USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 810 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 94 ASN : amide:sc= -1.6 K(o=-3,f=-13!) USER MOD Set 1.2: A 97 THR OG1 : rot -169:sc= -1.4 USER MOD Set 2.1: A 24 SER OG : rot -130:sc= 1.97 USER MOD Set 2.2: A 28 TYR OH : rot 80:sc= 0.981 USER MOD Set 2.3: A 81 ASN : amide:sc= -4.04! C(o=4.7!,f=-1.2!) USER MOD Set 2.4: A 83 TYR OH : rot -143:sc= 2.28 USER MOD Set 2.5: A 89 TYR OH : rot -174:sc= 1.1 USER MOD Set 2.6: A 92 THR OG1 : rot -94:sc= 2.42 USER MOD Set 3.1: A 79 TYR OH : rot -49:sc= 0.882 USER MOD Set 3.2: A 113 TYR OH : rot 54:sc= 1! USER MOD Set 4.1: A 29 ASN : amide:sc= -16.3! C(o=-19!,f=-20!) USER MOD Set 4.2: A 72 ASN : amide:sc= -2.48 K(o=-19,f=-21!) USER MOD Set 5.1: A 9 ASN :FLIP amide:sc= -0.522 F(o=-1.3,f=-0.12) USER MOD Set 5.2: A 66 TYR OH : rot -115:sc= 0.405 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0475 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 3 MET CE :methyl 161:sc= -0.127 (180deg=-0.602) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0534 USER MOD Single : A 6 SER OG : rot -162:sc= 1.44 USER MOD Single : A 10 MET CE :methyl -156:sc=-0.00747 (180deg=-1.31) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -171:sc= 1.2 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0413 F(o=-0.88,f=-0.041) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.278 K(o=-0.28,f=-0.97) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.386 F(o=-4.6!,f=-0.39) USER MOD Single : A 38 ASN : amide:sc= 0.901 K(o=0.9,f=-3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 93:sc= -2.67! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0741 K(o=-0.074,f=-1.2!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.786 F(o=-2.1,f=-0.79) USER MOD Single : A 77 ASN : amide:sc= -0.0405 K(o=-0.04,f=-1.2!) USER MOD Single : A 80 TYR OH : rot 59:sc= -1.29! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -143:sc= -3.96! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0132 K(o=-0.013,f=-3.1!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.227 6.442 -11.839 1.00 9.37 N ATOM 2 CA GLY A 1 -20.690 6.677 -10.451 1.00 8.59 C ATOM 3 C GLY A 1 -21.151 8.102 -10.240 1.00 7.91 C ATOM 4 O GLY A 1 -20.743 9.007 -10.968 1.00 8.10 O ATOM 0 H1 GLY A 1 -20.888 5.800 -12.321 1.00 9.37 H new ATOM 0 H2 GLY A 1 -20.188 7.347 -12.350 1.00 9.37 H new ATOM 0 H3 GLY A 1 -19.279 6.014 -11.821 1.00 9.37 H new ATOM 0 HA2 GLY A 1 -21.508 5.994 -10.221 1.00 8.59 H new ATOM 0 HA3 GLY A 1 -19.881 6.451 -9.756 1.00 8.59 H new ATOM 10 N HIS A 2 -22.014 8.308 -9.257 1.00 7.42 N ATOM 11 CA HIS A 2 -22.517 9.643 -8.960 1.00 7.06 C ATOM 12 C HIS A 2 -22.026 10.124 -7.598 1.00 6.29 C ATOM 13 O HIS A 2 -22.036 11.320 -7.317 1.00 6.27 O ATOM 14 CB HIS A 2 -24.051 9.686 -9.019 1.00 7.61 C ATOM 15 CG HIS A 2 -24.752 8.776 -8.051 1.00 7.99 C ATOM 16 ND1 HIS A 2 -25.038 9.133 -6.752 1.00 8.53 N ATOM 17 CD2 HIS A 2 -25.249 7.527 -8.211 1.00 8.23 C ATOM 18 CE1 HIS A 2 -25.678 8.145 -6.157 1.00 9.04 C ATOM 19 NE2 HIS A 2 -25.822 7.156 -7.020 1.00 8.89 N ATOM 0 H HIS A 2 -22.380 7.572 -8.653 1.00 7.42 H new ATOM 0 HA HIS A 2 -22.127 10.316 -9.724 1.00 7.06 H new ATOM 0 HB2 HIS A 2 -24.378 10.709 -8.833 1.00 7.61 H new ATOM 0 HB3 HIS A 2 -24.368 9.429 -10.030 1.00 7.61 H new ATOM 0 HD2 HIS A 2 -25.203 6.932 -9.111 1.00 8.23 H new ATOM 0 HE1 HIS A 2 -26.026 8.145 -5.135 1.00 9.04 H new ATOM 0 HE2 HIS A 2 -26.282 6.265 -6.833 1.00 8.89 H new ATOM 28 N MET A 3 -21.596 9.192 -6.758 1.00 6.00 N ATOM 29 CA MET A 3 -21.106 9.544 -5.435 1.00 5.58 C ATOM 30 C MET A 3 -19.624 9.897 -5.503 1.00 4.91 C ATOM 31 O MET A 3 -19.265 11.074 -5.517 1.00 5.15 O ATOM 32 CB MET A 3 -21.340 8.396 -4.445 1.00 6.12 C ATOM 33 CG MET A 3 -20.928 8.721 -3.014 1.00 6.74 C ATOM 34 SD MET A 3 -21.897 10.063 -2.295 1.00 7.54 S ATOM 35 CE MET A 3 -23.536 9.338 -2.285 1.00 8.13 C ATOM 0 H MET A 3 -21.577 8.194 -6.968 1.00 6.00 H new ATOM 0 HA MET A 3 -21.659 10.414 -5.081 1.00 5.58 H new ATOM 0 HB2 MET A 3 -22.397 8.129 -4.457 1.00 6.12 H new ATOM 0 HB3 MET A 3 -20.786 7.520 -4.782 1.00 6.12 H new ATOM 0 HG2 MET A 3 -21.038 7.829 -2.398 1.00 6.74 H new ATOM 0 HG3 MET A 3 -19.872 8.992 -2.997 1.00 6.74 H new ATOM 0 HE1 MET A 3 -24.170 9.881 -1.584 1.00 8.13 H new ATOM 0 HE2 MET A 3 -23.967 9.398 -3.285 1.00 8.13 H new ATOM 0 HE3 MET A 3 -23.470 8.293 -1.981 1.00 8.13 H new ATOM 45 N SER A 4 -18.785 8.867 -5.578 1.00 4.47 N ATOM 46 CA SER A 4 -17.340 9.021 -5.686 1.00 4.12 C ATOM 47 C SER A 4 -16.679 7.661 -5.524 1.00 2.93 C ATOM 48 O SER A 4 -17.127 6.845 -4.720 1.00 3.19 O ATOM 49 CB SER A 4 -16.795 9.977 -4.612 1.00 5.00 C ATOM 50 OG SER A 4 -15.396 10.168 -4.753 1.00 5.76 O ATOM 0 H SER A 4 -19.093 7.895 -5.565 1.00 4.47 H new ATOM 0 HA SER A 4 -17.114 9.442 -6.666 1.00 4.12 H new ATOM 0 HB2 SER A 4 -17.304 10.938 -4.685 1.00 5.00 H new ATOM 0 HB3 SER A 4 -17.011 9.576 -3.622 1.00 5.00 H new ATOM 0 HG SER A 4 -15.078 10.781 -4.058 1.00 5.76 H new ATOM 56 N ARG A 5 -15.641 7.400 -6.301 1.00 2.17 N ATOM 57 CA ARG A 5 -14.849 6.201 -6.094 1.00 1.45 C ATOM 58 C ARG A 5 -13.467 6.593 -5.590 1.00 1.37 C ATOM 59 O ARG A 5 -12.455 5.963 -5.902 1.00 2.25 O ATOM 60 CB ARG A 5 -14.772 5.343 -7.366 1.00 2.10 C ATOM 61 CG ARG A 5 -13.932 5.919 -8.496 1.00 2.57 C ATOM 62 CD ARG A 5 -13.910 4.961 -9.677 1.00 3.37 C ATOM 63 NE ARG A 5 -12.861 5.276 -10.646 1.00 3.96 N ATOM 64 CZ ARG A 5 -12.658 4.577 -11.763 1.00 4.93 C ATOM 65 NH1 ARG A 5 -13.464 3.567 -12.069 1.00 5.41 N1+ ATOM 66 NH2 ARG A 5 -11.653 4.887 -12.576 1.00 5.73 N ATOM 0 H ARG A 5 -15.331 7.993 -7.070 1.00 2.17 H new ATOM 0 HA ARG A 5 -15.335 5.582 -5.340 1.00 1.45 H new ATOM 0 HB2 ARG A 5 -14.370 4.366 -7.100 1.00 2.10 H new ATOM 0 HB3 ARG A 5 -15.785 5.181 -7.736 1.00 2.10 H new ATOM 0 HG2 ARG A 5 -14.339 6.881 -8.807 1.00 2.57 H new ATOM 0 HG3 ARG A 5 -12.915 6.100 -8.147 1.00 2.57 H new ATOM 0 HD2 ARG A 5 -13.766 3.944 -9.311 1.00 3.37 H new ATOM 0 HD3 ARG A 5 -14.878 4.986 -10.177 1.00 3.37 H new ATOM 0 HE ARG A 5 -12.252 6.073 -10.457 1.00 3.96 H new ATOM 0 HH11 ARG A 5 -14.238 3.326 -11.450 1.00 5.41 H new ATOM 0 HH12 ARG A 5 -13.309 3.032 -12.923 1.00 5.41 H new ATOM 0 HH21 ARG A 5 -11.032 5.663 -12.347 1.00 5.73 H new ATOM 0 HH22 ARG A 5 -11.503 4.349 -13.429 1.00 5.73 H new ATOM 80 N SER A 6 -13.442 7.659 -4.803 1.00 0.64 N ATOM 81 CA SER A 6 -12.213 8.151 -4.220 1.00 0.52 C ATOM 82 C SER A 6 -12.350 8.264 -2.714 1.00 0.51 C ATOM 83 O SER A 6 -13.150 9.051 -2.206 1.00 0.73 O ATOM 84 CB SER A 6 -11.846 9.507 -4.824 1.00 0.63 C ATOM 85 OG SER A 6 -10.629 10.004 -4.288 1.00 1.52 O ATOM 0 H SER A 6 -14.270 8.201 -4.555 1.00 0.64 H new ATOM 0 HA SER A 6 -11.415 7.443 -4.442 1.00 0.52 H new ATOM 0 HB2 SER A 6 -11.756 9.412 -5.906 1.00 0.63 H new ATOM 0 HB3 SER A 6 -12.647 10.221 -4.632 1.00 0.63 H new ATOM 0 HG SER A 6 -10.567 10.967 -4.457 1.00 1.52 H new ATOM 91 N GLU A 7 -11.571 7.462 -2.007 1.00 0.54 N ATOM 92 CA GLU A 7 -11.587 7.460 -0.558 1.00 0.53 C ATOM 93 C GLU A 7 -10.173 7.460 0.008 1.00 0.44 C ATOM 94 O GLU A 7 -9.847 8.281 0.861 1.00 0.55 O ATOM 95 CB GLU A 7 -12.371 6.259 -0.054 1.00 0.56 C ATOM 96 CG GLU A 7 -13.849 6.416 -0.256 1.00 0.73 C ATOM 97 CD GLU A 7 -14.655 5.243 0.254 1.00 1.22 C ATOM 98 OE1 GLU A 7 -15.323 4.576 -0.566 1.00 2.01 O ATOM 99 OE2 GLU A 7 -14.611 4.960 1.470 1.00 1.37 O1- ATOM 0 H GLU A 7 -10.915 6.799 -2.420 1.00 0.54 H new ATOM 0 HA GLU A 7 -12.077 8.371 -0.215 1.00 0.53 H new ATOM 0 HB2 GLU A 7 -12.029 5.362 -0.571 1.00 0.56 H new ATOM 0 HB3 GLU A 7 -12.165 6.113 1.006 1.00 0.56 H new ATOM 0 HG2 GLU A 7 -14.182 7.323 0.249 1.00 0.73 H new ATOM 0 HG3 GLU A 7 -14.050 6.550 -1.319 1.00 0.73 H new ATOM 106 N VAL A 8 -9.335 6.548 -0.494 1.00 0.30 N ATOM 107 CA VAL A 8 -7.940 6.438 -0.069 1.00 0.24 C ATOM 108 C VAL A 8 -7.803 6.275 1.450 1.00 0.19 C ATOM 109 O VAL A 8 -7.714 7.257 2.197 1.00 0.28 O ATOM 110 CB VAL A 8 -7.102 7.649 -0.517 1.00 0.32 C ATOM 111 CG1 VAL A 8 -5.636 7.451 -0.162 1.00 0.31 C ATOM 112 CG2 VAL A 8 -7.270 7.905 -2.010 1.00 0.45 C ATOM 0 H VAL A 8 -9.605 5.868 -1.204 1.00 0.30 H new ATOM 0 HA VAL A 8 -7.559 5.540 -0.555 1.00 0.24 H new ATOM 0 HB VAL A 8 -7.464 8.527 0.017 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -5.062 8.319 -0.488 1.00 0.31 H new ATOM 0 HG12 VAL A 8 -5.536 7.334 0.917 1.00 0.31 H new ATOM 0 HG13 VAL A 8 -5.258 6.558 -0.661 1.00 0.31 H new ATOM 0 HG21 VAL A 8 -6.668 8.766 -2.302 1.00 0.45 H new ATOM 0 HG22 VAL A 8 -6.944 7.028 -2.569 1.00 0.45 H new ATOM 0 HG23 VAL A 8 -8.319 8.105 -2.229 1.00 0.45 H new ATOM 122 N ASN A 9 -7.764 5.036 1.897 1.00 0.15 N ATOM 123 CA ASN A 9 -7.623 4.728 3.313 1.00 0.22 C ATOM 124 C ASN A 9 -6.960 3.370 3.502 1.00 0.16 C ATOM 125 O ASN A 9 -6.592 2.724 2.524 1.00 0.15 O ATOM 126 CB ASN A 9 -8.987 4.792 4.012 1.00 0.41 C ATOM 127 CG ASN A 9 -10.120 4.173 3.210 1.00 0.42 C ATOM 128 OD1 ASN A 9 -10.469 2.936 3.512 1.00 1.41 O flip ATOM 129 ND2 ASN A 9 -10.709 4.827 2.349 1.00 0.96 N flip ATOM 0 H ASN A 9 -7.829 4.215 1.295 1.00 0.15 H new ATOM 0 HA ASN A 9 -6.978 5.476 3.773 1.00 0.22 H new ATOM 0 HB2 ASN A 9 -8.916 4.284 4.974 1.00 0.41 H new ATOM 0 HB3 ASN A 9 -9.229 5.834 4.220 1.00 0.41 H new ATOM 0 HD21 ASN A 9 -10.412 5.781 2.141 1.00 0.96 H new ATOM 0 HD22 ASN A 9 -11.493 4.415 1.844 1.00 0.96 H new ATOM 136 N MET A 10 -6.771 2.963 4.753 1.00 0.15 N ATOM 137 CA MET A 10 -6.139 1.681 5.067 1.00 0.12 C ATOM 138 C MET A 10 -7.159 0.549 5.137 1.00 0.08 C ATOM 139 O MET A 10 -6.819 -0.628 5.110 1.00 0.09 O ATOM 140 CB MET A 10 -5.346 1.794 6.360 1.00 0.18 C ATOM 141 CG MET A 10 -4.034 2.544 6.189 1.00 0.39 C ATOM 142 SD MET A 10 -4.228 4.303 5.842 1.00 0.89 S ATOM 143 CE MET A 10 -2.547 4.718 5.379 1.00 0.24 C ATOM 0 H MET A 10 -7.047 3.504 5.572 1.00 0.15 H new ATOM 0 HA MET A 10 -5.451 1.434 4.258 1.00 0.12 H new ATOM 0 HB2 MET A 10 -5.953 2.302 7.109 1.00 0.18 H new ATOM 0 HB3 MET A 10 -5.139 0.794 6.742 1.00 0.18 H new ATOM 0 HG2 MET A 10 -3.441 2.427 7.096 1.00 0.39 H new ATOM 0 HG3 MET A 10 -3.469 2.085 5.377 1.00 0.39 H new ATOM 0 HE1 MET A 10 -2.376 5.782 5.544 1.00 0.24 H new ATOM 0 HE2 MET A 10 -1.849 4.141 5.986 1.00 0.24 H new ATOM 0 HE3 MET A 10 -2.391 4.484 4.326 1.00 0.24 H new ATOM 153 N GLY A 11 -8.391 0.972 5.241 1.00 0.10 N ATOM 154 CA GLY A 11 -9.593 0.142 5.116 1.00 0.10 C ATOM 155 C GLY A 11 -9.843 -0.859 6.232 1.00 0.08 C ATOM 156 O GLY A 11 -10.988 -1.057 6.624 1.00 0.10 O ATOM 0 H GLY A 11 -8.610 1.951 5.424 1.00 0.10 H new ATOM 0 HA2 GLY A 11 -10.458 0.802 5.049 1.00 0.10 H new ATOM 0 HA3 GLY A 11 -9.535 -0.404 4.174 1.00 0.10 H new ATOM 160 N LEU A 12 -8.810 -1.464 6.771 1.00 0.07 N ATOM 161 CA LEU A 12 -8.941 -2.236 7.982 1.00 0.07 C ATOM 162 C LEU A 12 -8.011 -1.701 9.040 1.00 0.08 C ATOM 163 O LEU A 12 -7.173 -0.833 8.782 1.00 0.09 O ATOM 164 CB LEU A 12 -8.682 -3.716 7.741 1.00 0.08 C ATOM 165 CG LEU A 12 -9.600 -4.413 6.733 1.00 0.08 C ATOM 166 CD1 LEU A 12 -9.252 -5.882 6.646 1.00 0.09 C ATOM 167 CD2 LEU A 12 -11.073 -4.255 7.078 1.00 0.11 C ATOM 0 H LEU A 12 -7.866 -1.435 6.387 1.00 0.07 H new ATOM 0 HA LEU A 12 -9.970 -2.140 8.329 1.00 0.07 H new ATOM 0 HB2 LEU A 12 -7.652 -3.832 7.402 1.00 0.08 H new ATOM 0 HB3 LEU A 12 -8.764 -4.237 8.695 1.00 0.08 H new ATOM 0 HG LEU A 12 -9.438 -3.932 5.768 1.00 0.08 H new ATOM 0 HD11 LEU A 12 -9.910 -6.370 5.927 1.00 0.09 H new ATOM 0 HD12 LEU A 12 -8.217 -5.992 6.324 1.00 0.09 H new ATOM 0 HD13 LEU A 12 -9.378 -6.344 7.625 1.00 0.09 H new ATOM 0 HD21 LEU A 12 -11.679 -4.768 6.331 1.00 0.11 H new ATOM 0 HD22 LEU A 12 -11.265 -4.687 8.060 1.00 0.11 H new ATOM 0 HD23 LEU A 12 -11.332 -3.196 7.090 1.00 0.11 H new ATOM 179 N SER A 13 -8.165 -2.223 10.226 1.00 0.10 N ATOM 180 CA SER A 13 -7.301 -1.905 11.315 1.00 0.12 C ATOM 181 C SER A 13 -6.162 -2.912 11.409 1.00 0.13 C ATOM 182 O SER A 13 -6.389 -4.103 11.623 1.00 0.16 O ATOM 183 CB SER A 13 -8.135 -1.901 12.580 1.00 0.15 C ATOM 184 OG SER A 13 -8.832 -0.676 12.734 1.00 1.20 O ATOM 0 H SER A 13 -8.903 -2.887 10.460 1.00 0.10 H new ATOM 0 HA SER A 13 -6.847 -0.925 11.167 1.00 0.12 H new ATOM 0 HB2 SER A 13 -8.847 -2.726 12.551 1.00 0.15 H new ATOM 0 HB3 SER A 13 -7.491 -2.066 13.443 1.00 0.15 H new ATOM 0 HG SER A 13 -9.363 -0.703 13.557 1.00 1.20 H new ATOM 190 N SER A 14 -4.937 -2.428 11.238 1.00 0.13 N ATOM 191 CA SER A 14 -3.754 -3.267 11.363 1.00 0.14 C ATOM 192 C SER A 14 -3.373 -3.430 12.835 1.00 0.17 C ATOM 193 O SER A 14 -2.264 -3.846 13.170 1.00 0.19 O ATOM 194 CB SER A 14 -2.591 -2.664 10.568 1.00 0.16 C ATOM 195 OG SER A 14 -2.349 -1.322 10.965 1.00 0.20 O ATOM 0 H SER A 14 -4.738 -1.454 11.011 1.00 0.13 H new ATOM 0 HA SER A 14 -3.977 -4.253 10.954 1.00 0.14 H new ATOM 0 HB2 SER A 14 -1.692 -3.261 10.722 1.00 0.16 H new ATOM 0 HB3 SER A 14 -2.818 -2.697 9.502 1.00 0.16 H new ATOM 0 HG SER A 14 -1.704 -0.911 10.352 1.00 0.20 H new ATOM 201 N ALA A 15 -4.305 -3.094 13.711 1.00 0.21 N ATOM 202 CA ALA A 15 -4.106 -3.246 15.137 1.00 0.26 C ATOM 203 C ALA A 15 -4.424 -4.669 15.570 1.00 0.28 C ATOM 204 O ALA A 15 -5.585 -5.077 15.585 1.00 0.35 O ATOM 205 CB ALA A 15 -4.970 -2.250 15.892 1.00 0.32 C ATOM 0 H ALA A 15 -5.214 -2.711 13.453 1.00 0.21 H new ATOM 0 HA ALA A 15 -3.060 -3.046 15.369 1.00 0.26 H new ATOM 0 HB1 ALA A 15 -4.814 -2.372 16.964 1.00 0.32 H new ATOM 0 HB2 ALA A 15 -4.698 -1.236 15.598 1.00 0.32 H new ATOM 0 HB3 ALA A 15 -6.019 -2.426 15.656 1.00 0.32 H new ATOM 211 N GLY A 16 -3.388 -5.427 15.897 1.00 0.27 N ATOM 212 CA GLY A 16 -3.577 -6.794 16.339 1.00 0.31 C ATOM 213 C GLY A 16 -3.479 -7.786 15.201 1.00 0.26 C ATOM 214 O GLY A 16 -3.595 -8.995 15.405 1.00 0.31 O ATOM 0 H GLY A 16 -2.416 -5.119 15.864 1.00 0.27 H new ATOM 0 HA2 GLY A 16 -2.829 -7.036 17.094 1.00 0.31 H new ATOM 0 HA3 GLY A 16 -4.553 -6.887 16.816 1.00 0.31 H new ATOM 218 N VAL A 17 -3.273 -7.272 14.001 1.00 0.19 N ATOM 219 CA VAL A 17 -3.166 -8.094 12.818 1.00 0.15 C ATOM 220 C VAL A 17 -1.779 -8.674 12.665 1.00 0.15 C ATOM 221 O VAL A 17 -0.778 -8.072 13.064 1.00 0.18 O ATOM 222 CB VAL A 17 -3.521 -7.284 11.561 1.00 0.12 C ATOM 223 CG1 VAL A 17 -2.473 -6.229 11.285 1.00 0.12 C ATOM 224 CG2 VAL A 17 -3.674 -8.191 10.369 1.00 0.11 C ATOM 0 H VAL A 17 -3.176 -6.272 13.824 1.00 0.19 H new ATOM 0 HA VAL A 17 -3.873 -8.916 12.934 1.00 0.15 H new ATOM 0 HB VAL A 17 -4.473 -6.784 11.742 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.747 -5.669 10.391 1.00 0.12 H new ATOM 0 HG12 VAL A 17 -2.410 -5.548 12.134 1.00 0.12 H new ATOM 0 HG13 VAL A 17 -1.506 -6.708 11.131 1.00 0.12 H new ATOM 0 HG21 VAL A 17 -3.925 -7.597 9.490 1.00 0.11 H new ATOM 0 HG22 VAL A 17 -2.738 -8.722 10.193 1.00 0.11 H new ATOM 0 HG23 VAL A 17 -4.469 -8.911 10.560 1.00 0.11 H new ATOM 234 N ALA A 18 -1.733 -9.854 12.091 1.00 0.14 N ATOM 235 CA ALA A 18 -0.480 -10.482 11.789 1.00 0.14 C ATOM 236 C ALA A 18 -0.029 -10.078 10.399 1.00 0.13 C ATOM 237 O ALA A 18 -0.063 -10.859 9.446 1.00 0.13 O ATOM 238 CB ALA A 18 -0.615 -11.982 11.916 1.00 0.16 C ATOM 0 H ALA A 18 -2.556 -10.395 11.825 1.00 0.14 H new ATOM 0 HA ALA A 18 0.279 -10.154 12.499 1.00 0.14 H new ATOM 0 HB1 ALA A 18 0.340 -12.454 11.685 1.00 0.16 H new ATOM 0 HB2 ALA A 18 -0.909 -12.236 12.934 1.00 0.16 H new ATOM 0 HB3 ALA A 18 -1.374 -12.339 11.220 1.00 0.16 H new ATOM 244 N VAL A 19 0.434 -8.851 10.315 1.00 0.12 N ATOM 245 CA VAL A 19 0.827 -8.262 9.050 1.00 0.11 C ATOM 246 C VAL A 19 2.275 -8.565 8.714 1.00 0.11 C ATOM 247 O VAL A 19 3.163 -8.456 9.564 1.00 0.12 O ATOM 248 CB VAL A 19 0.555 -6.740 9.030 1.00 0.11 C ATOM 249 CG1 VAL A 19 0.815 -6.128 10.385 1.00 0.12 C ATOM 250 CG2 VAL A 19 1.392 -6.048 7.974 1.00 0.11 C ATOM 0 H VAL A 19 0.549 -8.233 11.118 1.00 0.12 H new ATOM 0 HA VAL A 19 0.212 -8.721 8.276 1.00 0.11 H new ATOM 0 HB VAL A 19 -0.497 -6.598 8.781 1.00 0.11 H new ATOM 0 HG11 VAL A 19 0.617 -5.057 10.345 1.00 0.12 H new ATOM 0 HG12 VAL A 19 0.161 -6.591 11.125 1.00 0.12 H new ATOM 0 HG13 VAL A 19 1.855 -6.294 10.666 1.00 0.12 H new ATOM 0 HG21 VAL A 19 1.179 -4.979 7.984 1.00 0.11 H new ATOM 0 HG22 VAL A 19 2.449 -6.209 8.184 1.00 0.11 H new ATOM 0 HG23 VAL A 19 1.151 -6.457 6.993 1.00 0.11 H new ATOM 260 N GLN A 20 2.502 -8.959 7.466 1.00 0.09 N ATOM 261 CA GLN A 20 3.829 -9.296 7.023 1.00 0.10 C ATOM 262 C GLN A 20 4.566 -8.046 6.585 1.00 0.10 C ATOM 263 O GLN A 20 4.393 -7.564 5.472 1.00 0.11 O ATOM 264 CB GLN A 20 3.764 -10.304 5.881 1.00 0.11 C ATOM 265 CG GLN A 20 2.959 -11.545 6.216 1.00 0.13 C ATOM 266 CD GLN A 20 3.257 -12.709 5.299 1.00 0.24 C ATOM 267 OE1 GLN A 20 2.521 -12.803 4.209 1.00 0.66 O flip ATOM 268 NE2 GLN A 20 4.142 -13.521 5.572 1.00 0.48 N flip ATOM 0 H GLN A 20 1.779 -9.049 6.752 1.00 0.09 H new ATOM 0 HA GLN A 20 4.373 -9.748 7.853 1.00 0.10 H new ATOM 0 HB2 GLN A 20 3.327 -9.822 5.006 1.00 0.11 H new ATOM 0 HB3 GLN A 20 4.777 -10.600 5.610 1.00 0.11 H new ATOM 0 HG2 GLN A 20 3.166 -11.838 7.245 1.00 0.13 H new ATOM 0 HG3 GLN A 20 1.897 -11.308 6.160 1.00 0.13 H new ATOM 0 HE21 GLN A 20 4.689 -13.412 6.426 1.00 0.48 H new ATOM 0 HE22 GLN A 20 4.328 -14.303 4.944 1.00 0.48 H new ATOM 277 N ARG A 21 5.436 -7.564 7.453 1.00 0.10 N ATOM 278 CA ARG A 21 6.181 -6.346 7.196 1.00 0.12 C ATOM 279 C ARG A 21 7.534 -6.654 6.576 1.00 0.14 C ATOM 280 O ARG A 21 8.065 -5.870 5.789 1.00 0.16 O ATOM 281 CB ARG A 21 6.378 -5.582 8.499 1.00 0.13 C ATOM 282 CG ARG A 21 5.136 -5.565 9.376 1.00 0.16 C ATOM 283 CD ARG A 21 4.837 -4.168 9.879 1.00 0.33 C ATOM 284 NE ARG A 21 3.714 -4.139 10.816 1.00 0.40 N ATOM 285 CZ ARG A 21 2.991 -3.049 11.077 1.00 0.58 C ATOM 286 NH1 ARG A 21 3.250 -1.906 10.454 1.00 0.84 N1+ ATOM 287 NH2 ARG A 21 2.003 -3.101 11.962 1.00 0.62 N ATOM 0 H ARG A 21 5.645 -8.002 8.350 1.00 0.10 H new ATOM 0 HA ARG A 21 5.612 -5.738 6.493 1.00 0.12 H new ATOM 0 HB2 ARG A 21 7.201 -6.030 9.055 1.00 0.13 H new ATOM 0 HB3 ARG A 21 6.668 -4.556 8.271 1.00 0.13 H new ATOM 0 HG2 ARG A 21 4.283 -5.940 8.810 1.00 0.16 H new ATOM 0 HG3 ARG A 21 5.277 -6.236 10.223 1.00 0.16 H new ATOM 0 HD2 ARG A 21 5.724 -3.763 10.367 1.00 0.33 H new ATOM 0 HD3 ARG A 21 4.616 -3.520 9.031 1.00 0.33 H new ATOM 0 HE ARG A 21 3.469 -5.004 11.298 1.00 0.40 H new ATOM 0 HH11 ARG A 21 4.006 -1.857 9.771 1.00 0.84 H new ATOM 0 HH12 ARG A 21 2.693 -1.076 10.658 1.00 0.84 H new ATOM 0 HH21 ARG A 21 1.796 -3.976 12.444 1.00 0.62 H new ATOM 0 HH22 ARG A 21 1.451 -2.266 12.160 1.00 0.62 H new ATOM 301 N SER A 22 8.086 -7.807 6.927 1.00 0.18 N ATOM 302 CA SER A 22 9.375 -8.226 6.403 1.00 0.21 C ATOM 303 C SER A 22 9.240 -8.654 4.947 1.00 0.19 C ATOM 304 O SER A 22 10.225 -8.767 4.219 1.00 0.28 O ATOM 305 CB SER A 22 9.934 -9.374 7.230 1.00 0.28 C ATOM 306 OG SER A 22 10.025 -9.021 8.603 1.00 0.89 O ATOM 0 H SER A 22 7.659 -8.469 7.574 1.00 0.18 H new ATOM 0 HA SER A 22 10.062 -7.382 6.461 1.00 0.21 H new ATOM 0 HB2 SER A 22 9.296 -10.250 7.119 1.00 0.28 H new ATOM 0 HB3 SER A 22 10.920 -9.648 6.856 1.00 0.28 H new ATOM 0 HG SER A 22 10.385 -9.777 9.112 1.00 0.89 H new ATOM 312 N ALA A 23 8.002 -8.873 4.534 1.00 0.14 N ATOM 313 CA ALA A 23 7.698 -9.302 3.180 1.00 0.14 C ATOM 314 C ALA A 23 7.673 -8.113 2.227 1.00 0.13 C ATOM 315 O ALA A 23 7.533 -8.275 1.017 1.00 0.17 O ATOM 316 CB ALA A 23 6.363 -10.026 3.170 1.00 0.17 C ATOM 0 H ALA A 23 7.181 -8.758 5.128 1.00 0.14 H new ATOM 0 HA ALA A 23 8.478 -9.983 2.839 1.00 0.14 H new ATOM 0 HB1 ALA A 23 6.132 -10.349 2.155 1.00 0.17 H new ATOM 0 HB2 ALA A 23 6.416 -10.896 3.825 1.00 0.17 H new ATOM 0 HB3 ALA A 23 5.582 -9.353 3.523 1.00 0.17 H new ATOM 322 N SER A 24 7.828 -6.924 2.788 1.00 0.14 N ATOM 323 CA SER A 24 7.737 -5.688 2.028 1.00 0.15 C ATOM 324 C SER A 24 8.850 -5.570 0.993 1.00 0.15 C ATOM 325 O SER A 24 9.966 -6.054 1.192 1.00 0.26 O ATOM 326 CB SER A 24 7.783 -4.495 2.978 1.00 0.17 C ATOM 327 OG SER A 24 7.682 -3.270 2.274 1.00 0.21 O ATOM 0 H SER A 24 8.020 -6.789 3.781 1.00 0.14 H new ATOM 0 HA SER A 24 6.789 -5.699 1.490 1.00 0.15 H new ATOM 0 HB2 SER A 24 6.969 -4.570 3.699 1.00 0.17 H new ATOM 0 HB3 SER A 24 8.714 -4.515 3.545 1.00 0.17 H new ATOM 0 HG SER A 24 8.402 -2.669 2.558 1.00 0.21 H new ATOM 333 N ARG A 25 8.521 -4.921 -0.115 1.00 0.12 N ATOM 334 CA ARG A 25 9.464 -4.681 -1.187 1.00 0.12 C ATOM 335 C ARG A 25 10.168 -3.342 -1.028 1.00 0.13 C ATOM 336 O ARG A 25 11.182 -3.081 -1.678 1.00 0.18 O ATOM 337 CB ARG A 25 8.733 -4.737 -2.520 1.00 0.17 C ATOM 338 CG ARG A 25 8.379 -6.149 -2.955 1.00 0.27 C ATOM 339 CD ARG A 25 9.614 -7.030 -3.075 1.00 0.41 C ATOM 340 NE ARG A 25 10.144 -7.436 -1.773 1.00 1.10 N ATOM 341 CZ ARG A 25 11.426 -7.720 -1.542 1.00 1.31 C ATOM 342 NH1 ARG A 25 12.316 -7.664 -2.524 1.00 1.30 N1+ ATOM 343 NH2 ARG A 25 11.819 -8.057 -0.324 1.00 2.10 N ATOM 0 H ARG A 25 7.589 -4.547 -0.292 1.00 0.12 H new ATOM 0 HA ARG A 25 10.229 -5.456 -1.151 1.00 0.12 H new ATOM 0 HB2 ARG A 25 7.819 -4.146 -2.450 1.00 0.17 H new ATOM 0 HB3 ARG A 25 9.354 -4.274 -3.286 1.00 0.17 H new ATOM 0 HG2 ARG A 25 7.688 -6.588 -2.236 1.00 0.27 H new ATOM 0 HG3 ARG A 25 7.862 -6.115 -3.914 1.00 0.27 H new ATOM 0 HD2 ARG A 25 9.367 -7.919 -3.656 1.00 0.41 H new ATOM 0 HD3 ARG A 25 10.386 -6.494 -3.626 1.00 0.41 H new ATOM 0 HE ARG A 25 9.491 -7.506 -0.992 1.00 1.10 H new ATOM 0 HH11 ARG A 25 12.022 -7.402 -3.465 1.00 1.30 H new ATOM 0 HH12 ARG A 25 13.295 -7.883 -2.338 1.00 1.30 H new ATOM 0 HH21 ARG A 25 11.141 -8.099 0.437 1.00 2.10 H new ATOM 0 HH22 ARG A 25 12.800 -8.274 -0.146 1.00 2.10 H new ATOM 357 N VAL A 26 9.628 -2.497 -0.167 1.00 0.12 N ATOM 358 CA VAL A 26 10.195 -1.177 0.065 1.00 0.12 C ATOM 359 C VAL A 26 10.379 -0.964 1.567 1.00 0.13 C ATOM 360 O VAL A 26 9.664 -1.568 2.369 1.00 0.13 O ATOM 361 CB VAL A 26 9.295 -0.071 -0.538 1.00 0.12 C ATOM 362 CG1 VAL A 26 9.926 1.300 -0.367 1.00 0.11 C ATOM 363 CG2 VAL A 26 9.020 -0.347 -2.013 1.00 0.12 C ATOM 0 H VAL A 26 8.795 -2.701 0.385 1.00 0.12 H new ATOM 0 HA VAL A 26 11.164 -1.116 -0.430 1.00 0.12 H new ATOM 0 HB VAL A 26 8.348 -0.079 0.001 1.00 0.12 H new ATOM 0 HG11 VAL A 26 9.273 2.058 -0.799 1.00 0.11 H new ATOM 0 HG12 VAL A 26 10.068 1.506 0.694 1.00 0.11 H new ATOM 0 HG13 VAL A 26 10.891 1.322 -0.873 1.00 0.11 H new ATOM 0 HG21 VAL A 26 8.386 0.441 -2.419 1.00 0.12 H new ATOM 0 HG22 VAL A 26 9.962 -0.372 -2.560 1.00 0.12 H new ATOM 0 HG23 VAL A 26 8.515 -1.308 -2.115 1.00 0.12 H new ATOM 373 N ALA A 27 11.344 -0.135 1.950 1.00 0.13 N ATOM 374 CA ALA A 27 11.699 0.016 3.355 1.00 0.13 C ATOM 375 C ALA A 27 10.647 0.765 4.158 1.00 0.12 C ATOM 376 O ALA A 27 10.170 1.818 3.772 1.00 0.11 O ATOM 377 CB ALA A 27 13.035 0.704 3.513 1.00 0.14 C ATOM 0 H ALA A 27 11.892 0.440 1.310 1.00 0.13 H new ATOM 0 HA ALA A 27 11.761 -0.997 3.753 1.00 0.13 H new ATOM 0 HB1 ALA A 27 13.271 0.801 4.573 1.00 0.14 H new ATOM 0 HB2 ALA A 27 13.809 0.114 3.022 1.00 0.14 H new ATOM 0 HB3 ALA A 27 12.991 1.694 3.059 1.00 0.14 H new ATOM 383 N TYR A 28 10.357 0.195 5.300 1.00 0.13 N ATOM 384 CA TYR A 28 9.429 0.691 6.294 1.00 0.13 C ATOM 385 C TYR A 28 9.915 1.939 7.009 1.00 0.13 C ATOM 386 O TYR A 28 9.848 1.997 8.238 1.00 0.16 O ATOM 387 CB TYR A 28 9.097 -0.402 7.288 1.00 0.15 C ATOM 388 CG TYR A 28 7.679 -0.889 7.160 1.00 0.12 C ATOM 389 CD1 TYR A 28 6.643 -0.212 7.787 1.00 0.13 C ATOM 390 CD2 TYR A 28 7.375 -2.014 6.412 1.00 0.14 C ATOM 391 CE1 TYR A 28 5.338 -0.644 7.675 1.00 0.14 C ATOM 392 CE2 TYR A 28 6.072 -2.455 6.293 1.00 0.14 C ATOM 393 CZ TYR A 28 5.058 -1.765 6.929 1.00 0.14 C ATOM 394 OH TYR A 28 3.758 -2.202 6.819 1.00 0.16 O ATOM 0 H TYR A 28 10.789 -0.685 5.582 1.00 0.13 H new ATOM 0 HA TYR A 28 8.527 0.986 5.758 1.00 0.13 H new ATOM 0 HB2 TYR A 28 9.779 -1.239 7.143 1.00 0.15 H new ATOM 0 HB3 TYR A 28 9.260 -0.030 8.300 1.00 0.15 H new ATOM 0 HD1 TYR A 28 6.862 0.668 8.373 1.00 0.13 H new ATOM 0 HD2 TYR A 28 8.168 -2.554 5.915 1.00 0.14 H new ATOM 0 HE1 TYR A 28 4.542 -0.106 8.169 1.00 0.14 H new ATOM 0 HE2 TYR A 28 5.847 -3.334 5.707 1.00 0.14 H new ATOM 0 HH TYR A 28 3.288 -1.664 6.148 1.00 0.16 H new ATOM 404 N ASN A 29 10.435 2.917 6.275 1.00 0.13 N ATOM 405 CA ASN A 29 11.300 3.938 6.870 1.00 0.15 C ATOM 406 C ASN A 29 10.503 4.835 7.812 1.00 0.15 C ATOM 407 O ASN A 29 9.860 5.798 7.421 1.00 0.14 O ATOM 408 CB ASN A 29 11.976 4.815 5.779 1.00 0.15 C ATOM 409 CG ASN A 29 11.040 5.439 4.746 1.00 0.13 C ATOM 410 OD1 ASN A 29 11.490 5.931 3.716 1.00 0.13 O ATOM 411 ND2 ASN A 29 9.748 5.433 4.999 1.00 0.12 N ATOM 0 H ASN A 29 10.276 3.027 5.273 1.00 0.13 H new ATOM 0 HA ASN A 29 12.076 3.417 7.431 1.00 0.15 H new ATOM 0 HB2 ASN A 29 12.525 5.616 6.274 1.00 0.15 H new ATOM 0 HB3 ASN A 29 12.710 4.204 5.253 1.00 0.15 H new ATOM 0 HD21 ASN A 29 9.096 5.844 4.331 1.00 0.12 H new ATOM 0 HD22 ASN A 29 9.399 5.018 5.863 1.00 0.12 H new ATOM 418 N GLN A 30 10.578 4.506 9.089 1.00 0.18 N ATOM 419 CA GLN A 30 9.744 5.138 10.092 1.00 0.19 C ATOM 420 C GLN A 30 10.012 6.639 10.155 1.00 0.21 C ATOM 421 O GLN A 30 9.208 7.402 10.671 1.00 0.24 O ATOM 422 CB GLN A 30 9.965 4.491 11.455 1.00 0.23 C ATOM 423 CG GLN A 30 8.867 4.819 12.436 1.00 0.26 C ATOM 424 CD GLN A 30 7.520 4.315 11.992 1.00 0.26 C ATOM 425 OE1 GLN A 30 7.401 3.282 11.335 1.00 0.36 O ATOM 426 NE2 GLN A 30 6.502 5.070 12.330 1.00 0.29 N ATOM 0 H GLN A 30 11.214 3.799 9.457 1.00 0.18 H new ATOM 0 HA GLN A 30 8.701 4.995 9.809 1.00 0.19 H new ATOM 0 HB2 GLN A 30 10.028 3.410 11.334 1.00 0.23 H new ATOM 0 HB3 GLN A 30 10.921 4.823 11.860 1.00 0.23 H new ATOM 0 HG2 GLN A 30 9.111 4.385 13.406 1.00 0.26 H new ATOM 0 HG3 GLN A 30 8.819 5.899 12.573 1.00 0.26 H new ATOM 0 HE21 GLN A 30 6.655 5.918 12.876 1.00 0.29 H new ATOM 0 HE22 GLN A 30 5.557 4.809 12.047 1.00 0.29 H new ATOM 435 N SER A 31 11.129 7.049 9.588 1.00 0.20 N ATOM 436 CA SER A 31 11.488 8.451 9.519 1.00 0.21 C ATOM 437 C SER A 31 10.661 9.158 8.444 1.00 0.21 C ATOM 438 O SER A 31 10.226 10.291 8.637 1.00 0.30 O ATOM 439 CB SER A 31 12.984 8.590 9.228 1.00 0.23 C ATOM 440 OG SER A 31 13.403 9.941 9.302 1.00 1.11 O ATOM 0 H SER A 31 11.812 6.421 9.163 1.00 0.20 H new ATOM 0 HA SER A 31 11.273 8.922 10.478 1.00 0.21 H new ATOM 0 HB2 SER A 31 13.552 7.992 9.941 1.00 0.23 H new ATOM 0 HB3 SER A 31 13.201 8.194 8.236 1.00 0.23 H new ATOM 0 HG SER A 31 14.363 9.997 9.113 1.00 1.11 H new ATOM 446 N ALA A 32 10.426 8.481 7.320 1.00 0.15 N ATOM 447 CA ALA A 32 9.576 9.038 6.271 1.00 0.14 C ATOM 448 C ALA A 32 8.133 8.792 6.643 1.00 0.14 C ATOM 449 O ALA A 32 7.244 9.570 6.312 1.00 0.15 O ATOM 450 CB ALA A 32 9.880 8.427 4.903 1.00 0.12 C ATOM 0 H ALA A 32 10.807 7.558 7.115 1.00 0.15 H new ATOM 0 HA ALA A 32 9.774 10.107 6.192 1.00 0.14 H new ATOM 0 HB1 ALA A 32 9.225 8.870 4.153 1.00 0.12 H new ATOM 0 HB2 ALA A 32 10.919 8.624 4.639 1.00 0.12 H new ATOM 0 HB3 ALA A 32 9.713 7.350 4.940 1.00 0.12 H new ATOM 456 N ILE A 33 7.930 7.703 7.368 1.00 0.14 N ATOM 457 CA ILE A 33 6.615 7.319 7.842 1.00 0.16 C ATOM 458 C ILE A 33 6.100 8.341 8.842 1.00 0.19 C ATOM 459 O ILE A 33 4.937 8.735 8.814 1.00 0.22 O ATOM 460 CB ILE A 33 6.653 5.939 8.512 1.00 0.16 C ATOM 461 CG1 ILE A 33 6.968 4.847 7.487 1.00 0.14 C ATOM 462 CG2 ILE A 33 5.348 5.660 9.220 1.00 0.20 C ATOM 463 CD1 ILE A 33 7.122 3.467 8.095 1.00 0.15 C ATOM 0 H ILE A 33 8.674 7.062 7.643 1.00 0.14 H new ATOM 0 HA ILE A 33 5.949 7.276 6.980 1.00 0.16 H new ATOM 0 HB ILE A 33 7.450 5.938 9.256 1.00 0.16 H new ATOM 0 HG12 ILE A 33 6.172 4.820 6.742 1.00 0.14 H new ATOM 0 HG13 ILE A 33 7.887 5.108 6.962 1.00 0.14 H new ATOM 0 HG21 ILE A 33 5.392 4.677 9.690 1.00 0.20 H new ATOM 0 HG22 ILE A 33 5.178 6.420 9.983 1.00 0.20 H new ATOM 0 HG23 ILE A 33 4.531 5.681 8.499 1.00 0.20 H new ATOM 0 HD11 ILE A 33 7.344 2.746 7.309 1.00 0.15 H new ATOM 0 HD12 ILE A 33 7.937 3.477 8.819 1.00 0.15 H new ATOM 0 HD13 ILE A 33 6.196 3.184 8.595 1.00 0.15 H new ATOM 475 N ASP A 34 6.995 8.781 9.711 1.00 0.20 N ATOM 476 CA ASP A 34 6.664 9.756 10.727 1.00 0.24 C ATOM 477 C ASP A 34 6.604 11.131 10.096 1.00 0.25 C ATOM 478 O ASP A 34 6.029 12.074 10.637 1.00 0.29 O ATOM 479 CB ASP A 34 7.704 9.715 11.849 1.00 0.26 C ATOM 480 CG ASP A 34 7.536 10.835 12.857 1.00 0.78 C ATOM 481 OD1 ASP A 34 6.620 10.747 13.703 1.00 1.54 O ATOM 482 OD2 ASP A 34 8.322 11.805 12.817 1.00 1.41 O1- ATOM 0 H ASP A 34 7.967 8.471 9.729 1.00 0.20 H new ATOM 0 HA ASP A 34 5.691 9.524 11.159 1.00 0.24 H new ATOM 0 HB2 ASP A 34 7.636 8.757 12.365 1.00 0.26 H new ATOM 0 HB3 ASP A 34 8.702 9.773 11.414 1.00 0.26 H new ATOM 487 N ASP A 35 7.176 11.203 8.910 1.00 0.22 N ATOM 488 CA ASP A 35 7.152 12.398 8.096 1.00 0.24 C ATOM 489 C ASP A 35 5.858 12.410 7.285 1.00 0.24 C ATOM 490 O ASP A 35 5.758 13.049 6.243 1.00 0.25 O ATOM 491 CB ASP A 35 8.382 12.472 7.194 1.00 0.23 C ATOM 492 CG ASP A 35 8.700 13.892 6.750 1.00 0.29 C ATOM 493 OD1 ASP A 35 8.066 14.373 5.784 1.00 0.49 O ATOM 494 OD2 ASP A 35 9.583 14.533 7.351 1.00 0.48 O1- ATOM 0 H ASP A 35 7.675 10.424 8.482 1.00 0.22 H new ATOM 0 HA ASP A 35 7.181 13.280 8.736 1.00 0.24 H new ATOM 0 HB2 ASP A 35 9.241 12.060 7.724 1.00 0.23 H new ATOM 0 HB3 ASP A 35 8.221 11.848 6.315 1.00 0.23 H new ATOM 499 N SER A 36 4.915 11.587 7.743 1.00 0.25 N ATOM 500 CA SER A 36 3.590 11.402 7.145 1.00 0.27 C ATOM 501 C SER A 36 2.943 12.693 6.634 1.00 0.30 C ATOM 502 O SER A 36 2.031 12.646 5.810 1.00 0.37 O ATOM 503 CB SER A 36 2.676 10.751 8.182 1.00 0.35 C ATOM 504 OG SER A 36 2.587 11.549 9.352 1.00 1.47 O ATOM 0 H SER A 36 5.057 11.009 8.571 1.00 0.25 H new ATOM 0 HA SER A 36 3.726 10.770 6.268 1.00 0.27 H new ATOM 0 HB2 SER A 36 1.682 10.609 7.758 1.00 0.35 H new ATOM 0 HB3 SER A 36 3.057 9.763 8.439 1.00 0.35 H new ATOM 0 HG SER A 36 1.996 11.113 10.001 1.00 1.47 H new ATOM 510 N ASN A 37 3.403 13.840 7.115 1.00 0.29 N ATOM 511 CA ASN A 37 2.893 15.116 6.643 1.00 0.31 C ATOM 512 C ASN A 37 3.278 15.382 5.186 1.00 0.30 C ATOM 513 O ASN A 37 2.807 16.342 4.580 1.00 0.34 O ATOM 514 CB ASN A 37 3.365 16.273 7.541 1.00 0.34 C ATOM 515 CG ASN A 37 4.878 16.323 7.770 1.00 0.49 C ATOM 516 OD1 ASN A 37 5.674 15.882 6.803 1.00 0.97 O flip ATOM 517 ND2 ASN A 37 5.330 16.761 8.829 1.00 0.30 N flip ATOM 0 H ASN A 37 4.127 13.911 7.830 1.00 0.29 H new ATOM 0 HA ASN A 37 1.806 15.059 6.695 1.00 0.31 H new ATOM 0 HB2 ASN A 37 3.047 17.215 7.095 1.00 0.34 H new ATOM 0 HB3 ASN A 37 2.867 16.193 8.507 1.00 0.34 H new ATOM 0 HD21 ASN A 37 4.696 17.094 9.555 1.00 0.30 H new ATOM 0 HD22 ASN A 37 6.338 16.791 8.979 1.00 0.30 H new ATOM 524 N ASN A 38 4.152 14.544 4.640 1.00 0.26 N ATOM 525 CA ASN A 38 4.563 14.643 3.261 1.00 0.28 C ATOM 526 C ASN A 38 3.398 14.457 2.320 1.00 0.36 C ATOM 527 O ASN A 38 2.508 13.643 2.565 1.00 0.82 O ATOM 528 CB ASN A 38 5.582 13.561 2.966 1.00 0.21 C ATOM 529 CG ASN A 38 6.832 14.123 2.362 1.00 0.23 C ATOM 530 OD1 ASN A 38 6.938 14.301 1.152 1.00 0.25 O ATOM 531 ND2 ASN A 38 7.784 14.400 3.211 1.00 0.25 N ATOM 0 H ASN A 38 4.592 13.778 5.150 1.00 0.26 H new ATOM 0 HA ASN A 38 4.985 15.637 3.110 1.00 0.28 H new ATOM 0 HB2 ASN A 38 5.829 13.034 3.887 1.00 0.21 H new ATOM 0 HB3 ASN A 38 5.147 12.828 2.286 1.00 0.21 H new ATOM 0 HD21 ASN A 38 8.668 14.784 2.878 1.00 0.25 H new ATOM 0 HD22 ASN A 38 7.643 14.233 4.207 1.00 0.25 H new ATOM 538 N SER A 39 3.421 15.190 1.224 1.00 0.29 N ATOM 539 CA SER A 39 2.506 14.920 0.144 1.00 0.31 C ATOM 540 C SER A 39 2.986 13.689 -0.599 1.00 0.21 C ATOM 541 O SER A 39 2.326 13.220 -1.524 1.00 0.21 O ATOM 542 CB SER A 39 2.419 16.093 -0.814 1.00 0.43 C ATOM 543 OG SER A 39 2.488 17.327 -0.120 1.00 1.39 O ATOM 0 H SER A 39 4.059 15.969 1.063 1.00 0.29 H new ATOM 0 HA SER A 39 1.511 14.755 0.558 1.00 0.31 H new ATOM 0 HB2 SER A 39 3.231 16.035 -1.539 1.00 0.43 H new ATOM 0 HB3 SER A 39 1.486 16.040 -1.375 1.00 0.43 H new ATOM 0 HG SER A 39 2.431 18.066 -0.761 1.00 1.39 H new ATOM 549 N ALA A 40 4.147 13.156 -0.180 1.00 0.15 N ATOM 550 CA ALA A 40 4.632 11.906 -0.716 1.00 0.12 C ATOM 551 C ALA A 40 3.664 10.808 -0.342 1.00 0.11 C ATOM 552 O ALA A 40 3.631 9.759 -0.950 1.00 0.14 O ATOM 553 CB ALA A 40 6.024 11.595 -0.193 1.00 0.10 C ATOM 0 H ALA A 40 4.752 13.580 0.524 1.00 0.15 H new ATOM 0 HA ALA A 40 4.700 11.980 -1.801 1.00 0.12 H new ATOM 0 HB1 ALA A 40 6.367 10.649 -0.611 1.00 0.10 H new ATOM 0 HB2 ALA A 40 6.709 12.391 -0.486 1.00 0.10 H new ATOM 0 HB3 ALA A 40 5.996 11.522 0.894 1.00 0.10 H new ATOM 559 N TRP A 41 2.858 11.086 0.663 1.00 0.10 N ATOM 560 CA TRP A 41 1.898 10.131 1.165 1.00 0.10 C ATOM 561 C TRP A 41 0.521 10.333 0.545 1.00 0.12 C ATOM 562 O TRP A 41 -0.360 9.485 0.683 1.00 0.15 O ATOM 563 CB TRP A 41 1.808 10.265 2.671 1.00 0.10 C ATOM 564 CG TRP A 41 3.087 9.938 3.370 1.00 0.10 C ATOM 565 CD1 TRP A 41 3.897 10.809 4.030 1.00 0.12 C ATOM 566 CD2 TRP A 41 3.718 8.655 3.466 1.00 0.09 C ATOM 567 NE1 TRP A 41 4.968 10.146 4.562 1.00 0.12 N ATOM 568 CE2 TRP A 41 4.882 8.823 4.228 1.00 0.10 C ATOM 569 CE3 TRP A 41 3.404 7.381 2.996 1.00 0.11 C ATOM 570 CZ2 TRP A 41 5.733 7.766 4.529 1.00 0.10 C ATOM 571 CZ3 TRP A 41 4.247 6.336 3.295 1.00 0.13 C ATOM 572 CH2 TRP A 41 5.399 6.532 4.062 1.00 0.12 C ATOM 0 H TRP A 41 2.852 11.981 1.153 1.00 0.10 H new ATOM 0 HA TRP A 41 2.236 9.131 0.893 1.00 0.10 H new ATOM 0 HB2 TRP A 41 1.515 11.285 2.921 1.00 0.10 H new ATOM 0 HB3 TRP A 41 1.021 9.608 3.041 1.00 0.10 H new ATOM 0 HD1 TRP A 41 3.720 11.871 4.121 1.00 0.12 H new ATOM 0 HE1 TRP A 41 5.711 10.570 5.118 1.00 0.12 H new ATOM 0 HE3 TRP A 41 2.514 7.217 2.407 1.00 0.11 H new ATOM 0 HZ2 TRP A 41 6.628 7.919 5.113 1.00 0.10 H new ATOM 0 HZ3 TRP A 41 4.015 5.346 2.931 1.00 0.13 H new ATOM 0 HH2 TRP A 41 6.035 5.689 4.288 1.00 0.12 H new ATOM 583 N ASP A 42 0.335 11.456 -0.128 1.00 0.11 N ATOM 584 CA ASP A 42 -0.936 11.748 -0.769 1.00 0.14 C ATOM 585 C ASP A 42 -0.940 11.181 -2.174 1.00 0.15 C ATOM 586 O ASP A 42 -0.301 11.715 -3.083 1.00 0.21 O ATOM 587 CB ASP A 42 -1.195 13.248 -0.799 1.00 0.21 C ATOM 588 CG ASP A 42 -2.501 13.590 -1.485 1.00 0.33 C ATOM 589 OD1 ASP A 42 -3.531 12.951 -1.177 1.00 0.50 O ATOM 590 OD2 ASP A 42 -2.510 14.518 -2.320 1.00 0.41 O1- ATOM 0 H ASP A 42 1.046 12.178 -0.245 1.00 0.11 H new ATOM 0 HA ASP A 42 -1.735 11.281 -0.193 1.00 0.14 H new ATOM 0 HB2 ASP A 42 -1.211 13.633 0.221 1.00 0.21 H new ATOM 0 HB3 ASP A 42 -0.374 13.746 -1.315 1.00 0.21 H new ATOM 595 N PHE A 43 -1.667 10.080 -2.318 1.00 0.11 N ATOM 596 CA PHE A 43 -1.713 9.318 -3.561 1.00 0.10 C ATOM 597 C PHE A 43 -2.161 10.188 -4.741 1.00 0.12 C ATOM 598 O PHE A 43 -1.397 10.447 -5.667 1.00 0.14 O ATOM 599 CB PHE A 43 -2.742 8.189 -3.461 1.00 0.09 C ATOM 600 CG PHE A 43 -2.488 7.103 -2.471 1.00 0.08 C ATOM 601 CD1 PHE A 43 -2.265 7.366 -1.136 1.00 0.10 C ATOM 602 CD2 PHE A 43 -2.491 5.793 -2.901 1.00 0.07 C ATOM 603 CE1 PHE A 43 -2.038 6.336 -0.251 1.00 0.11 C ATOM 604 CE2 PHE A 43 -2.266 4.766 -2.027 1.00 0.09 C ATOM 605 CZ PHE A 43 -2.037 5.033 -0.702 1.00 0.06 C ATOM 0 H PHE A 43 -2.244 9.688 -1.573 1.00 0.11 H new ATOM 0 HA PHE A 43 -0.704 8.937 -3.721 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -3.708 8.636 -3.227 1.00 0.09 H new ATOM 0 HB3 PHE A 43 -2.833 7.730 -4.446 1.00 0.09 H new ATOM 0 HD1 PHE A 43 -2.268 8.386 -0.782 1.00 0.10 H new ATOM 0 HD2 PHE A 43 -2.674 5.575 -3.943 1.00 0.07 H new ATOM 0 HE1 PHE A 43 -1.861 6.548 0.793 1.00 0.11 H new ATOM 0 HE2 PHE A 43 -2.269 3.745 -2.380 1.00 0.09 H new ATOM 0 HZ PHE A 43 -1.856 4.223 -0.011 1.00 0.06 H new ATOM 615 N ALA A 44 -3.411 10.659 -4.649 1.00 0.13 N ATOM 616 CA ALA A 44 -4.060 11.486 -5.678 1.00 0.16 C ATOM 617 C ALA A 44 -5.567 11.540 -5.439 1.00 0.18 C ATOM 618 O ALA A 44 -6.048 12.260 -4.562 1.00 0.24 O ATOM 619 CB ALA A 44 -3.816 10.951 -7.087 1.00 0.16 C ATOM 0 H ALA A 44 -4.011 10.474 -3.845 1.00 0.13 H new ATOM 0 HA ALA A 44 -3.622 12.481 -5.602 1.00 0.16 H new ATOM 0 HB1 ALA A 44 -4.315 11.594 -7.812 1.00 0.16 H new ATOM 0 HB2 ALA A 44 -2.745 10.937 -7.290 1.00 0.16 H new ATOM 0 HB3 ALA A 44 -4.214 9.939 -7.166 1.00 0.16 H new ATOM 625 N ASP A 45 -6.302 10.750 -6.223 1.00 0.17 N ATOM 626 CA ASP A 45 -7.746 10.654 -6.113 1.00 0.20 C ATOM 627 C ASP A 45 -8.212 9.321 -6.667 1.00 0.16 C ATOM 628 O ASP A 45 -7.983 9.021 -7.837 1.00 0.19 O ATOM 629 CB ASP A 45 -8.381 11.754 -6.915 1.00 0.26 C ATOM 630 CG ASP A 45 -9.874 11.873 -6.702 1.00 1.04 C ATOM 631 OD1 ASP A 45 -10.635 11.528 -7.631 1.00 1.82 O ATOM 632 OD2 ASP A 45 -10.297 12.284 -5.602 1.00 1.18 O1- ATOM 0 H ASP A 45 -5.904 10.159 -6.953 1.00 0.17 H new ATOM 0 HA ASP A 45 -8.031 10.740 -5.064 1.00 0.20 H new ATOM 0 HB2 ASP A 45 -7.909 12.701 -6.655 1.00 0.26 H new ATOM 0 HB3 ASP A 45 -8.186 11.580 -7.973 1.00 0.26 H new ATOM 637 N GLY A 46 -8.855 8.534 -5.825 1.00 0.17 N ATOM 638 CA GLY A 46 -9.282 7.184 -6.199 1.00 0.16 C ATOM 639 C GLY A 46 -8.156 6.335 -6.766 1.00 0.12 C ATOM 640 O GLY A 46 -8.392 5.309 -7.399 1.00 0.16 O ATOM 0 H GLY A 46 -9.098 8.801 -4.871 1.00 0.17 H new ATOM 0 HA2 GLY A 46 -9.698 6.686 -5.323 1.00 0.16 H new ATOM 0 HA3 GLY A 46 -10.082 7.254 -6.936 1.00 0.16 H new ATOM 644 N VAL A 47 -6.935 6.765 -6.504 1.00 0.08 N ATOM 645 CA VAL A 47 -5.736 6.120 -6.996 1.00 0.06 C ATOM 646 C VAL A 47 -5.507 4.841 -6.231 1.00 0.05 C ATOM 647 O VAL A 47 -5.193 3.802 -6.799 1.00 0.06 O ATOM 648 CB VAL A 47 -4.544 7.076 -6.830 1.00 0.08 C ATOM 649 CG1 VAL A 47 -4.764 7.950 -5.625 1.00 0.11 C ATOM 650 CG2 VAL A 47 -3.232 6.317 -6.737 1.00 0.09 C ATOM 0 H VAL A 47 -6.748 7.589 -5.932 1.00 0.08 H new ATOM 0 HA VAL A 47 -5.846 5.877 -8.053 1.00 0.06 H new ATOM 0 HB VAL A 47 -4.476 7.710 -7.714 1.00 0.08 H new ATOM 0 HG11 VAL A 47 -3.918 8.628 -5.508 1.00 0.11 H new ATOM 0 HG12 VAL A 47 -5.678 8.529 -5.758 1.00 0.11 H new ATOM 0 HG13 VAL A 47 -4.856 7.327 -4.735 1.00 0.11 H new ATOM 0 HG21 VAL A 47 -2.410 7.024 -6.620 1.00 0.09 H new ATOM 0 HG22 VAL A 47 -3.259 5.647 -5.878 1.00 0.09 H new ATOM 0 HG23 VAL A 47 -3.083 5.735 -7.646 1.00 0.09 H new ATOM 660 N LEU A 48 -5.722 4.926 -4.939 1.00 0.06 N ATOM 661 CA LEU A 48 -5.607 3.792 -4.067 1.00 0.06 C ATOM 662 C LEU A 48 -6.760 2.861 -4.295 1.00 0.08 C ATOM 663 O LEU A 48 -6.608 1.652 -4.349 1.00 0.09 O ATOM 664 CB LEU A 48 -5.606 4.301 -2.649 1.00 0.08 C ATOM 665 CG LEU A 48 -5.623 3.238 -1.569 1.00 0.08 C ATOM 666 CD1 LEU A 48 -4.566 2.184 -1.850 1.00 0.08 C ATOM 667 CD2 LEU A 48 -5.415 3.882 -0.214 1.00 0.10 C ATOM 0 H LEU A 48 -5.983 5.791 -4.466 1.00 0.06 H new ATOM 0 HA LEU A 48 -4.687 3.242 -4.264 1.00 0.06 H new ATOM 0 HB2 LEU A 48 -4.723 4.923 -2.507 1.00 0.08 H new ATOM 0 HB3 LEU A 48 -6.475 4.945 -2.513 1.00 0.08 H new ATOM 0 HG LEU A 48 -6.593 2.741 -1.566 1.00 0.08 H new ATOM 0 HD11 LEU A 48 -4.590 1.427 -1.066 1.00 0.08 H new ATOM 0 HD12 LEU A 48 -4.767 1.715 -2.813 1.00 0.08 H new ATOM 0 HD13 LEU A 48 -3.582 2.652 -1.872 1.00 0.08 H new ATOM 0 HD21 LEU A 48 -5.428 3.114 0.560 1.00 0.10 H new ATOM 0 HD22 LEU A 48 -4.454 4.396 -0.199 1.00 0.10 H new ATOM 0 HD23 LEU A 48 -6.213 4.600 -0.026 1.00 0.10 H new ATOM 679 N GLU A 49 -7.893 3.470 -4.501 1.00 0.09 N ATOM 680 CA GLU A 49 -9.138 2.773 -4.726 1.00 0.12 C ATOM 681 C GLU A 49 -9.079 2.002 -6.029 1.00 0.12 C ATOM 682 O GLU A 49 -9.883 1.120 -6.289 1.00 0.15 O ATOM 683 CB GLU A 49 -10.219 3.819 -4.764 1.00 0.17 C ATOM 684 CG GLU A 49 -10.471 4.431 -3.402 1.00 0.30 C ATOM 685 CD GLU A 49 -11.797 4.006 -2.824 1.00 0.99 C ATOM 686 OE1 GLU A 49 -12.826 4.590 -3.202 1.00 1.32 O ATOM 687 OE2 GLU A 49 -11.812 3.070 -2.003 1.00 1.49 O1- ATOM 0 H GLU A 49 -7.984 4.486 -4.519 1.00 0.09 H new ATOM 0 HA GLU A 49 -9.336 2.049 -3.936 1.00 0.12 H new ATOM 0 HB2 GLU A 49 -9.938 4.604 -5.467 1.00 0.17 H new ATOM 0 HB3 GLU A 49 -11.141 3.373 -5.136 1.00 0.17 H new ATOM 0 HG2 GLU A 49 -9.670 4.141 -2.722 1.00 0.30 H new ATOM 0 HG3 GLU A 49 -10.443 5.518 -3.483 1.00 0.30 H new ATOM 694 N GLN A 50 -8.095 2.353 -6.822 1.00 0.10 N ATOM 695 CA GLN A 50 -7.818 1.706 -8.074 1.00 0.11 C ATOM 696 C GLN A 50 -7.039 0.451 -7.849 1.00 0.10 C ATOM 697 O GLN A 50 -7.380 -0.625 -8.328 1.00 0.12 O ATOM 698 CB GLN A 50 -6.985 2.629 -8.917 1.00 0.11 C ATOM 699 CG GLN A 50 -7.797 3.342 -9.968 1.00 0.14 C ATOM 700 CD GLN A 50 -7.923 2.525 -11.244 1.00 0.21 C ATOM 701 OE1 GLN A 50 -7.773 1.204 -11.140 1.00 0.37 O flip ATOM 702 NE2 GLN A 50 -8.107 3.077 -12.328 1.00 0.20 N flip ATOM 0 H GLN A 50 -7.452 3.115 -6.606 1.00 0.10 H new ATOM 0 HA GLN A 50 -8.760 1.466 -8.566 1.00 0.11 H new ATOM 0 HB2 GLN A 50 -6.501 3.365 -8.275 1.00 0.11 H new ATOM 0 HB3 GLN A 50 -6.192 2.058 -9.400 1.00 0.11 H new ATOM 0 HG2 GLN A 50 -8.791 3.555 -9.575 1.00 0.14 H new ATOM 0 HG3 GLN A 50 -7.332 4.301 -10.196 1.00 0.14 H new ATOM 0 HE21 GLN A 50 -8.218 4.090 -12.372 1.00 0.20 H new ATOM 0 HE22 GLN A 50 -8.149 2.522 -13.183 1.00 0.20 H new ATOM 711 N ILE A 51 -5.981 0.631 -7.112 1.00 0.09 N ATOM 712 CA ILE A 51 -5.065 -0.425 -6.794 1.00 0.09 C ATOM 713 C ILE A 51 -5.756 -1.428 -5.900 1.00 0.11 C ATOM 714 O ILE A 51 -5.482 -2.623 -5.926 1.00 0.16 O ATOM 715 CB ILE A 51 -3.861 0.163 -6.071 1.00 0.08 C ATOM 716 CG1 ILE A 51 -3.409 1.428 -6.785 1.00 0.06 C ATOM 717 CG2 ILE A 51 -2.742 -0.852 -6.015 1.00 0.09 C ATOM 718 CD1 ILE A 51 -2.466 2.255 -5.963 1.00 0.06 C ATOM 0 H ILE A 51 -5.727 1.532 -6.708 1.00 0.09 H new ATOM 0 HA ILE A 51 -4.735 -0.921 -7.707 1.00 0.09 H new ATOM 0 HB ILE A 51 -4.139 0.418 -5.048 1.00 0.08 H new ATOM 0 HG12 ILE A 51 -2.924 1.157 -7.723 1.00 0.06 H new ATOM 0 HG13 ILE A 51 -4.283 2.028 -7.040 1.00 0.06 H new ATOM 0 HG21 ILE A 51 -1.886 -0.421 -5.496 1.00 0.09 H new ATOM 0 HG22 ILE A 51 -3.082 -1.739 -5.480 1.00 0.09 H new ATOM 0 HG23 ILE A 51 -2.451 -1.128 -7.028 1.00 0.09 H new ATOM 0 HD11 ILE A 51 -2.178 3.144 -6.524 1.00 0.06 H new ATOM 0 HD12 ILE A 51 -2.957 2.554 -5.037 1.00 0.06 H new ATOM 0 HD13 ILE A 51 -1.577 1.669 -5.730 1.00 0.06 H new ATOM 730 N LEU A 52 -6.666 -0.900 -5.111 1.00 0.09 N ATOM 731 CA LEU A 52 -7.516 -1.692 -4.251 1.00 0.10 C ATOM 732 C LEU A 52 -8.579 -2.401 -5.048 1.00 0.11 C ATOM 733 O LEU A 52 -8.871 -3.575 -4.813 1.00 0.13 O ATOM 734 CB LEU A 52 -8.153 -0.777 -3.234 1.00 0.10 C ATOM 735 CG LEU A 52 -7.196 -0.292 -2.178 1.00 0.09 C ATOM 736 CD1 LEU A 52 -7.825 0.837 -1.404 1.00 0.10 C ATOM 737 CD2 LEU A 52 -6.838 -1.443 -1.277 1.00 0.10 C ATOM 0 H LEU A 52 -6.838 0.103 -5.048 1.00 0.09 H new ATOM 0 HA LEU A 52 -6.916 -2.452 -3.750 1.00 0.10 H new ATOM 0 HB2 LEU A 52 -8.580 0.084 -3.749 1.00 0.10 H new ATOM 0 HB3 LEU A 52 -8.978 -1.301 -2.752 1.00 0.10 H new ATOM 0 HG LEU A 52 -6.283 0.086 -2.638 1.00 0.09 H new ATOM 0 HD11 LEU A 52 -7.130 1.186 -0.640 1.00 0.10 H new ATOM 0 HD12 LEU A 52 -8.060 1.657 -2.083 1.00 0.10 H new ATOM 0 HD13 LEU A 52 -8.741 0.486 -0.928 1.00 0.10 H new ATOM 0 HD21 LEU A 52 -6.145 -1.101 -0.508 1.00 0.10 H new ATOM 0 HD22 LEU A 52 -7.741 -1.830 -0.805 1.00 0.10 H new ATOM 0 HD23 LEU A 52 -6.369 -2.232 -1.864 1.00 0.10 H new ATOM 749 N ALA A 53 -9.144 -1.679 -5.998 1.00 0.12 N ATOM 750 CA ALA A 53 -10.106 -2.254 -6.920 1.00 0.14 C ATOM 751 C ALA A 53 -9.436 -3.403 -7.648 1.00 0.15 C ATOM 752 O ALA A 53 -10.018 -4.464 -7.876 1.00 0.18 O ATOM 753 CB ALA A 53 -10.591 -1.200 -7.902 1.00 0.16 C ATOM 0 H ALA A 53 -8.952 -0.689 -6.152 1.00 0.12 H new ATOM 0 HA ALA A 53 -10.976 -2.622 -6.376 1.00 0.14 H new ATOM 0 HB1 ALA A 53 -11.312 -1.646 -8.587 1.00 0.16 H new ATOM 0 HB2 ALA A 53 -11.065 -0.385 -7.356 1.00 0.16 H new ATOM 0 HB3 ALA A 53 -9.744 -0.813 -8.468 1.00 0.16 H new ATOM 759 N THR A 54 -8.176 -3.168 -7.961 1.00 0.15 N ATOM 760 CA THR A 54 -7.318 -4.148 -8.551 1.00 0.16 C ATOM 761 C THR A 54 -7.042 -5.291 -7.574 1.00 0.15 C ATOM 762 O THR A 54 -7.275 -6.439 -7.907 1.00 0.17 O ATOM 763 CB THR A 54 -6.016 -3.468 -9.008 1.00 0.18 C ATOM 764 OG1 THR A 54 -6.212 -2.867 -10.297 1.00 0.24 O ATOM 765 CG2 THR A 54 -4.830 -4.435 -9.046 1.00 0.24 C ATOM 0 H THR A 54 -7.722 -2.268 -7.804 1.00 0.15 H new ATOM 0 HA THR A 54 -7.810 -4.585 -9.420 1.00 0.16 H new ATOM 0 HB THR A 54 -5.772 -2.700 -8.274 1.00 0.18 H new ATOM 0 HG1 THR A 54 -5.382 -2.433 -10.585 1.00 0.24 H new ATOM 0 HG21 THR A 54 -3.937 -3.903 -9.375 1.00 0.24 H new ATOM 0 HG22 THR A 54 -4.662 -4.844 -8.050 1.00 0.24 H new ATOM 0 HG23 THR A 54 -5.045 -5.247 -9.740 1.00 0.24 H new ATOM 773 N SER A 55 -6.588 -4.965 -6.361 1.00 0.13 N ATOM 774 CA SER A 55 -6.250 -5.961 -5.348 1.00 0.13 C ATOM 775 C SER A 55 -7.365 -7.008 -5.201 1.00 0.11 C ATOM 776 O SER A 55 -7.109 -8.210 -5.227 1.00 0.13 O ATOM 777 CB SER A 55 -5.992 -5.256 -4.020 1.00 0.18 C ATOM 778 OG SER A 55 -5.351 -6.110 -3.097 1.00 0.90 O ATOM 0 H SER A 55 -6.445 -4.002 -6.056 1.00 0.13 H new ATOM 0 HA SER A 55 -5.349 -6.490 -5.659 1.00 0.13 H new ATOM 0 HB2 SER A 55 -5.375 -4.373 -4.189 1.00 0.18 H new ATOM 0 HB3 SER A 55 -6.937 -4.909 -3.601 1.00 0.18 H new ATOM 0 HG SER A 55 -4.380 -5.991 -3.161 1.00 0.90 H new ATOM 784 N ARG A 56 -8.606 -6.545 -5.091 1.00 0.10 N ATOM 785 CA ARG A 56 -9.759 -7.442 -4.979 1.00 0.10 C ATOM 786 C ARG A 56 -9.916 -8.274 -6.253 1.00 0.12 C ATOM 787 O ARG A 56 -10.177 -9.475 -6.196 1.00 0.17 O ATOM 788 CB ARG A 56 -11.028 -6.631 -4.735 1.00 0.11 C ATOM 789 CG ARG A 56 -10.913 -5.637 -3.609 1.00 0.14 C ATOM 790 CD ARG A 56 -11.849 -4.464 -3.842 1.00 0.17 C ATOM 791 NE ARG A 56 -13.234 -4.890 -4.049 1.00 1.28 N ATOM 792 CZ ARG A 56 -14.297 -4.109 -3.854 1.00 1.63 C ATOM 793 NH1 ARG A 56 -14.149 -2.865 -3.415 1.00 1.09 N1+ ATOM 794 NH2 ARG A 56 -15.513 -4.581 -4.089 1.00 2.73 N ATOM 0 H ARG A 56 -8.843 -5.553 -5.077 1.00 0.10 H new ATOM 0 HA ARG A 56 -9.594 -8.115 -4.138 1.00 0.10 H new ATOM 0 HB2 ARG A 56 -11.289 -6.099 -5.650 1.00 0.11 H new ATOM 0 HB3 ARG A 56 -11.848 -7.315 -4.519 1.00 0.11 H new ATOM 0 HG2 ARG A 56 -11.154 -6.121 -2.662 1.00 0.14 H new ATOM 0 HG3 ARG A 56 -9.886 -5.281 -3.533 1.00 0.14 H new ATOM 0 HD2 ARG A 56 -11.803 -3.790 -2.987 1.00 0.17 H new ATOM 0 HD3 ARG A 56 -11.511 -3.900 -4.711 1.00 0.17 H new ATOM 0 HE ARG A 56 -13.397 -5.847 -4.363 1.00 1.28 H new ATOM 0 HH11 ARG A 56 -13.216 -2.499 -3.224 1.00 1.09 H new ATOM 0 HH12 ARG A 56 -14.968 -2.275 -3.269 1.00 1.09 H new ATOM 0 HH21 ARG A 56 -15.633 -5.539 -4.418 1.00 2.73 H new ATOM 0 HH22 ARG A 56 -16.328 -3.986 -3.941 1.00 2.73 H new ATOM 808 N SER A 57 -9.747 -7.618 -7.398 1.00 0.13 N ATOM 809 CA SER A 57 -9.809 -8.271 -8.701 1.00 0.17 C ATOM 810 C SER A 57 -8.722 -9.340 -8.828 1.00 0.18 C ATOM 811 O SER A 57 -8.930 -10.399 -9.420 1.00 0.22 O ATOM 812 CB SER A 57 -9.651 -7.217 -9.794 1.00 0.22 C ATOM 813 OG SER A 57 -9.808 -7.765 -11.093 1.00 0.55 O ATOM 0 H SER A 57 -9.563 -6.616 -7.448 1.00 0.13 H new ATOM 0 HA SER A 57 -10.774 -8.766 -8.807 1.00 0.17 H new ATOM 0 HB2 SER A 57 -10.387 -6.427 -9.643 1.00 0.22 H new ATOM 0 HB3 SER A 57 -8.667 -6.756 -9.712 1.00 0.22 H new ATOM 0 HG SER A 57 -9.701 -7.057 -11.762 1.00 0.55 H new ATOM 819 N ARG A 58 -7.565 -9.041 -8.256 1.00 0.18 N ATOM 820 CA ARG A 58 -6.421 -9.944 -8.238 1.00 0.21 C ATOM 821 C ARG A 58 -6.709 -11.155 -7.370 1.00 0.18 C ATOM 822 O ARG A 58 -6.155 -12.238 -7.565 1.00 0.22 O ATOM 823 CB ARG A 58 -5.235 -9.194 -7.673 1.00 0.24 C ATOM 824 CG ARG A 58 -4.955 -7.915 -8.419 1.00 0.27 C ATOM 825 CD ARG A 58 -3.762 -8.051 -9.335 1.00 0.37 C ATOM 826 NE ARG A 58 -3.836 -7.154 -10.488 1.00 1.25 N ATOM 827 CZ ARG A 58 -2.784 -6.787 -11.221 1.00 1.56 C ATOM 828 NH1 ARG A 58 -1.571 -7.254 -10.942 1.00 1.28 N1+ ATOM 829 NH2 ARG A 58 -2.946 -5.954 -12.240 1.00 2.50 N ATOM 0 H ARG A 58 -7.391 -8.153 -7.785 1.00 0.18 H new ATOM 0 HA ARG A 58 -6.214 -10.289 -9.251 1.00 0.21 H new ATOM 0 HB2 ARG A 58 -5.419 -8.966 -6.623 1.00 0.24 H new ATOM 0 HB3 ARG A 58 -4.353 -9.833 -7.710 1.00 0.24 H new ATOM 0 HG2 ARG A 58 -5.832 -7.635 -9.003 1.00 0.27 H new ATOM 0 HG3 ARG A 58 -4.776 -7.110 -7.706 1.00 0.27 H new ATOM 0 HD2 ARG A 58 -2.851 -7.842 -8.774 1.00 0.37 H new ATOM 0 HD3 ARG A 58 -3.692 -9.081 -9.684 1.00 0.37 H new ATOM 0 HE ARG A 58 -4.751 -6.786 -10.748 1.00 1.25 H new ATOM 0 HH11 ARG A 58 -1.439 -7.898 -10.162 1.00 1.28 H new ATOM 0 HH12 ARG A 58 -0.772 -6.968 -11.508 1.00 1.28 H new ATOM 0 HH21 ARG A 58 -3.874 -5.595 -12.462 1.00 2.50 H new ATOM 0 HH22 ARG A 58 -2.142 -5.673 -12.801 1.00 2.50 H new ATOM 843 N GLY A 59 -7.575 -10.938 -6.401 1.00 0.14 N ATOM 844 CA GLY A 59 -7.937 -11.979 -5.459 1.00 0.15 C ATOM 845 C GLY A 59 -7.165 -11.823 -4.175 1.00 0.18 C ATOM 846 O GLY A 59 -7.059 -12.745 -3.367 1.00 0.24 O ATOM 0 H GLY A 59 -8.044 -10.046 -6.244 1.00 0.14 H new ATOM 0 HA2 GLY A 59 -9.007 -11.936 -5.254 1.00 0.15 H new ATOM 0 HA3 GLY A 59 -7.735 -12.958 -5.895 1.00 0.15 H new ATOM 850 N TYR A 60 -6.628 -10.630 -4.004 1.00 0.16 N ATOM 851 CA TYR A 60 -5.828 -10.281 -2.854 1.00 0.17 C ATOM 852 C TYR A 60 -6.721 -10.035 -1.659 1.00 0.15 C ATOM 853 O TYR A 60 -6.516 -10.588 -0.579 1.00 0.18 O ATOM 854 CB TYR A 60 -5.041 -9.019 -3.190 1.00 0.16 C ATOM 855 CG TYR A 60 -3.970 -9.217 -4.239 1.00 0.18 C ATOM 856 CD1 TYR A 60 -3.387 -8.140 -4.896 1.00 0.27 C ATOM 857 CD2 TYR A 60 -3.526 -10.487 -4.552 1.00 0.45 C ATOM 858 CE1 TYR A 60 -2.388 -8.331 -5.831 1.00 0.26 C ATOM 859 CE2 TYR A 60 -2.530 -10.689 -5.484 1.00 0.51 C ATOM 860 CZ TYR A 60 -2.045 -9.553 -6.217 1.00 0.28 C ATOM 861 OH TYR A 60 -0.962 -9.803 -7.049 1.00 0.35 O ATOM 0 H TYR A 60 -6.739 -9.867 -4.672 1.00 0.16 H new ATOM 0 HA TYR A 60 -5.145 -11.094 -2.608 1.00 0.17 H new ATOM 0 HB2 TYR A 60 -5.735 -8.253 -3.536 1.00 0.16 H new ATOM 0 HB3 TYR A 60 -4.576 -8.641 -2.279 1.00 0.16 H new ATOM 0 HD1 TYR A 60 -3.720 -7.137 -4.672 1.00 0.27 H new ATOM 0 HD2 TYR A 60 -3.968 -11.339 -4.057 1.00 0.45 H new ATOM 0 HE1 TYR A 60 -1.881 -7.476 -6.252 1.00 0.26 H new ATOM 0 HE2 TYR A 60 -2.125 -11.675 -5.658 1.00 0.51 H new ATOM 0 HH TYR A 60 -0.887 -10.767 -7.207 1.00 0.35 H new ATOM 871 N ILE A 61 -7.723 -9.207 -1.878 1.00 0.12 N ATOM 872 CA ILE A 61 -8.633 -8.806 -0.841 1.00 0.12 C ATOM 873 C ILE A 61 -10.057 -8.813 -1.332 1.00 0.11 C ATOM 874 O ILE A 61 -10.367 -9.249 -2.444 1.00 0.11 O ATOM 875 CB ILE A 61 -8.335 -7.377 -0.405 1.00 0.10 C ATOM 876 CG1 ILE A 61 -8.100 -6.532 -1.651 1.00 0.09 C ATOM 877 CG2 ILE A 61 -7.140 -7.331 0.537 1.00 0.11 C ATOM 878 CD1 ILE A 61 -8.157 -5.048 -1.405 1.00 0.11 C ATOM 0 H ILE A 61 -7.924 -8.795 -2.789 1.00 0.12 H new ATOM 0 HA ILE A 61 -8.507 -9.512 -0.020 1.00 0.12 H new ATOM 0 HB ILE A 61 -9.183 -6.974 0.148 1.00 0.10 H new ATOM 0 HG12 ILE A 61 -7.125 -6.783 -2.069 1.00 0.09 H new ATOM 0 HG13 ILE A 61 -8.846 -6.794 -2.401 1.00 0.09 H new ATOM 0 HG21 ILE A 61 -6.949 -6.299 0.833 1.00 0.11 H new ATOM 0 HG22 ILE A 61 -7.352 -7.929 1.423 1.00 0.11 H new ATOM 0 HG23 ILE A 61 -6.262 -7.732 0.031 1.00 0.11 H new ATOM 0 HD11 ILE A 61 -7.980 -4.517 -2.340 1.00 0.11 H new ATOM 0 HD12 ILE A 61 -9.140 -4.781 -1.017 1.00 0.11 H new ATOM 0 HD13 ILE A 61 -7.393 -4.770 -0.680 1.00 0.11 H new ATOM 890 N THR A 62 -10.903 -8.304 -0.479 1.00 0.12 N ATOM 891 CA THR A 62 -12.284 -8.061 -0.785 1.00 0.12 C ATOM 892 C THR A 62 -12.683 -6.686 -0.269 1.00 0.13 C ATOM 893 O THR A 62 -12.213 -6.272 0.783 1.00 0.13 O ATOM 894 CB THR A 62 -13.172 -9.148 -0.158 1.00 0.14 C ATOM 895 OG1 THR A 62 -13.426 -10.195 -1.104 1.00 0.16 O ATOM 896 CG2 THR A 62 -14.476 -8.576 0.372 1.00 0.16 C ATOM 0 H THR A 62 -10.644 -8.041 0.472 1.00 0.12 H new ATOM 0 HA THR A 62 -12.422 -8.091 -1.866 1.00 0.12 H new ATOM 0 HB THR A 62 -12.631 -9.565 0.691 1.00 0.14 H new ATOM 0 HG1 THR A 62 -13.991 -10.880 -0.690 1.00 0.16 H new ATOM 0 HG21 THR A 62 -15.074 -9.377 0.807 1.00 0.16 H new ATOM 0 HG22 THR A 62 -14.262 -7.828 1.135 1.00 0.16 H new ATOM 0 HG23 THR A 62 -15.029 -8.113 -0.445 1.00 0.16 H new ATOM 904 N GLY A 63 -13.531 -5.998 -1.023 1.00 0.15 N ATOM 905 CA GLY A 63 -14.061 -4.708 -0.607 1.00 0.17 C ATOM 906 C GLY A 63 -13.020 -3.793 0.011 1.00 0.17 C ATOM 907 O GLY A 63 -12.015 -3.458 -0.618 1.00 0.24 O ATOM 0 H GLY A 63 -13.868 -6.316 -1.932 1.00 0.15 H new ATOM 0 HA2 GLY A 63 -14.503 -4.211 -1.471 1.00 0.17 H new ATOM 0 HA3 GLY A 63 -14.864 -4.870 0.113 1.00 0.17 H new ATOM 911 N ASP A 64 -13.272 -3.398 1.249 1.00 0.14 N ATOM 912 CA ASP A 64 -12.348 -2.574 2.010 1.00 0.14 C ATOM 913 C ASP A 64 -11.648 -3.399 3.082 1.00 0.11 C ATOM 914 O ASP A 64 -11.033 -2.860 3.995 1.00 0.13 O ATOM 915 CB ASP A 64 -13.081 -1.401 2.657 1.00 0.19 C ATOM 916 CG ASP A 64 -14.299 -1.829 3.458 1.00 1.30 C ATOM 917 OD1 ASP A 64 -14.269 -1.730 4.699 1.00 2.21 O ATOM 918 OD2 ASP A 64 -15.299 -2.263 2.841 1.00 1.57 O1- ATOM 0 H ASP A 64 -14.124 -3.640 1.754 1.00 0.14 H new ATOM 0 HA ASP A 64 -11.599 -2.185 1.320 1.00 0.14 H new ATOM 0 HB2 ASP A 64 -12.393 -0.866 3.311 1.00 0.19 H new ATOM 0 HB3 ASP A 64 -13.391 -0.701 1.881 1.00 0.19 H new ATOM 923 N GLN A 65 -11.737 -4.712 2.940 1.00 0.10 N ATOM 924 CA GLN A 65 -11.108 -5.663 3.839 1.00 0.10 C ATOM 925 C GLN A 65 -9.617 -5.765 3.603 1.00 0.08 C ATOM 926 O GLN A 65 -9.044 -6.836 3.655 1.00 0.09 O ATOM 927 CB GLN A 65 -11.748 -7.021 3.700 1.00 0.11 C ATOM 928 CG GLN A 65 -13.246 -6.923 3.671 1.00 0.16 C ATOM 929 CD GLN A 65 -13.837 -6.764 5.048 1.00 0.28 C ATOM 930 OE1 GLN A 65 -13.313 -7.288 6.032 1.00 0.66 O ATOM 931 NE2 GLN A 65 -14.914 -6.018 5.131 1.00 0.34 N ATOM 0 H GLN A 65 -12.258 -5.153 2.182 1.00 0.10 H new ATOM 0 HA GLN A 65 -11.258 -5.296 4.855 1.00 0.10 H new ATOM 0 HB2 GLN A 65 -11.396 -7.498 2.786 1.00 0.11 H new ATOM 0 HB3 GLN A 65 -11.440 -7.656 4.530 1.00 0.11 H new ATOM 0 HG2 GLN A 65 -13.540 -6.075 3.052 1.00 0.16 H new ATOM 0 HG3 GLN A 65 -13.657 -7.817 3.203 1.00 0.16 H new ATOM 0 HE21 GLN A 65 -15.314 -5.604 4.289 1.00 0.34 H new ATOM 0 HE22 GLN A 65 -15.351 -5.852 6.038 1.00 0.34 H new ATOM 940 N TYR A 66 -9.013 -4.675 3.267 1.00 0.07 N ATOM 941 CA TYR A 66 -7.593 -4.661 3.025 1.00 0.06 C ATOM 942 C TYR A 66 -6.898 -3.971 4.163 1.00 0.05 C ATOM 943 O TYR A 66 -7.523 -3.264 4.941 1.00 0.05 O ATOM 944 CB TYR A 66 -7.270 -3.927 1.745 1.00 0.07 C ATOM 945 CG TYR A 66 -7.676 -2.479 1.775 1.00 0.07 C ATOM 946 CD1 TYR A 66 -6.742 -1.492 2.045 1.00 0.08 C ATOM 947 CD2 TYR A 66 -8.987 -2.100 1.534 1.00 0.08 C ATOM 948 CE1 TYR A 66 -7.105 -0.166 2.069 1.00 0.09 C ATOM 949 CE2 TYR A 66 -9.360 -0.774 1.563 1.00 0.09 C ATOM 950 CZ TYR A 66 -8.417 0.186 1.831 1.00 0.09 C ATOM 951 OH TYR A 66 -8.780 1.504 1.840 1.00 0.11 O ATOM 0 H TYR A 66 -9.475 -3.773 3.151 1.00 0.07 H new ATOM 0 HA TYR A 66 -7.252 -5.693 2.938 1.00 0.06 H new ATOM 0 HB2 TYR A 66 -6.199 -3.994 1.556 1.00 0.07 H new ATOM 0 HB3 TYR A 66 -7.772 -4.421 0.913 1.00 0.07 H new ATOM 0 HD1 TYR A 66 -5.716 -1.768 2.239 1.00 0.08 H new ATOM 0 HD2 TYR A 66 -9.728 -2.856 1.320 1.00 0.08 H new ATOM 0 HE1 TYR A 66 -6.367 0.596 2.273 1.00 0.09 H new ATOM 0 HE2 TYR A 66 -10.386 -0.493 1.376 1.00 0.09 H new ATOM 0 HH TYR A 66 -9.401 1.667 2.580 1.00 0.11 H new ATOM 961 N ILE A 67 -5.609 -4.154 4.247 1.00 0.05 N ATOM 962 CA ILE A 67 -4.834 -3.467 5.235 1.00 0.05 C ATOM 963 C ILE A 67 -3.667 -2.784 4.574 1.00 0.05 C ATOM 964 O ILE A 67 -2.680 -3.397 4.233 1.00 0.06 O ATOM 965 CB ILE A 67 -4.317 -4.420 6.322 1.00 0.05 C ATOM 966 CG1 ILE A 67 -5.480 -5.043 7.075 1.00 0.06 C ATOM 967 CG2 ILE A 67 -3.374 -3.687 7.262 1.00 0.06 C ATOM 968 CD1 ILE A 67 -5.060 -6.100 8.054 1.00 0.07 C ATOM 0 H ILE A 67 -5.075 -4.776 3.640 1.00 0.05 H new ATOM 0 HA ILE A 67 -5.482 -2.733 5.713 1.00 0.05 H new ATOM 0 HB ILE A 67 -3.756 -5.226 5.849 1.00 0.05 H new ATOM 0 HG12 ILE A 67 -6.020 -4.260 7.607 1.00 0.06 H new ATOM 0 HG13 ILE A 67 -6.176 -5.479 6.358 1.00 0.06 H new ATOM 0 HG21 ILE A 67 -3.015 -4.375 8.027 1.00 0.06 H new ATOM 0 HG22 ILE A 67 -2.526 -3.299 6.697 1.00 0.06 H new ATOM 0 HG23 ILE A 67 -3.903 -2.860 7.736 1.00 0.06 H new ATOM 0 HD11 ILE A 67 -5.940 -6.502 8.556 1.00 0.07 H new ATOM 0 HD12 ILE A 67 -4.546 -6.903 7.525 1.00 0.07 H new ATOM 0 HD13 ILE A 67 -4.388 -5.665 8.794 1.00 0.07 H new ATOM 980 N LEU A 68 -3.793 -1.517 4.383 1.00 0.05 N ATOM 981 CA LEU A 68 -2.760 -0.759 3.733 1.00 0.06 C ATOM 982 C LEU A 68 -1.911 -0.076 4.796 1.00 0.07 C ATOM 983 O LEU A 68 -2.419 0.244 5.863 1.00 0.11 O ATOM 984 CB LEU A 68 -3.426 0.251 2.826 1.00 0.06 C ATOM 985 CG LEU A 68 -2.513 1.256 2.167 1.00 0.07 C ATOM 986 CD1 LEU A 68 -1.921 0.675 0.899 1.00 0.09 C ATOM 987 CD2 LEU A 68 -3.275 2.534 1.898 1.00 0.10 C ATOM 0 H LEU A 68 -4.607 -0.972 4.668 1.00 0.05 H new ATOM 0 HA LEU A 68 -2.108 -1.397 3.136 1.00 0.06 H new ATOM 0 HB2 LEU A 68 -3.961 -0.290 2.045 1.00 0.06 H new ATOM 0 HB3 LEU A 68 -4.172 0.794 3.407 1.00 0.06 H new ATOM 0 HG LEU A 68 -1.684 1.492 2.834 1.00 0.07 H new ATOM 0 HD11 LEU A 68 -1.265 1.410 0.434 1.00 0.09 H new ATOM 0 HD12 LEU A 68 -1.349 -0.220 1.142 1.00 0.09 H new ATOM 0 HD13 LEU A 68 -2.723 0.416 0.208 1.00 0.09 H new ATOM 0 HD21 LEU A 68 -2.614 3.258 1.422 1.00 0.10 H new ATOM 0 HD22 LEU A 68 -4.117 2.324 1.239 1.00 0.10 H new ATOM 0 HD23 LEU A 68 -3.644 2.943 2.839 1.00 0.10 H new ATOM 999 N GLU A 69 -0.623 0.107 4.549 1.00 0.07 N ATOM 1000 CA GLU A 69 0.214 0.819 5.508 1.00 0.08 C ATOM 1001 C GLU A 69 1.250 1.689 4.835 1.00 0.08 C ATOM 1002 O GLU A 69 1.705 1.403 3.728 1.00 0.09 O ATOM 1003 CB GLU A 69 0.911 -0.152 6.455 1.00 0.11 C ATOM 1004 CG GLU A 69 0.069 -0.533 7.657 1.00 0.17 C ATOM 1005 CD GLU A 69 -0.201 0.637 8.595 1.00 0.42 C ATOM 1006 OE1 GLU A 69 -0.683 0.392 9.721 1.00 0.93 O ATOM 1007 OE2 GLU A 69 0.083 1.804 8.226 1.00 0.76 O1- ATOM 0 H GLU A 69 -0.140 -0.219 3.712 1.00 0.07 H new ATOM 0 HA GLU A 69 -0.456 1.465 6.075 1.00 0.08 H new ATOM 0 HB2 GLU A 69 1.176 -1.055 5.906 1.00 0.11 H new ATOM 0 HB3 GLU A 69 1.843 0.296 6.801 1.00 0.11 H new ATOM 0 HG2 GLU A 69 -0.881 -0.941 7.312 1.00 0.17 H new ATOM 0 HG3 GLU A 69 0.574 -1.325 8.210 1.00 0.17 H new ATOM 1014 N ARG A 70 1.606 2.765 5.523 1.00 0.10 N ATOM 1015 CA ARG A 70 2.678 3.639 5.083 1.00 0.10 C ATOM 1016 C ARG A 70 4.000 2.949 5.294 1.00 0.09 C ATOM 1017 O ARG A 70 4.240 2.353 6.343 1.00 0.10 O ATOM 1018 CB ARG A 70 2.693 4.958 5.853 1.00 0.14 C ATOM 1019 CG ARG A 70 1.329 5.561 6.099 1.00 0.40 C ATOM 1020 CD ARG A 70 0.730 5.064 7.414 1.00 0.30 C ATOM 1021 NE ARG A 70 -0.428 5.842 7.836 1.00 0.84 N ATOM 1022 CZ ARG A 70 -1.439 5.347 8.552 1.00 1.21 C ATOM 1023 NH1 ARG A 70 -1.481 4.052 8.857 1.00 1.48 N1+ ATOM 1024 NH2 ARG A 70 -2.420 6.148 8.948 1.00 1.74 N ATOM 0 H ARG A 70 1.162 3.053 6.395 1.00 0.10 H new ATOM 0 HA ARG A 70 2.512 3.858 4.028 1.00 0.10 H new ATOM 0 HB2 ARG A 70 3.183 4.797 6.813 1.00 0.14 H new ATOM 0 HB3 ARG A 70 3.299 5.677 5.303 1.00 0.14 H new ATOM 0 HG2 ARG A 70 1.408 6.648 6.121 1.00 0.40 H new ATOM 0 HG3 ARG A 70 0.663 5.307 5.275 1.00 0.40 H new ATOM 0 HD2 ARG A 70 0.440 4.019 7.304 1.00 0.30 H new ATOM 0 HD3 ARG A 70 1.492 5.103 8.193 1.00 0.30 H new ATOM 0 HE ARG A 70 -0.468 6.825 7.567 1.00 0.84 H new ATOM 0 HH11 ARG A 70 -0.736 3.430 8.543 1.00 1.48 H new ATOM 0 HH12 ARG A 70 -2.258 3.682 9.405 1.00 1.48 H new ATOM 0 HH21 ARG A 70 -2.399 7.138 8.705 1.00 1.74 H new ATOM 0 HH22 ARG A 70 -3.195 5.773 9.496 1.00 1.74 H new ATOM 1038 N VAL A 71 4.854 3.030 4.303 1.00 0.07 N ATOM 1039 CA VAL A 71 6.099 2.314 4.342 1.00 0.07 C ATOM 1040 C VAL A 71 7.280 3.223 4.079 1.00 0.07 C ATOM 1041 O VAL A 71 8.123 3.382 4.944 1.00 0.08 O ATOM 1042 CB VAL A 71 6.075 1.176 3.324 1.00 0.08 C ATOM 1043 CG1 VAL A 71 7.372 0.400 3.331 1.00 0.07 C ATOM 1044 CG2 VAL A 71 4.899 0.260 3.604 1.00 0.11 C ATOM 0 H VAL A 71 4.707 3.586 3.460 1.00 0.07 H new ATOM 0 HA VAL A 71 6.217 1.905 5.345 1.00 0.07 H new ATOM 0 HB VAL A 71 5.961 1.608 2.330 1.00 0.08 H new ATOM 0 HG11 VAL A 71 7.320 -0.402 2.595 1.00 0.07 H new ATOM 0 HG12 VAL A 71 8.197 1.068 3.082 1.00 0.07 H new ATOM 0 HG13 VAL A 71 7.536 -0.026 4.321 1.00 0.07 H new ATOM 0 HG21 VAL A 71 4.887 -0.550 2.875 1.00 0.11 H new ATOM 0 HG22 VAL A 71 4.993 -0.156 4.607 1.00 0.11 H new ATOM 0 HG23 VAL A 71 3.971 0.827 3.532 1.00 0.11 H new ATOM 1054 N ASN A 72 7.335 3.836 2.906 1.00 0.06 N ATOM 1055 CA ASN A 72 8.535 4.560 2.513 1.00 0.07 C ATOM 1056 C ASN A 72 8.215 5.778 1.675 1.00 0.07 C ATOM 1057 O ASN A 72 7.137 5.883 1.101 1.00 0.08 O ATOM 1058 CB ASN A 72 9.434 3.624 1.728 1.00 0.10 C ATOM 1059 CG ASN A 72 10.847 4.133 1.509 1.00 0.12 C ATOM 1060 OD1 ASN A 72 11.101 4.963 0.647 1.00 0.13 O ATOM 1061 ND2 ASN A 72 11.784 3.593 2.267 1.00 0.14 N ATOM 0 H ASN A 72 6.579 3.848 2.221 1.00 0.06 H new ATOM 0 HA ASN A 72 9.035 4.909 3.417 1.00 0.07 H new ATOM 0 HB2 ASN A 72 9.484 2.668 2.250 1.00 0.10 H new ATOM 0 HB3 ASN A 72 8.977 3.433 0.757 1.00 0.10 H new ATOM 0 HD21 ASN A 72 12.759 3.865 2.144 1.00 0.14 H new ATOM 0 HD22 ASN A 72 11.532 2.904 2.976 1.00 0.14 H new ATOM 1068 N ILE A 73 9.158 6.698 1.616 1.00 0.08 N ATOM 1069 CA ILE A 73 9.067 7.813 0.685 1.00 0.08 C ATOM 1070 C ILE A 73 10.276 7.808 -0.233 1.00 0.09 C ATOM 1071 O ILE A 73 11.385 8.142 0.178 1.00 0.11 O ATOM 1072 CB ILE A 73 8.961 9.197 1.371 1.00 0.08 C ATOM 1073 CG1 ILE A 73 7.634 9.362 2.109 1.00 0.08 C ATOM 1074 CG2 ILE A 73 9.102 10.298 0.335 1.00 0.09 C ATOM 1075 CD1 ILE A 73 7.530 10.667 2.873 1.00 0.10 C ATOM 0 H ILE A 73 9.995 6.698 2.199 1.00 0.08 H new ATOM 0 HA ILE A 73 8.143 7.667 0.126 1.00 0.08 H new ATOM 0 HB ILE A 73 9.766 9.266 2.102 1.00 0.08 H new ATOM 0 HG12 ILE A 73 6.817 9.304 1.390 1.00 0.08 H new ATOM 0 HG13 ILE A 73 7.507 8.532 2.803 1.00 0.08 H new ATOM 0 HG21 ILE A 73 9.027 11.269 0.824 1.00 0.09 H new ATOM 0 HG22 ILE A 73 10.071 10.213 -0.156 1.00 0.09 H new ATOM 0 HG23 ILE A 73 8.309 10.203 -0.407 1.00 0.09 H new ATOM 0 HD11 ILE A 73 6.563 10.719 3.374 1.00 0.10 H new ATOM 0 HD12 ILE A 73 8.326 10.718 3.615 1.00 0.10 H new ATOM 0 HD13 ILE A 73 7.626 11.503 2.180 1.00 0.10 H new ATOM 1087 N VAL A 74 10.054 7.416 -1.473 1.00 0.10 N ATOM 1088 CA VAL A 74 11.122 7.395 -2.465 1.00 0.13 C ATOM 1089 C VAL A 74 10.903 8.522 -3.449 1.00 0.15 C ATOM 1090 O VAL A 74 9.985 8.457 -4.263 1.00 0.15 O ATOM 1091 CB VAL A 74 11.190 6.060 -3.244 1.00 0.15 C ATOM 1092 CG1 VAL A 74 12.279 6.113 -4.306 1.00 0.18 C ATOM 1093 CG2 VAL A 74 11.429 4.889 -2.309 1.00 0.24 C ATOM 0 H VAL A 74 9.146 7.107 -1.821 1.00 0.10 H new ATOM 0 HA VAL A 74 12.064 7.512 -1.929 1.00 0.13 H new ATOM 0 HB VAL A 74 10.227 5.914 -3.734 1.00 0.15 H new ATOM 0 HG11 VAL A 74 12.310 5.165 -4.842 1.00 0.18 H new ATOM 0 HG12 VAL A 74 12.065 6.920 -5.007 1.00 0.18 H new ATOM 0 HG13 VAL A 74 13.243 6.293 -3.830 1.00 0.18 H new ATOM 0 HG21 VAL A 74 11.472 3.965 -2.886 1.00 0.24 H new ATOM 0 HG22 VAL A 74 12.372 5.031 -1.781 1.00 0.24 H new ATOM 0 HG23 VAL A 74 10.615 4.828 -1.587 1.00 0.24 H new ATOM 1103 N ASN A 75 11.706 9.576 -3.329 1.00 0.20 N ATOM 1104 CA ASN A 75 11.609 10.740 -4.211 1.00 0.25 C ATOM 1105 C ASN A 75 10.291 11.489 -3.962 1.00 0.20 C ATOM 1106 O ASN A 75 9.975 12.485 -4.614 1.00 0.25 O ATOM 1107 CB ASN A 75 11.713 10.238 -5.669 1.00 0.29 C ATOM 1108 CG ASN A 75 11.080 11.140 -6.709 1.00 0.33 C ATOM 1109 OD1 ASN A 75 9.762 11.057 -6.837 1.00 0.39 O flip ATOM 1110 ND2 ASN A 75 11.763 11.925 -7.368 1.00 0.31 N flip ATOM 0 H ASN A 75 12.438 9.649 -2.623 1.00 0.20 H new ATOM 0 HA ASN A 75 12.416 11.445 -4.012 1.00 0.25 H new ATOM 0 HB2 ASN A 75 12.766 10.108 -5.917 1.00 0.29 H new ATOM 0 HB3 ASN A 75 11.247 9.255 -5.732 1.00 0.29 H new ATOM 0 HD21 ASN A 75 12.774 11.955 -7.237 1.00 0.31 H new ATOM 0 HD22 ASN A 75 11.317 12.545 -8.045 1.00 0.31 H new ATOM 1117 N GLY A 76 9.584 11.084 -2.927 1.00 0.13 N ATOM 1118 CA GLY A 76 8.261 11.615 -2.705 1.00 0.10 C ATOM 1119 C GLY A 76 7.176 10.758 -3.338 1.00 0.09 C ATOM 1120 O GLY A 76 6.031 11.176 -3.433 1.00 0.11 O ATOM 0 H GLY A 76 9.899 10.400 -2.238 1.00 0.13 H new ATOM 0 HA2 GLY A 76 8.079 11.692 -1.633 1.00 0.10 H new ATOM 0 HA3 GLY A 76 8.205 12.625 -3.112 1.00 0.10 H new ATOM 1124 N ASN A 77 7.535 9.551 -3.757 1.00 0.09 N ATOM 1125 CA ASN A 77 6.593 8.629 -4.390 1.00 0.10 C ATOM 1126 C ASN A 77 5.947 7.718 -3.357 1.00 0.09 C ATOM 1127 O ASN A 77 5.725 6.546 -3.635 1.00 0.10 O ATOM 1128 CB ASN A 77 7.284 7.782 -5.459 1.00 0.14 C ATOM 1129 CG ASN A 77 7.618 8.568 -6.710 1.00 0.23 C ATOM 1130 OD1 ASN A 77 6.945 9.538 -7.051 1.00 0.38 O ATOM 1131 ND2 ASN A 77 8.659 8.148 -7.406 1.00 0.36 N ATOM 0 H ASN A 77 8.482 9.182 -3.669 1.00 0.09 H new ATOM 0 HA ASN A 77 5.819 9.231 -4.866 1.00 0.10 H new ATOM 0 HB2 ASN A 77 8.200 7.361 -5.045 1.00 0.14 H new ATOM 0 HB3 ASN A 77 6.639 6.944 -5.724 1.00 0.14 H new ATOM 0 HD21 ASN A 77 8.930 8.633 -8.261 1.00 0.36 H new ATOM 0 HD22 ASN A 77 9.192 7.338 -7.088 1.00 0.36 H new ATOM 1138 N GLY A 78 5.665 8.288 -2.179 1.00 0.07 N ATOM 1139 CA GLY A 78 5.247 7.538 -0.983 1.00 0.07 C ATOM 1140 C GLY A 78 4.667 6.167 -1.252 1.00 0.06 C ATOM 1141 O GLY A 78 3.612 6.025 -1.873 1.00 0.08 O ATOM 0 H GLY A 78 5.721 9.295 -2.025 1.00 0.07 H new ATOM 0 HA2 GLY A 78 6.108 7.428 -0.324 1.00 0.07 H new ATOM 0 HA3 GLY A 78 4.506 8.129 -0.444 1.00 0.07 H new ATOM 1145 N TYR A 79 5.362 5.165 -0.754 1.00 0.06 N ATOM 1146 CA TYR A 79 5.012 3.784 -1.006 1.00 0.05 C ATOM 1147 C TYR A 79 4.178 3.228 0.117 1.00 0.06 C ATOM 1148 O TYR A 79 4.465 3.434 1.303 1.00 0.06 O ATOM 1149 CB TYR A 79 6.263 2.931 -1.212 1.00 0.06 C ATOM 1150 CG TYR A 79 6.918 3.159 -2.554 1.00 0.07 C ATOM 1151 CD1 TYR A 79 6.933 2.162 -3.517 1.00 0.09 C ATOM 1152 CD2 TYR A 79 7.510 4.376 -2.866 1.00 0.11 C ATOM 1153 CE1 TYR A 79 7.510 2.362 -4.739 1.00 0.13 C ATOM 1154 CE2 TYR A 79 8.093 4.591 -4.094 1.00 0.15 C ATOM 1155 CZ TYR A 79 8.093 3.581 -5.032 1.00 0.15 C ATOM 1156 OH TYR A 79 8.672 3.790 -6.263 1.00 0.19 O ATOM 0 H TYR A 79 6.185 5.286 -0.164 1.00 0.06 H new ATOM 0 HA TYR A 79 4.421 3.753 -1.922 1.00 0.05 H new ATOM 0 HB2 TYR A 79 6.980 3.151 -0.422 1.00 0.06 H new ATOM 0 HB3 TYR A 79 5.998 1.878 -1.117 1.00 0.06 H new ATOM 0 HD1 TYR A 79 6.479 1.207 -3.297 1.00 0.09 H new ATOM 0 HD2 TYR A 79 7.513 5.168 -2.132 1.00 0.11 H new ATOM 0 HE1 TYR A 79 7.511 1.571 -5.474 1.00 0.13 H new ATOM 0 HE2 TYR A 79 8.547 5.544 -4.321 1.00 0.15 H new ATOM 0 HH TYR A 79 9.273 3.045 -6.473 1.00 0.19 H new ATOM 1166 N TYR A 80 3.143 2.531 -0.278 1.00 0.07 N ATOM 1167 CA TYR A 80 2.200 1.951 0.641 1.00 0.07 C ATOM 1168 C TYR A 80 2.121 0.462 0.424 1.00 0.09 C ATOM 1169 O TYR A 80 2.058 -0.003 -0.706 1.00 0.13 O ATOM 1170 CB TYR A 80 0.826 2.568 0.433 1.00 0.07 C ATOM 1171 CG TYR A 80 0.662 3.940 1.028 1.00 0.07 C ATOM 1172 CD1 TYR A 80 1.177 5.049 0.371 1.00 0.09 C ATOM 1173 CD2 TYR A 80 0.017 4.133 2.245 1.00 0.09 C ATOM 1174 CE1 TYR A 80 1.056 6.311 0.906 1.00 0.11 C ATOM 1175 CE2 TYR A 80 -0.111 5.398 2.785 1.00 0.11 C ATOM 1176 CZ TYR A 80 0.307 6.456 2.140 1.00 0.11 C ATOM 1177 OH TYR A 80 0.306 7.744 2.641 1.00 0.16 O ATOM 0 H TYR A 80 2.930 2.349 -1.259 1.00 0.07 H new ATOM 0 HA TYR A 80 2.533 2.150 1.660 1.00 0.07 H new ATOM 0 HB2 TYR A 80 0.625 2.623 -0.637 1.00 0.07 H new ATOM 0 HB3 TYR A 80 0.075 1.906 0.865 1.00 0.07 H new ATOM 0 HD1 TYR A 80 1.681 4.919 -0.575 1.00 0.09 H new ATOM 0 HD2 TYR A 80 -0.389 3.284 2.774 1.00 0.09 H new ATOM 0 HE1 TYR A 80 1.504 7.166 0.423 1.00 0.11 H new ATOM 0 HE2 TYR A 80 -0.565 5.515 3.758 1.00 0.11 H new ATOM 0 HH TYR A 80 -0.086 8.352 1.980 1.00 0.16 H new ATOM 1187 N ASN A 81 2.113 -0.282 1.498 1.00 0.10 N ATOM 1188 CA ASN A 81 1.982 -1.720 1.397 1.00 0.14 C ATOM 1189 C ASN A 81 0.543 -2.099 1.573 1.00 0.08 C ATOM 1190 O ASN A 81 -0.154 -1.558 2.425 1.00 0.11 O ATOM 1191 CB ASN A 81 2.808 -2.441 2.454 1.00 0.32 C ATOM 1192 CG ASN A 81 4.279 -2.480 2.141 1.00 0.60 C ATOM 1193 OD1 ASN A 81 4.768 -1.770 1.268 1.00 1.56 O ATOM 1194 ND2 ASN A 81 5.002 -3.275 2.896 1.00 0.33 N ATOM 0 H ASN A 81 2.195 0.076 2.450 1.00 0.10 H new ATOM 0 HA ASN A 81 2.347 -2.018 0.414 1.00 0.14 H new ATOM 0 HB2 ASN A 81 2.662 -1.949 3.416 1.00 0.32 H new ATOM 0 HB3 ASN A 81 2.439 -3.461 2.558 1.00 0.32 H new ATOM 0 HD21 ASN A 81 6.013 -3.319 2.768 1.00 0.33 H new ATOM 0 HD22 ASN A 81 4.553 -3.848 3.610 1.00 0.33 H new ATOM 1201 N LEU A 82 0.108 -3.023 0.766 1.00 0.06 N ATOM 1202 CA LEU A 82 -1.230 -3.526 0.862 1.00 0.06 C ATOM 1203 C LEU A 82 -1.185 -4.905 1.465 1.00 0.06 C ATOM 1204 O LEU A 82 -0.407 -5.760 1.045 1.00 0.07 O ATOM 1205 CB LEU A 82 -1.868 -3.583 -0.510 1.00 0.08 C ATOM 1206 CG LEU A 82 -3.228 -2.899 -0.629 1.00 0.11 C ATOM 1207 CD1 LEU A 82 -4.031 -3.539 -1.737 1.00 0.19 C ATOM 1208 CD2 LEU A 82 -3.991 -2.948 0.686 1.00 0.08 C ATOM 0 H LEU A 82 0.668 -3.447 0.027 1.00 0.06 H new ATOM 0 HA LEU A 82 -1.826 -2.864 1.491 1.00 0.06 H new ATOM 0 HB2 LEU A 82 -1.187 -3.127 -1.228 1.00 0.08 H new ATOM 0 HB3 LEU A 82 -1.980 -4.629 -0.797 1.00 0.08 H new ATOM 0 HG LEU A 82 -3.062 -1.849 -0.872 1.00 0.11 H new ATOM 0 HD11 LEU A 82 -5.000 -3.046 -1.816 1.00 0.19 H new ATOM 0 HD12 LEU A 82 -3.494 -3.438 -2.680 1.00 0.19 H new ATOM 0 HD13 LEU A 82 -4.179 -4.596 -1.515 1.00 0.19 H new ATOM 0 HD21 LEU A 82 -4.954 -2.452 0.566 1.00 0.08 H new ATOM 0 HD22 LEU A 82 -4.151 -3.987 0.975 1.00 0.08 H new ATOM 0 HD23 LEU A 82 -3.415 -2.440 1.460 1.00 0.08 H new ATOM 1220 N TYR A 83 -1.988 -5.085 2.469 1.00 0.06 N ATOM 1221 CA TYR A 83 -2.044 -6.315 3.208 1.00 0.06 C ATOM 1222 C TYR A 83 -3.448 -6.872 3.173 1.00 0.06 C ATOM 1223 O TYR A 83 -4.414 -6.156 2.911 1.00 0.05 O ATOM 1224 CB TYR A 83 -1.623 -6.045 4.655 1.00 0.06 C ATOM 1225 CG TYR A 83 -0.196 -5.581 4.786 1.00 0.09 C ATOM 1226 CD1 TYR A 83 0.855 -6.449 4.577 1.00 0.11 C ATOM 1227 CD2 TYR A 83 0.095 -4.261 5.108 1.00 0.11 C ATOM 1228 CE1 TYR A 83 2.159 -6.023 4.685 1.00 0.14 C ATOM 1229 CE2 TYR A 83 1.399 -3.830 5.220 1.00 0.15 C ATOM 1230 CZ TYR A 83 2.427 -4.716 5.008 1.00 0.16 C ATOM 1231 OH TYR A 83 3.729 -4.292 5.118 1.00 0.19 O ATOM 0 H TYR A 83 -2.634 -4.371 2.805 1.00 0.06 H new ATOM 0 HA TYR A 83 -1.368 -7.044 2.761 1.00 0.06 H new ATOM 0 HB2 TYR A 83 -2.283 -5.291 5.083 1.00 0.06 H new ATOM 0 HB3 TYR A 83 -1.757 -6.955 5.240 1.00 0.06 H new ATOM 0 HD1 TYR A 83 0.651 -7.479 4.325 1.00 0.11 H new ATOM 0 HD2 TYR A 83 -0.712 -3.563 5.273 1.00 0.11 H new ATOM 0 HE1 TYR A 83 2.970 -6.716 4.516 1.00 0.14 H new ATOM 0 HE2 TYR A 83 1.611 -2.802 5.473 1.00 0.15 H new ATOM 0 HH TYR A 83 3.800 -3.640 5.846 1.00 0.19 H new ATOM 1241 N LYS A 84 -3.539 -8.157 3.405 1.00 0.07 N ATOM 1242 CA LYS A 84 -4.804 -8.821 3.573 1.00 0.08 C ATOM 1243 C LYS A 84 -5.343 -8.493 4.952 1.00 0.08 C ATOM 1244 O LYS A 84 -4.597 -7.978 5.776 1.00 0.08 O ATOM 1245 CB LYS A 84 -4.584 -10.321 3.416 1.00 0.09 C ATOM 1246 CG LYS A 84 -4.250 -10.718 1.999 1.00 0.10 C ATOM 1247 CD LYS A 84 -3.993 -12.207 1.879 1.00 0.11 C ATOM 1248 CE LYS A 84 -4.021 -12.655 0.435 1.00 0.17 C ATOM 1249 NZ LYS A 84 -3.833 -14.124 0.292 1.00 0.57 N1+ ATOM 0 H LYS A 84 -2.731 -8.775 3.483 1.00 0.07 H new ATOM 0 HA LYS A 84 -5.527 -8.490 2.827 1.00 0.08 H new ATOM 0 HB2 LYS A 84 -3.776 -10.636 4.077 1.00 0.09 H new ATOM 0 HB3 LYS A 84 -5.482 -10.851 3.735 1.00 0.09 H new ATOM 0 HG2 LYS A 84 -5.071 -10.436 1.339 1.00 0.10 H new ATOM 0 HG3 LYS A 84 -3.370 -10.169 1.665 1.00 0.10 H new ATOM 0 HD2 LYS A 84 -3.025 -12.448 2.318 1.00 0.11 H new ATOM 0 HD3 LYS A 84 -4.745 -12.755 2.447 1.00 0.11 H new ATOM 0 HE2 LYS A 84 -4.972 -12.368 -0.013 1.00 0.17 H new ATOM 0 HE3 LYS A 84 -3.239 -12.136 -0.119 1.00 0.17 H new ATOM 0 HZ1 LYS A 84 -3.860 -14.381 -0.715 1.00 0.57 H new ATOM 0 HZ2 LYS A 84 -2.914 -14.397 0.695 1.00 0.57 H new ATOM 0 HZ3 LYS A 84 -4.594 -14.622 0.797 1.00 0.57 H new ATOM 1263 N PRO A 85 -6.622 -8.776 5.242 1.00 0.08 N ATOM 1264 CA PRO A 85 -7.175 -8.563 6.580 1.00 0.09 C ATOM 1265 C PRO A 85 -6.402 -9.335 7.632 1.00 0.10 C ATOM 1266 O PRO A 85 -6.486 -9.057 8.829 1.00 0.12 O ATOM 1267 CB PRO A 85 -8.593 -9.106 6.511 1.00 0.10 C ATOM 1268 CG PRO A 85 -8.919 -9.266 5.064 1.00 0.11 C ATOM 1269 CD PRO A 85 -7.621 -9.284 4.293 1.00 0.10 C ATOM 0 HA PRO A 85 -7.128 -7.510 6.857 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.668 -10.060 7.033 1.00 0.10 H new ATOM 0 HB3 PRO A 85 -9.293 -8.423 6.993 1.00 0.10 H new ATOM 0 HG2 PRO A 85 -9.474 -10.190 4.898 1.00 0.11 H new ATOM 0 HG3 PRO A 85 -9.553 -8.448 4.723 1.00 0.11 H new ATOM 0 HD2 PRO A 85 -7.373 -10.291 3.957 1.00 0.10 H new ATOM 0 HD3 PRO A 85 -7.679 -8.656 3.404 1.00 0.10 H new ATOM 1277 N ASP A 86 -5.652 -10.314 7.165 1.00 0.11 N ATOM 1278 CA ASP A 86 -4.859 -11.144 8.018 1.00 0.13 C ATOM 1279 C ASP A 86 -3.490 -10.531 8.210 1.00 0.11 C ATOM 1280 O ASP A 86 -2.691 -11.014 9.003 1.00 0.16 O ATOM 1281 CB ASP A 86 -4.704 -12.507 7.385 1.00 0.20 C ATOM 1282 CG ASP A 86 -6.007 -13.073 6.867 1.00 1.25 C ATOM 1283 OD1 ASP A 86 -6.293 -12.903 5.662 1.00 1.85 O ATOM 1284 OD2 ASP A 86 -6.753 -13.691 7.658 1.00 1.93 O1- ATOM 0 H ASP A 86 -5.583 -10.549 6.175 1.00 0.11 H new ATOM 0 HA ASP A 86 -5.353 -11.235 8.985 1.00 0.13 H new ATOM 0 HB2 ASP A 86 -3.992 -12.440 6.563 1.00 0.20 H new ATOM 0 HB3 ASP A 86 -4.282 -13.195 8.117 1.00 0.20 H new ATOM 1289 N GLY A 87 -3.230 -9.462 7.470 1.00 0.09 N ATOM 1290 CA GLY A 87 -1.950 -8.796 7.530 1.00 0.10 C ATOM 1291 C GLY A 87 -1.002 -9.300 6.461 1.00 0.10 C ATOM 1292 O GLY A 87 0.119 -8.824 6.343 1.00 0.11 O ATOM 0 H GLY A 87 -3.895 -9.041 6.821 1.00 0.09 H new ATOM 0 HA2 GLY A 87 -2.093 -7.722 7.411 1.00 0.10 H new ATOM 0 HA3 GLY A 87 -1.505 -8.952 8.513 1.00 0.10 H new ATOM 1296 N THR A 88 -1.452 -10.251 5.662 1.00 0.10 N ATOM 1297 CA THR A 88 -0.605 -10.837 4.642 1.00 0.10 C ATOM 1298 C THR A 88 -0.228 -9.818 3.570 1.00 0.08 C ATOM 1299 O THR A 88 -1.098 -9.244 2.916 1.00 0.09 O ATOM 1300 CB THR A 88 -1.296 -12.043 3.998 1.00 0.13 C ATOM 1301 OG1 THR A 88 -1.275 -13.155 4.900 1.00 0.17 O ATOM 1302 CG2 THR A 88 -0.632 -12.402 2.681 1.00 0.13 C ATOM 0 H THR A 88 -2.397 -10.632 5.700 1.00 0.10 H new ATOM 0 HA THR A 88 0.312 -11.168 5.129 1.00 0.10 H new ATOM 0 HB THR A 88 -2.334 -11.784 3.788 1.00 0.13 H new ATOM 0 HG1 THR A 88 -1.720 -13.923 4.483 1.00 0.17 H new ATOM 0 HG21 THR A 88 -1.138 -13.261 2.241 1.00 0.13 H new ATOM 0 HG22 THR A 88 -0.695 -11.554 1.999 1.00 0.13 H new ATOM 0 HG23 THR A 88 0.415 -12.649 2.857 1.00 0.13 H new ATOM 1310 N TYR A 89 1.073 -9.586 3.426 1.00 0.08 N ATOM 1311 CA TYR A 89 1.601 -8.709 2.388 1.00 0.08 C ATOM 1312 C TYR A 89 1.161 -9.134 1.004 1.00 0.08 C ATOM 1313 O TYR A 89 1.342 -10.275 0.586 1.00 0.11 O ATOM 1314 CB TYR A 89 3.123 -8.693 2.469 1.00 0.09 C ATOM 1315 CG TYR A 89 3.789 -7.831 1.418 1.00 0.09 C ATOM 1316 CD1 TYR A 89 4.341 -8.406 0.279 1.00 0.11 C ATOM 1317 CD2 TYR A 89 3.865 -6.448 1.558 1.00 0.12 C ATOM 1318 CE1 TYR A 89 4.945 -7.632 -0.689 1.00 0.14 C ATOM 1319 CE2 TYR A 89 4.470 -5.671 0.592 1.00 0.15 C ATOM 1320 CZ TYR A 89 5.008 -6.268 -0.529 1.00 0.16 C ATOM 1321 OH TYR A 89 5.601 -5.493 -1.497 1.00 0.20 O ATOM 0 H TYR A 89 1.789 -9.999 4.024 1.00 0.08 H new ATOM 0 HA TYR A 89 1.204 -7.708 2.560 1.00 0.08 H new ATOM 0 HB2 TYR A 89 3.420 -8.338 3.456 1.00 0.09 H new ATOM 0 HB3 TYR A 89 3.492 -9.714 2.373 1.00 0.09 H new ATOM 0 HD1 TYR A 89 4.296 -9.477 0.150 1.00 0.11 H new ATOM 0 HD2 TYR A 89 3.445 -5.977 2.434 1.00 0.12 H new ATOM 0 HE1 TYR A 89 5.367 -8.095 -1.569 1.00 0.14 H new ATOM 0 HE2 TYR A 89 4.522 -4.599 0.713 1.00 0.15 H new ATOM 0 HH TYR A 89 5.647 -4.564 -1.189 1.00 0.20 H new ATOM 1331 N LEU A 90 0.577 -8.181 0.320 1.00 0.07 N ATOM 1332 CA LEU A 90 0.147 -8.341 -1.046 1.00 0.07 C ATOM 1333 C LEU A 90 1.156 -7.683 -1.971 1.00 0.06 C ATOM 1334 O LEU A 90 1.792 -8.343 -2.791 1.00 0.08 O ATOM 1335 CB LEU A 90 -1.215 -7.690 -1.193 1.00 0.08 C ATOM 1336 CG LEU A 90 -2.301 -8.303 -0.320 1.00 0.09 C ATOM 1337 CD1 LEU A 90 -3.544 -7.436 -0.328 1.00 0.12 C ATOM 1338 CD2 LEU A 90 -2.613 -9.716 -0.780 1.00 0.12 C ATOM 0 H LEU A 90 0.384 -7.256 0.705 1.00 0.07 H new ATOM 0 HA LEU A 90 0.077 -9.397 -1.308 1.00 0.07 H new ATOM 0 HB2 LEU A 90 -1.126 -6.631 -0.952 1.00 0.08 H new ATOM 0 HB3 LEU A 90 -1.525 -7.754 -2.236 1.00 0.08 H new ATOM 0 HG LEU A 90 -1.938 -8.354 0.706 1.00 0.09 H new ATOM 0 HD11 LEU A 90 -4.309 -7.891 0.302 1.00 0.12 H new ATOM 0 HD12 LEU A 90 -3.299 -6.446 0.056 1.00 0.12 H new ATOM 0 HD13 LEU A 90 -3.919 -7.347 -1.348 1.00 0.12 H new ATOM 0 HD21 LEU A 90 -3.391 -10.141 -0.146 1.00 0.12 H new ATOM 0 HD22 LEU A 90 -2.958 -9.694 -1.814 1.00 0.12 H new ATOM 0 HD23 LEU A 90 -1.714 -10.328 -0.711 1.00 0.12 H new ATOM 1350 N PHE A 91 1.303 -6.373 -1.816 1.00 0.06 N ATOM 1351 CA PHE A 91 2.300 -5.621 -2.579 1.00 0.06 C ATOM 1352 C PHE A 91 2.613 -4.274 -1.958 1.00 0.05 C ATOM 1353 O PHE A 91 1.978 -3.845 -0.996 1.00 0.07 O ATOM 1354 CB PHE A 91 1.853 -5.389 -4.023 1.00 0.07 C ATOM 1355 CG PHE A 91 0.475 -4.819 -4.173 1.00 0.08 C ATOM 1356 CD1 PHE A 91 -0.598 -5.629 -4.521 1.00 0.12 C ATOM 1357 CD2 PHE A 91 0.245 -3.476 -3.950 1.00 0.08 C ATOM 1358 CE1 PHE A 91 -1.859 -5.105 -4.643 1.00 0.15 C ATOM 1359 CE2 PHE A 91 -1.017 -2.949 -4.073 1.00 0.10 C ATOM 1360 CZ PHE A 91 -2.070 -3.777 -4.485 1.00 0.13 C ATOM 0 H PHE A 91 0.749 -5.808 -1.172 1.00 0.06 H new ATOM 0 HA PHE A 91 3.199 -6.238 -2.564 1.00 0.06 H new ATOM 0 HB2 PHE A 91 2.563 -4.716 -4.504 1.00 0.07 H new ATOM 0 HB3 PHE A 91 1.899 -6.337 -4.559 1.00 0.07 H new ATOM 0 HD1 PHE A 91 -0.437 -6.682 -4.697 1.00 0.12 H new ATOM 0 HD2 PHE A 91 1.068 -2.832 -3.676 1.00 0.08 H new ATOM 0 HE1 PHE A 91 -2.691 -5.757 -4.867 1.00 0.15 H new ATOM 0 HE2 PHE A 91 -1.196 -1.907 -3.854 1.00 0.10 H new ATOM 0 HZ PHE A 91 -3.047 -3.357 -4.676 1.00 0.13 H new ATOM 1370 N THR A 92 3.607 -3.627 -2.541 1.00 0.05 N ATOM 1371 CA THR A 92 3.969 -2.264 -2.214 1.00 0.05 C ATOM 1372 C THR A 92 3.624 -1.374 -3.391 1.00 0.05 C ATOM 1373 O THR A 92 4.118 -1.572 -4.495 1.00 0.09 O ATOM 1374 CB THR A 92 5.467 -2.126 -1.912 1.00 0.08 C ATOM 1375 OG1 THR A 92 5.837 -2.930 -0.780 1.00 0.14 O ATOM 1376 CG2 THR A 92 5.819 -0.670 -1.665 1.00 0.09 C ATOM 0 H THR A 92 4.193 -4.042 -3.266 1.00 0.05 H new ATOM 0 HA THR A 92 3.417 -1.971 -1.321 1.00 0.05 H new ATOM 0 HB THR A 92 6.026 -2.482 -2.777 1.00 0.08 H new ATOM 0 HG1 THR A 92 5.811 -2.383 0.033 1.00 0.14 H new ATOM 0 HG21 THR A 92 6.884 -0.584 -1.452 1.00 0.09 H new ATOM 0 HG22 THR A 92 5.578 -0.082 -2.551 1.00 0.09 H new ATOM 0 HG23 THR A 92 5.248 -0.297 -0.815 1.00 0.09 H new ATOM 1384 N LEU A 93 2.774 -0.408 -3.161 1.00 0.05 N ATOM 1385 CA LEU A 93 2.293 0.435 -4.221 1.00 0.05 C ATOM 1386 C LEU A 93 2.856 1.833 -4.096 1.00 0.06 C ATOM 1387 O LEU A 93 3.381 2.225 -3.055 1.00 0.06 O ATOM 1388 CB LEU A 93 0.777 0.460 -4.200 1.00 0.05 C ATOM 1389 CG LEU A 93 0.174 1.237 -3.042 1.00 0.05 C ATOM 1390 CD1 LEU A 93 -0.200 2.652 -3.473 1.00 0.06 C ATOM 1391 CD2 LEU A 93 -1.023 0.487 -2.495 1.00 0.06 C ATOM 0 H LEU A 93 2.398 -0.185 -2.239 1.00 0.05 H new ATOM 0 HA LEU A 93 2.628 0.029 -5.176 1.00 0.05 H new ATOM 0 HB2 LEU A 93 0.421 0.892 -5.135 1.00 0.05 H new ATOM 0 HB3 LEU A 93 0.410 -0.566 -4.163 1.00 0.05 H new ATOM 0 HG LEU A 93 0.915 1.329 -2.248 1.00 0.05 H new ATOM 0 HD11 LEU A 93 -0.630 3.188 -2.627 1.00 0.06 H new ATOM 0 HD12 LEU A 93 0.692 3.175 -3.819 1.00 0.06 H new ATOM 0 HD13 LEU A 93 -0.930 2.605 -4.281 1.00 0.06 H new ATOM 0 HD21 LEU A 93 -1.454 1.046 -1.664 1.00 0.06 H new ATOM 0 HD22 LEU A 93 -1.770 0.371 -3.281 1.00 0.06 H new ATOM 0 HD23 LEU A 93 -0.708 -0.496 -2.146 1.00 0.06 H new ATOM 1403 N ASN A 94 2.728 2.565 -5.172 1.00 0.06 N ATOM 1404 CA ASN A 94 3.137 3.948 -5.234 1.00 0.08 C ATOM 1405 C ASN A 94 1.885 4.785 -5.155 1.00 0.09 C ATOM 1406 O ASN A 94 0.962 4.574 -5.926 1.00 0.15 O ATOM 1407 CB ASN A 94 3.839 4.220 -6.565 1.00 0.09 C ATOM 1408 CG ASN A 94 4.531 5.570 -6.623 1.00 0.19 C ATOM 1409 OD1 ASN A 94 4.096 6.538 -6.007 1.00 1.15 O ATOM 1410 ND2 ASN A 94 5.610 5.643 -7.385 1.00 0.87 N ATOM 0 H ASN A 94 2.331 2.214 -6.044 1.00 0.06 H new ATOM 0 HA ASN A 94 3.824 4.184 -4.421 1.00 0.08 H new ATOM 0 HB2 ASN A 94 4.575 3.436 -6.745 1.00 0.09 H new ATOM 0 HB3 ASN A 94 3.107 4.161 -7.371 1.00 0.09 H new ATOM 0 HD21 ASN A 94 6.111 6.527 -7.476 1.00 0.87 H new ATOM 0 HD22 ASN A 94 5.941 4.816 -7.882 1.00 0.87 H new ATOM 1417 N CYS A 95 1.827 5.707 -4.227 1.00 0.07 N ATOM 1418 CA CYS A 95 0.652 6.532 -4.086 1.00 0.07 C ATOM 1419 C CYS A 95 0.632 7.554 -5.208 1.00 0.08 C ATOM 1420 O CYS A 95 -0.410 7.848 -5.783 1.00 0.10 O ATOM 1421 CB CYS A 95 0.675 7.239 -2.732 1.00 0.09 C ATOM 1422 SG CYS A 95 1.719 8.708 -2.669 1.00 0.18 S ATOM 0 H CYS A 95 2.574 5.905 -3.561 1.00 0.07 H new ATOM 0 HA CYS A 95 -0.244 5.913 -4.140 1.00 0.07 H new ATOM 0 HB2 CYS A 95 -0.344 7.522 -2.467 1.00 0.09 H new ATOM 0 HB3 CYS A 95 1.017 6.534 -1.974 1.00 0.09 H new ATOM 0 HG CYS A 95 2.303 8.776 -1.510 1.00 0.18 H new ATOM 1428 N LYS A 96 1.817 8.029 -5.554 1.00 0.09 N ATOM 1429 CA LYS A 96 1.972 9.148 -6.458 1.00 0.10 C ATOM 1430 C LYS A 96 1.727 8.746 -7.899 1.00 0.11 C ATOM 1431 O LYS A 96 1.485 9.595 -8.760 1.00 0.17 O ATOM 1432 CB LYS A 96 3.363 9.742 -6.285 1.00 0.10 C ATOM 1433 CG LYS A 96 3.482 10.564 -5.043 1.00 0.11 C ATOM 1434 CD LYS A 96 2.929 11.950 -5.239 1.00 0.18 C ATOM 1435 CE LYS A 96 3.621 12.897 -4.298 1.00 0.22 C ATOM 1436 NZ LYS A 96 3.222 14.308 -4.529 1.00 0.31 N1+ ATOM 0 H LYS A 96 2.699 7.646 -5.213 1.00 0.09 H new ATOM 0 HA LYS A 96 1.223 9.901 -6.212 1.00 0.10 H new ATOM 0 HB2 LYS A 96 4.098 8.937 -6.256 1.00 0.10 H new ATOM 0 HB3 LYS A 96 3.601 10.360 -7.151 1.00 0.10 H new ATOM 0 HG2 LYS A 96 2.951 10.072 -4.228 1.00 0.11 H new ATOM 0 HG3 LYS A 96 4.529 10.628 -4.748 1.00 0.11 H new ATOM 0 HD2 LYS A 96 3.077 12.271 -6.270 1.00 0.18 H new ATOM 0 HD3 LYS A 96 1.855 11.955 -5.054 1.00 0.18 H new ATOM 0 HE2 LYS A 96 3.389 12.619 -3.270 1.00 0.22 H new ATOM 0 HE3 LYS A 96 4.700 12.802 -4.418 1.00 0.22 H new ATOM 0 HZ1 LYS A 96 3.723 14.925 -3.858 1.00 0.31 H new ATOM 0 HZ2 LYS A 96 3.467 14.583 -5.502 1.00 0.31 H new ATOM 0 HZ3 LYS A 96 2.196 14.406 -4.389 1.00 0.31 H new ATOM 1450 N THR A 97 1.794 7.456 -8.164 1.00 0.11 N ATOM 1451 CA THR A 97 1.561 6.962 -9.502 1.00 0.11 C ATOM 1452 C THR A 97 0.462 5.910 -9.506 1.00 0.11 C ATOM 1453 O THR A 97 -0.140 5.623 -10.544 1.00 0.12 O ATOM 1454 CB THR A 97 2.849 6.376 -10.096 1.00 0.12 C ATOM 1455 OG1 THR A 97 3.136 5.101 -9.511 1.00 0.11 O ATOM 1456 CG2 THR A 97 4.014 7.314 -9.834 1.00 0.15 C ATOM 0 H THR A 97 2.007 6.736 -7.473 1.00 0.11 H new ATOM 0 HA THR A 97 1.241 7.803 -10.118 1.00 0.11 H new ATOM 0 HB THR A 97 2.707 6.255 -11.170 1.00 0.12 H new ATOM 0 HG1 THR A 97 4.040 4.820 -9.766 1.00 0.11 H new ATOM 0 HG21 THR A 97 4.924 6.891 -10.259 1.00 0.15 H new ATOM 0 HG22 THR A 97 3.814 8.281 -10.296 1.00 0.15 H new ATOM 0 HG23 THR A 97 4.142 7.444 -8.759 1.00 0.15 H new ATOM 1464 N GLY A 98 0.204 5.335 -8.332 1.00 0.10 N ATOM 1465 CA GLY A 98 -0.792 4.300 -8.213 1.00 0.10 C ATOM 1466 C GLY A 98 -0.294 2.988 -8.781 1.00 0.10 C ATOM 1467 O GLY A 98 -1.075 2.076 -9.059 1.00 0.13 O ATOM 0 H GLY A 98 0.675 5.575 -7.460 1.00 0.10 H new ATOM 0 HA2 GLY A 98 -1.058 4.167 -7.164 1.00 0.10 H new ATOM 0 HA3 GLY A 98 -1.699 4.604 -8.735 1.00 0.10 H new ATOM 1471 N TYR A 99 1.019 2.908 -8.972 1.00 0.10 N ATOM 1472 CA TYR A 99 1.664 1.691 -9.404 1.00 0.12 C ATOM 1473 C TYR A 99 1.776 0.751 -8.222 1.00 0.09 C ATOM 1474 O TYR A 99 1.547 1.155 -7.089 1.00 0.09 O ATOM 1475 CB TYR A 99 3.053 2.016 -9.944 1.00 0.18 C ATOM 1476 CG TYR A 99 3.497 1.100 -11.054 1.00 0.33 C ATOM 1477 CD1 TYR A 99 2.988 1.257 -12.330 1.00 0.43 C ATOM 1478 CD2 TYR A 99 4.422 0.091 -10.830 1.00 0.48 C ATOM 1479 CE1 TYR A 99 3.385 0.432 -13.362 1.00 0.60 C ATOM 1480 CE2 TYR A 99 4.825 -0.742 -11.857 1.00 0.64 C ATOM 1481 CZ TYR A 99 4.304 -0.566 -13.122 1.00 0.69 C ATOM 1482 OH TYR A 99 4.705 -1.390 -14.151 1.00 0.85 O ATOM 0 H TYR A 99 1.659 3.690 -8.829 1.00 0.10 H new ATOM 0 HA TYR A 99 1.079 1.218 -10.193 1.00 0.12 H new ATOM 0 HB2 TYR A 99 3.061 3.044 -10.307 1.00 0.18 H new ATOM 0 HB3 TYR A 99 3.773 1.960 -9.128 1.00 0.18 H new ATOM 0 HD1 TYR A 99 2.268 2.038 -12.522 1.00 0.43 H new ATOM 0 HD2 TYR A 99 4.833 -0.046 -9.841 1.00 0.48 H new ATOM 0 HE1 TYR A 99 2.977 0.568 -14.353 1.00 0.60 H new ATOM 0 HE2 TYR A 99 5.544 -1.526 -11.670 1.00 0.64 H new ATOM 0 HH TYR A 99 5.357 -2.040 -13.815 1.00 0.85 H new ATOM 1492 N PHE A 100 2.124 -0.489 -8.477 1.00 0.10 N ATOM 1493 CA PHE A 100 2.300 -1.448 -7.406 1.00 0.09 C ATOM 1494 C PHE A 100 3.312 -2.515 -7.768 1.00 0.10 C ATOM 1495 O PHE A 100 3.362 -3.003 -8.898 1.00 0.13 O ATOM 1496 CB PHE A 100 0.963 -2.060 -6.985 1.00 0.10 C ATOM 1497 CG PHE A 100 0.129 -2.574 -8.123 1.00 0.13 C ATOM 1498 CD1 PHE A 100 -0.752 -1.731 -8.779 1.00 0.13 C ATOM 1499 CD2 PHE A 100 0.216 -3.895 -8.527 1.00 0.17 C ATOM 1500 CE1 PHE A 100 -1.529 -2.195 -9.822 1.00 0.16 C ATOM 1501 CE2 PHE A 100 -0.557 -4.364 -9.571 1.00 0.20 C ATOM 1502 CZ PHE A 100 -1.433 -3.513 -10.218 1.00 0.20 C ATOM 0 H PHE A 100 2.291 -0.859 -9.413 1.00 0.10 H new ATOM 0 HA PHE A 100 2.700 -0.908 -6.548 1.00 0.09 H new ATOM 0 HB2 PHE A 100 1.155 -2.879 -6.292 1.00 0.10 H new ATOM 0 HB3 PHE A 100 0.390 -1.310 -6.440 1.00 0.10 H new ATOM 0 HD1 PHE A 100 -0.832 -0.699 -8.471 1.00 0.13 H new ATOM 0 HD2 PHE A 100 0.895 -4.565 -8.021 1.00 0.17 H new ATOM 0 HE1 PHE A 100 -2.211 -1.527 -10.327 1.00 0.16 H new ATOM 0 HE2 PHE A 100 -0.477 -5.395 -9.882 1.00 0.20 H new ATOM 0 HZ PHE A 100 -2.041 -3.879 -11.032 1.00 0.20 H new ATOM 1512 N VAL A 101 4.122 -2.852 -6.786 1.00 0.08 N ATOM 1513 CA VAL A 101 5.229 -3.765 -6.967 1.00 0.09 C ATOM 1514 C VAL A 101 4.946 -5.069 -6.233 1.00 0.10 C ATOM 1515 O VAL A 101 4.447 -5.066 -5.110 1.00 0.12 O ATOM 1516 CB VAL A 101 6.557 -3.143 -6.453 1.00 0.10 C ATOM 1517 CG1 VAL A 101 6.606 -1.652 -6.744 1.00 0.12 C ATOM 1518 CG2 VAL A 101 6.762 -3.392 -4.968 1.00 0.10 C ATOM 0 H VAL A 101 4.029 -2.497 -5.834 1.00 0.08 H new ATOM 0 HA VAL A 101 5.339 -3.964 -8.033 1.00 0.09 H new ATOM 0 HB VAL A 101 7.368 -3.635 -6.990 1.00 0.10 H new ATOM 0 HG11 VAL A 101 7.545 -1.240 -6.375 1.00 0.12 H new ATOM 0 HG12 VAL A 101 6.536 -1.489 -7.819 1.00 0.12 H new ATOM 0 HG13 VAL A 101 5.772 -1.157 -6.247 1.00 0.12 H new ATOM 0 HG21 VAL A 101 7.702 -2.941 -4.650 1.00 0.10 H new ATOM 0 HG22 VAL A 101 5.939 -2.949 -4.408 1.00 0.10 H new ATOM 0 HG23 VAL A 101 6.793 -4.465 -4.780 1.00 0.10 H new ATOM 1528 N GLY A 102 5.251 -6.173 -6.873 1.00 0.11 N ATOM 1529 CA GLY A 102 5.014 -7.465 -6.264 1.00 0.16 C ATOM 1530 C GLY A 102 6.262 -7.994 -5.599 1.00 0.23 C ATOM 1531 O GLY A 102 7.285 -7.313 -5.565 1.00 0.49 O ATOM 0 H GLY A 102 5.660 -6.206 -7.807 1.00 0.11 H new ATOM 0 HA2 GLY A 102 4.214 -7.382 -5.528 1.00 0.16 H new ATOM 0 HA3 GLY A 102 4.676 -8.171 -7.023 1.00 0.16 H new ATOM 1535 N ASN A 103 6.193 -9.198 -5.062 1.00 0.28 N ATOM 1536 CA ASN A 103 7.365 -9.810 -4.454 1.00 0.34 C ATOM 1537 C ASN A 103 7.564 -11.223 -4.983 1.00 0.52 C ATOM 1538 O ASN A 103 8.195 -12.062 -4.337 1.00 1.18 O ATOM 1539 CB ASN A 103 7.255 -9.813 -2.920 1.00 0.57 C ATOM 1540 CG ASN A 103 6.173 -10.737 -2.387 1.00 0.56 C ATOM 1541 OD1 ASN A 103 5.173 -11.008 -3.054 1.00 1.18 O ATOM 1542 ND2 ASN A 103 6.364 -11.222 -1.170 1.00 0.52 N ATOM 0 H ASN A 103 5.348 -9.769 -5.033 1.00 0.28 H new ATOM 0 HA ASN A 103 8.237 -9.214 -4.725 1.00 0.34 H new ATOM 0 HB2 ASN A 103 8.215 -10.109 -2.496 1.00 0.57 H new ATOM 0 HB3 ASN A 103 7.055 -8.798 -2.577 1.00 0.57 H new ATOM 0 HD21 ASN A 103 5.670 -11.843 -0.754 1.00 0.52 H new ATOM 0 HD22 ASN A 103 7.205 -10.975 -0.649 1.00 0.52 H new ATOM 1549 N GLY A 104 7.015 -11.479 -6.167 1.00 1.34 N ATOM 1550 CA GLY A 104 7.228 -12.753 -6.823 1.00 1.58 C ATOM 1551 C GLY A 104 8.673 -12.915 -7.241 1.00 1.94 C ATOM 1552 O GLY A 104 9.238 -14.009 -7.166 1.00 2.58 O ATOM 0 H GLY A 104 6.426 -10.825 -6.683 1.00 1.34 H new ATOM 0 HA2 GLY A 104 6.948 -13.563 -6.150 1.00 1.58 H new ATOM 0 HA3 GLY A 104 6.582 -12.828 -7.698 1.00 1.58 H new ATOM 1556 N ALA A 105 9.268 -11.813 -7.681 1.00 2.18 N ATOM 1557 CA ALA A 105 10.682 -11.781 -8.013 1.00 2.72 C ATOM 1558 C ALA A 105 11.515 -11.843 -6.739 1.00 2.38 C ATOM 1559 O ALA A 105 11.178 -11.214 -5.731 1.00 2.80 O ATOM 1560 CB ALA A 105 11.001 -10.523 -8.806 1.00 3.51 C ATOM 0 H ALA A 105 8.786 -10.924 -7.816 1.00 2.18 H new ATOM 0 HA ALA A 105 10.927 -12.647 -8.628 1.00 2.72 H new ATOM 0 HB1 ALA A 105 12.063 -10.507 -9.051 1.00 3.51 H new ATOM 0 HB2 ALA A 105 10.416 -10.515 -9.726 1.00 3.51 H new ATOM 0 HB3 ALA A 105 10.753 -9.645 -8.210 1.00 3.51 H new ATOM 1566 N GLY A 106 12.601 -12.606 -6.794 1.00 2.15 N ATOM 1567 CA GLY A 106 13.413 -12.857 -5.618 1.00 2.11 C ATOM 1568 C GLY A 106 14.129 -11.622 -5.106 1.00 1.71 C ATOM 1569 O GLY A 106 14.571 -11.590 -3.957 1.00 2.30 O ATOM 0 H GLY A 106 12.936 -13.060 -7.643 1.00 2.15 H new ATOM 0 HA2 GLY A 106 12.779 -13.255 -4.826 1.00 2.11 H new ATOM 0 HA3 GLY A 106 14.150 -13.625 -5.852 1.00 2.11 H new ATOM 1573 N HIS A 107 14.253 -10.611 -5.952 1.00 1.52 N ATOM 1574 CA HIS A 107 14.897 -9.369 -5.560 1.00 1.72 C ATOM 1575 C HIS A 107 14.040 -8.169 -5.963 1.00 1.44 C ATOM 1576 O HIS A 107 13.330 -7.600 -5.132 1.00 1.91 O ATOM 1577 CB HIS A 107 16.300 -9.281 -6.176 1.00 2.56 C ATOM 1578 CG HIS A 107 17.082 -8.064 -5.772 1.00 3.15 C ATOM 1579 ND1 HIS A 107 17.622 -7.893 -4.515 1.00 3.92 N ATOM 1580 CD2 HIS A 107 17.423 -6.959 -6.476 1.00 3.70 C ATOM 1581 CE1 HIS A 107 18.260 -6.738 -4.464 1.00 4.69 C ATOM 1582 NE2 HIS A 107 18.154 -6.154 -5.641 1.00 4.59 N ATOM 0 H HIS A 107 13.916 -10.627 -6.914 1.00 1.52 H new ATOM 0 HA HIS A 107 15.001 -9.354 -4.475 1.00 1.72 H new ATOM 0 HB2 HIS A 107 16.864 -10.170 -5.893 1.00 2.56 H new ATOM 0 HB3 HIS A 107 16.208 -9.294 -7.262 1.00 2.56 H new ATOM 0 HD2 HIS A 107 17.167 -6.750 -7.504 1.00 3.70 H new ATOM 0 HE1 HIS A 107 18.780 -6.340 -3.605 1.00 4.69 H new ATOM 0 HE2 HIS A 107 18.552 -5.249 -5.890 1.00 4.59 H new ATOM 1591 N ALA A 108 14.072 -7.801 -7.237 1.00 0.96 N ATOM 1592 CA ALA A 108 13.355 -6.622 -7.692 1.00 0.74 C ATOM 1593 C ALA A 108 12.265 -6.968 -8.676 1.00 0.74 C ATOM 1594 O ALA A 108 12.522 -7.330 -9.823 1.00 0.95 O ATOM 1595 CB ALA A 108 14.300 -5.615 -8.317 1.00 0.75 C ATOM 0 H ALA A 108 14.583 -8.298 -7.967 1.00 0.96 H new ATOM 0 HA ALA A 108 12.892 -6.180 -6.810 1.00 0.74 H new ATOM 0 HB1 ALA A 108 13.736 -4.743 -8.648 1.00 0.75 H new ATOM 0 HB2 ALA A 108 15.043 -5.308 -7.581 1.00 0.75 H new ATOM 0 HB3 ALA A 108 14.802 -6.069 -9.172 1.00 0.75 H new ATOM 1601 N ASP A 109 11.044 -6.863 -8.199 1.00 0.65 N ATOM 1602 CA ASP A 109 9.878 -6.951 -9.047 1.00 0.72 C ATOM 1603 C ASP A 109 9.833 -5.767 -10.009 1.00 0.71 C ATOM 1604 O ASP A 109 9.999 -5.918 -11.216 1.00 0.84 O ATOM 1605 CB ASP A 109 8.646 -6.933 -8.164 1.00 0.74 C ATOM 1606 CG ASP A 109 7.361 -7.140 -8.939 1.00 1.42 C ATOM 1607 OD1 ASP A 109 6.692 -6.139 -9.272 1.00 2.21 O ATOM 1608 OD2 ASP A 109 7.007 -8.304 -9.206 1.00 1.59 O1- ATOM 0 H ASP A 109 10.833 -6.714 -7.212 1.00 0.65 H new ATOM 0 HA ASP A 109 9.916 -7.870 -9.631 1.00 0.72 H new ATOM 0 HB2 ASP A 109 8.737 -7.712 -7.407 1.00 0.74 H new ATOM 0 HB3 ASP A 109 8.597 -5.980 -7.637 1.00 0.74 H new ATOM 1613 N ASP A 110 9.595 -4.593 -9.439 1.00 0.62 N ATOM 1614 CA ASP A 110 9.572 -3.332 -10.179 1.00 0.66 C ATOM 1615 C ASP A 110 10.669 -2.431 -9.631 1.00 0.64 C ATOM 1616 O ASP A 110 10.877 -1.302 -10.074 1.00 0.78 O ATOM 1617 CB ASP A 110 8.197 -2.664 -10.025 1.00 0.68 C ATOM 1618 CG ASP A 110 8.095 -1.316 -10.722 1.00 1.43 C ATOM 1619 OD1 ASP A 110 8.147 -1.279 -11.969 1.00 1.49 O ATOM 1620 OD2 ASP A 110 7.940 -0.287 -10.024 1.00 2.37 O1- ATOM 0 H ASP A 110 9.411 -4.485 -8.442 1.00 0.62 H new ATOM 0 HA ASP A 110 9.746 -3.513 -11.240 1.00 0.66 H new ATOM 0 HB2 ASP A 110 7.432 -3.329 -10.425 1.00 0.68 H new ATOM 0 HB3 ASP A 110 7.983 -2.533 -8.964 1.00 0.68 H new ATOM 1625 N LEU A 111 11.379 -2.974 -8.660 1.00 0.56 N ATOM 1626 CA LEU A 111 12.277 -2.197 -7.821 1.00 0.60 C ATOM 1627 C LEU A 111 13.518 -1.743 -8.562 1.00 0.75 C ATOM 1628 O LEU A 111 13.998 -2.398 -9.485 1.00 0.81 O ATOM 1629 CB LEU A 111 12.684 -3.008 -6.595 1.00 0.58 C ATOM 1630 CG LEU A 111 11.695 -3.015 -5.421 1.00 0.47 C ATOM 1631 CD1 LEU A 111 10.289 -2.630 -5.859 1.00 0.51 C ATOM 1632 CD2 LEU A 111 11.670 -4.386 -4.771 1.00 0.55 C ATOM 0 H LEU A 111 11.351 -3.967 -8.429 1.00 0.56 H new ATOM 0 HA LEU A 111 11.731 -1.304 -7.515 1.00 0.60 H new ATOM 0 HB2 LEU A 111 12.850 -4.039 -6.907 1.00 0.58 H new ATOM 0 HB3 LEU A 111 13.639 -2.626 -6.235 1.00 0.58 H new ATOM 0 HG LEU A 111 12.036 -2.271 -4.702 1.00 0.47 H new ATOM 0 HD11 LEU A 111 9.622 -2.648 -4.997 1.00 0.51 H new ATOM 0 HD12 LEU A 111 10.303 -1.627 -6.287 1.00 0.51 H new ATOM 0 HD13 LEU A 111 9.934 -3.339 -6.607 1.00 0.51 H new ATOM 0 HD21 LEU A 111 10.966 -4.381 -3.939 1.00 0.55 H new ATOM 0 HD22 LEU A 111 11.361 -5.131 -5.504 1.00 0.55 H new ATOM 0 HD23 LEU A 111 12.666 -4.632 -4.402 1.00 0.55 H new ATOM 1644 N ASP A 112 14.024 -0.614 -8.115 1.00 0.86 N ATOM 1645 CA ASP A 112 15.230 -0.013 -8.668 1.00 1.05 C ATOM 1646 C ASP A 112 15.994 0.676 -7.543 1.00 1.03 C ATOM 1647 O ASP A 112 17.073 1.238 -7.732 1.00 1.16 O ATOM 1648 CB ASP A 112 14.851 0.986 -9.761 1.00 1.26 C ATOM 1649 CG ASP A 112 16.049 1.570 -10.482 1.00 1.52 C ATOM 1650 OD1 ASP A 112 16.621 0.875 -11.347 1.00 1.68 O ATOM 1651 OD2 ASP A 112 16.415 2.733 -10.204 1.00 1.61 O1- ATOM 0 H ASP A 112 13.611 -0.079 -7.351 1.00 0.86 H new ATOM 0 HA ASP A 112 15.865 -0.779 -9.113 1.00 1.05 H new ATOM 0 HB2 ASP A 112 14.205 0.492 -10.486 1.00 1.26 H new ATOM 0 HB3 ASP A 112 14.272 1.796 -9.318 1.00 1.26 H new ATOM 1656 N TYR A 113 15.419 0.584 -6.354 1.00 0.96 N ATOM 1657 CA TYR A 113 15.912 1.273 -5.183 1.00 1.04 C ATOM 1658 C TYR A 113 16.273 0.273 -4.092 1.00 1.23 C ATOM 1659 O TYR A 113 17.397 -0.269 -4.134 1.00 1.72 O ATOM 1660 CB TYR A 113 14.845 2.245 -4.693 1.00 0.90 C ATOM 1661 CG TYR A 113 13.446 1.897 -5.166 1.00 1.26 C ATOM 1662 CD1 TYR A 113 12.720 0.886 -4.548 1.00 2.09 C ATOM 1663 CD2 TYR A 113 12.839 2.596 -6.204 1.00 1.41 C ATOM 1664 CE1 TYR A 113 11.436 0.581 -4.948 1.00 2.87 C ATOM 1665 CE2 TYR A 113 11.556 2.291 -6.613 1.00 2.14 C ATOM 1666 CZ TYR A 113 10.906 1.237 -6.084 1.00 2.88 C ATOM 1667 OH TYR A 113 9.571 0.995 -6.368 1.00 3.71 O ATOM 1668 OXT TYR A 113 15.428 0.012 -3.210 1.00 1.79 O ATOM 0 H TYR A 113 14.587 0.021 -6.178 1.00 0.96 H new ATOM 0 HA TYR A 113 16.814 1.829 -5.438 1.00 1.04 H new ATOM 0 HB2 TYR A 113 14.857 2.266 -3.603 1.00 0.90 H new ATOM 0 HB3 TYR A 113 15.096 3.250 -5.034 1.00 0.90 H new ATOM 0 HD1 TYR A 113 13.170 0.329 -3.739 1.00 2.09 H new ATOM 0 HD2 TYR A 113 13.380 3.390 -6.698 1.00 1.41 H new ATOM 0 HE1 TYR A 113 10.847 -0.144 -4.405 1.00 2.87 H new ATOM 0 HE2 TYR A 113 11.071 2.901 -7.361 1.00 2.14 H new ATOM 0 HH TYR A 113 9.028 1.188 -5.575 1.00 3.71 H new TER 1678 TYR A 113