.879 -8.729 1.00 1.15 H new ATOM 0 HD23 LEU A 52 18.400 -11.245 -9.434 1.00 1.15 H new ATOM 801 N GLN A 53 15.245 -11.757 -13.199 1.00 3.35 N ATOM 802 CA GLN A 53 14.572 -10.524 -13.591 1.00 23.21 C ATOM 803 C GLN A 53 13.613 -10.057 -12.501 1.00 5.21 C ATOM 804 O GLN A 53 12.622 -10.722 -12.205 1.00 73.14 O ATOM 805 CB GLN A 53 13.812 -10.729 -14.902 1.00 52.33 C ATOM 806 CG GLN A 53 14.690 -11.210 -16.046 1.00 50.21 C ATOM 807 CD GLN A 53 13.931 -12.057 -17.048 1.00 52.23 C ATOM 808 OE1 GLN A 53 14.391 -13.126 -17.449 1.00 74.50 O ATOM 809 NE2 GLN A 53 12.761 -11.582 -17.459 1.00 53.11 N ATOM 0 H GLN A 53 14.616 -12.516 -12.935 1.00 3.35 H new ATOM 0 HA GLN A 53 15.331 -9.755 -13.735 1.00 23.21 H new ATOM 0 HB2 GLN A 53 13.013 -11.452 -14.740 1.00 52.33 H new ATOM 0 HB3 GLN A 53 13.339 -9.790 -15.188 1.00 52.33 H new ATOM 0 HG2 GLN A 53 15.120 -10.348 -16.556 1.00 50.21 H new ATOM 0 HG3 GLN A 53 15.521 -11.789 -15.643 1.00 50.21 H new ATOM 0 HE21 GLN A 53 12.418 -10.691 -17.100 1.00 53.11 H new ATOM 0 HE22 GLN A 53 12.205 -12.108 -18.133 1.00 53.11 H new ATOM 818 N GLY A 54 13.917 -8.907 -11.906 1.00 32.15 N ATOM 819 CA GLY A 54 13.072 -8.371 -10.854 1.00 43.33 C ATOM 820 C GLY A 54 13.504 -6.986 -10.413 1.00 65.32 C ATOM 821 O GLY A 54 14.446 -6.405 -10.953 1.00 24.42 O ATOM 0 H GLY A 54 14.732 -8.338 -12.133 1.00 32.15 H new ATOM 0 HA2 GLY A 54 12.041 -8.332 -11.205 1.00 43.33 H new ATOM 0 HA3 GLY A 54 13.092 -9.045 -9.997 1.00 43.33 H new ATOM 825 N PRO A 55 12.805 -6.435 -9.410 1.00 60.41 N ATOM 826 CA PRO A 55 13.103 -5.103 -8.875 1.00 71.44 C ATOM 827 C PRO A 55 14.420 -5.068 -8.107 1.00 74.32 C ATOM 828 O PRO A 55 14.811 -6.055 -7.483 1.00 42.10 O ATOM 829 CB PRO A 55 11.927 -4.828 -7.935 1.00 4.24 C ATOM 830 CG PRO A 55 11.439 -6.177 -7.533 1.00 40.22 C ATOM 831 CD PRO A 55 11.670 -7.071 -8.720 1.00 52.20 C ATOM 0 HA PRO A 55 13.217 -4.362 -9.666 1.00 71.44 H new ATOM 0 HB2 PRO A 55 12.241 -4.246 -7.068 1.00 4.24 H new ATOM 0 HB3 PRO A 55 11.145 -4.257 -8.436 1.00 4.24 H new ATOM 0 HG2 PRO A 55 11.978 -6.542 -6.659 1.00 40.22 H new ATOM 0 HG3 PRO A 55 10.382 -6.147 -7.267 1.00 40.22 H new ATOM 0 HD2 PRO A 55 11.905 -8.091 -8.415 1.00 52.20 H new ATOM 0 HD3 PRO A 55 10.789 -7.125 -9.360 1.00 52.20 H new ATOM 839 N ILE A 56 15.098 -3.927 -8.157 1.00 11.23 N ATOM 840 CA ILE A 56 16.370 -3.764 -7.464 1.00 12.23 C ATOM 841 C ILE A 56 16.230 -4.076 -5.978 1.00 10.34 C ATOM 842 O ILE A 56 17.196 -4.463 -5.321 1.00 2.05 O ATOM 843 CB ILE A 56 16.921 -2.335 -7.627 1.00 60.13 C ATOM 844 CG1 ILE A 56 18.342 -2.246 -7.066 1.00 15.33 C ATOM 845 CG2 ILE A 56 16.008 -1.333 -6.936 1.00 44.14 C ATOM 846 CD1 ILE A 56 19.075 -0.988 -7.476 1.00 2.04 C ATOM 0 H ILE A 56 14.788 -3.102 -8.670 1.00 11.23 H new ATOM 0 HA ILE A 56 17.068 -4.468 -7.917 1.00 12.23 H new ATOM 0 HB ILE A 56 16.955 -2.093 -8.689 1.00 60.13 H new ATOM 0 HG12 ILE A 56 18.298 -2.293 -5.978 1.00 15.33 H new ATOM 0 HG13 ILE A 56 18.911 -3.114 -7.400 1.00 15.33 H new ATOM 0 HG21 ILE A 56 16.411 -0.328 -7.060 1.00 44.14 H new ATOM 0 HG22 ILE A 56 15.013 -1.382 -7.378 1.00 44.14 H new ATOM 0 HG23 ILE A 56 15.945 -1.570 -5.874 1.00 44.14 H new ATOM 0 HD11 ILE A 56 20.075 -0.992 -7.043 1.00 2.04 H new ATOM 0 HD12 ILE A 56 19.151 -0.949 -8.563 1.00 2.04 H new ATOM 0 HD13 ILE A 56 18.528 -0.115 -7.119 1.00 2.04 H new ATOM 858 N SER A 57 15.020 -3.906 -5.454 1.00 41.31 N ATOM 859 CA SER A 57 14.753 -4.167 -4.045 1.00 25.15 C ATOM 860 C SER A 57 14.866 -5.657 -3.738 1.00 35.43 C ATOM 861 O SER A 57 15.165 -6.051 -2.610 1.00 43.22 O ATOM 862 CB SER A 57 13.361 -3.660 -3.664 1.00 41.14 C ATOM 863 OG SER A 57 13.338 -2.245 -3.584 1.00 21.33 O ATOM 0 H SER A 57 14.209 -3.588 -5.985 1.00 41.31 H new ATOM 0 HA SER A 57 15.499 -3.634 -3.455 1.00 25.15 H new ATOM 0 HB2 SER A 57 12.633 -3.998 -4.402 1.00 41.14 H new ATOM 0 HB3 SER A 57 13.065 -4.086 -2.706 1.00 41.14 H new ATOM 0 HG SER A 57 12.437 -1.946 -3.341 1.00 21.33 H new ATOM 869 N LYS A 58 14.622 -6.483 -4.750 1.00 22.21 N ATOM 870 CA LYS A 58 14.696 -7.931 -4.592 1.00 2.23 C ATOM 871 C LYS A 58 16.008 -8.473 -5.151 1.00 54.12 C ATOM 872 O LYS A 58 16.572 -9.430 -4.621 1.00 74.33 O ATOM 873 CB LYS A 58 13.514 -8.602 -5.293 1.00 74.35 C ATOM 874 CG LYS A 58 12.281 -8.734 -4.416 1.00 54.44 C ATOM 875 CD LYS A 58 11.833 -7.385 -3.879 1.00 14.14 C ATOM 876 CE LYS A 58 10.392 -7.429 -3.393 1.00 31.23 C ATOM 877 NZ LYS A 58 9.427 -7.496 -4.525 1.00 34.33 N ATOM 0 H LYS A 58 14.371 -6.174 -5.689 1.00 22.21 H new ATOM 0 HA LYS A 58 14.655 -8.158 -3.527 1.00 2.23 H new ATOM 0 HB2 LYS A 58 13.257 -8.028 -6.183 1.00 74.35 H new ATOM 0 HB3 LYS A 58 13.817 -9.593 -5.630 1.00 74.35 H new ATOM 0 HG2 LYS A 58 11.472 -9.185 -4.990 1.00 54.44 H new ATOM 0 HG3 LYS A 58 12.495 -9.405 -3.584 1.00 54.44 H new ATOM 0 HD2 LYS A 58 12.485 -7.084 -3.059 1.00 14.14 H new ATOM 0 HD3 LYS A 58 11.932 -6.630 -4.659 1.00 14.14 H new ATOM 0 HE2 LYS A 58 10.253 -8.295 -2.746 1.00 31.23 H new ATOM 0 HE3 LYS A 58 10.185 -6.544 -2.791 1.00 31.23 H new ATOM 0 HZ1 LYS A 58 8.472 -7.270 -4.181 1.00 34.33 H new ATOM 0 HZ2 LYS A 58 9.702 -6.810 -5.257 1.00 34.33 H new ATOM 0 HZ3 LYS A 58 9.432 -8.454 -4.929 1.00 34.33 H new ATOM 891 N VAL A 59 16.489 -7.854 -6.225 1.00 13.24 N ATOM 892 CA VAL A 59 17.735 -8.273 -6.854 1.00 42.33 C ATOM 893 C VAL A 59 18.903 -8.178 -5.879 1.00 12.53 C ATOM 894 O VAL A 59 19.813 -9.006 -5.902 1.00 3.14 O ATOM 895 CB VAL A 59 18.049 -7.421 -8.099 1.00 24.04 C ATOM 896 CG1 VAL A 59 19.367 -7.854 -8.724 1.00 31.15 C ATOM 897 CG2 VAL A 59 16.915 -7.514 -9.108 1.00 20.22 C ATOM 0 H VAL A 59 16.034 -7.061 -6.677 1.00 13.24 H new ATOM 0 HA VAL A 59 17.603 -9.312 -7.157 1.00 42.33 H new ATOM 0 HB VAL A 59 18.145 -6.380 -7.791 1.00 24.04 H new ATOM 0 HG11 VAL A 59 19.572 -7.241 -9.602 1.00 31.15 H new ATOM 0 HG12 VAL A 59 20.171 -7.730 -7.999 1.00 31.15 H new ATOM 0 HG13 VAL A 59 19.303 -8.901 -9.020 1.00 31.15 H new ATOM 0 HG21 VAL A 59 17.154 -6.906 -9.981 1.00 20.22 H new ATOM 0 HG22 VAL A 59 16.784 -8.552 -9.414 1.00 20.22 H new ATOM 0 HG23 VAL A 59 15.993 -7.150 -8.654 1.00 20.22 H new ATOM 907 N ARG A 60 18.870 -7.162 -5.022 1.00 35.11 N ATOM 908 CA ARG A 60 19.926 -6.958 -4.038 1.00 13.12 C ATOM 909 C ARG A 60 19.880 -8.036 -2.959 1.00 71.43 C ATOM 910 O ARG A 60 20.895 -8.352 -2.338 1.00 44.33 O ATOM 911 CB ARG A 60 19.795 -5.575 -3.397 1.00 55.01 C ATOM 912 CG ARG A 60 21.074 -5.085 -2.739 1.00 40.43 C ATOM 913 CD ARG A 60 21.990 -4.402 -3.743 1.00 23.30 C ATOM 914 NE ARG A 60 22.828 -3.384 -3.115 1.00 52.22 N ATOM 915 CZ ARG A 60 22.360 -2.228 -2.656 1.00 61.32 C ATOM 916 NH1 ARG A 60 21.068 -1.947 -2.754 1.00 2.51 N ATOM 917 NH2 ARG A 60 23.185 -1.352 -2.097 1.00 62.24 N ATOM 0 H ARG A 60 18.123 -6.468 -4.990 1.00 35.11 H new ATOM 0 HA ARG A 60 20.885 -7.024 -4.553 1.00 13.12 H new ATOM 0 HB2 ARG A 60 19.491 -4.858 -4.159 1.00 55.01 H new ATOM 0 HB3 ARG A 60 19.001 -5.603 -2.651 1.00 55.01 H new ATOM 0 HG2 ARG A 60 20.828 -4.389 -1.937 1.00 40.43 H new ATOM 0 HG3 ARG A 60 21.595 -5.926 -2.283 1.00 40.43 H new ATOM 0 HD2 ARG A 60 22.624 -5.148 -4.222 1.00 23.30 H new ATOM 0 HD3 ARG A 60 21.389 -3.943 -4.528 1.00 23.30 H new ATOM 0 HE ARG A 60 23.827 -3.570 -3.024 1.00 52.22 H new ATOM 0 HH11 ARG A 60 20.431 -2.619 -3.182 1.00 2.51 H new ATOM 0 HH12 ARG A 60 20.711 -1.059 -2.401 1.00 2.51 H new ATOM 0 HH21 ARG A 60 24.179 -1.566 -2.019 1.00 62.24 H new ATOM 0 HH22 ARG A 60 22.825 -0.465 -1.745 1.00 62.24 H new ATOM 931 N HIS A 61 18.695 -8.598 -2.741 1.00 61.35 N ATOM 932 CA HIS A 61 18.517 -9.642 -1.738 1.00 13.30 C ATOM 933 C HIS A 61 18.852 -11.014 -2.315 1.00 54.33 C ATOM 934 O HIS A 61 19.696 -11.733 -1.782 1.00 11.33 O ATOM 935 CB HIS A 61 17.081 -9.633 -1.213 1.00 31.25 C ATOM 936 CG HIS A 61 16.937 -10.242 0.148 1.00 24.42 C ATOM 937 ND1 HIS A 61 17.911 -10.151 1.120 1.00 64.50 N ATOM 938 CD2 HIS A 61 15.925 -10.953 0.698 1.00 52.12 C ATOM 939 CE1 HIS A 61 17.505 -10.781 2.208 1.00 70.11 C ATOM 940 NE2 HIS A 61 16.302 -11.276 1.978 1.00 1.00 N ATOM 0 H HIS A 61 17.844 -8.348 -3.245 1.00 61.35 H new ATOM 0 HA HIS A 61 19.200 -9.439 -0.913 1.00 13.30 H new ATOM 0 HB2 HIS A 61 16.721 -8.605 -1.182 1.00 31.25 H new ATOM 0 HB3 HIS A 61 16.444 -10.173 -1.913 1.00 31.25 H new ATOM 0 HD2 HIS A 61 14.994 -11.217 0.219 1.00 52.12 H new ATOM 0 HE1 HIS A 61 18.062 -10.875 3.129 1.00 70.11 H new ATOM 0 HE2 HIS A 61 15.744 -11.811 2.643 1.00 1.00 H new ATOM 948 N MET A 62 18.184 -11.370 -3.408 1.00 14.24 N ATOM 949 CA MET A 62 18.411 -12.656 -4.057 1.00 3.41 C ATOM 950 C MET A 62 19.890 -12.847 -4.381 1.00 13.05 C ATOM 951 O MET A 62 20.458 -13.907 -4.121 1.00 61.22 O ATOM 952 CB MET A 62 17.580 -12.759 -5.337 1.00 34.22 C ATOM 953 CG MET A 62 17.168 -14.181 -5.680 1.00 72.45 C ATOM 954 SD MET A 62 15.979 -14.863 -4.508 1.00 40.24 S ATOM 955 CE MET A 62 14.911 -15.789 -5.609 1.00 5.03 C ATOM 0 H MET A 62 17.482 -10.786 -3.862 1.00 14.24 H new ATOM 0 HA MET A 62 18.103 -13.442 -3.368 1.00 3.41 H new ATOM 0 HB2 MET A 62 16.685 -12.146 -5.230 1.00 34.22 H new ATOM 0 HB3 MET A 62 18.153 -12.345 -6.167 1.00 34.22 H new ATOM 0 HG2 MET A 62 16.736 -14.198 -6.681 1.00 72.45 H new ATOM 0 HG3 MET A 62 18.054 -14.816 -5.704 1.00 72.45 H new ATOM 0 HE1 MET A 62 13.966 -16.000 -5.108 1.00 5.03 H new ATOM 0 HE2 MET A 62 14.721 -15.204 -6.509 1.00 5.03 H new ATOM 0 HE3 MET A 62 15.395 -16.727 -5.881 1.00 5.03 H new ATOM 965 N GLN A 63 20.505 -11.815 -4.948 1.00 41.30 N ATOM 966 CA GLN A 63 21.917 -11.871 -5.307 1.00 61.24 C ATOM 967 C GLN A 63 22.770 -12.256 -4.103 1.00 44.22 C ATOM 968 O GLN A 63 23.800 -12.914 -4.246 1.00 20.22 O ATOM 969 CB GLN A 63 22.378 -10.523 -5.864 1.00 52.11 C ATOM 970 CG GLN A 63 22.511 -9.441 -4.805 1.00 3.13 C ATOM 971 CD GLN A 63 23.000 -8.124 -5.374 1.00 41.33 C ATOM 972 OE1 GLN A 63 22.629 -7.738 -6.483 1.00 42.13 O ATOM 973 NE2 GLN A 63 23.837 -7.425 -4.616 1.00 63.15 N ATOM 0 H GLN A 63 20.048 -10.930 -5.169 1.00 41.30 H new ATOM 0 HA GLN A 63 22.040 -12.634 -6.075 1.00 61.24 H new ATOM 0 HB2 GLN A 63 23.339 -10.654 -6.360 1.00 52.11 H new ATOM 0 HB3 GLN A 63 21.670 -10.192 -6.623 1.00 52.11 H new ATOM 0 HG2 GLN A 63 21.545 -9.288 -4.324 1.00 3.13 H new ATOM 0 HG3 GLN A 63 23.202 -9.777 -4.032 1.00 3.13 H new ATOM 0 HE21 GLN A 63 24.118 -7.783 -3.703 1.00 63.15 H new ATOM 0 HE22 GLN A 63 24.199 -6.530 -4.947 1.00 63.15 H new ATOM 982 N GLU A 64 22.335 -11.840 -2.918 1.00 53.32 N ATOM 983 CA GLU A 64 23.060 -12.140 -1.690 1.00 23.34 C ATOM 984 C GLU A 64 22.463 -13.357 -0.989 1.00 12.14 C ATOM 985 O GLU A 64 22.560 -13.493 0.231 1.00 72.41 O ATOM 986 CB GLU A 64 23.037 -10.934 -0.749 1.00 41.41 C ATOM 987 CG GLU A 64 24.044 -9.857 -1.116 1.00 4.33 C ATOM 988 CD GLU A 64 25.451 -10.194 -0.661 1.00 31.24 C ATOM 989 OE1 GLU A 64 25.635 -10.464 0.545 1.00 60.11 O ATOM 990 OE2 GLU A 64 26.367 -10.188 -1.509 1.00 21.31 O ATOM 0 H GLU A 64 21.484 -11.294 -2.783 1.00 53.32 H new ATOM 0 HA GLU A 64 24.093 -12.365 -1.955 1.00 23.34 H new ATOM 0 HB2 GLU A 64 22.037 -10.501 -0.752 1.00 41.41 H new ATOM 0 HB3 GLU A 64 23.235 -11.273 0.268 1.00 41.41 H new ATOM 0 HG2 GLU A 64 24.040 -9.714 -2.197 1.00 4.33 H new ATOM 0 HG3 GLU A 64 23.738 -8.911 -0.668 1.00 4.33 H new ATOM 997 N TRP A 65 21.845 -14.237 -1.768 1.00 51.21 N ATOM 998 CA TRP A 65 21.231 -15.442 -1.223 1.00 33.04 C ATOM 999 C TRP A 65 21.722 -16.684 -1.958 1.00 21.01 C ATOM 1000 O TRP A 65 21.950 -17.730 -1.348 1.00 14.43 O ATOM 1001 CB TRP A 65 19.707 -15.349 -1.315 1.00 32.11 C ATOM 1002 CG TRP A 65 19.000 -16.479 -0.628 1.00 42.44 C ATOM 1003 CD1 TRP A 65 18.956 -17.783 -1.031 1.00 15.10 C ATOM 1004 CD2 TRP A 65 18.236 -16.403 0.580 1.00 72.21 C ATOM 1005 NE1 TRP A 65 18.209 -18.523 -0.146 1.00 3.23 N ATOM 1006 CE2 TRP A 65 17.757 -17.700 0.852 1.00 44.03 C ATOM 1007 CE3 TRP A 65 17.911 -15.367 1.460 1.00 73.34 C ATOM 1008 CZ2 TRP A 65 16.971 -17.985 1.965 1.00 3.30 C ATOM 1009 CZ3 TRP A 65 17.130 -15.652 2.564 1.00 41.51 C ATOM 1010 CH2 TRP A 65 16.668 -16.951 2.809 1.00 21.44 C ATOM 0 H TRP A 65 21.756 -14.139 -2.779 1.00 51.21 H new ATOM 0 HA TRP A 65 21.520 -15.525 -0.175 1.00 33.04 H new ATOM 0 HB2 TRP A 65 19.381 -14.406 -0.877 1.00 32.11 H new ATOM 0 HB3 TRP A 65 19.414 -15.331 -2.365 1.00 32.11 H new ATOM 0 HD1 TRP A 65 19.437 -18.175 -1.915 1.00 15.10 H new ATOM 0 HE1 TRP A 65 18.021 -19.523 -0.220 1.00 3.23 H new ATOM 0 HE3 TRP A 65 18.264 -14.362 1.281 1.00 73.34 H new ATOM 0 HZ2 TRP A 65 16.613 -18.986 2.156 1.00 3.30 H new ATOM 0 HZ3 TRP A 65 16.871 -14.859 3.250 1.00 41.51 H new ATOM 0 HH2 TRP A 65 16.060 -17.141 3.681 1.00 21.44 H new ATOM 1021 N LEU A 66 21.884 -16.563 -3.271 1.00 23.51 N ATOM 1022 CA LEU A 66 22.350 -17.677 -4.090 1.00 34.52 C ATOM 1023 C LEU A 66 23.822 -17.972 -3.823 1.00 3.50 C ATOM 1024 O LEU A 66 24.222 -19.129 -3.708 1.00 24.42 O ATOM 1025 CB LEU A 66 22.140 -17.368 -5.573 1.00 61.11 C ATOM 1026 CG LEU A 66 20.712 -17.525 -6.096 1.00 52.32 C ATOM 1027 CD1 LEU A 66 20.639 -17.152 -7.569 1.00 12.22 C ATOM 1028 CD2 LEU A 66 20.217 -18.947 -5.879 1.00 64.53 C ATOM 0 H LEU A 66 21.700 -15.705 -3.791 1.00 23.51 H new ATOM 0 HA LEU A 66 21.769 -18.560 -3.823 1.00 34.52 H new ATOM 0 HB2 LEU A 66 22.463 -16.344 -5.759 1.00 61.11 H new ATOM 0 HB3 LEU A 66 22.792 -18.019 -6.155 1.00 61.11 H new ATOM 0 HG LEU A 66 20.065 -16.848 -5.538 1.00 52.32 H new ATOM 0 HD11 LEU A 66 19.615 -17.270 -7.924 1.00 12.22 H new ATOM 0 HD12 LEU A 66 20.951 -16.115 -7.698 1.00 12.22 H new ATOM 0 HD13 LEU A 66 21.299 -17.803 -8.142 1.00 12.22 H new ATOM 0 HD21 LEU A 66 19.199 -19.040 -6.257 1.00 64.53 H new ATOM 0 HD22 LEU A 66 20.866 -19.643 -6.410 1.00 64.53 H new ATOM 0 HD23 LEU A 66 20.231 -19.178 -4.814 1.00 64.53 H new ATOM 1040 N GLU A 67 24.623 -16.915 -3.724 1.00 41.10 N ATOM 1041 CA GLU A 67 26.051 -17.061 -3.469 1.00 43.01 C ATOM 1042 C GLU A 67 26.303 -17.535 -2.041 1.00 4.23 C ATOM 1043 O GLU A 67 27.263 -18.259 -1.774 1.00 44.21 O ATOM 1044 CB GLU A 67 26.774 -15.734 -3.713 1.00 72.40 C ATOM 1045 CG GLU A 67 26.192 -14.571 -2.928 1.00 32.03 C ATOM 1046 CD GLU A 67 27.211 -13.914 -2.018 1.00 11.45 C ATOM 1047 OE1 GLU A 67 28.045 -14.641 -1.439 1.00 21.22 O ATOM 1048 OE2 GLU A 67 27.175 -12.673 -1.884 1.00 15.25 O ATOM 0 H GLU A 67 24.307 -15.950 -3.816 1.00 41.10 H new ATOM 0 HA GLU A 67 26.442 -17.811 -4.157 1.00 43.01 H new ATOM 0 HB2 GLU A 67 27.825 -15.849 -3.450 1.00 72.40 H new ATOM 0 HB3 GLU A 67 26.735 -15.499 -4.777 1.00 72.40 H new ATOM 0 HG2 GLU A 67 25.799 -13.829 -3.623 1.00 32.03 H new ATOM 0 HG3 GLU A 67 25.352 -14.925 -2.331 1.00 32.03 H new ATOM 1055 N THR A 68 25.434 -17.121 -1.124 1.00 3.42 N ATOM 1056 CA THR A 68 25.562 -17.500 0.277 1.00 24.14 C ATOM 1057 C THR A 68 25.002 -18.896 0.522 1.00 32.43 C ATOM 1058 O THR A 68 25.736 -19.816 0.884 1.00 43.21 O ATOM 1059 CB THR A 68 24.839 -16.500 1.199 1.00 40.12 C ATOM 1060 OG1 THR A 68 23.486 -16.323 0.764 1.00 62.12 O ATOM 1061 CG2 THR A 68 25.554 -15.157 1.207 1.00 31.21 C ATOM 0 H THR A 68 24.633 -16.523 -1.327 1.00 3.42 H new ATOM 0 HA THR A 68 26.627 -17.492 0.510 1.00 24.14 H new ATOM 0 HB THR A 68 24.845 -16.903 2.212 1.00 40.12 H new ATOM 0 HG1 THR A 68 23.274 -15.367 0.735 1.00 62.12 H new ATOM 0 HG21 THR A 68 25.025 -14.467 1.865 1.00 31.21 H new ATOM 0 HG22 THR A 68 26.575 -15.290 1.566 1.00 31.21 H new ATOM 0 HG23 THR A 68 25.575 -14.750 0.196 1.00 31.21 H new ATOM 1069 N ARG A 69 23.697 -19.048 0.323 1.00 73.45 N ATOM 1070 CA ARG A 69 23.038 -20.333 0.522 1.00 32.44 C ATOM 1071 C ARG A 69 23.230 -21.238 -0.691 1.00 44.24 C ATOM 1072 O ARG A 69 23.870 -20.853 -1.669 1.00 61.54 O ATOM 1073 CB ARG A 69 21.545 -20.129 0.788 1.00 21.40 C ATOM 1074 CG ARG A 69 21.246 -19.521 2.149 1.00 61.53 C ATOM 1075 CD ARG A 69 21.479 -18.019 2.151 1.00 41.22 C ATOM 1076 NE ARG A 69 20.774 -17.357 3.245 1.00 20.13 N ATOM 1077 CZ ARG A 69 21.192 -17.375 4.506 1.00 1.00 C ATOM 1078 NH1 ARG A 69 22.306 -18.017 4.830 1.00 70.25 N ATOM 1079 NH2 ARG A 69 20.496 -16.749 5.446 1.00 34.02 N ATOM 0 H ARG A 69 23.075 -18.297 0.024 1.00 73.45 H new ATOM 0 HA ARG A 69 23.492 -20.815 1.388 1.00 32.44 H new ATOM 0 HB2 ARG A 69 21.131 -19.484 0.013 1.00 21.40 H new ATOM 0 HB3 ARG A 69 21.036 -21.090 0.709 1.00 21.40 H new ATOM 0 HG2 ARG A 69 20.212 -19.730 2.423 1.00 61.53 H new ATOM 0 HG3 ARG A 69 21.877 -19.989 2.904 1.00 61.53 H new ATOM 0 HD2 ARG A 69 22.547 -17.818 2.234 1.00 41.22 H new ATOM 0 HD3 ARG A 69 21.149 -17.600 1.201 1.00 41.22 H new ATOM 0 HE ARG A 69 19.914 -16.853 3.029 1.00 20.13 H new ATOM 0 HH11 ARG A 69 22.845 -18.499 4.110 1.00 70.25 H new ATOM 0 HH12 ARG A 69 22.624 -18.029 5.799 1.00 70.25 H new ATOM 0 HH21 ARG A 69 19.639 -16.253 5.201 1.00 34.02 H new ATOM 0 HH22 ARG A 69 20.818 -16.764 6.414 1.00 34.02 H new ATOM 1093 N GLY A 70 22.672 -22.443 -0.620 1.00 42.41 N ATOM 1094 CA GLY A 70 22.794 -23.383 -1.719 1.00 4.14 C ATOM 1095 C GLY A 70 22.929 -24.816 -1.243 1.00 1.21 C ATOM 1096 O GLY A 70 23.287 -25.064 -0.092 1.00 12.25 O ATOM 0 H GLY A 70 22.138 -22.785 0.179 1.00 42.41 H new ATOM 0 HA2 GLY A 70 21.920 -23.298 -2.364 1.00 4.14 H new ATOM 0 HA3 GLY A 70 23.663 -23.121 -2.323 1.00 4.14 H new ATOM 1100 N SER A 71 22.640 -25.762 -2.131 1.00 25.13 N ATOM 1101 CA SER A 71 22.726 -27.178 -1.794 1.00 31.24 C ATOM 1102 C SER A 71 24.134 -27.543 -1.333 1.00 10.00 C ATOM 1103 O SER A 71 25.105 -26.834 -1.598 1.00 13.51 O ATOM 1104 CB SER A 71 22.333 -28.036 -2.998 1.00 40.42 C ATOM 1105 OG SER A 71 20.948 -28.334 -2.981 1.00 71.54 O ATOM 0 H SER A 71 22.344 -25.573 -3.089 1.00 25.13 H new ATOM 0 HA SER A 71 22.033 -27.373 -0.976 1.00 31.24 H new ATOM 0 HB2 SER A 71 22.584 -27.511 -3.920 1.00 40.42 H new ATOM 0 HB3 SER A 71 22.908 -28.962 -2.992 1.00 40.42 H new ATOM 0 HG SER A 71 20.784 -29.154 -3.492 1.00 71.54 H new ATOM 1111 N PRO A 72 24.249 -28.677 -0.626 1.00 1.00 N ATOM 1112 CA PRO A 72 25.533 -29.163 -0.113 1.00 65.33 C ATOM 1113 C PRO A 72 26.456 -29.648 -1.227 1.00 32.24 C ATOM 1114 O PRO A 72 27.679 -29.550 -1.121 1.00 74.30 O ATOM 1115 CB PRO A 72 25.134 -30.328 0.796 1.00 63.21 C ATOM 1116 CG PRO A 72 23.826 -30.797 0.259 1.00 10.42 C ATOM 1117 CD PRO A 72 23.134 -29.572 -0.273 1.00 63.10 C ATOM 0 HA PRO A 72 26.091 -28.378 0.397 1.00 65.33 H new ATOM 0 HB2 PRO A 72 25.880 -31.123 0.772 1.00 63.21 H new ATOM 0 HB3 PRO A 72 25.044 -30.007 1.834 1.00 63.21 H new ATOM 0 HG2 PRO A 72 23.970 -31.537 -0.528 1.00 10.42 H new ATOM 0 HG3 PRO A 72 23.232 -31.273 1.039 1.00 10.42 H new ATOM 0 HD2 PRO A 72 22.515 -29.804 -1.140 1.00 63.10 H new ATOM 0 HD3 PRO A 72 22.480 -29.123 0.475 1.00 63.10 H new ATOM 1125 N LYS A 73 25.863 -30.172 -2.294 1.00 54.51 N ATOM 1126 CA LYS A 73 26.630 -30.671 -3.429 1.00 2.31 C ATOM 1127 C LYS A 73 26.736 -29.612 -4.522 1.00 4.12 C ATOM 1128 O LYS A 73 26.803 -29.935 -5.708 1.00 33.02 O ATOM 1129 CB LYS A 73 25.982 -31.937 -3.992 1.00 74.12 C ATOM 1130 CG LYS A 73 26.183 -33.164 -3.119 1.00 52.50 C ATOM 1131 CD LYS A 73 25.657 -34.420 -3.792 1.00 54.14 C ATOM 1132 CE LYS A 73 24.154 -34.345 -4.015 1.00 71.24 C ATOM 1133 NZ LYS A 73 23.411 -34.173 -2.736 1.00 42.01 N ATOM 0 H LYS A 73 24.852 -30.262 -2.397 1.00 54.51 H new ATOM 0 HA LYS A 73 27.635 -30.909 -3.080 1.00 2.31 H new ATOM 0 HB2 LYS A 73 24.913 -31.763 -4.118 1.00 74.12 H new ATOM 0 HB3 LYS A 73 26.392 -32.135 -4.982 1.00 74.12 H new ATOM 0 HG2 LYS A 73 27.244 -33.285 -2.899 1.00 52.50 H new ATOM 0 HG3 LYS A 73 25.674 -33.021 -2.166 1.00 52.50 H new ATOM 0 HD2 LYS A 73 26.161 -34.560 -4.748 1.00 54.14 H new ATOM 0 HD3 LYS A 73 25.892 -35.289 -3.177 1.00 54.14 H new ATOM 0 HE2 LYS A 73 23.927 -33.513 -4.682 1.00 71.24 H new ATOM 0 HE3 LYS A 73 23.815 -35.254 -4.513 1.00 71.24 H new ATOM 0 HZ1 LYS A 73 22.396 -34.329 -2.900 1.00 42.01 H new ATOM 0 HZ2 LYS A 73 23.758 -34.861 -2.038 1.00 42.01 H new ATOM 0 HZ3 LYS A 73 23.559 -33.209 -2.375 1.00 42.01 H new ATOM 1147 N SER A 74 26.754 -28.347 -4.114 1.00 55.14 N ATOM 1148 CA SER A 74 26.850 -27.241 -5.060 1.00 14.45 C ATOM 1149 C SER A 74 27.822 -26.178 -4.555 1.00 75.23 C ATOM 1150 O SER A 74 27.442 -25.028 -4.335 1.00 1.51 O ATOM 1151 CB SER A 74 25.471 -26.618 -5.291 1.00 22.42 C ATOM 1152 OG SER A 74 24.518 -27.607 -5.641 1.00 51.32 O ATOM 0 H SER A 74 26.703 -28.063 -3.136 1.00 55.14 H new ATOM 0 HA SER A 74 27.226 -27.634 -6.004 1.00 14.45 H new ATOM 0 HB2 SER A 74 25.147 -26.099 -4.389 1.00 22.42 H new ATOM 0 HB3 SER A 74 25.533 -25.872 -6.083 1.00 22.42 H new ATOM 0 HG SER A 74 23.645 -27.185 -5.782 1.00 51.32 H new ATOM 1158 N HIS A 75 29.078 -26.573 -4.375 1.00 0.44 N ATOM 1159 CA HIS A 75 30.106 -25.655 -3.897 1.00 2.11 C ATOM 1160 C HIS A 75 30.235 -24.452 -4.826 1.00 42.04 C ATOM 1161 O HIS A 75 30.424 -24.606 -6.033 1.00 42.24 O ATOM 1162 CB HIS A 75 31.450 -26.375 -3.786 1.00 5.22 C ATOM 1163 CG HIS A 75 32.358 -25.792 -2.747 1.00 42.41 C ATOM 1164 ND1 HIS A 75 33.390 -24.927 -3.048 1.00 74.35 N ATOM 1165 CD2 HIS A 75 32.384 -25.952 -1.403 1.00 40.42 C ATOM 1166 CE1 HIS A 75 34.012 -24.582 -1.935 1.00 74.42 C ATOM 1167 NE2 HIS A 75 33.421 -25.190 -0.922 1.00 75.03 N ATOM 0 H HIS A 75 29.409 -27.521 -4.553 1.00 0.44 H new ATOM 0 HA HIS A 75 29.810 -25.299 -2.910 1.00 2.11 H new ATOM 0 HB2 HIS A 75 31.272 -27.425 -3.553 1.00 5.22 H new ATOM 0 HB3 HIS A 75 31.951 -26.343 -4.754 1.00 5.22 H new ATOM 0 HD2 HIS A 75 31.714 -26.565 -0.818 1.00 40.42 H new ATOM 0 HE1 HIS A 75 34.859 -23.916 -1.865 1.00 74.42 H new ATOM 0 HE2 HIS A 75 33.691 -25.107 0.058 1.00 75.03 H new ATOM 1175 N ILE A 76 30.131 -23.256 -4.257 1.00 21.25 N ATOM 1176 CA ILE A 76 30.236 -22.028 -5.034 1.00 65.04 C ATOM 1177 C ILE A 76 31.652 -21.464 -4.982 1.00 1.34 C ATOM 1178 O ILE A 76 31.898 -20.435 -4.352 1.00 41.42 O ATOM 1179 CB ILE A 76 29.250 -20.957 -4.532 1.00 60.22 C ATOM 1180 CG1 ILE A 76 27.838 -21.539 -4.436 1.00 10.53 C ATOM 1181 CG2 ILE A 76 29.268 -19.747 -5.453 1.00 44.54 C ATOM 1182 CD1 ILE A 76 26.811 -20.550 -3.928 1.00 61.54 C ATOM 0 H ILE A 76 29.974 -23.112 -3.260 1.00 21.25 H new ATOM 0 HA ILE A 76 29.987 -22.284 -6.064 1.00 65.04 H new ATOM 0 HB ILE A 76 29.560 -20.636 -3.537 1.00 60.22 H new ATOM 0 HG12 ILE A 76 27.533 -21.895 -5.420 1.00 10.53 H new ATOM 0 HG13 ILE A 76 27.855 -22.405 -3.775 1.00 10.53 H new ATOM 0 HG21 ILE A 76 28.566 -18.999 -5.085 1.00 44.54 H new ATOM 0 HG22 ILE A 76 30.272 -19.322 -5.476 1.00 44.54 H new ATOM 0 HG23 ILE A 76 28.979 -20.051 -6.459 1.00 44.54 H new ATOM 0 HD11 ILE A 76 25.833 -21.030 -3.886 1.00 61.54 H new ATOM 0 HD12 ILE A 76 27.093 -20.212 -2.931 1.00 61.54 H new ATOM 0 HD13 ILE A 76 26.766 -19.694 -4.601 1.00 61.54 H new ATOM 1194 N ASP A 77 32.579 -22.143 -5.648 1.00 70.00 N ATOM 1195 CA ASP A 77 33.971 -21.708 -5.680 1.00 34.20 C ATOM 1196 C ASP A 77 34.087 -20.302 -6.261 1.00 25.51 C ATOM 1197 O ASP A 77 34.984 -19.541 -5.897 1.00 15.25 O ATOM 1198 CB ASP A 77 34.814 -22.685 -6.502 1.00 14.33 C ATOM 1199 CG ASP A 77 36.264 -22.710 -6.062 1.00 1.54 C ATOM 1200 OD1 ASP A 77 36.518 -22.573 -4.847 1.00 35.13 O ATOM 1201 OD2 ASP A 77 37.146 -22.865 -6.932 1.00 41.44 O ATOM 0 H ASP A 77 32.392 -22.997 -6.173 1.00 70.00 H new ATOM 0 HA ASP A 77 34.345 -21.691 -4.656 1.00 34.20 H new ATOM 0 HB2 ASP A 77 34.393 -23.687 -6.414 1.00 14.33 H new ATOM 0 HB3 ASP A 77 34.762 -22.409 -7.555 1.00 14.33 H new ATOM 1206 N LYS A 78 33.177 -19.965 -7.167 1.00 54.14 N ATOM 1207 CA LYS A 78 33.176 -18.651 -7.800 1.00 21.03 C ATOM 1208 C LYS A 78 31.752 -18.188 -8.092 1.00 23.42 C ATOM 1209 O LYS A 78 30.922 -18.965 -8.562 1.00 53.15 O ATOM 1210 CB LYS A 78 33.988 -18.686 -9.096 1.00 44.13 C ATOM 1211 CG LYS A 78 34.670 -17.369 -9.422 1.00 45.43 C ATOM 1212 CD LYS A 78 33.762 -16.455 -10.228 1.00 43.10 C ATOM 1213 CE LYS A 78 33.896 -16.712 -11.721 1.00 73.12 C ATOM 1214 NZ LYS A 78 35.205 -16.241 -12.250 1.00 45.04 N ATOM 0 H LYS A 78 32.429 -20.584 -7.480 1.00 54.14 H new ATOM 0 HA LYS A 78 33.635 -17.943 -7.110 1.00 21.03 H new ATOM 0 HB2 LYS A 78 34.744 -19.468 -9.020 1.00 44.13 H new ATOM 0 HB3 LYS A 78 33.329 -18.958 -9.921 1.00 44.13 H new ATOM 0 HG2 LYS A 78 34.961 -16.871 -8.497 1.00 45.43 H new ATOM 0 HG3 LYS A 78 35.585 -17.561 -9.983 1.00 45.43 H new ATOM 0 HD2 LYS A 78 32.727 -16.608 -9.923 1.00 43.10 H new ATOM 0 HD3 LYS A 78 34.008 -15.415 -10.013 1.00 43.10 H new ATOM 0 HE2 LYS A 78 33.788 -17.779 -11.917 1.00 73.12 H new ATOM 0 HE3 LYS A 78 33.088 -16.207 -12.250 1.00 73.12 H new ATOM 0 HZ1 LYS A 78 35.138 -16.115 -13.280 1.00 45.04 H new ATOM 0 HZ2 LYS A 78 35.453 -15.334 -11.806 1.00 45.04 H new ATOM 0 HZ3 LYS A 78 35.940 -16.944 -12.034 1.00 45.04 H new ATOM 1228 N ALA A 79 31.478 -16.919 -7.811 1.00 1.31 N ATOM 1229 CA ALA A 79 30.156 -16.352 -8.047 1.00 30.30 C ATOM 1230 C ALA A 79 30.256 -14.922 -8.566 1.00 1.12 C ATOM 1231 O ALA A 79 30.751 -14.034 -7.873 1.00 44.14 O ATOM 1232 CB ALA A 79 29.328 -16.396 -6.772 1.00 35.45 C ATOM 0 H ALA A 79 32.154 -16.263 -7.419 1.00 1.31 H new ATOM 0 HA ALA A 79 29.661 -16.953 -8.810 1.00 30.30 H new ATOM 0 HB1 ALA A 79 28.343 -15.969 -6.963 1.00 35.45 H new ATOM 0 HB2 ALA A 79 29.218 -17.430 -6.445 1.00 35.45 H new ATOM 0 HB3 ALA A 79 29.828 -15.820 -5.993 1.00 35.45 H new ATOM 1238 N ASN A 80 29.783 -14.707 -9.789 1.00 41.41 N ATOM 1239 CA ASN A 80 29.821 -13.383 -10.401 1.00 70.42 C ATOM 1240 C ASN A 80 28.487 -13.051 -11.062 1.00 75.42 C ATOM 1241 O ASN A 80 27.586 -13.888 -11.121 1.00 75.42 O ATOM 1242 CB ASN A 80 30.947 -13.308 -11.434 1.00 61.53 C ATOM 1243 CG ASN A 80 31.534 -11.915 -11.550 1.00 12.11 C ATOM 1244 OD1 ASN A 80 31.465 -11.120 -10.612 1.00 72.40 O ATOM 1245 ND2 ASN A 80 32.115 -11.612 -12.705 1.00 2.12 N ATOM 0 H ASN A 80 29.369 -15.431 -10.376 1.00 41.41 H new ATOM 0 HA ASN A 80 30.009 -12.652 -9.615 1.00 70.42 H new ATOM 0 HB2 ASN A 80 31.735 -14.010 -11.160 1.00 61.53 H new ATOM 0 HB3 ASN A 80 30.566 -13.621 -12.406 1.00 61.53 H new ATOM 0 HD21 ASN A 80 32.527 -10.689 -12.842 1.00 2.12 H new ATOM 0 HD22 ASN A 80 32.149 -12.302 -13.455 1.00 2.12 H new ATOM 1252 N PHE A 81 28.367 -11.825 -11.559 1.00 5.43 N ATOM 1253 CA PHE A 81 27.143 -11.381 -12.215 1.00 63.15 C ATOM 1254 C PHE A 81 27.456 -10.694 -13.541 1.00 52.34 C ATOM 1255 O PHE A 81 28.618 -10.476 -13.881 1.00 71.21 O ATOM 1256 CB PHE A 81 26.367 -10.428 -11.304 1.00 42.14 C ATOM 1257 CG PHE A 81 27.213 -9.329 -10.727 1.00 31.34 C ATOM 1258 CD1 PHE A 81 27.669 -8.294 -11.527 1.00 32.22 C ATOM 1259 CD2 PHE A 81 27.552 -9.332 -9.383 1.00 64.12 C ATOM 1260 CE1 PHE A 81 28.447 -7.281 -10.998 1.00 70.42 C ATOM 1261 CE2 PHE A 81 28.330 -8.322 -8.849 1.00 52.00 C ATOM 1262 CZ PHE A 81 28.779 -7.296 -9.658 1.00 33.13 C ATOM 0 H PHE A 81 29.103 -11.120 -11.520 1.00 5.43 H new ATOM 0 HA PHE A 81 26.529 -12.259 -12.416 1.00 63.15 H new ATOM 0 HB2 PHE A 81 25.546 -9.986 -11.869 1.00 42.14 H new ATOM 0 HB3 PHE A 81 25.922 -10.999 -10.489 1.00 42.14 H new ATOM 0 HD1 PHE A 81 27.414 -8.278 -12.576 1.00 32.22 H new ATOM 0 HD2 PHE A 81 27.205 -10.132 -8.746 1.00 64.12 H new ATOM 0 HE1 PHE A 81 28.795 -6.479 -11.632 1.00 70.42 H new ATOM 0 HE2 PHE A 81 28.587 -8.335 -7.800 1.00 52.00 H new ATOM 0 HZ PHE A 81 29.389 -6.507 -9.243 1.00 33.13 H new ATOM 1272 N ASN A 82 26.409 -10.355 -14.287 1.00 13.14 N ATOM 1273 CA ASN A 82 26.570 -9.693 -15.576 1.00 64.32 C ATOM 1274 C ASN A 82 26.253 -8.205 -15.468 1.00 12.04 C ATOM 1275 O ASN A 82 25.951 -7.702 -14.386 1.00 43.34 O ATOM 1276 CB ASN A 82 25.665 -10.344 -16.624 1.00 21.31 C ATOM 1277 CG ASN A 82 26.283 -10.334 -18.009 1.00 2.13 C ATOM 1278 OD1 ASN A 82 25.740 -9.738 -18.939 1.00 34.12 O ATOM 1279 ND2 ASN A 82 27.426 -10.996 -18.151 1.00 53.45 N ATOM 0 H ASN A 82 25.440 -10.528 -14.020 1.00 13.14 H new ATOM 0 HA ASN A 82 27.610 -9.803 -15.885 1.00 64.32 H new ATOM 0 HB2 ASN A 82 25.455 -11.373 -16.330 1.00 21.31 H new ATOM 0 HB3 ASN A 82 24.710 -9.819 -16.652 1.00 21.31 H new ATOM 0 HD21 ASN A 82 27.889 -11.024 -19.059 1.00 53.45 H new ATOM 0 HD22 ASN A 82 27.840 -11.476 -17.352 1.00 53.45 H new ATOM 1286 N ASN A 83 26.322 -7.507 -16.596 1.00 44.24 N ATOM 1287 CA ASN A 83 26.042 -6.076 -16.629 1.00 3.15 C ATOM 1288 C ASN A 83 24.565 -5.805 -16.363 1.00 54.22 C ATOM 1289 O ASN A 83 23.761 -5.732 -17.292 1.00 72.31 O ATOM 1290 CB ASN A 83 26.446 -5.486 -17.982 1.00 34.34 C ATOM 1291 CG ASN A 83 27.950 -5.408 -18.152 1.00 44.55 C ATOM 1292 OD1 ASN A 83 28.686 -5.203 -17.187 1.00 21.43 O ATOM 1293 ND2 ASN A 83 28.415 -5.569 -19.386 1.00 31.30 N ATOM 0 H ASN A 83 26.570 -7.909 -17.500 1.00 44.24 H new ATOM 0 HA ASN A 83 26.628 -5.598 -15.844 1.00 3.15 H new ATOM 0 HB2 ASN A 83 26.024 -6.095 -18.781 1.00 34.34 H new ATOM 0 HB3 ASN A 83 26.019 -4.488 -18.082 1.00 34.34 H new ATOM 0 HD21 ASN A 83 29.419 -5.525 -19.563 1.00 31.30 H new ATOM 0 HD22 ASN A 83 27.768 -5.737 -20.157 1.00 31.30 H new ATOM 1300 N GLU A 84 24.215 -5.655 -15.089 1.00 62.53 N ATOM 1301 CA GLU A 84 22.834 -5.393 -14.702 1.00 41.54 C ATOM 1302 C GLU A 84 22.278 -4.187 -15.455 1.00 62.35 C ATOM 1303 O GLU A 84 22.920 -3.139 -15.534 1.00 32.41 O ATOM 1304 CB GLU A 84 22.740 -5.153 -13.194 1.00 44.11 C ATOM 1305 CG GLU A 84 21.319 -4.949 -12.697 1.00 50.24 C ATOM 1306 CD GLU A 84 21.252 -4.064 -11.468 1.00 21.45 C ATOM 1307 OE1 GLU A 84 21.708 -4.506 -10.393 1.00 23.55 O ATOM 1308 OE2 GLU A 84 20.743 -2.929 -11.581 1.00 25.32 O ATOM 0 H GLU A 84 24.869 -5.710 -14.308 1.00 62.53 H new ATOM 0 HA GLU A 84 22.239 -6.269 -14.961 1.00 41.54 H new ATOM 0 HB2 GLU A 84 23.180 -6.002 -12.671 1.00 44.11 H new ATOM 0 HB3 GLU A 84 23.335 -4.277 -12.936 1.00 44.11 H new ATOM 0 HG2 GLU A 84 20.720 -4.506 -13.492 1.00 50.24 H new ATOM 0 HG3 GLU A 84 20.876 -5.918 -12.467 1.00 50.24 H new ATOM 1315 N LYS A 85 21.080 -4.344 -16.009 1.00 25.10 N ATOM 1316 CA LYS A 85 20.436 -3.270 -16.756 1.00 33.43 C ATOM 1317 C LYS A 85 19.037 -2.995 -16.214 1.00 74.01 C ATOM 1318 O LYS A 85 18.483 -3.796 -15.460 1.00 42.51 O ATOM 1319 CB LYS A 85 20.357 -3.630 -18.241 1.00 64.11 C ATOM 1320 CG LYS A 85 19.407 -4.777 -18.540 1.00 41.31 C ATOM 1321 CD LYS A 85 19.618 -5.325 -19.941 1.00 41.24 C ATOM 1322 CE LYS A 85 19.062 -4.383 -20.998 1.00 52.31 C ATOM 1323 NZ LYS A 85 17.630 -4.666 -21.295 1.00 43.31 N ATOM 0 H LYS A 85 20.536 -5.205 -15.955 1.00 25.10 H new ATOM 0 HA LYS A 85 21.037 -2.368 -16.639 1.00 33.43 H new ATOM 0 HB2 LYS A 85 20.040 -2.751 -18.803 1.00 64.11 H new ATOM 0 HB3 LYS A 85 21.354 -3.893 -18.596 1.00 64.11 H new ATOM 0 HG2 LYS A 85 19.556 -5.573 -17.811 1.00 41.31 H new ATOM 0 HG3 LYS A 85 18.378 -4.435 -18.433 1.00 41.31 H new ATOM 0 HD2 LYS A 85 20.683 -5.481 -20.115 1.00 41.24 H new ATOM 0 HD3 LYS A 85 19.135 -6.298 -20.029 1.00 41.24 H new ATOM 0 HE2 LYS A 85 19.166 -3.353 -20.657 1.00 52.31 H new ATOM 0 HE3 LYS A 85 19.648 -4.477 -21.912 1.00 52.31 H new ATOM 0 HZ1 LYS A 85 17.183 -3.815 -21.693 1.00 43.31 H new ATOM 0 HZ2 LYS A 85 17.565 -5.445 -21.981 1.00 43.31 H new ATOM 0 HZ3 LYS A 85 17.140 -4.936 -20.418 1.00 43.31 H new ATOM 1337 N VAL A 86 18.469 -1.858 -16.604 1.00 71.25 N ATOM 1338 CA VAL A 86 17.133 -1.479 -16.160 1.00 41.21 C ATOM 1339 C VAL A 86 16.134 -1.537 -17.310 1.00 42.54 C ATOM 1340 O VAL A 86 16.462 -1.198 -18.448 1.00 0.41 O ATOM 1341 CB VAL A 86 17.124 -0.061 -15.557 1.00 73.42 C ATOM 1342 CG1 VAL A 86 18.101 0.031 -14.395 1.00 51.33 C ATOM 1343 CG2 VAL A 86 17.451 0.973 -16.624 1.00 31.14 C ATOM 0 H VAL A 86 18.914 -1.183 -17.227 1.00 71.25 H new ATOM 0 HA VAL A 86 16.839 -2.195 -15.392 1.00 41.21 H new ATOM 0 HB VAL A 86 16.124 0.148 -15.176 1.00 73.42 H new ATOM 0 HG11 VAL A 86 18.081 1.039 -13.982 1.00 51.33 H new ATOM 0 HG12 VAL A 86 17.816 -0.683 -13.623 1.00 51.33 H new ATOM 0 HG13 VAL A 86 19.107 -0.197 -14.747 1.00 51.33 H new ATOM 0 HG21 VAL A 86 17.440 1.969 -16.181 1.00 31.14 H new ATOM 0 HG22 VAL A 86 18.439 0.770 -17.037 1.00 31.14 H new ATOM 0 HG23 VAL A 86 16.708 0.922 -17.420 1.00 31.14 H new ATOM 1353 N ILE A 87 14.915 -1.967 -17.006 1.00 74.55 N ATOM 1354 CA ILE A 87 13.867 -2.068 -18.015 1.00 41.00 C ATOM 1355 C ILE A 87 12.543 -1.525 -17.489 1.00 1.35 C ATOM 1356 O ILE A 87 12.449 -1.097 -16.337 1.00 73.02 O ATOM 1357 CB ILE A 87 13.665 -3.524 -18.474 1.00 64.20 C ATOM 1358 CG1 ILE A 87 13.294 -4.410 -17.283 1.00 63.53 C ATOM 1359 CG2 ILE A 87 14.922 -4.043 -19.156 1.00 62.43 C ATOM 1360 CD1 ILE A 87 14.493 -4.970 -16.550 1.00 10.24 C ATOM 0 H ILE A 87 14.628 -2.251 -16.069 1.00 74.55 H new ATOM 0 HA ILE A 87 14.191 -1.469 -18.866 1.00 41.00 H new ATOM 0 HB ILE A 87 12.846 -3.553 -19.193 1.00 64.20 H new ATOM 0 HG12 ILE A 87 12.689 -3.832 -16.585 1.00 63.53 H new ATOM 0 HG13 ILE A 87 12.674 -5.235 -17.634 1.00 63.53 H new ATOM 0 HG21 ILE A 87 14.764 -5.073 -19.475 1.00 62.43 H new ATOM 0 HG22 ILE A 87 15.146 -3.424 -20.025 1.00 62.43 H new ATOM 0 HG23 ILE A 87 15.758 -4.004 -18.457 1.00 62.43 H new ATOM 0 HD11 ILE A 87 14.155 -5.588 -15.718 1.00 10.24 H new ATOM 0 HD12 ILE A 87 15.087 -5.576 -17.234 1.00 10.24 H new ATOM 0 HD13 ILE A 87 15.102 -4.150 -16.169 1.00 10.24 H new ATOM 1372 N LEU A 88 11.522 -1.546 -18.338 1.00 12.03 N ATOM 1373 CA LEU A 88 10.201 -1.057 -17.958 1.00 33.30 C ATOM 1374 C LEU A 88 9.571 -1.957 -16.900 1.00 33.13 C ATOM 1375 O LEU A 88 9.259 -1.511 -15.795 1.00 64.21 O ATOM 1376 CB LEU A 88 9.291 -0.981 -19.186 1.00 4.44 C ATOM 1377 CG LEU A 88 9.317 0.338 -19.959 1.00 4.42 C ATOM 1378 CD1 LEU A 88 10.539 0.403 -20.863 1.00 14.23 C ATOM 1379 CD2 LEU A 88 8.041 0.506 -20.771 1.00 22.05 C ATOM 0 H LEU A 88 11.583 -1.896 -19.294 1.00 12.03 H new ATOM 0 HA LEU A 88 10.318 -0.058 -17.537 1.00 33.30 H new ATOM 0 HB2 LEU A 88 9.567 -1.785 -19.869 1.00 4.44 H new ATOM 0 HB3 LEU A 88 8.266 -1.172 -18.867 1.00 4.44 H new ATOM 0 HG LEU A 88 9.377 1.156 -19.241 1.00 4.42 H new ATOM 0 HD11 LEU A 88 10.541 1.349 -21.405 1.00 14.23 H new ATOM 0 HD12 LEU A 88 11.443 0.330 -20.259 1.00 14.23 H new ATOM 0 HD13 LEU A 88 10.510 -0.423 -21.574 1.00 14.23 H new ATOM 0 HD21 LEU A 88 8.077 1.450 -21.314 1.00 22.05 H new ATOM 0 HD22 LEU A 88 7.950 -0.317 -21.480 1.00 22.05 H new ATOM 0 HD23 LEU A 88 7.181 0.506 -20.101 1.00 22.05 H new ATOM 1391 N LYS A 89 9.387 -3.227 -17.244 1.00 21.32 N ATOM 1392 CA LYS A 89 8.798 -4.192 -16.323 1.00 73.33 C ATOM 1393 C LYS A 89 9.313 -5.600 -16.607 1.00 54.33 C ATOM 1394 O LYS A 89 10.171 -5.796 -17.469 1.00 55.12 O ATOM 1395 CB LYS A 89 7.271 -4.165 -16.431 1.00 44.34 C ATOM 1396 CG LYS A 89 6.757 -4.401 -17.841 1.00 1.41 C ATOM 1397 CD LYS A 89 5.277 -4.076 -17.956 1.00 61.21 C ATOM 1398 CE LYS A 89 4.827 -4.035 -19.408 1.00 40.44 C ATOM 1399 NZ LYS A 89 3.350 -3.890 -19.527 1.00 53.43 N ATOM 0 H LYS A 89 9.637 -3.612 -18.155 1.00 21.32 H new ATOM 0 HA LYS A 89 9.090 -3.915 -15.310 1.00 73.33 H new ATOM 0 HB2 LYS A 89 6.855 -4.925 -15.770 1.00 44.34 H new ATOM 0 HB3 LYS A 89 6.907 -3.200 -16.077 1.00 44.34 H new ATOM 0 HG2 LYS A 89 7.321 -3.786 -18.543 1.00 1.41 H new ATOM 0 HG3 LYS A 89 6.925 -5.441 -18.121 1.00 1.41 H new ATOM 0 HD2 LYS A 89 4.696 -4.823 -17.415 1.00 61.21 H new ATOM 0 HD3 LYS A 89 5.077 -3.114 -17.485 1.00 61.21 H new ATOM 0 HE2 LYS A 89 5.316 -3.204 -19.916 1.00 40.44 H new ATOM 0 HE3 LYS A 89 5.144 -4.948 -19.912 1.00 40.44 H new ATOM 0 HZ1 LYS A 89 3.083 -3.866 -20.532 1.00 53.43 H new ATOM 0 HZ2 LYS A 89 2.884 -4.696 -19.064 1.00 53.43 H new ATOM 0 HZ3 LYS A 89 3.050 -3.006 -19.068 1.00 53.43 H new ATOM 1413 N LEU A 90 8.783 -6.576 -15.879 1.00 24.51 N ATOM 1414 CA LEU A 90 9.189 -7.967 -16.054 1.00 15.03 C ATOM 1415 C LEU A 90 8.834 -8.466 -17.451 1.00 44.30 C ATOM 1416 O LEU A 90 8.010 -7.869 -18.144 1.00 0.23 O ATOM 1417 CB LEU A 90 8.519 -8.850 -15.000 1.00 32.34 C ATOM 1418 CG LEU A 90 8.650 -8.382 -13.550 1.00 14.21 C ATOM 1419 CD1 LEU A 90 7.776 -9.226 -12.635 1.00 63.42 C ATOM 1420 CD2 LEU A 90 10.103 -8.435 -13.101 1.00 53.24 C ATOM 0 H LEU A 90 8.072 -6.431 -15.162 1.00 24.51 H new ATOM 0 HA LEU A 90 10.271 -8.022 -15.932 1.00 15.03 H new ATOM 0 HB2 LEU A 90 7.459 -8.928 -15.241 1.00 32.34 H new ATOM 0 HB3 LEU A 90 8.938 -9.853 -15.076 1.00 32.34 H new ATOM 0 HG LEU A 90 8.310 -7.348 -13.491 1.00 14.21 H new ATOM 0 HD11 LEU A 90 7.883 -8.878 -11.608 1.00 63.42 H new ATOM 0 HD12 LEU A 90 6.734 -9.136 -12.942 1.00 63.42 H new ATOM 0 HD13 LEU A 90 8.084 -10.270 -12.698 1.00 63.42 H new ATOM 0 HD21 LEU A 90 10.177 -8.098 -12.067 1.00 53.24 H new ATOM 0 HD22 LEU A 90 10.470 -9.459 -13.177 1.00 53.24 H new ATOM 0 HD23 LEU A 90 10.704 -7.786 -13.738 1.00 53.24 H new ATOM 1432 N ASP A 91 9.461 -9.564 -17.858 1.00 21.12 N ATOM 1433 CA ASP A 91 9.210 -10.146 -19.171 1.00 51.33 C ATOM 1434 C ASP A 91 8.502 -11.491 -19.044 1.00 15.33 C ATOM 1435 O ASP A 91 7.761 -11.901 -19.937 1.00 54.25 O ATOM 1436 CB ASP A 91 10.523 -10.318 -19.936 1.00 42.52 C ATOM 1437 CG ASP A 91 10.327 -10.281 -21.439 1.00 60.11 C ATOM 1438 OD1 ASP A 91 10.057 -11.349 -22.029 1.00 5.33 O ATOM 1439 OD2 ASP A 91 10.442 -9.185 -22.026 1.00 1.25 O ATOM 0 H ASP A 91 10.147 -10.069 -17.297 1.00 21.12 H new ATOM 0 HA ASP A 91 8.562 -9.466 -19.724 1.00 51.33 H new ATOM 0 HB2 ASP A 91 11.216 -9.529 -19.644 1.00 42.52 H new ATOM 0 HB3 ASP A 91 10.982 -11.266 -19.656 1.00 42.52 H new ATOM 1444 N TYR A 92 8.735 -12.173 -17.928 1.00 40.21 N ATOM 1445 CA TYR A 92 8.122 -13.473 -17.685 1.00 22.31 C ATOM 1446 C TYR A 92 6.948 -13.350 -16.719 1.00 32.11 C ATOM 1447 O TYR A 92 6.786 -12.331 -16.048 1.00 32.03 O ATOM 1448 CB TYR A 92 9.157 -14.451 -17.126 1.00 34.44 C ATOM 1449 CG TYR A 92 9.944 -15.176 -18.194 1.00 23.14 C ATOM 1450 CD1 TYR A 92 10.562 -14.477 -19.224 1.00 12.15 C ATOM 1451 CD2 TYR A 92 10.070 -16.560 -18.174 1.00 3.54 C ATOM 1452 CE1 TYR A 92 11.282 -15.135 -20.202 1.00 51.40 C ATOM 1453 CE2 TYR A 92 10.790 -17.225 -19.147 1.00 34.41 C ATOM 1454 CZ TYR A 92 11.393 -16.509 -20.159 1.00 43.31 C ATOM 1455 OH TYR A 92 12.110 -17.169 -21.131 1.00 54.53 O ATOM 0 H TYR A 92 9.344 -11.847 -17.178 1.00 40.21 H new ATOM 0 HA TYR A 92 7.748 -13.854 -18.635 1.00 22.31 H new ATOM 0 HB2 TYR A 92 9.849 -13.907 -16.483 1.00 34.44 H new ATOM 0 HB3 TYR A 92 8.650 -15.185 -16.499 1.00 34.44 H new ATOM 0 HD1 TYR A 92 10.478 -13.401 -19.260 1.00 12.15 H new ATOM 0 HD2 TYR A 92 9.597 -17.125 -17.384 1.00 3.54 H new ATOM 0 HE1 TYR A 92 11.755 -14.577 -20.996 1.00 51.40 H new ATOM 0 HE2 TYR A 92 10.880 -18.301 -19.115 1.00 34.41 H new ATOM 0 HH TYR A 92 12.091 -18.133 -20.954 1.00 54.53 H new ATOM 1465 N SER A 93 6.131 -14.397 -16.654 1.00 41.21 N ATOM 1466 CA SER A 93 4.969 -14.406 -15.773 1.00 62.30 C ATOM 1467 C SER A 93 5.336 -14.952 -14.396 1.00 73.34 C ATOM 1468 O SER A 93 4.821 -14.492 -13.377 1.00 24.22 O ATOM 1469 CB SER A 93 3.846 -15.246 -16.385 1.00 12.34 C ATOM 1470 OG SER A 93 3.203 -14.548 -17.438 1.00 23.24 O ATOM 0 H SER A 93 6.252 -15.249 -17.201 1.00 41.21 H new ATOM 0 HA SER A 93 4.623 -13.379 -15.657 1.00 62.30 H new ATOM 0 HB2 SER A 93 4.253 -16.184 -16.762 1.00 12.34 H new ATOM 0 HB3 SER A 93 3.118 -15.501 -15.615 1.00 12.34 H new ATOM 0 HG SER A 93 2.491 -15.106 -17.814 1.00 23.24 H new ATOM 1476 N ASP A 94 6.228 -15.936 -14.376 1.00 30.23 N ATOM 1477 CA ASP A 94 6.665 -16.546 -13.125 1.00 44.42 C ATOM 1478 C ASP A 94 7.829 -17.503 -13.365 1.00 35.11 C ATOM 1479 O ASP A 94 7.983 -18.048 -14.458 1.00 53.23 O ATOM 1480 CB ASP A 94 5.505 -17.289 -12.462 1.00 71.10 C ATOM 1481 CG ASP A 94 5.143 -18.567 -13.193 1.00 24.44 C ATOM 1482 OD1 ASP A 94 4.957 -18.514 -14.426 1.00 54.55 O ATOM 1483 OD2 ASP A 94 5.048 -19.622 -12.531 1.00 1.12 O ATOM 0 H ASP A 94 6.663 -16.328 -15.211 1.00 30.23 H new ATOM 0 HA ASP A 94 7.003 -15.751 -12.460 1.00 44.42 H new ATOM 0 HB2 ASP A 94 5.771 -17.526 -11.432 1.00 71.10 H new ATOM 0 HB3 ASP A 94 4.633 -16.636 -12.424 1.00 71.10 H new ATOM 1488 N PHE A 95 8.645 -17.703 -12.336 1.00 24.00 N ATOM 1489 CA PHE A 95 9.796 -18.593 -12.435 1.00 62.12 C ATOM 1490 C PHE A 95 9.380 -19.964 -12.960 1.00 32.11 C ATOM 1491 O PHE A 95 8.315 -20.475 -12.613 1.00 42.14 O ATOM 1492 CB PHE A 95 10.473 -18.741 -11.071 1.00 13.23 C ATOM 1493 CG PHE A 95 9.534 -19.170 -9.980 1.00 21.44 C ATOM 1494 CD1 PHE A 95 9.269 -20.513 -9.765 1.00 21.33 C ATOM 1495 CD2 PHE A 95 8.917 -18.232 -9.169 1.00 3.53 C ATOM 1496 CE1 PHE A 95 8.405 -20.911 -8.762 1.00 22.20 C ATOM 1497 CE2 PHE A 95 8.053 -18.623 -8.164 1.00 33.51 C ATOM 1498 CZ PHE A 95 7.797 -19.965 -7.960 1.00 22.32 C ATOM 0 H PHE A 95 8.531 -17.261 -11.424 1.00 24.00 H new ATOM 0 HA PHE A 95 10.504 -18.153 -13.138 1.00 62.12 H new ATOM 0 HB2 PHE A 95 11.280 -19.469 -11.152 1.00 13.23 H new ATOM 0 HB3 PHE A 95 10.928 -17.790 -10.795 1.00 13.23 H new ATOM 0 HD1 PHE A 95 9.743 -21.257 -10.388 1.00 21.33 H new ATOM 0 HD2 PHE A 95 9.114 -17.181 -9.324 1.00 3.53 H new ATOM 0 HE1 PHE A 95 8.206 -21.961 -8.606 1.00 22.20 H new ATOM 0 HE2 PHE A 95 7.579 -17.881 -7.539 1.00 33.51 H new ATOM 0 HZ PHE A 95 7.123 -20.274 -7.175 1.00 22.32 H new ATOM 1508 N GLN A 96 10.227 -20.553 -13.798 1.00 2.23 N ATOM 1509 CA GLN A 96 9.947 -21.864 -14.371 1.00 53.44 C ATOM 1510 C GLN A 96 11.238 -22.575 -14.761 1.00 43.13 C ATOM 1511 O GLN A 96 12.102 -21.996 -15.422 1.00 33.34 O ATOM 1512 CB GLN A 96 9.038 -21.725 -15.594 1.00 40.31 C ATOM 1513 CG GLN A 96 7.557 -21.808 -15.264 1.00 14.14 C ATOM 1514 CD GLN A 96 7.185 -23.104 -14.570 1.00 3.43 C ATOM 1515 OE1 GLN A 96 6.534 -23.097 -13.525 1.00 32.12 O ATOM 1516 NE2 GLN A 96 7.599 -24.225 -15.148 1.00 53.05 N ATOM 0 H GLN A 96 11.113 -20.143 -14.095 1.00 2.23 H new ATOM 0 HA GLN A 96 9.439 -22.462 -13.615 1.00 53.44 H new ATOM 0 HB2 GLN A 96 9.240 -20.771 -16.080 1.00 40.31 H new ATOM 0 HB3 GLN A 96 9.286 -22.507 -16.311 1.00 40.31 H new ATOM 0 HG2 GLN A 96 7.283 -20.967 -14.626 1.00 14.14 H new ATOM 0 HG3 GLN A 96 6.978 -21.713 -16.183 1.00 14.14 H new ATOM 0 HE21 GLN A 96 8.136 -24.184 -16.014 1.00 53.05 H new ATOM 0 HE22 GLN A 96 7.380 -25.127 -14.726 1.00 53.05 H new ATOM 1525 N ILE A 97 11.364 -23.832 -14.348 1.00 53.53 N ATOM 1526 CA ILE A 97 12.550 -24.621 -14.655 1.00 73.33 C ATOM 1527 C ILE A 97 12.599 -24.986 -16.135 1.00 62.30 C ATOM 1528 O ILE A 97 11.571 -25.267 -16.751 1.00 40.11 O ATOM 1529 CB ILE A 97 12.598 -25.913 -13.818 1.00 4.34 C ATOM 1530 CG1 ILE A 97 12.582 -25.579 -12.324 1.00 53.15 C ATOM 1531 CG2 ILE A 97 13.835 -26.726 -14.170 1.00 73.42 C ATOM 1532 CD1 ILE A 97 13.797 -24.805 -11.865 1.00 2.04 C ATOM 0 H ILE A 97 10.659 -24.325 -13.800 1.00 53.53 H new ATOM 0 HA ILE A 97 13.413 -24.004 -14.406 1.00 73.33 H new ATOM 0 HB ILE A 97 11.716 -26.511 -14.048 1.00 4.34 H new ATOM 0 HG12 ILE A 97 11.686 -25.000 -12.099 1.00 53.15 H new ATOM 0 HG13 ILE A 97 12.515 -26.505 -11.754 1.00 53.15 H new ATOM 0 HG21 ILE A 97 13.855 -27.636 -13.570 1.00 73.42 H new ATOM 0 HG22 ILE A 97 13.809 -26.989 -15.228 1.00 73.42 H new ATOM 0 HG23 ILE A 97 14.728 -26.136 -13.965 1.00 73.42 H new ATOM 0 HD11 ILE A 97 13.718 -24.603 -10.797 1.00 2.04 H new ATOM 0 HD12 ILE A 97 14.696 -25.391 -12.058 1.00 2.04 H new ATOM 0 HD13 ILE A 97 13.855 -23.862 -12.409 1.00 2.04 H new ATOM 1544 N VAL A 98 13.802 -24.982 -16.700 1.00 25.20 N ATOM 1545 CA VAL A 98 13.987 -25.316 -18.107 1.00 44.22 C ATOM 1546 C VAL A 98 14.852 -26.561 -18.268 1.00 32.33 C ATOM 1547 O VAL A 98 16.002 -26.594 -17.829 1.00 52.40 O ATOM 1548 CB VAL A 98 14.636 -24.151 -18.880 1.00 35.44 C ATOM 1549 CG1 VAL A 98 14.833 -24.524 -20.341 1.00 74.01 C ATOM 1550 CG2 VAL A 98 13.792 -22.892 -18.751 1.00 33.30 C ATOM 0 H VAL A 98 14.663 -24.751 -16.205 1.00 25.20 H new ATOM 0 HA VAL A 98 12.996 -25.509 -18.519 1.00 44.22 H new ATOM 0 HB VAL A 98 15.616 -23.950 -18.447 1.00 35.44 H new ATOM 0 HG11 VAL A 98 15.292 -23.689 -20.871 1.00 74.01 H new ATOM 0 HG12 VAL A 98 15.481 -25.398 -20.409 1.00 74.01 H new ATOM 0 HG13 VAL A 98 13.867 -24.752 -20.792 1.00 74.01 H new ATOM 0 HG21 VAL A 98 14.264 -22.079 -19.303 1.00 33.30 H new ATOM 0 HG22 VAL A 98 12.798 -23.077 -19.158 1.00 33.30 H new ATOM 0 HG23 VAL A 98 13.708 -22.616 -17.700 1.00 33.30 H new ATOM 1560 N LYS A 99 14.291 -27.586 -18.900 1.00 70.51 N ATOM 1561 CA LYS A 99 15.010 -28.836 -19.121 1.00 51.55 C ATOM 1562 C LYS A 99 15.790 -28.790 -20.432 1.00 14.33 C ATOM 1563 O LYS A 99 16.251 -29.818 -20.927 1.00 72.31 O ATOM 1564 CB LYS A 99 14.034 -30.014 -19.138 1.00 15.14 C ATOM 1565 CG LYS A 99 13.460 -30.347 -17.771 1.00 54.14 C ATOM 1566 CD LYS A 99 12.298 -29.434 -17.417 1.00 32.01 C ATOM 1567 CE LYS A 99 11.519 -29.961 -16.221 1.00 61.35 C ATOM 1568 NZ LYS A 99 10.461 -29.009 -15.785 1.00 3.44 N ATOM 0 H LYS A 99 13.340 -27.576 -19.269 1.00 70.51 H new ATOM 0 HA LYS A 99 15.716 -28.969 -18.302 1.00 51.55 H new ATOM 0 HB2 LYS A 99 13.216 -29.787 -19.821 1.00 15.14 H new ATOM 0 HB3 LYS A 99 14.544 -30.893 -19.532 1.00 15.14 H new ATOM 0 HG2 LYS A 99 13.126 -31.384 -17.759 1.00 54.14 H new ATOM 0 HG3 LYS A 99 14.240 -30.254 -17.015 1.00 54.14 H new ATOM 0 HD2 LYS A 99 12.673 -28.435 -17.196 1.00 32.01 H new ATOM 0 HD3 LYS A 99 11.632 -29.342 -18.275 1.00 32.01 H new ATOM 0 HE2 LYS A 99 11.064 -30.918 -16.477 1.00 61.35 H new ATOM 0 HE3 LYS A 99 12.205 -30.146 -15.394 1.00 61.35 H new ATOM 0 HZ1 LYS A 99 9.953 -29.405 -14.968 1.00 3.44 H new ATOM 0 HZ2 LYS A 99 10.898 -28.104 -15.516 1.00 3.44 H new ATOM 0 HZ3 LYS A 99 9.792 -28.852 -16.566 1.00 3.44 H new TER 1582 LYS A 99