USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1016 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 122 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 125 HIS : no HE2:sc= -0.718 K(o=-2.1,f=-2.7!) USER MOD Set 1.3: A 126 GLN : amide:sc= -1.37 K(o=-2.1,f=-5.6) USER MOD Set 2.1: A 47 GLN : amide:sc= -2.15 X(o=-2.9,f=-2.8) USER MOD Set 2.2: A 100 MET CE :methyl -152:sc= -0.8 (180deg=-3.43!) USER MOD Set 3.1: A 78 LYS NZ :NH3+ -124:sc= -1.62 (180deg=-4.13!) USER MOD Set 3.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 69 CYS SG : rot -12:sc= -4.06! USER MOD Set 4.2: A 107 ASN : amide:sc= -2.65! C(o=-6.7!,f=-13!) USER MOD Set 5.1: A 55 THR OG1 : rot 180:sc=0.000422 USER MOD Set 5.2: A 56 GLN : amide:sc= -4.12! C(o=-4.1!,f=-9.4!) USER MOD Set 6.1: A 52 ASN : amide:sc= -4.17! C(o=-8!,f=-14!) USER MOD Set 6.2: A 54 THR OG1 : rot 4:sc= -2.14 USER MOD Set 6.3: A 59 MET CE :methyl 168:sc= -1.7 (180deg=0) USER MOD Set 7.1: A 20 THR OG1 : rot 170:sc= -0.02 USER MOD Set 7.2: A 98 THR OG1 : rot 139:sc= 0.493 USER MOD Set 8.1: A 9 ASN : amide:sc= -2.7! C(o=-3.9!,f=-9.2!) USER MOD Set 8.2: A 11 SER OG : rot 87:sc= -1.17 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.189 (180deg=-1.48!) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.277) USER MOD Single : A 3 CYS SG : rot -9:sc= 0.395 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.2! C(o=-6.3!,f=-2.2!) USER MOD Single : A 27 THR OG1 : rot -120:sc= -0.32 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.0281 (180deg=-0.378) USER MOD Single : A 34 ASN : amide:sc= -2.41! C(o=-2.4!,f=-8.2!) USER MOD Single : A 42 ASN : amide:sc= -2.09 K(o=-2.1,f=-11!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.927 (180deg=-1.64) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= -0.331 (180deg=-1.63!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 151:sc= 0.668 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -4.49 K(o=-4.5,f=-10!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.15) USER MOD Single : A 72 LYS NZ :NH3+ -109:sc= 0.94 (180deg=-2.3) USER MOD Single : A 76 LYS NZ :NH3+ -109:sc= -2.37 (180deg=-4.93!) USER MOD Single : A 77 THR OG1 : rot 140:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.17 K(o=-1.2,f=-1.9!) USER MOD Single : A 82 GLN : amide:sc= -1.31 X(o=-1.3,f=-0.91) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.69 F(o=-12!,f=-3.7) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.405 USER MOD Single : A 96 CYS SG : rot -16:sc= -0.598 USER MOD Single : A 110 LYS NZ :NH3+ -159:sc= -1.11 (180deg=-1.74) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 172:sc= -0.219 (180deg=-0.226) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 129 LYS NZ :NH3+ -120:sc= -1.31 (180deg=-3.48!) USER MOD Single : A 131 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.483) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.420 -30.314 16.537 1.00 0.00 N ATOM 2 CA MET A 1 -8.110 -29.908 15.954 1.00 0.00 C ATOM 3 C MET A 1 -8.350 -29.121 14.669 1.00 0.00 C ATOM 4 O MET A 1 -8.344 -29.685 13.575 1.00 0.00 O ATOM 5 CB MET A 1 -7.278 -31.157 15.654 1.00 0.00 C ATOM 6 CG MET A 1 -6.940 -31.872 16.963 1.00 0.00 C ATOM 7 SD MET A 1 -5.789 -33.229 16.630 1.00 0.00 S ATOM 8 CE MET A 1 -6.870 -34.177 15.532 1.00 0.00 C ATOM 0 H1 MET A 1 -9.280 -30.636 17.516 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.070 -29.502 16.529 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.826 -31.088 15.973 1.00 0.00 H new ATOM 0 HA MET A 1 -7.570 -29.280 16.663 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.831 -31.826 14.995 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.362 -30.880 15.132 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.497 -31.170 17.669 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.849 -32.257 17.425 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.545 -35.217 15.510 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.896 -34.125 15.897 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.822 -33.761 14.526 1.00 0.00 H new ATOM 18 N GLY A 2 -8.560 -27.817 14.810 1.00 0.00 N ATOM 19 CA GLY A 2 -8.800 -26.962 13.654 1.00 0.00 C ATOM 20 C GLY A 2 -7.530 -26.799 12.825 1.00 0.00 C ATOM 21 O GLY A 2 -6.422 -26.808 13.360 1.00 0.00 O ATOM 0 H GLY A 2 -8.569 -27.332 15.707 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.589 -27.391 13.037 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.150 -25.985 13.986 1.00 0.00 H new ATOM 25 N CYS A 3 -7.700 -26.651 11.515 1.00 0.00 N ATOM 26 CA CYS A 3 -6.559 -26.487 10.621 1.00 0.00 C ATOM 27 C CYS A 3 -5.780 -25.224 10.973 1.00 0.00 C ATOM 28 O CYS A 3 -4.558 -25.178 10.828 1.00 0.00 O ATOM 29 CB CYS A 3 -7.041 -26.405 9.171 1.00 0.00 C ATOM 30 SG CYS A 3 -5.654 -25.948 8.100 1.00 0.00 S ATOM 0 H CYS A 3 -8.609 -26.641 11.052 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.902 -27.349 10.737 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.455 -27.364 8.859 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.840 -25.669 9.083 1.00 0.00 H new ATOM 0 HG CYS A 3 -4.630 -25.620 8.832 1.00 0.00 H new ATOM 36 N GLY A 4 -6.495 -24.203 11.434 1.00 0.00 N ATOM 37 CA GLY A 4 -5.858 -22.943 11.802 1.00 0.00 C ATOM 38 C GLY A 4 -5.100 -23.081 13.118 1.00 0.00 C ATOM 39 O GLY A 4 -5.025 -22.136 13.904 1.00 0.00 O ATOM 0 H GLY A 4 -7.507 -24.222 11.561 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.172 -22.634 11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.613 -22.162 11.893 1.00 0.00 H new ATOM 43 N ALA A 5 -4.538 -24.263 13.351 1.00 0.00 N ATOM 44 CA ALA A 5 -3.786 -24.512 14.575 1.00 0.00 C ATOM 45 C ALA A 5 -2.570 -23.594 14.652 1.00 0.00 C ATOM 46 O ALA A 5 -2.131 -23.219 15.739 1.00 0.00 O ATOM 47 CB ALA A 5 -3.330 -25.971 14.621 1.00 0.00 C ATOM 0 H ALA A 5 -4.588 -25.058 12.714 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.436 -24.308 15.426 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.769 -26.148 15.539 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.201 -26.625 14.596 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.694 -26.181 13.761 1.00 0.00 H new ATOM 53 N SER A 6 -2.029 -23.238 13.492 1.00 0.00 N ATOM 54 CA SER A 6 -0.863 -22.364 13.440 1.00 0.00 C ATOM 55 C SER A 6 -1.200 -21.062 12.721 1.00 0.00 C ATOM 56 O SER A 6 -2.030 -21.041 11.811 1.00 0.00 O ATOM 57 CB SER A 6 0.284 -23.067 12.714 1.00 0.00 C ATOM 58 OG SER A 6 0.588 -24.283 13.384 1.00 0.00 O ATOM 0 H SER A 6 -2.376 -23.539 12.581 1.00 0.00 H new ATOM 0 HA SER A 6 -0.560 -22.134 14.461 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.006 -23.268 11.679 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.163 -22.423 12.689 1.00 0.00 H new ATOM 0 HG SER A 6 1.322 -24.737 12.920 1.00 0.00 H new ATOM 64 N SER A 7 -0.552 -19.978 13.134 1.00 0.00 N ATOM 65 CA SER A 7 -0.791 -18.676 12.521 1.00 0.00 C ATOM 66 C SER A 7 0.181 -18.441 11.368 1.00 0.00 C ATOM 67 O SER A 7 1.329 -18.882 11.413 1.00 0.00 O ATOM 68 CB SER A 7 -0.626 -17.570 13.563 1.00 0.00 C ATOM 69 OG SER A 7 -0.938 -16.317 12.971 1.00 0.00 O ATOM 0 H SER A 7 0.138 -19.974 13.885 1.00 0.00 H new ATOM 0 HA SER A 7 -1.809 -18.659 12.133 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.281 -17.756 14.414 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.396 -17.562 13.943 1.00 0.00 H new ATOM 0 HG SER A 7 -0.835 -15.606 13.637 1.00 0.00 H new ATOM 75 N GLU A 8 -0.289 -17.745 10.339 1.00 0.00 N ATOM 76 CA GLU A 8 0.548 -17.457 9.179 1.00 0.00 C ATOM 77 C GLU A 8 1.035 -16.012 9.215 1.00 0.00 C ATOM 78 O GLU A 8 0.481 -15.178 9.932 1.00 0.00 O ATOM 79 CB GLU A 8 -0.243 -17.699 7.891 1.00 0.00 C ATOM 80 CG GLU A 8 -1.655 -17.131 8.044 1.00 0.00 C ATOM 81 CD GLU A 8 -2.504 -18.064 8.901 1.00 0.00 C ATOM 82 OE1 GLU A 8 -2.065 -19.176 9.143 1.00 0.00 O ATOM 83 OE2 GLU A 8 -3.579 -17.653 9.303 1.00 0.00 O ATOM 0 H GLU A 8 -1.237 -17.372 10.283 1.00 0.00 H new ATOM 0 HA GLU A 8 1.412 -18.121 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.261 -17.226 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.290 -18.767 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.610 -16.143 8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.114 -17.007 7.063 1.00 0.00 H new ATOM 90 N ASN A 9 2.074 -15.724 8.438 1.00 0.00 N ATOM 91 CA ASN A 9 2.628 -14.376 8.390 1.00 0.00 C ATOM 92 C ASN A 9 1.785 -13.481 7.486 1.00 0.00 C ATOM 93 O ASN A 9 1.132 -13.959 6.558 1.00 0.00 O ATOM 94 CB ASN A 9 4.065 -14.420 7.869 1.00 0.00 C ATOM 95 CG ASN A 9 4.074 -14.825 6.399 1.00 0.00 C ATOM 96 OD1 ASN A 9 3.069 -15.311 5.882 1.00 0.00 O ATOM 97 ND2 ASN A 9 5.158 -14.654 5.691 1.00 0.00 N ATOM 0 H ASN A 9 2.546 -16.400 7.837 1.00 0.00 H new ATOM 0 HA ASN A 9 2.620 -13.965 9.399 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.534 -13.443 7.989 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.651 -15.129 8.454 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.172 -14.924 4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.990 -14.251 6.122 1.00 0.00 H new ATOM 104 N SER A 10 1.803 -12.182 7.764 1.00 0.00 N ATOM 105 CA SER A 10 1.035 -11.230 6.970 1.00 0.00 C ATOM 106 C SER A 10 1.525 -11.218 5.525 1.00 0.00 C ATOM 107 O SER A 10 0.769 -10.907 4.605 1.00 0.00 O ATOM 108 CB SER A 10 1.166 -9.828 7.566 1.00 0.00 C ATOM 109 OG SER A 10 2.503 -9.372 7.406 1.00 0.00 O ATOM 0 H SER A 10 2.337 -11.766 8.527 1.00 0.00 H new ATOM 0 HA SER A 10 -0.011 -11.535 6.984 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.475 -9.145 7.072 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.899 -9.843 8.623 1.00 0.00 H new ATOM 0 HG SER A 10 2.590 -8.473 7.786 1.00 0.00 H new ATOM 115 N SER A 11 2.796 -11.559 5.333 1.00 0.00 N ATOM 116 CA SER A 11 3.377 -11.583 3.997 1.00 0.00 C ATOM 117 C SER A 11 3.017 -10.313 3.233 1.00 0.00 C ATOM 118 O SER A 11 2.494 -9.359 3.809 1.00 0.00 O ATOM 119 CB SER A 11 2.871 -12.804 3.228 1.00 0.00 C ATOM 120 OG SER A 11 3.234 -13.984 3.931 1.00 0.00 O ATOM 0 H SER A 11 3.438 -11.821 6.081 1.00 0.00 H new ATOM 0 HA SER A 11 4.461 -11.640 4.095 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.788 -12.753 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.297 -12.819 2.225 1.00 0.00 H new ATOM 0 HG SER A 11 2.542 -14.197 4.592 1.00 0.00 H new ATOM 126 N VAL A 12 3.300 -10.309 1.935 1.00 0.00 N ATOM 127 CA VAL A 12 3.001 -9.149 1.102 1.00 0.00 C ATOM 128 C VAL A 12 2.335 -9.583 -0.200 1.00 0.00 C ATOM 129 O VAL A 12 2.676 -10.621 -0.767 1.00 0.00 O ATOM 130 CB VAL A 12 4.288 -8.385 0.790 1.00 0.00 C ATOM 131 CG1 VAL A 12 3.939 -7.005 0.230 1.00 0.00 C ATOM 132 CG2 VAL A 12 5.107 -8.221 2.072 1.00 0.00 C ATOM 0 H VAL A 12 3.732 -11.089 1.440 1.00 0.00 H new ATOM 0 HA VAL A 12 2.317 -8.499 1.648 1.00 0.00 H new ATOM 0 HB VAL A 12 4.870 -8.940 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.856 -6.460 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.355 -7.120 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.357 -6.450 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.025 -7.676 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.524 -7.666 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.356 -9.204 2.473 1.00 0.00 H new ATOM 142 N THR A 13 1.383 -8.782 -0.668 1.00 0.00 N ATOM 143 CA THR A 13 0.676 -9.094 -1.905 1.00 0.00 C ATOM 144 C THR A 13 0.618 -7.871 -2.814 1.00 0.00 C ATOM 145 O THR A 13 0.589 -6.735 -2.342 1.00 0.00 O ATOM 146 CB THR A 13 -0.745 -9.566 -1.588 1.00 0.00 C ATOM 147 OG1 THR A 13 -1.342 -10.089 -2.768 1.00 0.00 O ATOM 148 CG2 THR A 13 -1.573 -8.387 -1.075 1.00 0.00 C ATOM 0 H THR A 13 1.085 -7.919 -0.214 1.00 0.00 H new ATOM 0 HA THR A 13 1.217 -9.888 -2.420 1.00 0.00 H new ATOM 0 HB THR A 13 -0.709 -10.342 -0.823 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.252 -10.394 -2.567 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.585 -8.724 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.114 -7.986 -0.171 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.611 -7.610 -1.838 1.00 0.00 H new ATOM 156 N TYR A 14 0.596 -8.114 -4.120 1.00 0.00 N ATOM 157 CA TYR A 14 0.535 -7.026 -5.090 1.00 0.00 C ATOM 158 C TYR A 14 -0.559 -7.289 -6.119 1.00 0.00 C ATOM 159 O TYR A 14 -1.132 -8.377 -6.164 1.00 0.00 O ATOM 160 CB TYR A 14 1.883 -6.881 -5.799 1.00 0.00 C ATOM 161 CG TYR A 14 2.961 -6.590 -4.782 1.00 0.00 C ATOM 162 CD1 TYR A 14 2.911 -5.410 -4.029 1.00 0.00 C ATOM 163 CD2 TYR A 14 4.006 -7.498 -4.591 1.00 0.00 C ATOM 164 CE1 TYR A 14 3.910 -5.140 -3.086 1.00 0.00 C ATOM 165 CE2 TYR A 14 5.005 -7.229 -3.648 1.00 0.00 C ATOM 166 CZ TYR A 14 4.957 -6.049 -2.896 1.00 0.00 C ATOM 167 OH TYR A 14 5.941 -5.783 -1.966 1.00 0.00 O ATOM 0 H TYR A 14 0.619 -9.048 -4.530 1.00 0.00 H new ATOM 0 HA TYR A 14 0.305 -6.102 -4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.119 -7.795 -6.343 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.835 -6.077 -6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.103 -4.709 -4.176 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.043 -8.408 -5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.873 -4.230 -2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.812 -7.931 -3.501 1.00 0.00 H new ATOM 0 HH TYR A 14 6.591 -6.516 -1.959 1.00 0.00 H new ATOM 177 N VAL A 15 -0.844 -6.287 -6.944 1.00 0.00 N ATOM 178 CA VAL A 15 -1.878 -6.423 -7.963 1.00 0.00 C ATOM 179 C VAL A 15 -1.440 -5.758 -9.264 1.00 0.00 C ATOM 180 O VAL A 15 -1.390 -6.400 -10.314 1.00 0.00 O ATOM 181 CB VAL A 15 -3.179 -5.783 -7.475 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.859 -4.675 -6.469 1.00 0.00 C ATOM 183 CG2 VAL A 15 -3.930 -5.186 -8.668 1.00 0.00 C ATOM 0 H VAL A 15 -0.378 -5.380 -6.928 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.041 -7.485 -8.148 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.799 -6.540 -6.995 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.787 -4.220 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.323 -5.098 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.240 -3.917 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.858 -4.729 -8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.309 -4.429 -9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.159 -5.974 -9.385 1.00 0.00 H new ATOM 193 N ASN A 16 -1.125 -4.469 -9.188 1.00 0.00 N ATOM 194 CA ASN A 16 -0.713 -3.722 -10.371 1.00 0.00 C ATOM 195 C ASN A 16 0.624 -4.236 -10.893 1.00 0.00 C ATOM 196 O ASN A 16 0.913 -4.140 -12.086 1.00 0.00 O ATOM 197 CB ASN A 16 -0.595 -2.235 -10.034 1.00 0.00 C ATOM 198 CG ASN A 16 -1.962 -1.677 -9.650 1.00 0.00 C ATOM 199 OD1 ASN A 16 -2.098 -1.022 -8.530 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.931 -1.844 -10.391 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.147 -3.923 -8.327 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.468 -3.860 -11.145 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.108 -2.094 -9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.198 -1.690 -10.890 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.822 -2.357 -11.266 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.843 -1.470 -10.130 1.00 0.00 H new ATOM 207 N GLY A 17 1.436 -4.781 -9.994 1.00 0.00 N ATOM 208 CA GLY A 17 2.741 -5.307 -10.377 1.00 0.00 C ATOM 209 C GLY A 17 3.625 -5.515 -9.152 1.00 0.00 C ATOM 210 O GLY A 17 3.282 -5.093 -8.048 1.00 0.00 O ATOM 0 H GLY A 17 1.216 -4.870 -9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.616 -6.252 -10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.227 -4.618 -11.068 1.00 0.00 H new ATOM 214 N ARG A 18 4.765 -6.168 -9.356 1.00 0.00 N ATOM 215 CA ARG A 18 5.691 -6.428 -8.260 1.00 0.00 C ATOM 216 C ARG A 18 6.715 -5.303 -8.146 1.00 0.00 C ATOM 217 O ARG A 18 7.074 -4.673 -9.141 1.00 0.00 O ATOM 218 CB ARG A 18 6.412 -7.758 -8.491 1.00 0.00 C ATOM 219 CG ARG A 18 5.435 -8.773 -9.084 1.00 0.00 C ATOM 220 CD ARG A 18 4.437 -9.211 -8.009 1.00 0.00 C ATOM 221 NE ARG A 18 5.145 -9.762 -6.859 1.00 0.00 N ATOM 222 CZ ARG A 18 5.513 -11.039 -6.826 1.00 0.00 C ATOM 223 NH1 ARG A 18 5.242 -11.822 -7.835 1.00 0.00 N ATOM 224 NH2 ARG A 18 6.144 -11.509 -5.786 1.00 0.00 N ATOM 0 H ARG A 18 5.068 -6.524 -10.263 1.00 0.00 H new ATOM 0 HA ARG A 18 5.122 -6.480 -7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.256 -7.614 -9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.816 -8.133 -7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.905 -8.333 -9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.979 -9.638 -9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.830 -8.361 -7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.756 -9.957 -8.417 1.00 0.00 H new ATOM 0 HE ARG A 18 5.361 -9.157 -6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.748 -11.454 -8.648 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.524 -12.802 -7.810 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.355 -10.897 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.426 -12.489 -5.761 1.00 0.00 H new ATOM 238 N PRO A 19 7.184 -5.045 -6.955 1.00 0.00 N ATOM 239 CA PRO A 19 8.208 -3.994 -6.701 1.00 0.00 C ATOM 240 C PRO A 19 9.583 -4.385 -7.239 1.00 0.00 C ATOM 241 O PRO A 19 10.045 -5.506 -7.030 1.00 0.00 O ATOM 242 CB PRO A 19 8.230 -3.877 -5.178 1.00 0.00 C ATOM 243 CG PRO A 19 7.749 -5.196 -4.668 1.00 0.00 C ATOM 244 CD PRO A 19 6.772 -5.750 -5.709 1.00 0.00 C ATOM 0 HA PRO A 19 7.968 -3.057 -7.203 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.235 -3.659 -4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.586 -3.066 -4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.585 -5.880 -4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.258 -5.080 -3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.858 -6.832 -5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.736 -5.535 -5.446 1.00 0.00 H new ATOM 252 N THR A 20 10.228 -3.453 -7.931 1.00 0.00 N ATOM 253 CA THR A 20 11.546 -3.711 -8.501 1.00 0.00 C ATOM 254 C THR A 20 12.599 -3.787 -7.400 1.00 0.00 C ATOM 255 O THR A 20 13.703 -4.287 -7.616 1.00 0.00 O ATOM 256 CB THR A 20 11.915 -2.602 -9.487 1.00 0.00 C ATOM 257 OG1 THR A 20 12.161 -1.398 -8.773 1.00 0.00 O ATOM 258 CG2 THR A 20 10.765 -2.387 -10.472 1.00 0.00 C ATOM 0 H THR A 20 9.863 -2.518 -8.110 1.00 0.00 H new ATOM 0 HA THR A 20 11.514 -4.666 -9.025 1.00 0.00 H new ATOM 0 HB THR A 20 12.811 -2.889 -10.037 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.551 -0.733 -9.378 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.030 -1.596 -11.174 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.578 -3.311 -11.020 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.866 -2.101 -9.925 1.00 0.00 H new ATOM 266 N PHE A 21 12.248 -3.289 -6.218 1.00 0.00 N ATOM 267 CA PHE A 21 13.171 -3.306 -5.089 1.00 0.00 C ATOM 268 C PHE A 21 12.597 -4.132 -3.942 1.00 0.00 C ATOM 269 O PHE A 21 11.386 -4.151 -3.724 1.00 0.00 O ATOM 270 CB PHE A 21 13.433 -1.876 -4.609 1.00 0.00 C ATOM 271 CG PHE A 21 14.507 -1.889 -3.547 1.00 0.00 C ATOM 272 CD1 PHE A 21 15.856 -1.811 -3.916 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.155 -1.980 -2.196 1.00 0.00 C ATOM 274 CE1 PHE A 21 16.852 -1.823 -2.932 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.150 -1.992 -1.212 1.00 0.00 C ATOM 276 CZ PHE A 21 16.499 -1.914 -1.580 1.00 0.00 C ATOM 0 H PHE A 21 11.339 -2.872 -6.018 1.00 0.00 H new ATOM 0 HA PHE A 21 14.108 -3.758 -5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.743 -1.251 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.517 -1.442 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.128 -1.742 -4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.115 -2.041 -1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 21 17.892 -1.762 -3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.878 -2.061 -0.169 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.267 -1.924 -0.821 1.00 0.00 H new ATOM 286 N VAL A 22 13.474 -4.815 -3.213 1.00 0.00 N ATOM 287 CA VAL A 22 13.042 -5.638 -2.090 1.00 0.00 C ATOM 288 C VAL A 22 13.981 -5.460 -0.902 1.00 0.00 C ATOM 289 O VAL A 22 14.987 -4.757 -0.993 1.00 0.00 O ATOM 290 CB VAL A 22 13.013 -7.111 -2.503 1.00 0.00 C ATOM 291 CG1 VAL A 22 14.443 -7.611 -2.717 1.00 0.00 C ATOM 292 CG2 VAL A 22 12.346 -7.937 -1.400 1.00 0.00 C ATOM 0 H VAL A 22 14.481 -4.815 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 22 12.041 -5.323 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 22 12.449 -7.216 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.421 -8.660 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.920 -7.024 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.008 -7.505 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.325 -8.986 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.911 -7.831 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.327 -7.583 -1.246 1.00 0.00 H new ATOM 302 N GLY A 23 13.646 -6.101 0.213 1.00 0.00 N ATOM 303 CA GLY A 23 14.464 -6.000 1.416 1.00 0.00 C ATOM 304 C GLY A 23 14.168 -7.147 2.375 1.00 0.00 C ATOM 305 O GLY A 23 14.517 -8.296 2.109 1.00 0.00 O ATOM 0 H GLY A 23 12.820 -6.692 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.520 -6.011 1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.273 -5.048 1.912 1.00 0.00 H new ATOM 309 N GLU A 24 13.522 -6.827 3.492 1.00 0.00 N ATOM 310 CA GLU A 24 13.184 -7.842 4.484 1.00 0.00 C ATOM 311 C GLU A 24 11.899 -7.469 5.216 1.00 0.00 C ATOM 312 O GLU A 24 10.905 -8.193 5.153 1.00 0.00 O ATOM 313 CB GLU A 24 14.325 -7.986 5.493 1.00 0.00 C ATOM 314 CG GLU A 24 14.052 -9.183 6.406 1.00 0.00 C ATOM 315 CD GLU A 24 15.156 -9.303 7.451 1.00 0.00 C ATOM 316 OE1 GLU A 24 16.055 -8.479 7.432 1.00 0.00 O ATOM 317 OE2 GLU A 24 15.085 -10.219 8.255 1.00 0.00 O ATOM 0 H GLU A 24 13.224 -5.881 3.732 1.00 0.00 H new ATOM 0 HA GLU A 24 13.033 -8.791 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.272 -8.123 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.417 -7.076 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.086 -9.064 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.998 -10.097 5.815 1.00 0.00 H new ATOM 324 N GLU A 25 11.926 -6.336 5.910 1.00 0.00 N ATOM 325 CA GLU A 25 10.753 -5.871 6.641 1.00 0.00 C ATOM 326 C GLU A 25 9.873 -5.006 5.745 1.00 0.00 C ATOM 327 O GLU A 25 10.248 -3.892 5.379 1.00 0.00 O ATOM 328 CB GLU A 25 11.186 -5.065 7.866 1.00 0.00 C ATOM 329 CG GLU A 25 9.958 -4.721 8.712 1.00 0.00 C ATOM 330 CD GLU A 25 10.372 -3.881 9.915 1.00 0.00 C ATOM 331 OE1 GLU A 25 11.547 -3.568 10.017 1.00 0.00 O ATOM 332 OE2 GLU A 25 9.508 -3.563 10.716 1.00 0.00 O ATOM 0 H GLU A 25 12.741 -5.727 5.982 1.00 0.00 H new ATOM 0 HA GLU A 25 10.181 -6.741 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.899 -5.638 8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.692 -4.152 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.232 -4.175 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.470 -5.636 9.048 1.00 0.00 H new ATOM 339 N VAL A 26 8.700 -5.524 5.396 1.00 0.00 N ATOM 340 CA VAL A 26 7.778 -4.793 4.536 1.00 0.00 C ATOM 341 C VAL A 26 6.555 -4.337 5.325 1.00 0.00 C ATOM 342 O VAL A 26 6.017 -5.085 6.142 1.00 0.00 O ATOM 343 CB VAL A 26 7.335 -5.679 3.371 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.659 -4.818 2.304 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.559 -6.373 2.766 1.00 0.00 C ATOM 0 H VAL A 26 8.367 -6.441 5.693 1.00 0.00 H new ATOM 0 HA VAL A 26 8.294 -3.915 4.148 1.00 0.00 H new ATOM 0 HB VAL A 26 6.631 -6.429 3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.343 -5.449 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.789 -4.322 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.362 -4.068 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.245 -7.005 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.262 -5.622 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.042 -6.986 3.526 1.00 0.00 H new ATOM 355 N THR A 27 6.122 -3.106 5.076 1.00 0.00 N ATOM 356 CA THR A 27 4.961 -2.560 5.770 1.00 0.00 C ATOM 357 C THR A 27 4.078 -1.779 4.801 1.00 0.00 C ATOM 358 O THR A 27 4.494 -1.462 3.687 1.00 0.00 O ATOM 359 CB THR A 27 5.417 -1.638 6.903 1.00 0.00 C ATOM 360 OG1 THR A 27 6.812 -1.396 6.783 1.00 0.00 O ATOM 361 CG2 THR A 27 5.127 -2.302 8.251 1.00 0.00 C ATOM 0 H THR A 27 6.553 -2.471 4.404 1.00 0.00 H new ATOM 0 HA THR A 27 4.385 -3.387 6.184 1.00 0.00 H new ATOM 0 HB THR A 27 4.878 -0.693 6.842 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.269 -1.709 7.591 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.452 -1.645 9.058 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.057 -2.487 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.665 -3.248 8.314 1.00 0.00 H new ATOM 369 N LYS A 28 2.859 -1.475 5.232 1.00 0.00 N ATOM 370 CA LYS A 28 1.927 -0.732 4.391 1.00 0.00 C ATOM 371 C LYS A 28 1.495 0.558 5.079 1.00 0.00 C ATOM 372 O LYS A 28 0.733 0.533 6.046 1.00 0.00 O ATOM 373 CB LYS A 28 0.696 -1.590 4.093 1.00 0.00 C ATOM 374 CG LYS A 28 0.291 -2.358 5.353 1.00 0.00 C ATOM 375 CD LYS A 28 -0.923 -3.237 5.047 1.00 0.00 C ATOM 376 CE LYS A 28 -1.388 -3.930 6.330 1.00 0.00 C ATOM 377 NZ LYS A 28 -2.523 -4.844 6.017 1.00 0.00 N ATOM 0 H LYS A 28 2.495 -1.729 6.150 1.00 0.00 H new ATOM 0 HA LYS A 28 2.430 -0.481 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.128 -0.959 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.913 -2.287 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.121 -2.974 5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.055 -1.661 6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.730 -2.631 4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.666 -3.980 4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.565 -4.492 6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.697 -3.187 7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.840 -5.315 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.310 -4.295 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.213 -5.560 5.329 1.00 0.00 H new ATOM 391 N GLY A 29 1.988 1.685 4.576 1.00 0.00 N ATOM 392 CA GLY A 29 1.640 2.982 5.145 1.00 0.00 C ATOM 393 C GLY A 29 0.154 3.050 5.477 1.00 0.00 C ATOM 394 O GLY A 29 -0.230 3.067 6.647 1.00 0.00 O ATOM 0 H GLY A 29 2.625 1.727 3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.226 3.157 6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.896 3.773 4.440 1.00 0.00 H new ATOM 398 N PHE A 30 -0.678 3.089 4.442 1.00 0.00 N ATOM 399 CA PHE A 30 -2.122 3.145 4.636 1.00 0.00 C ATOM 400 C PHE A 30 -2.701 1.740 4.770 1.00 0.00 C ATOM 401 O PHE A 30 -2.552 0.909 3.874 1.00 0.00 O ATOM 402 CB PHE A 30 -2.780 3.860 3.454 1.00 0.00 C ATOM 403 CG PHE A 30 -2.516 5.343 3.553 1.00 0.00 C ATOM 404 CD1 PHE A 30 -3.064 6.082 4.608 1.00 0.00 C ATOM 405 CD2 PHE A 30 -1.722 5.978 2.590 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.818 7.458 4.699 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.478 7.354 2.682 1.00 0.00 C ATOM 408 CZ PHE A 30 -2.025 8.093 3.738 1.00 0.00 C ATOM 0 H PHE A 30 -0.380 3.083 3.467 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.325 3.697 5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.386 3.471 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.853 3.670 3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.676 5.592 5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.298 5.407 1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.241 8.029 5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.868 7.845 1.938 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.834 9.154 3.810 1.00 0.00 H new ATOM 418 N GLU A 31 -3.359 1.483 5.895 1.00 0.00 N ATOM 419 CA GLU A 31 -3.963 0.177 6.135 1.00 0.00 C ATOM 420 C GLU A 31 -5.156 -0.040 5.211 1.00 0.00 C ATOM 421 O GLU A 31 -5.500 -1.175 4.881 1.00 0.00 O ATOM 422 CB GLU A 31 -4.415 0.072 7.592 1.00 0.00 C ATOM 423 CG GLU A 31 -3.194 0.132 8.512 1.00 0.00 C ATOM 424 CD GLU A 31 -3.626 -0.038 9.964 1.00 0.00 C ATOM 425 OE1 GLU A 31 -4.821 -0.034 10.210 1.00 0.00 O ATOM 426 OE2 GLU A 31 -2.755 -0.171 10.809 1.00 0.00 O ATOM 0 H GLU A 31 -3.487 2.156 6.650 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.217 -0.591 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.103 0.884 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.956 -0.861 7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.485 -0.651 8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.680 1.085 8.386 1.00 0.00 H new ATOM 433 N LYS A 32 -5.786 1.056 4.798 1.00 0.00 N ATOM 434 CA LYS A 32 -6.946 0.973 3.918 1.00 0.00 C ATOM 435 C LYS A 32 -6.532 0.489 2.532 1.00 0.00 C ATOM 436 O LYS A 32 -5.356 0.542 2.171 1.00 0.00 O ATOM 437 CB LYS A 32 -7.615 2.343 3.804 1.00 0.00 C ATOM 438 CG LYS A 32 -9.040 2.174 3.272 1.00 0.00 C ATOM 439 CD LYS A 32 -9.711 3.545 3.165 1.00 0.00 C ATOM 440 CE LYS A 32 -11.198 3.362 2.855 1.00 0.00 C ATOM 441 NZ LYS A 32 -11.350 2.619 1.572 1.00 0.00 N ATOM 0 H LYS A 32 -5.515 2.005 5.056 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.652 0.260 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.635 2.832 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.040 2.985 3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.020 1.690 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.613 1.528 3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.588 4.096 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.235 4.135 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.685 2.816 3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.688 4.333 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.332 2.698 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.709 3.023 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.115 1.617 1.721 1.00 0.00 H new ATOM 455 N ASP A 33 -7.506 0.019 1.760 1.00 0.00 N ATOM 456 CA ASP A 33 -7.231 -0.463 0.410 1.00 0.00 C ATOM 457 C ASP A 33 -6.215 -1.598 0.444 1.00 0.00 C ATOM 458 O ASP A 33 -5.991 -2.213 1.488 1.00 0.00 O ATOM 459 CB ASP A 33 -6.695 0.681 -0.453 1.00 0.00 C ATOM 460 CG ASP A 33 -7.718 1.810 -0.519 1.00 0.00 C ATOM 461 OD1 ASP A 33 -8.900 1.514 -0.465 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.304 2.953 -0.622 1.00 0.00 O ATOM 0 H ASP A 33 -8.485 -0.039 2.042 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.160 -0.837 -0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.758 1.052 -0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.477 0.318 -1.457 1.00 0.00 H new ATOM 467 N ASN A 34 -5.602 -1.872 -0.703 1.00 0.00 N ATOM 468 CA ASN A 34 -4.621 -2.948 -0.795 1.00 0.00 C ATOM 469 C ASN A 34 -3.272 -2.492 -0.247 1.00 0.00 C ATOM 470 O ASN A 34 -2.239 -3.098 -0.529 1.00 0.00 O ATOM 471 CB ASN A 34 -4.461 -3.385 -2.252 1.00 0.00 C ATOM 472 CG ASN A 34 -3.759 -2.292 -3.050 1.00 0.00 C ATOM 473 OD1 ASN A 34 -3.681 -1.149 -2.603 1.00 0.00 O ATOM 474 ND2 ASN A 34 -3.239 -2.577 -4.213 1.00 0.00 N ATOM 0 H ASN A 34 -5.765 -1.369 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.976 -3.790 -0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.886 -4.310 -2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.438 -3.594 -2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.767 -1.851 -4.752 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.305 -3.526 -4.582 1.00 0.00 H new ATOM 481 N GLY A 35 -3.290 -1.419 0.537 1.00 0.00 N ATOM 482 CA GLY A 35 -2.063 -0.892 1.121 1.00 0.00 C ATOM 483 C GLY A 35 -1.576 0.333 0.352 1.00 0.00 C ATOM 484 O GLY A 35 -0.894 1.195 0.905 1.00 0.00 O ATOM 0 H GLY A 35 -4.134 -0.901 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.237 -0.626 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.292 -1.662 1.113 1.00 0.00 H new ATOM 488 N LEU A 36 -1.934 0.402 -0.926 1.00 0.00 N ATOM 489 CA LEU A 36 -1.535 1.529 -1.761 1.00 0.00 C ATOM 490 C LEU A 36 -0.015 1.594 -1.886 1.00 0.00 C ATOM 491 O LEU A 36 0.539 1.360 -2.960 1.00 0.00 O ATOM 492 CB LEU A 36 -2.055 2.835 -1.158 1.00 0.00 C ATOM 493 CG LEU A 36 -3.527 2.671 -0.776 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.071 4.003 -0.256 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.327 2.241 -2.008 1.00 0.00 C ATOM 0 H LEU A 36 -2.495 -0.303 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.964 1.390 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.468 3.101 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.943 3.649 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.619 1.913 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.120 3.886 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.501 4.312 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.980 4.762 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.376 2.124 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.235 3.000 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.940 1.292 -2.380 1.00 0.00 H new ATOM 507 N LEU A 37 0.652 1.911 -0.781 1.00 0.00 N ATOM 508 CA LEU A 37 2.107 2.012 -0.782 1.00 0.00 C ATOM 509 C LEU A 37 2.713 1.061 0.245 1.00 0.00 C ATOM 510 O LEU A 37 2.259 0.994 1.386 1.00 0.00 O ATOM 511 CB LEU A 37 2.532 3.447 -0.462 1.00 0.00 C ATOM 512 CG LEU A 37 4.050 3.574 -0.605 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.412 3.730 -2.083 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.534 4.801 0.170 1.00 0.00 C ATOM 0 H LEU A 37 0.213 2.101 0.120 1.00 0.00 H new ATOM 0 HA LEU A 37 2.469 1.737 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.033 4.144 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.228 3.710 0.551 1.00 0.00 H new ATOM 0 HG LEU A 37 4.528 2.680 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.493 3.821 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.067 2.856 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.934 4.624 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.615 4.892 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.055 5.695 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.276 4.691 1.223 1.00 0.00 H new ATOM 526 N PHE A 38 3.740 0.327 -0.171 1.00 0.00 N ATOM 527 CA PHE A 38 4.411 -0.607 0.725 1.00 0.00 C ATOM 528 C PHE A 38 5.771 -0.060 1.146 1.00 0.00 C ATOM 529 O PHE A 38 6.565 0.369 0.308 1.00 0.00 O ATOM 530 CB PHE A 38 4.593 -1.957 0.031 1.00 0.00 C ATOM 531 CG PHE A 38 3.243 -2.589 -0.202 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.534 -2.313 -1.377 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.699 -3.452 0.757 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.281 -2.899 -1.593 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.446 -4.039 0.542 1.00 0.00 C ATOM 536 CZ PHE A 38 0.737 -3.762 -0.634 1.00 0.00 C ATOM 0 H PHE A 38 4.123 0.360 -1.116 1.00 0.00 H new ATOM 0 HA PHE A 38 3.794 -0.737 1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.112 -1.823 -0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.212 -2.612 0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.954 -1.648 -2.117 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.246 -3.665 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.734 -2.685 -2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.027 -4.705 1.282 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.229 -4.214 -0.801 1.00 0.00 H new ATOM 546 N ARG A 39 6.035 -0.079 2.448 1.00 0.00 N ATOM 547 CA ARG A 39 7.308 0.408 2.966 1.00 0.00 C ATOM 548 C ARG A 39 8.340 -0.716 2.999 1.00 0.00 C ATOM 549 O ARG A 39 8.241 -1.639 3.808 1.00 0.00 O ATOM 550 CB ARG A 39 7.118 0.969 4.376 1.00 0.00 C ATOM 551 CG ARG A 39 8.427 1.599 4.856 1.00 0.00 C ATOM 552 CD ARG A 39 8.207 2.264 6.214 1.00 0.00 C ATOM 553 NE ARG A 39 7.977 1.253 7.240 1.00 0.00 N ATOM 554 CZ ARG A 39 7.532 1.587 8.447 1.00 0.00 C ATOM 555 NH1 ARG A 39 7.294 2.838 8.731 1.00 0.00 N ATOM 556 NH2 ARG A 39 7.334 0.664 9.347 1.00 0.00 N ATOM 0 H ARG A 39 5.390 -0.424 3.159 1.00 0.00 H new ATOM 0 HA ARG A 39 7.668 1.197 2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.322 1.713 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.814 0.174 5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.202 0.837 4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.776 2.335 4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.076 2.867 6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.354 2.940 6.162 1.00 0.00 H new ATOM 0 HE ARG A 39 8.161 0.273 7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.449 3.559 8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.952 3.095 9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.521 -0.314 9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.993 0.920 10.273 1.00 0.00 H new ATOM 570 N ILE A 40 9.328 -0.629 2.116 1.00 0.00 N ATOM 571 CA ILE A 40 10.368 -1.650 2.044 1.00 0.00 C ATOM 572 C ILE A 40 11.609 -1.204 2.810 1.00 0.00 C ATOM 573 O ILE A 40 12.058 -0.066 2.673 1.00 0.00 O ATOM 574 CB ILE A 40 10.736 -1.919 0.585 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.475 -2.291 -0.199 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.737 -3.074 0.514 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.794 -2.330 -1.693 1.00 0.00 C ATOM 0 H ILE A 40 9.431 0.132 1.444 1.00 0.00 H new ATOM 0 HA ILE A 40 9.985 -2.565 2.496 1.00 0.00 H new ATOM 0 HB ILE A 40 11.183 -1.023 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.103 -3.262 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.686 -1.565 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.999 -3.265 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.636 -2.811 1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.290 -3.970 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.895 -2.595 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.145 -1.350 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.569 -3.073 -1.880 1.00 0.00 H new ATOM 589 N VAL A 41 12.158 -2.106 3.617 1.00 0.00 N ATOM 590 CA VAL A 41 13.347 -1.793 4.401 1.00 0.00 C ATOM 591 C VAL A 41 14.335 -2.955 4.365 1.00 0.00 C ATOM 592 O VAL A 41 13.995 -4.083 4.722 1.00 0.00 O ATOM 593 CB VAL A 41 12.954 -1.498 5.849 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.193 -1.073 6.639 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.923 -0.368 5.877 1.00 0.00 C ATOM 0 H VAL A 41 11.802 -3.053 3.745 1.00 0.00 H new ATOM 0 HA VAL A 41 13.824 -0.914 3.968 1.00 0.00 H new ATOM 0 HB VAL A 41 12.526 -2.394 6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.912 -0.863 7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.930 -1.876 6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.621 -0.177 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.642 -0.157 6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.352 0.527 5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.039 -0.668 5.315 1.00 0.00 H new ATOM 605 N ASN A 42 15.558 -2.671 3.932 1.00 0.00 N ATOM 606 CA ASN A 42 16.589 -3.700 3.857 1.00 0.00 C ATOM 607 C ASN A 42 17.594 -3.534 4.993 1.00 0.00 C ATOM 608 O ASN A 42 18.451 -2.650 4.954 1.00 0.00 O ATOM 609 CB ASN A 42 17.316 -3.614 2.514 1.00 0.00 C ATOM 610 CG ASN A 42 17.884 -4.978 2.139 1.00 0.00 C ATOM 611 OD1 ASN A 42 18.413 -5.688 2.995 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.806 -5.389 0.903 1.00 0.00 N ATOM 0 H ASN A 42 15.859 -1.744 3.630 1.00 0.00 H new ATOM 0 HA ASN A 42 16.111 -4.675 3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.628 -3.272 1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.120 -2.880 2.573 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.184 -6.300 0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.367 -4.799 0.196 1.00 0.00 H new ATOM 619 N LYS A 43 17.482 -4.389 6.005 1.00 0.00 N ATOM 620 CA LYS A 43 18.378 -4.322 7.153 1.00 0.00 C ATOM 621 C LYS A 43 19.834 -4.423 6.707 1.00 0.00 C ATOM 622 O LYS A 43 20.725 -3.847 7.330 1.00 0.00 O ATOM 623 CB LYS A 43 18.063 -5.456 8.128 1.00 0.00 C ATOM 624 CG LYS A 43 16.659 -5.261 8.703 1.00 0.00 C ATOM 625 CD LYS A 43 16.405 -6.301 9.796 1.00 0.00 C ATOM 626 CE LYS A 43 14.957 -6.194 10.275 1.00 0.00 C ATOM 627 NZ LYS A 43 14.787 -6.988 11.525 1.00 0.00 N ATOM 0 H LYS A 43 16.784 -5.131 6.053 1.00 0.00 H new ATOM 0 HA LYS A 43 18.228 -3.363 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.128 -6.417 7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.798 -5.472 8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.559 -4.256 9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.914 -5.359 7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.599 -7.302 9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.088 -6.142 10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.699 -5.151 10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.280 -6.561 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.802 -6.915 11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.017 -7.985 11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.423 -6.619 12.260 1.00 0.00 H new ATOM 641 N LYS A 44 20.066 -5.160 5.626 1.00 0.00 N ATOM 642 CA LYS A 44 21.419 -5.335 5.111 1.00 0.00 C ATOM 643 C LYS A 44 22.094 -3.982 4.901 1.00 0.00 C ATOM 644 O LYS A 44 23.061 -3.648 5.584 1.00 0.00 O ATOM 645 CB LYS A 44 21.379 -6.098 3.785 1.00 0.00 C ATOM 646 CG LYS A 44 20.797 -7.494 4.017 1.00 0.00 C ATOM 647 CD LYS A 44 21.075 -8.374 2.797 1.00 0.00 C ATOM 648 CE LYS A 44 20.321 -7.819 1.586 1.00 0.00 C ATOM 649 NZ LYS A 44 20.260 -8.859 0.520 1.00 0.00 N ATOM 0 H LYS A 44 19.342 -5.642 5.093 1.00 0.00 H new ATOM 0 HA LYS A 44 21.993 -5.905 5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.773 -5.556 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 44 22.383 -6.176 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 44 21.239 -7.940 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 44 19.723 -7.427 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 44 22.145 -8.402 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 44 20.762 -9.399 2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.314 -7.521 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.821 -6.927 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.748 -8.483 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 21.225 -9.122 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.764 -9.699 0.882 1.00 0.00 H new ATOM 663 N LYS A 45 21.578 -3.210 3.951 1.00 0.00 N ATOM 664 CA LYS A 45 22.137 -1.896 3.660 1.00 0.00 C ATOM 665 C LYS A 45 21.377 -0.809 4.414 1.00 0.00 C ATOM 666 O LYS A 45 21.723 0.370 4.339 1.00 0.00 O ATOM 667 CB LYS A 45 22.069 -1.621 2.156 1.00 0.00 C ATOM 668 CG LYS A 45 22.935 -2.641 1.413 1.00 0.00 C ATOM 669 CD LYS A 45 22.682 -2.528 -0.092 1.00 0.00 C ATOM 670 CE LYS A 45 23.046 -1.121 -0.567 1.00 0.00 C ATOM 671 NZ LYS A 45 24.292 -0.671 0.117 1.00 0.00 N ATOM 0 H LYS A 45 20.779 -3.469 3.373 1.00 0.00 H new ATOM 0 HA LYS A 45 23.178 -1.885 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.037 -1.683 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.416 -0.610 1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 45 23.989 -2.465 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.703 -3.649 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 45 23.275 -3.269 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.635 -2.738 -0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 45 23.190 -1.116 -1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.231 -0.431 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.743 0.080 -0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.057 -0.305 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.946 -1.474 0.210 1.00 0.00 H new ATOM 685 N LYS A 46 20.342 -1.215 5.141 1.00 0.00 N ATOM 686 CA LYS A 46 19.539 -0.267 5.906 1.00 0.00 C ATOM 687 C LYS A 46 19.015 0.846 5.005 1.00 0.00 C ATOM 688 O LYS A 46 18.875 1.991 5.435 1.00 0.00 O ATOM 689 CB LYS A 46 20.380 0.339 7.031 1.00 0.00 C ATOM 690 CG LYS A 46 20.119 -0.423 8.331 1.00 0.00 C ATOM 691 CD LYS A 46 18.838 0.099 8.983 1.00 0.00 C ATOM 692 CE LYS A 46 18.158 -1.033 9.755 1.00 0.00 C ATOM 693 NZ LYS A 46 19.196 -1.934 10.329 1.00 0.00 N ATOM 0 H LYS A 46 20.040 -2.186 5.217 1.00 0.00 H new ATOM 0 HA LYS A 46 18.690 -0.802 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.438 0.290 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.131 1.393 7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.027 -1.490 8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.962 -0.301 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.071 0.924 9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.163 0.490 8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.536 -0.623 10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.499 -1.595 9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.804 -2.435 11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.491 -2.626 9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.019 -1.371 10.625 1.00 0.00 H new ATOM 707 N GLN A 47 18.723 0.504 3.755 1.00 0.00 N ATOM 708 CA GLN A 47 18.206 1.484 2.807 1.00 0.00 C ATOM 709 C GLN A 47 16.695 1.338 2.658 1.00 0.00 C ATOM 710 O GLN A 47 16.189 0.246 2.398 1.00 0.00 O ATOM 711 CB GLN A 47 18.875 1.301 1.443 1.00 0.00 C ATOM 712 CG GLN A 47 18.485 -0.059 0.860 1.00 0.00 C ATOM 713 CD GLN A 47 19.438 -0.434 -0.270 1.00 0.00 C ATOM 714 OE1 GLN A 47 19.585 -1.611 -0.594 1.00 0.00 O ATOM 715 NE2 GLN A 47 20.098 0.505 -0.891 1.00 0.00 N ATOM 0 H GLN A 47 18.834 -0.437 3.377 1.00 0.00 H new ATOM 0 HA GLN A 47 18.429 2.481 3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.570 2.099 0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.958 1.367 1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.515 -0.820 1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.461 -0.024 0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.974 1.480 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.738 0.264 -1.648 1.00 0.00 H new ATOM 724 N TRP A 48 15.978 2.444 2.828 1.00 0.00 N ATOM 725 CA TRP A 48 14.525 2.426 2.712 1.00 0.00 C ATOM 726 C TRP A 48 14.099 2.636 1.261 1.00 0.00 C ATOM 727 O TRP A 48 14.728 3.395 0.523 1.00 0.00 O ATOM 728 CB TRP A 48 13.917 3.524 3.587 1.00 0.00 C ATOM 729 CG TRP A 48 14.024 3.133 5.027 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.848 2.177 5.514 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.299 3.671 6.170 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.674 2.093 6.884 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.730 2.994 7.336 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.318 4.670 6.308 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.207 3.297 8.593 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.790 4.978 7.573 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.233 4.292 8.713 1.00 0.00 C ATOM 0 H TRP A 48 16.376 3.358 3.045 1.00 0.00 H new ATOM 0 HA TRP A 48 14.166 1.453 3.047 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.435 4.468 3.416 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.872 3.681 3.319 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.530 1.578 4.929 1.00 0.00 H new ATOM 0 HE1 TRP A 48 15.181 1.445 7.487 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.969 5.203 5.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.552 2.766 9.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 11.038 5.748 7.668 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.822 4.532 9.682 1.00 0.00 H new ATOM 748 N ALA A 49 13.027 1.960 0.862 1.00 0.00 N ATOM 749 CA ALA A 49 12.522 2.080 -0.501 1.00 0.00 C ATOM 750 C ALA A 49 10.997 2.048 -0.508 1.00 0.00 C ATOM 751 O ALA A 49 10.375 1.482 0.392 1.00 0.00 O ATOM 752 CB ALA A 49 13.064 0.939 -1.362 1.00 0.00 C ATOM 0 H ALA A 49 12.494 1.327 1.458 1.00 0.00 H new ATOM 0 HA ALA A 49 12.857 3.032 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.682 1.037 -2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.153 0.981 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.744 -0.016 -0.944 1.00 0.00 H new ATOM 758 N TYR A 50 10.399 2.657 -1.526 1.00 0.00 N ATOM 759 CA TYR A 50 8.944 2.696 -1.630 1.00 0.00 C ATOM 760 C TYR A 50 8.489 2.238 -3.012 1.00 0.00 C ATOM 761 O TYR A 50 9.121 2.554 -4.020 1.00 0.00 O ATOM 762 CB TYR A 50 8.440 4.116 -1.369 1.00 0.00 C ATOM 763 CG TYR A 50 8.512 4.409 0.109 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.649 3.755 0.997 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.442 5.338 0.594 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.715 4.029 2.368 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.508 5.611 1.965 1.00 0.00 C ATOM 768 CZ TYR A 50 8.645 4.957 2.851 1.00 0.00 C ATOM 769 OH TYR A 50 8.710 5.228 4.203 1.00 0.00 O ATOM 0 H TYR A 50 10.893 3.127 -2.285 1.00 0.00 H new ATOM 0 HA TYR A 50 8.529 2.019 -0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.043 4.835 -1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.414 4.220 -1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.932 3.039 0.624 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.108 5.843 -0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.049 3.525 3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.225 6.327 2.339 1.00 0.00 H new ATOM 0 HH TYR A 50 9.409 5.894 4.370 1.00 0.00 H new ATOM 779 N TYR A 51 7.390 1.493 -3.049 1.00 0.00 N ATOM 780 CA TYR A 51 6.844 1.013 -4.312 1.00 0.00 C ATOM 781 C TYR A 51 5.387 1.442 -4.462 1.00 0.00 C ATOM 782 O TYR A 51 4.558 1.172 -3.593 1.00 0.00 O ATOM 783 CB TYR A 51 6.938 -0.514 -4.374 1.00 0.00 C ATOM 784 CG TYR A 51 6.082 -1.026 -5.506 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.509 -0.874 -6.831 1.00 0.00 C ATOM 786 CD2 TYR A 51 4.861 -1.654 -5.232 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.715 -1.350 -7.881 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.066 -2.130 -6.282 1.00 0.00 C ATOM 789 CZ TYR A 51 4.494 -1.978 -7.608 1.00 0.00 C ATOM 790 OH TYR A 51 3.711 -2.447 -8.643 1.00 0.00 O ATOM 0 H TYR A 51 6.862 1.210 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 51 7.424 1.446 -5.127 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.974 -0.819 -4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.608 -0.948 -3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.451 -0.390 -7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.532 -1.771 -4.210 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.045 -1.233 -8.903 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.124 -2.614 -6.070 1.00 0.00 H new ATOM 0 HH TYR A 51 3.185 -3.214 -8.334 1.00 0.00 H new ATOM 800 N ASN A 52 5.083 2.113 -5.567 1.00 0.00 N ATOM 801 CA ASN A 52 3.725 2.584 -5.814 1.00 0.00 C ATOM 802 C ASN A 52 2.990 1.637 -6.759 1.00 0.00 C ATOM 803 O ASN A 52 3.482 1.320 -7.841 1.00 0.00 O ATOM 804 CB ASN A 52 3.759 3.987 -6.422 1.00 0.00 C ATOM 805 CG ASN A 52 2.338 4.492 -6.647 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.377 3.867 -6.197 1.00 0.00 O ATOM 807 ND2 ASN A 52 2.146 5.593 -7.321 1.00 0.00 N ATOM 0 H ASN A 52 5.753 2.342 -6.301 1.00 0.00 H new ATOM 0 HA ASN A 52 3.195 2.613 -4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.295 4.667 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.302 3.970 -7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.199 5.937 -7.476 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.943 6.109 -7.693 1.00 0.00 H new ATOM 814 N ASP A 53 1.808 1.194 -6.341 1.00 0.00 N ATOM 815 CA ASP A 53 1.011 0.288 -7.159 1.00 0.00 C ATOM 816 C ASP A 53 -0.127 1.045 -7.837 1.00 0.00 C ATOM 817 O ASP A 53 -0.526 0.717 -8.954 1.00 0.00 O ATOM 818 CB ASP A 53 0.437 -0.833 -6.291 1.00 0.00 C ATOM 819 CG ASP A 53 -0.617 -0.270 -5.343 1.00 0.00 C ATOM 820 OD1 ASP A 53 -1.589 0.283 -5.830 1.00 0.00 O ATOM 821 OD2 ASP A 53 -0.435 -0.400 -4.144 1.00 0.00 O ATOM 0 H ASP A 53 1.384 1.445 -5.448 1.00 0.00 H new ATOM 0 HA ASP A 53 1.655 -0.143 -7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.005 -1.604 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.235 -1.307 -5.720 1.00 0.00 H new ATOM 826 N THR A 54 -0.647 2.058 -7.152 1.00 0.00 N ATOM 827 CA THR A 54 -1.740 2.857 -7.696 1.00 0.00 C ATOM 828 C THR A 54 -1.342 3.464 -9.037 1.00 0.00 C ATOM 829 O THR A 54 -0.396 4.249 -9.117 1.00 0.00 O ATOM 830 CB THR A 54 -2.109 3.973 -6.717 1.00 0.00 C ATOM 831 OG1 THR A 54 -0.922 4.573 -6.215 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.917 3.391 -5.557 1.00 0.00 C ATOM 0 H THR A 54 -0.332 2.344 -6.225 1.00 0.00 H new ATOM 0 HA THR A 54 -2.602 2.207 -7.846 1.00 0.00 H new ATOM 0 HB THR A 54 -2.707 4.725 -7.232 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.143 4.181 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.179 4.187 -4.860 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.827 2.932 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.321 2.638 -5.040 1.00 0.00 H new ATOM 840 N THR A 55 -2.067 3.096 -10.087 1.00 0.00 N ATOM 841 CA THR A 55 -1.776 3.607 -11.421 1.00 0.00 C ATOM 842 C THR A 55 -2.681 4.790 -11.752 1.00 0.00 C ATOM 843 O THR A 55 -2.840 5.156 -12.917 1.00 0.00 O ATOM 844 CB THR A 55 -1.980 2.501 -12.460 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.312 2.015 -12.374 1.00 0.00 O ATOM 846 CG2 THR A 55 -0.999 1.359 -12.190 1.00 0.00 C ATOM 0 H THR A 55 -2.855 2.450 -10.042 1.00 0.00 H new ATOM 0 HA THR A 55 -0.738 3.940 -11.443 1.00 0.00 H new ATOM 0 HB THR A 55 -1.802 2.901 -13.458 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.446 1.308 -13.039 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.144 0.572 -12.930 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.022 1.734 -12.255 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.175 0.956 -11.192 1.00 0.00 H new ATOM 854 N GLN A 56 -3.272 5.385 -10.720 1.00 0.00 N ATOM 855 CA GLN A 56 -4.155 6.528 -10.914 1.00 0.00 C ATOM 856 C GLN A 56 -3.752 7.681 -10.000 1.00 0.00 C ATOM 857 O GLN A 56 -4.166 8.822 -10.205 1.00 0.00 O ATOM 858 CB GLN A 56 -5.602 6.125 -10.619 1.00 0.00 C ATOM 859 CG GLN A 56 -5.619 5.026 -9.555 1.00 0.00 C ATOM 860 CD GLN A 56 -5.258 3.686 -10.187 1.00 0.00 C ATOM 861 OE1 GLN A 56 -4.455 2.934 -9.633 1.00 0.00 O ATOM 862 NE2 GLN A 56 -5.807 3.339 -11.318 1.00 0.00 N ATOM 0 H GLN A 56 -3.156 5.097 -9.748 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.071 6.855 -11.950 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.168 6.990 -10.273 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.085 5.772 -11.530 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.912 5.266 -8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.606 4.967 -9.096 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.472 3.963 -11.775 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.572 2.443 -11.746 1.00 0.00 H new ATOM 871 N TYR A 57 -2.943 7.375 -8.992 1.00 0.00 N ATOM 872 CA TYR A 57 -2.487 8.396 -8.055 1.00 0.00 C ATOM 873 C TYR A 57 -0.994 8.250 -7.783 1.00 0.00 C ATOM 874 O TYR A 57 -0.449 7.146 -7.831 1.00 0.00 O ATOM 875 CB TYR A 57 -3.261 8.279 -6.740 1.00 0.00 C ATOM 876 CG TYR A 57 -4.668 7.808 -7.023 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.540 8.615 -7.764 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.100 6.566 -6.546 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.845 8.180 -8.026 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.404 6.129 -6.808 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.276 6.936 -7.548 1.00 0.00 C ATOM 882 OH TYR A 57 -8.562 6.507 -7.807 1.00 0.00 O ATOM 0 H TYR A 57 -2.592 6.436 -8.803 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.668 9.375 -8.499 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.759 7.579 -6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.284 9.243 -6.232 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.206 9.573 -8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.427 5.944 -5.975 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.518 8.803 -8.596 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.737 5.170 -6.439 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.699 5.623 -7.406 1.00 0.00 H new ATOM 892 N GLU A 58 -0.338 9.369 -7.495 1.00 0.00 N ATOM 893 CA GLU A 58 1.089 9.351 -7.191 1.00 0.00 C ATOM 894 C GLU A 58 1.312 9.248 -5.685 1.00 0.00 C ATOM 895 O GLU A 58 0.543 9.796 -4.896 1.00 0.00 O ATOM 896 CB GLU A 58 1.753 10.621 -7.723 1.00 0.00 C ATOM 897 CG GLU A 58 0.770 11.790 -7.626 1.00 0.00 C ATOM 898 CD GLU A 58 1.455 13.085 -8.049 1.00 0.00 C ATOM 899 OE1 GLU A 58 2.654 13.052 -8.272 1.00 0.00 O ATOM 900 OE2 GLU A 58 0.770 14.090 -8.144 1.00 0.00 O ATOM 0 H GLU A 58 -0.767 10.294 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 58 1.535 8.481 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.654 10.841 -7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.062 10.476 -8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.095 11.602 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.401 11.881 -6.605 1.00 0.00 H new ATOM 907 N MET A 59 2.368 8.543 -5.295 1.00 0.00 N ATOM 908 CA MET A 59 2.670 8.359 -3.881 1.00 0.00 C ATOM 909 C MET A 59 3.638 9.432 -3.392 1.00 0.00 C ATOM 910 O MET A 59 4.723 9.603 -3.948 1.00 0.00 O ATOM 911 CB MET A 59 3.283 6.976 -3.655 1.00 0.00 C ATOM 912 CG MET A 59 2.168 5.937 -3.523 1.00 0.00 C ATOM 913 SD MET A 59 0.856 6.307 -4.715 1.00 0.00 S ATOM 914 CE MET A 59 -0.516 5.605 -3.768 1.00 0.00 C ATOM 0 H MET A 59 3.025 8.093 -5.933 1.00 0.00 H new ATOM 0 HA MET A 59 1.741 8.443 -3.318 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.939 6.717 -4.486 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.897 6.982 -2.755 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.565 4.937 -3.701 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.767 5.945 -2.510 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.461 5.909 -4.217 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.444 4.517 -3.775 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.470 5.965 -2.740 1.00 0.00 H new ATOM 924 N HIS A 60 3.238 10.150 -2.347 1.00 0.00 N ATOM 925 CA HIS A 60 4.088 11.188 -1.773 1.00 0.00 C ATOM 926 C HIS A 60 4.544 10.788 -0.374 1.00 0.00 C ATOM 927 O HIS A 60 3.724 10.514 0.501 1.00 0.00 O ATOM 928 CB HIS A 60 3.324 12.512 -1.705 1.00 0.00 C ATOM 929 CG HIS A 60 2.984 12.966 -3.098 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.640 14.021 -3.713 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.059 12.519 -4.008 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.106 14.172 -4.939 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.138 13.281 -5.170 1.00 0.00 N ATOM 0 H HIS A 60 2.337 10.034 -1.883 1.00 0.00 H new ATOM 0 HA HIS A 60 4.964 11.309 -2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.413 12.389 -1.119 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.928 13.267 -1.202 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.391 14.581 -3.310 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.374 11.700 -3.847 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.422 14.922 -5.649 1.00 0.00 H new ATOM 942 N VAL A 61 5.857 10.750 -0.172 1.00 0.00 N ATOM 943 CA VAL A 61 6.408 10.360 1.121 1.00 0.00 C ATOM 944 C VAL A 61 6.976 11.571 1.854 1.00 0.00 C ATOM 945 O VAL A 61 7.726 12.362 1.283 1.00 0.00 O ATOM 946 CB VAL A 61 7.511 9.318 0.924 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.165 9.007 2.271 1.00 0.00 C ATOM 948 CG2 VAL A 61 6.902 8.039 0.346 1.00 0.00 C ATOM 0 H VAL A 61 6.554 10.982 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 61 5.605 9.933 1.721 1.00 0.00 H new ATOM 0 HB VAL A 61 8.262 9.708 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 61 8.951 8.265 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.596 9.918 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.415 8.616 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.686 7.295 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.152 7.650 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.434 8.260 -0.613 1.00 0.00 H new ATOM 958 N LEU A 62 6.613 11.707 3.126 1.00 0.00 N ATOM 959 CA LEU A 62 7.107 12.813 3.940 1.00 0.00 C ATOM 960 C LEU A 62 7.366 12.346 5.369 1.00 0.00 C ATOM 961 O LEU A 62 6.466 12.352 6.207 1.00 0.00 O ATOM 962 CB LEU A 62 6.084 13.951 3.951 1.00 0.00 C ATOM 963 CG LEU A 62 6.727 15.209 4.536 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.443 15.980 3.426 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.643 16.095 5.153 1.00 0.00 C ATOM 0 H LEU A 62 5.983 11.070 3.613 1.00 0.00 H new ATOM 0 HA LEU A 62 8.042 13.171 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.731 14.147 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.214 13.666 4.542 1.00 0.00 H new ATOM 0 HG LEU A 62 7.447 14.925 5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.901 16.877 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.215 15.350 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.724 16.264 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.100 16.992 5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.924 16.378 4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.132 15.547 5.944 1.00 0.00 H new ATOM 977 N VAL A 63 8.602 11.936 5.636 1.00 0.00 N ATOM 978 CA VAL A 63 8.964 11.451 6.963 1.00 0.00 C ATOM 979 C VAL A 63 9.961 12.392 7.630 1.00 0.00 C ATOM 980 O VAL A 63 10.937 12.819 7.013 1.00 0.00 O ATOM 981 CB VAL A 63 9.574 10.053 6.856 1.00 0.00 C ATOM 982 CG1 VAL A 63 9.909 9.533 8.255 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.570 9.110 6.190 1.00 0.00 C ATOM 0 H VAL A 63 9.364 11.930 4.958 1.00 0.00 H new ATOM 0 HA VAL A 63 8.061 11.411 7.572 1.00 0.00 H new ATOM 0 HB VAL A 63 10.484 10.099 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.344 8.536 8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.623 10.205 8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.999 9.487 8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.003 8.113 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.660 9.065 6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.330 9.479 5.193 1.00 0.00 H new ATOM 993 N THR A 64 9.710 12.709 8.896 1.00 0.00 N ATOM 994 CA THR A 64 10.598 13.592 9.645 1.00 0.00 C ATOM 995 C THR A 64 11.359 12.803 10.706 1.00 0.00 C ATOM 996 O THR A 64 10.778 11.988 11.422 1.00 0.00 O ATOM 997 CB THR A 64 9.788 14.704 10.315 1.00 0.00 C ATOM 998 OG1 THR A 64 9.033 15.397 9.331 1.00 0.00 O ATOM 999 CG2 THR A 64 10.737 15.679 11.013 1.00 0.00 C ATOM 0 H THR A 64 8.905 12.370 9.422 1.00 0.00 H new ATOM 0 HA THR A 64 11.313 14.035 8.951 1.00 0.00 H new ATOM 0 HB THR A 64 9.112 14.269 11.051 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.512 16.108 9.759 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.159 16.471 11.490 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.315 15.146 11.768 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.414 16.116 10.279 1.00 0.00 H new ATOM 1007 N PHE A 65 12.662 13.048 10.799 1.00 0.00 N ATOM 1008 CA PHE A 65 13.491 12.351 11.774 1.00 0.00 C ATOM 1009 C PHE A 65 14.096 13.334 12.771 1.00 0.00 C ATOM 1010 O PHE A 65 14.124 14.542 12.529 1.00 0.00 O ATOM 1011 CB PHE A 65 14.609 11.591 11.059 1.00 0.00 C ATOM 1012 CG PHE A 65 14.082 11.026 9.762 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.064 11.820 8.608 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.608 9.710 9.714 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.574 11.296 7.407 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.117 9.186 8.511 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.101 9.979 7.358 1.00 0.00 C ATOM 0 H PHE A 65 13.163 13.718 10.216 1.00 0.00 H new ATOM 0 HA PHE A 65 12.862 11.646 12.318 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.449 12.257 10.863 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.981 10.787 11.694 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.428 12.836 8.645 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.621 9.099 10.604 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.561 11.908 6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.751 8.171 8.473 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.724 9.575 6.430 1.00 0.00 H new ATOM 1027 N ASN A 66 14.579 12.809 13.893 1.00 0.00 N ATOM 1028 CA ASN A 66 15.191 13.647 14.918 1.00 0.00 C ATOM 1029 C ASN A 66 16.662 13.895 14.599 1.00 0.00 C ATOM 1030 O ASN A 66 17.309 13.085 13.935 1.00 0.00 O ATOM 1031 CB ASN A 66 15.071 12.971 16.284 1.00 0.00 C ATOM 1032 CG ASN A 66 15.380 13.973 17.391 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.658 14.955 17.560 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.417 13.783 18.160 1.00 0.00 N ATOM 0 H ASN A 66 14.559 11.814 14.115 1.00 0.00 H new ATOM 0 HA ASN A 66 14.669 14.604 14.939 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.065 12.572 16.414 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.759 12.128 16.343 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.630 14.449 18.903 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.014 12.968 18.019 1.00 0.00 H new ATOM 1041 N GLU A 67 17.184 15.019 15.078 1.00 0.00 N ATOM 1042 CA GLU A 67 18.580 15.363 14.840 1.00 0.00 C ATOM 1043 C GLU A 67 19.482 14.170 15.134 1.00 0.00 C ATOM 1044 O GLU A 67 20.391 13.861 14.363 1.00 0.00 O ATOM 1045 CB GLU A 67 18.987 16.543 15.725 1.00 0.00 C ATOM 1046 CG GLU A 67 20.512 16.645 15.773 1.00 0.00 C ATOM 1047 CD GLU A 67 20.927 18.045 16.213 1.00 0.00 C ATOM 1048 OE1 GLU A 67 20.067 18.781 16.669 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.099 18.362 16.085 1.00 0.00 O ATOM 0 H GLU A 67 16.665 15.703 15.629 1.00 0.00 H new ATOM 0 HA GLU A 67 18.692 15.641 13.792 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.563 17.468 15.334 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.589 16.410 16.731 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.913 15.904 16.464 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.931 16.424 14.791 1.00 0.00 H new ATOM 1056 N ASP A 68 19.226 13.505 16.256 1.00 0.00 N ATOM 1057 CA ASP A 68 20.022 12.346 16.644 1.00 0.00 C ATOM 1058 C ASP A 68 19.599 11.115 15.848 1.00 0.00 C ATOM 1059 O ASP A 68 18.985 10.196 16.389 1.00 0.00 O ATOM 1060 CB ASP A 68 19.852 12.073 18.139 1.00 0.00 C ATOM 1061 CG ASP A 68 20.450 13.218 18.951 1.00 0.00 C ATOM 1062 OD1 ASP A 68 21.180 14.008 18.375 1.00 0.00 O ATOM 1063 OD2 ASP A 68 20.170 13.287 20.136 1.00 0.00 O ATOM 0 H ASP A 68 18.480 13.746 16.908 1.00 0.00 H new ATOM 0 HA ASP A 68 21.069 12.560 16.431 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.795 11.960 18.378 1.00 0.00 H new ATOM 0 HB3 ASP A 68 20.340 11.135 18.403 1.00 0.00 H new ATOM 1068 N CYS A 69 19.931 11.104 14.561 1.00 0.00 N ATOM 1069 CA CYS A 69 19.590 9.975 13.704 1.00 0.00 C ATOM 1070 C CYS A 69 20.567 9.872 12.537 1.00 0.00 C ATOM 1071 O CYS A 69 20.637 10.765 11.693 1.00 0.00 O ATOM 1072 CB CYS A 69 18.166 10.137 13.169 1.00 0.00 C ATOM 1073 SG CYS A 69 17.038 10.465 14.545 1.00 0.00 S ATOM 0 H CYS A 69 20.432 11.858 14.092 1.00 0.00 H new ATOM 0 HA CYS A 69 19.653 9.062 14.296 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.127 10.955 12.450 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.860 9.234 12.641 1.00 0.00 H new ATOM 0 HG CYS A 69 17.650 10.243 15.670 1.00 0.00 H new ATOM 1079 N ASP A 70 21.318 8.777 12.495 1.00 0.00 N ATOM 1080 CA ASP A 70 22.289 8.569 11.427 1.00 0.00 C ATOM 1081 C ASP A 70 21.585 8.140 10.143 1.00 0.00 C ATOM 1082 O ASP A 70 21.543 6.955 9.813 1.00 0.00 O ATOM 1083 CB ASP A 70 23.300 7.498 11.840 1.00 0.00 C ATOM 1084 CG ASP A 70 24.476 7.490 10.869 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.532 8.371 10.028 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.305 6.602 10.982 1.00 0.00 O ATOM 0 H ASP A 70 21.274 8.025 13.183 1.00 0.00 H new ATOM 0 HA ASP A 70 22.811 9.509 11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.655 7.692 12.852 1.00 0.00 H new ATOM 0 HB3 ASP A 70 22.821 6.519 11.852 1.00 0.00 H new ATOM 1091 N ILE A 71 21.032 9.112 9.426 1.00 0.00 N ATOM 1092 CA ILE A 71 20.323 8.823 8.184 1.00 0.00 C ATOM 1093 C ILE A 71 20.930 9.609 7.025 1.00 0.00 C ATOM 1094 O ILE A 71 21.592 10.626 7.232 1.00 0.00 O ATOM 1095 CB ILE A 71 18.845 9.187 8.331 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.719 10.670 8.690 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.220 8.341 9.442 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.243 11.030 8.865 1.00 0.00 C ATOM 0 H ILE A 71 21.060 10.099 9.680 1.00 0.00 H new ATOM 0 HA ILE A 71 20.416 7.758 7.973 1.00 0.00 H new ATOM 0 HB ILE A 71 18.328 8.994 7.391 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.267 10.880 9.609 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.163 11.284 7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.166 8.600 9.547 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.311 7.285 9.190 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.737 8.535 10.382 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.154 12.086 9.121 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.708 10.835 7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.813 10.426 9.664 1.00 0.00 H new ATOM 1110 N LYS A 72 20.700 9.130 5.806 1.00 0.00 N ATOM 1111 CA LYS A 72 21.233 9.796 4.623 1.00 0.00 C ATOM 1112 C LYS A 72 20.232 9.730 3.473 1.00 0.00 C ATOM 1113 O LYS A 72 19.320 8.903 3.478 1.00 0.00 O ATOM 1114 CB LYS A 72 22.545 9.132 4.198 1.00 0.00 C ATOM 1115 CG LYS A 72 23.402 10.140 3.430 1.00 0.00 C ATOM 1116 CD LYS A 72 24.519 9.402 2.692 1.00 0.00 C ATOM 1117 CE LYS A 72 24.030 8.992 1.301 1.00 0.00 C ATOM 1118 NZ LYS A 72 23.746 10.214 0.496 1.00 0.00 N ATOM 0 H LYS A 72 20.153 8.291 5.613 1.00 0.00 H new ATOM 0 HA LYS A 72 21.417 10.842 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 72 23.084 8.774 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.339 8.263 3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.785 10.692 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.827 10.871 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 72 25.397 10.042 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 72 24.822 8.520 3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 72 24.784 8.382 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 72 23.131 8.381 1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.719 10.315 0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 24.118 11.050 0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 24.203 10.131 -0.434 1.00 0.00 H new ATOM 1132 N ALA A 73 20.412 10.605 2.488 1.00 0.00 N ATOM 1133 CA ALA A 73 19.521 10.635 1.333 1.00 0.00 C ATOM 1134 C ALA A 73 20.059 9.742 0.220 1.00 0.00 C ATOM 1135 O ALA A 73 21.266 9.681 -0.011 1.00 0.00 O ATOM 1136 CB ALA A 73 19.381 12.069 0.819 1.00 0.00 C ATOM 0 H ALA A 73 21.161 11.298 2.466 1.00 0.00 H new ATOM 0 HA ALA A 73 18.543 10.264 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.714 12.083 -0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.969 12.699 1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.360 12.448 0.527 1.00 0.00 H new ATOM 1142 N LEU A 74 19.154 9.051 -0.467 1.00 0.00 N ATOM 1143 CA LEU A 74 19.552 8.154 -1.546 1.00 0.00 C ATOM 1144 C LEU A 74 19.293 8.800 -2.903 1.00 0.00 C ATOM 1145 O LEU A 74 20.088 9.611 -3.377 1.00 0.00 O ATOM 1146 CB LEU A 74 18.775 6.840 -1.445 1.00 0.00 C ATOM 1147 CG LEU A 74 19.137 6.133 -0.138 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.268 4.887 0.028 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.612 5.724 -0.175 1.00 0.00 C ATOM 0 H LEU A 74 18.149 9.094 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 74 20.619 7.952 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.703 7.035 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.011 6.199 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 74 18.965 6.808 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.527 4.384 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.217 5.177 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.439 4.210 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.873 5.220 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.781 5.049 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.233 6.612 -0.293 1.00 0.00 H new ATOM 1161 N GLY A 75 18.176 8.435 -3.524 1.00 0.00 N ATOM 1162 CA GLY A 75 17.830 8.974 -4.834 1.00 0.00 C ATOM 1163 C GLY A 75 17.724 10.494 -4.787 1.00 0.00 C ATOM 1164 O GLY A 75 18.447 11.153 -4.041 1.00 0.00 O ATOM 0 H GLY A 75 17.499 7.773 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.585 8.681 -5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.883 8.550 -5.168 1.00 0.00 H new ATOM 1168 N LYS A 76 16.818 11.044 -5.589 1.00 0.00 N ATOM 1169 CA LYS A 76 16.634 12.490 -5.639 1.00 0.00 C ATOM 1170 C LYS A 76 16.038 12.999 -4.331 1.00 0.00 C ATOM 1171 O LYS A 76 15.836 14.200 -4.155 1.00 0.00 O ATOM 1172 CB LYS A 76 15.711 12.859 -6.802 1.00 0.00 C ATOM 1173 CG LYS A 76 14.295 12.359 -6.507 1.00 0.00 C ATOM 1174 CD LYS A 76 13.442 12.467 -7.774 1.00 0.00 C ATOM 1175 CE LYS A 76 13.358 13.931 -8.209 1.00 0.00 C ATOM 1176 NZ LYS A 76 14.574 14.286 -8.995 1.00 0.00 N ATOM 0 H LYS A 76 16.204 10.515 -6.209 1.00 0.00 H new ATOM 0 HA LYS A 76 17.608 12.957 -5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.704 13.939 -6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.079 12.416 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.327 11.325 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.850 12.947 -5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.877 11.864 -8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.443 12.074 -7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.463 14.092 -8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.275 14.577 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.176 14.922 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.104 13.421 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.292 14.763 -9.875 1.00 0.00 H new ATOM 1190 N THR A 77 15.760 12.076 -3.416 1.00 0.00 N ATOM 1191 CA THR A 77 15.182 12.441 -2.128 1.00 0.00 C ATOM 1192 C THR A 77 15.918 13.637 -1.531 1.00 0.00 C ATOM 1193 O THR A 77 17.098 13.547 -1.195 1.00 0.00 O ATOM 1194 CB THR A 77 15.264 11.256 -1.163 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.614 10.132 -1.740 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.582 11.622 0.156 1.00 0.00 C ATOM 0 H THR A 77 15.924 11.077 -3.541 1.00 0.00 H new ATOM 0 HA THR A 77 14.137 12.711 -2.283 1.00 0.00 H new ATOM 0 HB THR A 77 16.309 11.013 -0.973 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.131 9.322 -1.550 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.641 10.777 0.843 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.082 12.484 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.536 11.866 -0.031 1.00 0.00 H new ATOM 1204 N LYS A 78 15.212 14.756 -1.404 1.00 0.00 N ATOM 1205 CA LYS A 78 15.811 15.965 -0.852 1.00 0.00 C ATOM 1206 C LYS A 78 15.917 15.864 0.666 1.00 0.00 C ATOM 1207 O LYS A 78 14.909 15.744 1.362 1.00 0.00 O ATOM 1208 CB LYS A 78 14.967 17.185 -1.227 1.00 0.00 C ATOM 1209 CG LYS A 78 15.669 18.458 -0.748 1.00 0.00 C ATOM 1210 CD LYS A 78 14.914 19.684 -1.268 1.00 0.00 C ATOM 1211 CE LYS A 78 13.497 19.693 -0.692 1.00 0.00 C ATOM 1212 NZ LYS A 78 12.603 18.875 -1.558 1.00 0.00 N ATOM 0 H LYS A 78 14.233 14.851 -1.673 1.00 0.00 H new ATOM 0 HA LYS A 78 16.812 16.075 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.821 17.222 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.978 17.110 -0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.708 18.477 0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.699 18.474 -1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.439 20.596 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.875 19.665 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.503 19.294 0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.125 20.716 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.797 19.454 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.133 18.543 -2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.254 18.056 -1.021 1.00 0.00 H new ATOM 1226 N LEU A 79 17.145 15.913 1.173 1.00 0.00 N ATOM 1227 CA LEU A 79 17.371 15.829 2.611 1.00 0.00 C ATOM 1228 C LEU A 79 17.930 17.143 3.145 1.00 0.00 C ATOM 1229 O LEU A 79 18.919 17.664 2.630 1.00 0.00 O ATOM 1230 CB LEU A 79 18.349 14.694 2.919 1.00 0.00 C ATOM 1231 CG LEU A 79 18.598 14.630 4.427 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.275 14.383 5.153 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.569 13.487 4.735 1.00 0.00 C ATOM 0 H LEU A 79 17.993 16.010 0.614 1.00 0.00 H new ATOM 0 HA LEU A 79 16.417 15.630 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.945 13.745 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.289 14.856 2.391 1.00 0.00 H new ATOM 0 HG LEU A 79 19.027 15.574 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.453 14.337 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.582 15.196 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.846 13.440 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.747 13.440 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.140 12.544 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.513 13.662 4.218 1.00 0.00 H new ATOM 1245 N GLU A 80 17.289 17.675 4.181 1.00 0.00 N ATOM 1246 CA GLU A 80 17.726 18.934 4.773 1.00 0.00 C ATOM 1247 C GLU A 80 17.354 18.987 6.252 1.00 0.00 C ATOM 1248 O GLU A 80 16.347 18.419 6.668 1.00 0.00 O ATOM 1249 CB GLU A 80 17.079 20.109 4.038 1.00 0.00 C ATOM 1250 CG GLU A 80 17.545 21.424 4.667 1.00 0.00 C ATOM 1251 CD GLU A 80 19.056 21.565 4.521 1.00 0.00 C ATOM 1252 OE1 GLU A 80 19.600 20.980 3.600 1.00 0.00 O ATOM 1253 OE2 GLU A 80 19.648 22.257 5.333 1.00 0.00 O ATOM 0 H GLU A 80 16.471 17.257 4.625 1.00 0.00 H new ATOM 0 HA GLU A 80 18.810 19.002 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.348 20.083 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.993 20.032 4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.045 22.264 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.269 21.450 5.721 1.00 0.00 H new ATOM 1260 N GLN A 81 18.176 19.675 7.038 1.00 0.00 N ATOM 1261 CA GLN A 81 17.917 19.804 8.468 1.00 0.00 C ATOM 1262 C GLN A 81 17.338 21.178 8.786 1.00 0.00 C ATOM 1263 O GLN A 81 17.669 22.168 8.135 1.00 0.00 O ATOM 1264 CB GLN A 81 19.214 19.600 9.253 1.00 0.00 C ATOM 1265 CG GLN A 81 18.906 19.570 10.751 1.00 0.00 C ATOM 1266 CD GLN A 81 20.192 19.361 11.544 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.246 19.108 10.963 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.166 19.452 12.845 1.00 0.00 N ATOM 0 H GLN A 81 19.019 20.148 6.713 1.00 0.00 H new ATOM 0 HA GLN A 81 17.193 19.042 8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.692 18.668 8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 81 19.916 20.404 9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.431 20.504 11.052 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.200 18.769 10.970 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.290 19.662 13.324 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.021 19.313 13.383 1.00 0.00 H new ATOM 1277 N GLN A 82 16.472 21.230 9.794 1.00 0.00 N ATOM 1278 CA GLN A 82 15.851 22.488 10.190 1.00 0.00 C ATOM 1279 C GLN A 82 16.573 23.087 11.392 1.00 0.00 C ATOM 1280 O GLN A 82 17.439 22.448 11.989 1.00 0.00 O ATOM 1281 CB GLN A 82 14.379 22.257 10.539 1.00 0.00 C ATOM 1282 CG GLN A 82 13.831 21.102 9.699 1.00 0.00 C ATOM 1283 CD GLN A 82 14.131 21.343 8.223 1.00 0.00 C ATOM 1284 OE1 GLN A 82 13.923 22.446 7.719 1.00 0.00 O ATOM 1285 NE2 GLN A 82 14.609 20.370 7.496 1.00 0.00 N ATOM 0 H GLN A 82 16.187 20.422 10.347 1.00 0.00 H new ATOM 0 HA GLN A 82 15.921 23.185 9.355 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.277 22.029 11.600 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.803 23.163 10.351 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.280 20.162 10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.755 21.010 9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.781 19.456 7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.811 20.523 6.508 1.00 0.00 H new ATOM 1294 N GLU A 83 16.211 24.316 11.743 1.00 0.00 N ATOM 1295 CA GLU A 83 16.832 24.992 12.877 1.00 0.00 C ATOM 1296 C GLU A 83 16.428 24.320 14.186 1.00 0.00 C ATOM 1297 O GLU A 83 17.206 24.277 15.139 1.00 0.00 O ATOM 1298 CB GLU A 83 16.412 26.462 12.904 1.00 0.00 C ATOM 1299 CG GLU A 83 14.888 26.557 13.012 1.00 0.00 C ATOM 1300 CD GLU A 83 14.455 26.345 14.459 1.00 0.00 C ATOM 1301 OE1 GLU A 83 15.227 26.679 15.343 1.00 0.00 O ATOM 1302 OE2 GLU A 83 13.358 25.852 14.662 1.00 0.00 O ATOM 0 H GLU A 83 15.496 24.862 11.263 1.00 0.00 H new ATOM 0 HA GLU A 83 17.914 24.927 12.767 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.879 26.969 13.748 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.755 26.966 12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.550 27.532 12.662 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.422 25.809 12.371 1.00 0.00 H new ATOM 1309 N ASN A 84 15.206 23.798 14.224 1.00 0.00 N ATOM 1310 CA ASN A 84 14.708 23.133 15.422 1.00 0.00 C ATOM 1311 C ASN A 84 15.564 21.915 15.755 1.00 0.00 C ATOM 1312 O ASN A 84 15.634 21.489 16.908 1.00 0.00 O ATOM 1313 CB ASN A 84 13.257 22.697 15.211 1.00 0.00 C ATOM 1314 CG ASN A 84 13.126 21.943 13.893 1.00 0.00 C ATOM 1315 OD1 ASN A 84 13.902 20.919 13.657 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.297 22.296 13.054 1.00 0.00 N flip ATOM 0 H ASN A 84 14.547 23.822 13.446 1.00 0.00 H new ATOM 0 HA ASN A 84 14.759 23.836 16.253 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.936 22.062 16.036 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.603 23.569 15.207 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.692 23.096 13.240 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.215 21.789 12.173 1.00 0.00 H new ATOM 1323 N GLY A 85 16.212 21.359 14.737 1.00 0.00 N ATOM 1324 CA GLY A 85 17.071 20.197 14.934 1.00 0.00 C ATOM 1325 C GLY A 85 16.370 18.921 14.481 1.00 0.00 C ATOM 1326 O GLY A 85 16.296 17.944 15.226 1.00 0.00 O ATOM 0 H GLY A 85 16.160 21.691 13.774 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.998 20.326 14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.342 20.114 15.986 1.00 0.00 H new ATOM 1330 N GLU A 86 15.858 18.938 13.255 1.00 0.00 N ATOM 1331 CA GLU A 86 15.182 17.769 12.704 1.00 0.00 C ATOM 1332 C GLU A 86 15.521 17.598 11.227 1.00 0.00 C ATOM 1333 O GLU A 86 15.831 18.569 10.535 1.00 0.00 O ATOM 1334 CB GLU A 86 13.668 17.918 12.865 1.00 0.00 C ATOM 1335 CG GLU A 86 13.314 17.964 14.353 1.00 0.00 C ATOM 1336 CD GLU A 86 11.802 18.064 14.525 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.122 18.247 13.529 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.346 17.959 15.652 1.00 0.00 O ATOM 0 H GLU A 86 15.897 19.742 12.628 1.00 0.00 H new ATOM 0 HA GLU A 86 15.522 16.888 13.248 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.327 18.828 12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.157 17.084 12.384 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.687 17.070 14.852 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.800 18.818 14.825 1.00 0.00 H new ATOM 1345 N TRP A 87 15.461 16.360 10.750 1.00 0.00 N ATOM 1346 CA TRP A 87 15.762 16.074 9.352 1.00 0.00 C ATOM 1347 C TRP A 87 14.478 15.801 8.574 1.00 0.00 C ATOM 1348 O TRP A 87 13.550 15.177 9.090 1.00 0.00 O ATOM 1349 CB TRP A 87 16.688 14.860 9.252 1.00 0.00 C ATOM 1350 CG TRP A 87 18.078 15.260 9.634 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.640 15.053 10.846 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.091 15.916 8.819 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.929 15.552 10.832 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.255 16.093 9.603 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.114 16.374 7.489 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.400 16.702 9.089 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.265 16.986 6.966 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.405 17.151 7.765 1.00 0.00 C ATOM 0 H TRP A 87 15.208 15.543 11.306 1.00 0.00 H new ATOM 0 HA TRP A 87 16.258 16.944 8.922 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.334 14.064 9.907 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.678 14.464 8.236 1.00 0.00 H new ATOM 0 HD1 TRP A 87 18.160 14.576 11.688 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.562 15.524 11.631 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.240 16.254 6.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.276 16.826 9.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.272 17.331 5.943 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.286 17.625 7.358 1.00 0.00 H new ATOM 1369 N VAL A 88 14.432 16.272 7.332 1.00 0.00 N ATOM 1370 CA VAL A 88 13.251 16.081 6.498 1.00 0.00 C ATOM 1371 C VAL A 88 13.634 15.447 5.165 1.00 0.00 C ATOM 1372 O VAL A 88 14.600 15.861 4.523 1.00 0.00 O ATOM 1373 CB VAL A 88 12.565 17.425 6.248 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.403 17.232 5.272 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.031 17.977 7.572 1.00 0.00 C ATOM 0 H VAL A 88 15.192 16.784 6.884 1.00 0.00 H new ATOM 0 HA VAL A 88 12.564 15.415 7.020 1.00 0.00 H new ATOM 0 HB VAL A 88 13.283 18.126 5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.914 18.190 5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.781 16.837 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.684 16.531 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.542 18.935 7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.313 17.275 7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.858 18.115 8.269 1.00 0.00 H new ATOM 1385 N ALA A 89 12.869 14.441 4.753 1.00 0.00 N ATOM 1386 CA ALA A 89 13.133 13.759 3.491 1.00 0.00 C ATOM 1387 C ALA A 89 11.837 13.548 2.715 1.00 0.00 C ATOM 1388 O ALA A 89 11.029 12.687 3.060 1.00 0.00 O ATOM 1389 CB ALA A 89 13.796 12.405 3.757 1.00 0.00 C ATOM 0 H ALA A 89 12.067 14.082 5.270 1.00 0.00 H new ATOM 0 HA ALA A 89 13.803 14.381 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.990 11.902 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.737 12.558 4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.134 11.789 4.366 1.00 0.00 H new ATOM 1395 N SER A 90 11.647 14.342 1.666 1.00 0.00 N ATOM 1396 CA SER A 90 10.440 14.239 0.854 1.00 0.00 C ATOM 1397 C SER A 90 10.780 13.784 -0.561 1.00 0.00 C ATOM 1398 O SER A 90 11.797 14.188 -1.126 1.00 0.00 O ATOM 1399 CB SER A 90 9.732 15.594 0.799 1.00 0.00 C ATOM 1400 OG SER A 90 10.327 16.392 -0.217 1.00 0.00 O ATOM 0 H SER A 90 12.307 15.057 1.360 1.00 0.00 H new ATOM 0 HA SER A 90 9.781 13.501 1.311 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.671 15.455 0.594 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.807 16.096 1.763 1.00 0.00 H new ATOM 0 HG SER A 90 9.875 17.261 -0.257 1.00 0.00 H new ATOM 1406 N VAL A 91 9.923 12.940 -1.127 1.00 0.00 N ATOM 1407 CA VAL A 91 10.136 12.444 -2.482 1.00 0.00 C ATOM 1408 C VAL A 91 8.842 11.866 -3.048 1.00 0.00 C ATOM 1409 O VAL A 91 8.054 11.258 -2.323 1.00 0.00 O ATOM 1410 CB VAL A 91 11.221 11.366 -2.479 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.667 10.085 -1.853 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.660 11.082 -3.917 1.00 0.00 C ATOM 0 H VAL A 91 9.081 12.587 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 91 10.455 13.277 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 91 12.076 11.713 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.440 9.317 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.353 10.287 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.812 9.737 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.433 10.314 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.805 10.735 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.055 11.994 -4.364 1.00 0.00 H new ATOM 1422 N VAL A 92 8.631 12.061 -4.344 1.00 0.00 N ATOM 1423 CA VAL A 92 7.429 11.552 -4.997 1.00 0.00 C ATOM 1424 C VAL A 92 7.754 10.320 -5.837 1.00 0.00 C ATOM 1425 O VAL A 92 8.711 10.320 -6.613 1.00 0.00 O ATOM 1426 CB VAL A 92 6.823 12.635 -5.890 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.480 12.151 -6.440 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.607 13.908 -5.069 1.00 0.00 C ATOM 0 H VAL A 92 9.270 12.563 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 92 6.711 11.272 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 92 7.500 12.845 -6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.048 12.923 -7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.632 11.243 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.802 11.942 -5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.175 14.682 -5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.929 13.697 -4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.563 14.254 -4.675 1.00 0.00 H new ATOM 1438 N VAL A 93 6.951 9.274 -5.678 1.00 0.00 N ATOM 1439 CA VAL A 93 7.163 8.039 -6.424 1.00 0.00 C ATOM 1440 C VAL A 93 6.017 7.801 -7.400 1.00 0.00 C ATOM 1441 O VAL A 93 4.847 7.844 -7.021 1.00 0.00 O ATOM 1442 CB VAL A 93 7.267 6.857 -5.458 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.588 5.584 -6.243 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.382 7.124 -4.444 1.00 0.00 C ATOM 0 H VAL A 93 6.152 9.256 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 93 8.092 8.131 -6.987 1.00 0.00 H new ATOM 0 HB VAL A 93 6.320 6.732 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.662 4.742 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.795 5.393 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.535 5.709 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.457 6.282 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.329 7.249 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.155 8.032 -3.884 1.00 0.00 H new ATOM 1454 N TYR A 94 6.360 7.549 -8.659 1.00 0.00 N ATOM 1455 CA TYR A 94 5.348 7.306 -9.681 1.00 0.00 C ATOM 1456 C TYR A 94 5.003 5.822 -9.751 1.00 0.00 C ATOM 1457 O TYR A 94 5.783 4.971 -9.321 1.00 0.00 O ATOM 1458 CB TYR A 94 5.857 7.782 -11.043 1.00 0.00 C ATOM 1459 CG TYR A 94 6.120 9.268 -10.990 1.00 0.00 C ATOM 1460 CD1 TYR A 94 5.057 10.160 -10.807 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.427 9.752 -11.113 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.300 11.537 -10.751 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.671 11.129 -11.056 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.608 12.023 -10.874 1.00 0.00 C ATOM 1465 OH TYR A 94 6.849 13.380 -10.817 1.00 0.00 O ATOM 0 H TYR A 94 7.322 7.508 -8.994 1.00 0.00 H new ATOM 0 HA TYR A 94 4.449 7.862 -9.416 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.770 7.249 -11.308 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.122 7.559 -11.816 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.049 9.785 -10.709 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.247 9.063 -11.252 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.479 12.225 -10.613 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.680 11.503 -11.152 1.00 0.00 H new ATOM 0 HH TYR A 94 7.809 13.546 -10.918 1.00 0.00 H new ATOM 1475 N PRO A 95 3.855 5.503 -10.282 1.00 0.00 N ATOM 1476 CA PRO A 95 3.386 4.093 -10.406 1.00 0.00 C ATOM 1477 C PRO A 95 4.309 3.258 -11.291 1.00 0.00 C ATOM 1478 O PRO A 95 5.175 3.794 -11.983 1.00 0.00 O ATOM 1479 CB PRO A 95 1.994 4.215 -11.034 1.00 0.00 C ATOM 1480 CG PRO A 95 1.577 5.634 -10.821 1.00 0.00 C ATOM 1481 CD PRO A 95 2.853 6.473 -10.832 1.00 0.00 C ATOM 0 HA PRO A 95 3.375 3.584 -9.442 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.021 3.970 -12.096 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.291 3.526 -10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.894 5.958 -11.606 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.050 5.744 -9.874 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.115 6.808 -11.836 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.763 7.365 -10.212 1.00 0.00 H new ATOM 1489 N CYS A 96 4.118 1.943 -11.260 1.00 0.00 N ATOM 1490 CA CYS A 96 4.936 1.043 -12.063 1.00 0.00 C ATOM 1491 C CYS A 96 6.398 1.477 -12.029 1.00 0.00 C ATOM 1492 O CYS A 96 7.182 1.120 -12.909 1.00 0.00 O ATOM 1493 CB CYS A 96 4.437 1.034 -13.509 1.00 0.00 C ATOM 1494 SG CYS A 96 4.953 2.560 -14.334 1.00 0.00 S ATOM 0 H CYS A 96 3.409 1.480 -10.692 1.00 0.00 H new ATOM 0 HA CYS A 96 4.857 0.039 -11.646 1.00 0.00 H new ATOM 0 HB2 CYS A 96 4.837 0.169 -14.038 1.00 0.00 H new ATOM 0 HB3 CYS A 96 3.351 0.946 -13.530 1.00 0.00 H new ATOM 0 HG CYS A 96 5.315 3.434 -13.443 1.00 0.00 H new ATOM 1500 N GLU A 97 6.757 2.246 -11.007 1.00 0.00 N ATOM 1501 CA GLU A 97 8.129 2.719 -10.863 1.00 0.00 C ATOM 1502 C GLU A 97 8.573 2.641 -9.405 1.00 0.00 C ATOM 1503 O GLU A 97 7.757 2.763 -8.491 1.00 0.00 O ATOM 1504 CB GLU A 97 8.238 4.164 -11.355 1.00 0.00 C ATOM 1505 CG GLU A 97 8.155 4.191 -12.882 1.00 0.00 C ATOM 1506 CD GLU A 97 9.423 3.595 -13.483 1.00 0.00 C ATOM 1507 OE1 GLU A 97 10.398 3.473 -12.760 1.00 0.00 O ATOM 1508 OE2 GLU A 97 9.401 3.271 -14.660 1.00 0.00 O ATOM 0 H GLU A 97 6.122 2.554 -10.270 1.00 0.00 H new ATOM 0 HA GLU A 97 8.778 2.081 -11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.437 4.767 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.179 4.602 -11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.284 3.628 -13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.025 5.216 -13.229 1.00 0.00 H new ATOM 1515 N THR A 98 9.869 2.438 -9.197 1.00 0.00 N ATOM 1516 CA THR A 98 10.410 2.344 -7.845 1.00 0.00 C ATOM 1517 C THR A 98 11.607 3.277 -7.683 1.00 0.00 C ATOM 1518 O THR A 98 12.456 3.372 -8.569 1.00 0.00 O ATOM 1519 CB THR A 98 10.839 0.905 -7.552 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.927 0.005 -8.167 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.848 0.671 -6.041 1.00 0.00 C ATOM 0 H THR A 98 10.560 2.336 -9.940 1.00 0.00 H new ATOM 0 HA THR A 98 9.633 2.641 -7.141 1.00 0.00 H new ATOM 0 HB THR A 98 11.840 0.736 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.422 -0.744 -8.560 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.154 -0.354 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.548 1.361 -5.570 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.848 0.840 -5.641 1.00 0.00 H new ATOM 1529 N GLU A 99 11.666 3.962 -6.546 1.00 0.00 N ATOM 1530 CA GLU A 99 12.759 4.891 -6.282 1.00 0.00 C ATOM 1531 C GLU A 99 13.314 4.682 -4.877 1.00 0.00 C ATOM 1532 O GLU A 99 12.645 4.118 -4.012 1.00 0.00 O ATOM 1533 CB GLU A 99 12.267 6.332 -6.430 1.00 0.00 C ATOM 1534 CG GLU A 99 11.673 6.529 -7.827 1.00 0.00 C ATOM 1535 CD GLU A 99 11.272 7.987 -8.022 1.00 0.00 C ATOM 1536 OE1 GLU A 99 11.316 8.728 -7.053 1.00 0.00 O ATOM 1537 OE2 GLU A 99 10.927 8.341 -9.137 1.00 0.00 O ATOM 0 H GLU A 99 10.976 3.893 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 99 13.553 4.702 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.517 6.551 -5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.092 7.027 -6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.401 6.239 -8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.804 5.884 -7.956 1.00 0.00 H new ATOM 1544 N MET A 100 14.541 5.143 -4.658 1.00 0.00 N ATOM 1545 CA MET A 100 15.174 5.010 -3.349 1.00 0.00 C ATOM 1546 C MET A 100 14.743 6.146 -2.427 1.00 0.00 C ATOM 1547 O MET A 100 14.432 7.246 -2.885 1.00 0.00 O ATOM 1548 CB MET A 100 16.696 5.027 -3.503 1.00 0.00 C ATOM 1549 CG MET A 100 17.121 3.957 -4.510 1.00 0.00 C ATOM 1550 SD MET A 100 16.582 2.331 -3.927 1.00 0.00 S ATOM 1551 CE MET A 100 17.599 2.276 -2.431 1.00 0.00 C ATOM 0 H MET A 100 15.113 5.608 -5.362 1.00 0.00 H new ATOM 0 HA MET A 100 14.862 4.062 -2.910 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.027 6.010 -3.840 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.171 4.843 -2.539 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.685 4.168 -5.486 1.00 0.00 H new ATOM 0 HG3 MET A 100 18.204 3.970 -4.635 1.00 0.00 H new ATOM 0 HE1 MET A 100 17.823 1.239 -2.181 1.00 0.00 H new ATOM 0 HE2 MET A 100 18.530 2.817 -2.604 1.00 0.00 H new ATOM 0 HE3 MET A 100 17.058 2.739 -1.606 1.00 0.00 H new ATOM 1561 N PHE A 101 14.729 5.873 -1.127 1.00 0.00 N ATOM 1562 CA PHE A 101 14.322 6.876 -0.150 1.00 0.00 C ATOM 1563 C PHE A 101 15.519 7.334 0.676 1.00 0.00 C ATOM 1564 O PHE A 101 16.333 8.137 0.217 1.00 0.00 O ATOM 1565 CB PHE A 101 13.250 6.300 0.777 1.00 0.00 C ATOM 1566 CG PHE A 101 12.801 7.367 1.747 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.548 8.665 1.289 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.586 7.044 3.092 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.093 9.645 2.180 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.130 8.024 3.983 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.884 9.324 3.526 1.00 0.00 C ATOM 0 H PHE A 101 14.993 4.972 -0.727 1.00 0.00 H new ATOM 0 HA PHE A 101 13.914 7.733 -0.686 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.402 5.943 0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.646 5.442 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.704 8.911 0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.772 6.040 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.903 10.648 1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.968 7.777 5.022 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.533 10.080 4.213 1.00 0.00 H new ATOM 1581 N ILE A 102 15.621 6.820 1.897 1.00 0.00 N ATOM 1582 CA ILE A 102 16.733 7.168 2.774 1.00 0.00 C ATOM 1583 C ILE A 102 17.369 5.912 3.360 1.00 0.00 C ATOM 1584 O ILE A 102 16.756 4.844 3.374 1.00 0.00 O ATOM 1585 CB ILE A 102 16.242 8.072 3.906 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.365 7.258 4.861 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.424 9.224 3.321 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.251 6.524 5.869 1.00 0.00 C ATOM 0 H ILE A 102 14.951 6.165 2.300 1.00 0.00 H new ATOM 0 HA ILE A 102 17.482 7.698 2.186 1.00 0.00 H new ATOM 0 HB ILE A 102 17.098 8.474 4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.670 7.916 5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.765 6.542 4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.074 9.868 4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.047 9.803 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.567 8.823 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.626 5.945 6.549 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.928 5.854 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.831 7.249 6.439 1.00 0.00 H new ATOM 1600 N GLU A 103 18.599 6.047 3.845 1.00 0.00 N ATOM 1601 CA GLU A 103 19.306 4.916 4.434 1.00 0.00 C ATOM 1602 C GLU A 103 19.925 5.308 5.772 1.00 0.00 C ATOM 1603 O GLU A 103 19.766 6.440 6.232 1.00 0.00 O ATOM 1604 CB GLU A 103 20.404 4.433 3.484 1.00 0.00 C ATOM 1605 CG GLU A 103 21.468 5.523 3.338 1.00 0.00 C ATOM 1606 CD GLU A 103 22.493 5.111 2.287 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.425 3.982 1.830 1.00 0.00 O ATOM 1608 OE2 GLU A 103 23.332 5.932 1.953 1.00 0.00 O ATOM 0 H GLU A 103 19.124 6.922 3.842 1.00 0.00 H new ATOM 0 HA GLU A 103 18.590 4.111 4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.856 3.518 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.977 4.193 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 103 20.999 6.465 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.963 5.691 4.295 1.00 0.00 H new ATOM 1615 N GLY A 104 20.628 4.367 6.393 1.00 0.00 N ATOM 1616 CA GLY A 104 21.270 4.626 7.676 1.00 0.00 C ATOM 1617 C GLY A 104 20.418 4.099 8.827 1.00 0.00 C ATOM 1618 O GLY A 104 19.540 3.261 8.627 1.00 0.00 O ATOM 0 H GLY A 104 20.767 3.424 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.252 4.152 7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.430 5.697 7.797 1.00 0.00 H new ATOM 1622 N ARG A 105 20.684 4.597 10.030 1.00 0.00 N ATOM 1623 CA ARG A 105 19.939 4.164 11.207 1.00 0.00 C ATOM 1624 C ARG A 105 18.796 5.130 11.500 1.00 0.00 C ATOM 1625 O ARG A 105 18.937 6.342 11.333 1.00 0.00 O ATOM 1626 CB ARG A 105 20.872 4.090 12.418 1.00 0.00 C ATOM 1627 CG ARG A 105 20.137 3.440 13.591 1.00 0.00 C ATOM 1628 CD ARG A 105 21.039 3.446 14.826 1.00 0.00 C ATOM 1629 NE ARG A 105 22.257 2.686 14.566 1.00 0.00 N ATOM 1630 CZ ARG A 105 23.209 2.577 15.487 1.00 0.00 C ATOM 1631 NH1 ARG A 105 23.062 3.154 16.648 1.00 0.00 N ATOM 1632 NH2 ARG A 105 24.290 1.893 15.230 1.00 0.00 N ATOM 0 H ARG A 105 21.404 5.295 10.215 1.00 0.00 H new ATOM 0 HA ARG A 105 19.524 3.176 11.009 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.763 3.513 12.169 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.206 5.090 12.694 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.214 3.980 13.800 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.857 2.418 13.337 1.00 0.00 H new ATOM 0 HD2 ARG A 105 21.292 4.471 15.095 1.00 0.00 H new ATOM 0 HD3 ARG A 105 20.508 3.016 15.675 1.00 0.00 H new ATOM 0 HE ARG A 105 22.380 2.230 13.662 1.00 0.00 H new ATOM 0 HH11 ARG A 105 22.217 3.688 16.849 1.00 0.00 H new ATOM 0 HH12 ARG A 105 23.792 3.071 17.355 1.00 0.00 H new ATOM 0 HH21 ARG A 105 24.404 1.442 14.322 1.00 0.00 H new ATOM 0 HH22 ARG A 105 25.021 1.809 15.937 1.00 0.00 H new ATOM 1646 N VAL A 106 17.663 4.587 11.935 1.00 0.00 N ATOM 1647 CA VAL A 106 16.502 5.414 12.244 1.00 0.00 C ATOM 1648 C VAL A 106 16.024 5.163 13.670 1.00 0.00 C ATOM 1649 O VAL A 106 15.925 4.018 14.111 1.00 0.00 O ATOM 1650 CB VAL A 106 15.369 5.107 11.263 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.357 6.255 11.276 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.942 4.952 9.853 1.00 0.00 C ATOM 0 H VAL A 106 17.525 3.587 12.080 1.00 0.00 H new ATOM 0 HA VAL A 106 16.792 6.461 12.152 1.00 0.00 H new ATOM 0 HB VAL A 106 14.875 4.182 11.559 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.550 6.036 10.577 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.947 6.368 12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.852 7.180 10.980 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.135 4.733 9.154 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.437 5.877 9.558 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.663 4.135 9.841 1.00 0.00 H new ATOM 1662 N ASN A 107 15.724 6.244 14.384 1.00 0.00 N ATOM 1663 CA ASN A 107 15.255 6.136 15.761 1.00 0.00 C ATOM 1664 C ASN A 107 14.270 7.257 16.073 1.00 0.00 C ATOM 1665 O ASN A 107 14.615 8.436 16.007 1.00 0.00 O ATOM 1666 CB ASN A 107 16.440 6.212 16.726 1.00 0.00 C ATOM 1667 CG ASN A 107 17.562 7.040 16.111 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.994 6.769 14.991 1.00 0.00 O ATOM 1669 ND2 ASN A 107 18.063 8.043 16.781 1.00 0.00 N ATOM 0 H ASN A 107 15.797 7.199 14.034 1.00 0.00 H new ATOM 0 HA ASN A 107 14.752 5.176 15.882 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.123 6.657 17.669 1.00 0.00 H new ATOM 0 HB3 ASN A 107 16.800 5.208 16.952 1.00 0.00 H new ATOM 0 HD21 ASN A 107 18.813 8.603 16.376 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.704 8.266 17.709 1.00 0.00 H new ATOM 1676 N GLY A 108 13.039 6.882 16.409 1.00 0.00 N ATOM 1677 CA GLY A 108 12.014 7.869 16.727 1.00 0.00 C ATOM 1678 C GLY A 108 11.833 8.848 15.572 1.00 0.00 C ATOM 1679 O GLY A 108 12.645 9.753 15.383 1.00 0.00 O ATOM 0 H GLY A 108 12.730 5.912 16.468 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.070 7.366 16.935 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.292 8.412 17.630 1.00 0.00 H new ATOM 1683 N PHE A 109 10.769 8.658 14.799 1.00 0.00 N ATOM 1684 CA PHE A 109 10.506 9.529 13.660 1.00 0.00 C ATOM 1685 C PHE A 109 9.014 9.565 13.339 1.00 0.00 C ATOM 1686 O PHE A 109 8.279 8.631 13.657 1.00 0.00 O ATOM 1687 CB PHE A 109 11.278 9.032 12.437 1.00 0.00 C ATOM 1688 CG PHE A 109 10.893 7.599 12.152 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.499 6.557 12.863 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.920 7.315 11.185 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.135 5.229 12.605 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.557 5.988 10.928 1.00 0.00 C ATOM 1693 CZ PHE A 109 10.163 4.945 11.639 1.00 0.00 C ATOM 0 H PHE A 109 10.082 7.917 14.938 1.00 0.00 H new ATOM 0 HA PHE A 109 10.833 10.537 13.916 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.056 9.659 11.573 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.351 9.104 12.616 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.247 6.777 13.610 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.450 8.119 10.638 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.604 4.424 13.152 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.809 5.768 10.181 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.880 3.921 11.442 1.00 0.00 H new ATOM 1703 N LYS A 110 8.578 10.648 12.705 1.00 0.00 N ATOM 1704 CA LYS A 110 7.177 10.790 12.326 1.00 0.00 C ATOM 1705 C LYS A 110 7.012 10.597 10.821 1.00 0.00 C ATOM 1706 O LYS A 110 7.748 11.182 10.027 1.00 0.00 O ATOM 1707 CB LYS A 110 6.664 12.175 12.726 1.00 0.00 C ATOM 1708 CG LYS A 110 6.846 12.371 14.234 1.00 0.00 C ATOM 1709 CD LYS A 110 6.063 13.605 14.687 1.00 0.00 C ATOM 1710 CE LYS A 110 6.552 14.831 13.914 1.00 0.00 C ATOM 1711 NZ LYS A 110 8.036 14.785 13.794 1.00 0.00 N ATOM 0 H LYS A 110 9.170 11.436 12.444 1.00 0.00 H new ATOM 0 HA LYS A 110 6.598 10.027 12.846 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.206 12.947 12.180 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.612 12.276 12.460 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.497 11.489 14.771 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.903 12.491 14.471 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.997 13.455 14.516 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.195 13.760 15.758 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.097 14.855 12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.246 15.743 14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.399 15.741 13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.445 14.431 14.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.302 14.151 13.013 1.00 0.00 H new ATOM 1725 N SER A 111 6.047 9.769 10.439 1.00 0.00 N ATOM 1726 CA SER A 111 5.807 9.489 9.027 1.00 0.00 C ATOM 1727 C SER A 111 4.458 10.046 8.584 1.00 0.00 C ATOM 1728 O SER A 111 3.455 9.909 9.286 1.00 0.00 O ATOM 1729 CB SER A 111 5.843 7.982 8.783 1.00 0.00 C ATOM 1730 OG SER A 111 7.046 7.448 9.321 1.00 0.00 O ATOM 0 H SER A 111 5.422 9.282 11.081 1.00 0.00 H new ATOM 0 HA SER A 111 6.591 9.973 8.445 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.980 7.506 9.248 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.785 7.773 7.715 1.00 0.00 H new ATOM 0 HG SER A 111 7.072 6.480 9.168 1.00 0.00 H new ATOM 1736 N LYS A 112 4.442 10.671 7.410 1.00 0.00 N ATOM 1737 CA LYS A 112 3.211 11.228 6.862 1.00 0.00 C ATOM 1738 C LYS A 112 3.174 11.043 5.349 1.00 0.00 C ATOM 1739 O LYS A 112 4.075 11.492 4.639 1.00 0.00 O ATOM 1740 CB LYS A 112 3.112 12.717 7.199 1.00 0.00 C ATOM 1741 CG LYS A 112 1.770 13.264 6.709 1.00 0.00 C ATOM 1742 CD LYS A 112 1.519 14.638 7.333 1.00 0.00 C ATOM 1743 CE LYS A 112 2.629 15.601 6.911 1.00 0.00 C ATOM 1744 NZ LYS A 112 2.169 17.005 7.106 1.00 0.00 N ATOM 0 H LYS A 112 5.265 10.804 6.822 1.00 0.00 H new ATOM 0 HA LYS A 112 2.366 10.702 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.205 12.864 8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.932 13.262 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.772 13.342 5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.966 12.579 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.550 15.022 7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.488 14.556 8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.528 15.417 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.892 15.435 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.924 17.661 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.323 17.177 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.939 17.159 8.109 1.00 0.00 H new ATOM 1758 N MET A 113 2.134 10.375 4.861 1.00 0.00 N ATOM 1759 CA MET A 113 2.005 10.128 3.428 1.00 0.00 C ATOM 1760 C MET A 113 0.618 10.522 2.929 1.00 0.00 C ATOM 1761 O MET A 113 -0.267 10.859 3.716 1.00 0.00 O ATOM 1762 CB MET A 113 2.250 8.648 3.131 1.00 0.00 C ATOM 1763 CG MET A 113 3.630 8.245 3.651 1.00 0.00 C ATOM 1764 SD MET A 113 3.518 7.849 5.414 1.00 0.00 S ATOM 1765 CE MET A 113 3.039 6.113 5.225 1.00 0.00 C ATOM 0 H MET A 113 1.375 9.998 5.429 1.00 0.00 H new ATOM 0 HA MET A 113 2.747 10.735 2.910 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.479 8.039 3.604 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.187 8.466 2.058 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.002 7.383 3.097 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.341 9.056 3.494 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.051 5.624 6.199 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.036 6.056 4.803 1.00 0.00 H new ATOM 0 HE3 MET A 113 3.742 5.612 4.559 1.00 0.00 H new ATOM 1775 N ASP A 114 0.440 10.475 1.612 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.841 10.821 1.007 1.00 0.00 C ATOM 1777 C ASP A 114 -0.932 10.247 -0.404 1.00 0.00 C ATOM 1778 O ASP A 114 0.043 9.708 -0.928 1.00 0.00 O ATOM 1779 CB ASP A 114 -1.001 12.342 0.953 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.460 12.705 0.704 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.276 11.799 0.657 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.742 13.884 0.563 1.00 0.00 O ATOM 0 H ASP A 114 1.163 10.202 0.946 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.639 10.396 1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.662 12.785 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.375 12.754 0.161 1.00 0.00 H new ATOM 1787 N ALA A 115 -2.108 10.363 -1.014 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.307 9.849 -2.365 1.00 0.00 C ATOM 1789 C ALA A 115 -2.849 10.940 -3.283 1.00 0.00 C ATOM 1790 O ALA A 115 -4.061 11.086 -3.442 1.00 0.00 O ATOM 1791 CB ALA A 115 -3.283 8.672 -2.339 1.00 0.00 C ATOM 0 H ALA A 115 -2.929 10.803 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.343 9.514 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.425 8.295 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.880 7.879 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.241 9.002 -1.937 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.943 11.702 -3.886 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.340 12.776 -4.788 1.00 0.00 C ATOM 1799 C LEU A 116 -2.482 12.251 -6.214 1.00 0.00 C ATOM 1800 O LEU A 116 -1.822 11.287 -6.601 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.299 13.897 -4.755 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.791 14.076 -3.321 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.143 15.286 -3.256 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.980 14.300 -2.385 1.00 0.00 C ATOM 0 H LEU A 116 -0.935 11.597 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.303 13.166 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.469 13.657 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.738 14.827 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.248 13.182 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.504 15.413 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.990 15.128 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.399 16.181 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.620 14.428 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.522 15.194 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.646 13.438 -2.430 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.330 12.867 -6.991 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.564 12.468 -8.409 1.00 0.00 C ATOM 1818 C PRO A 117 -2.377 12.813 -9.307 1.00 0.00 C ATOM 1819 O PRO A 117 -1.778 13.879 -9.176 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.805 13.267 -8.818 1.00 0.00 C ATOM 1821 CG PRO A 117 -4.824 14.465 -7.926 1.00 0.00 C ATOM 1822 CD PRO A 117 -4.185 14.036 -6.607 1.00 0.00 C ATOM 0 HA PRO A 117 -3.695 11.391 -8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.754 13.560 -9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.711 12.673 -8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.271 15.291 -8.374 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.844 14.814 -7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.592 14.839 -6.169 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.937 13.757 -5.869 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.046 11.903 -10.217 1.00 0.00 N ATOM 1831 CA LEU A 118 -0.928 12.122 -11.127 1.00 0.00 C ATOM 1832 C LEU A 118 -0.991 13.525 -11.722 1.00 0.00 C ATOM 1833 O LEU A 118 -1.800 13.797 -12.609 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.958 11.088 -12.255 1.00 0.00 C ATOM 1835 CG LEU A 118 -1.009 9.681 -11.660 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.060 8.652 -12.790 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.241 9.440 -10.809 1.00 0.00 C ATOM 0 H LEU A 118 -2.531 11.015 -10.344 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.001 12.017 -10.564 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.826 11.256 -12.893 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.075 11.196 -12.884 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.898 9.583 -11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.096 7.648 -12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.949 8.822 -13.397 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.171 8.751 -13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.204 8.437 -10.385 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.130 9.538 -11.432 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.280 10.173 -10.003 1.00 0.00 H new ATOM 1849 N SER A 119 -0.135 14.411 -11.225 1.00 0.00 N ATOM 1850 CA SER A 119 -0.106 15.785 -11.712 1.00 0.00 C ATOM 1851 C SER A 119 0.535 15.850 -13.094 1.00 0.00 C ATOM 1852 O SER A 119 0.874 14.822 -13.679 1.00 0.00 O ATOM 1853 CB SER A 119 0.681 16.665 -10.740 1.00 0.00 C ATOM 1854 OG SER A 119 -0.117 16.928 -9.593 1.00 0.00 O ATOM 0 H SER A 119 0.543 14.205 -10.491 1.00 0.00 H new ATOM 0 HA SER A 119 -1.131 16.148 -11.783 1.00 0.00 H new ATOM 0 HB2 SER A 119 1.606 16.167 -10.448 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.962 17.600 -11.224 1.00 0.00 H new ATOM 0 HG SER A 119 0.385 17.490 -8.967 1.00 0.00 H new ATOM 1860 N GLU A 120 0.699 17.064 -13.607 1.00 0.00 N ATOM 1861 CA GLU A 120 1.295 17.249 -14.925 1.00 0.00 C ATOM 1862 C GLU A 120 2.704 16.666 -14.959 1.00 0.00 C ATOM 1863 O GLU A 120 3.163 16.185 -15.996 1.00 0.00 O ATOM 1864 CB GLU A 120 1.349 18.739 -15.270 1.00 0.00 C ATOM 1865 CG GLU A 120 2.320 19.449 -14.323 1.00 0.00 C ATOM 1866 CD GLU A 120 2.214 20.959 -14.506 1.00 0.00 C ATOM 1867 OE1 GLU A 120 1.459 21.381 -15.368 1.00 0.00 O ATOM 1868 OE2 GLU A 120 2.889 21.672 -13.782 1.00 0.00 O ATOM 0 H GLU A 120 0.430 17.928 -13.136 1.00 0.00 H new ATOM 0 HA GLU A 120 0.679 16.729 -15.659 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.670 18.872 -16.303 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.355 19.179 -15.185 1.00 0.00 H new ATOM 0 HG2 GLU A 120 2.095 19.183 -13.290 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.340 19.121 -14.521 1.00 0.00 H new ATOM 1875 N GLU A 121 3.385 16.709 -13.819 1.00 0.00 N ATOM 1876 CA GLU A 121 4.741 16.184 -13.730 1.00 0.00 C ATOM 1877 C GLU A 121 4.774 14.716 -14.142 1.00 0.00 C ATOM 1878 O GLU A 121 5.718 14.264 -14.791 1.00 0.00 O ATOM 1879 CB GLU A 121 5.265 16.326 -12.300 1.00 0.00 C ATOM 1880 CG GLU A 121 4.526 15.349 -11.385 1.00 0.00 C ATOM 1881 CD GLU A 121 4.820 15.678 -9.925 1.00 0.00 C ATOM 1882 OE1 GLU A 121 5.624 16.565 -9.689 1.00 0.00 O ATOM 1883 OE2 GLU A 121 4.236 15.039 -9.065 1.00 0.00 O ATOM 0 H GLU A 121 3.022 17.100 -12.949 1.00 0.00 H new ATOM 0 HA GLU A 121 5.376 16.755 -14.407 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.336 16.126 -12.273 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.122 17.348 -11.949 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.453 15.405 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.835 14.327 -11.605 1.00 0.00 H new ATOM 1890 N TYR A 122 3.736 13.977 -13.765 1.00 0.00 N ATOM 1891 CA TYR A 122 3.655 12.562 -14.110 1.00 0.00 C ATOM 1892 C TYR A 122 3.641 12.383 -15.624 1.00 0.00 C ATOM 1893 O TYR A 122 4.284 11.479 -16.158 1.00 0.00 O ATOM 1894 CB TYR A 122 2.388 11.948 -13.509 1.00 0.00 C ATOM 1895 CG TYR A 122 2.166 10.578 -14.102 1.00 0.00 C ATOM 1896 CD1 TYR A 122 2.999 9.513 -13.738 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.127 10.372 -15.018 1.00 0.00 C ATOM 1898 CE1 TYR A 122 2.795 8.243 -14.291 1.00 0.00 C ATOM 1899 CE2 TYR A 122 0.924 9.102 -15.571 1.00 0.00 C ATOM 1900 CZ TYR A 122 1.758 8.038 -15.207 1.00 0.00 C ATOM 1901 OH TYR A 122 1.557 6.786 -15.753 1.00 0.00 O ATOM 0 H TYR A 122 2.946 14.330 -13.225 1.00 0.00 H new ATOM 0 HA TYR A 122 4.530 12.056 -13.702 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.484 11.876 -12.426 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.529 12.588 -13.711 1.00 0.00 H new ATOM 0 HD1 TYR A 122 3.799 9.671 -13.030 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.483 11.192 -15.298 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.438 7.422 -14.010 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.124 8.943 -16.279 1.00 0.00 H new ATOM 0 HH TYR A 122 0.796 6.816 -16.369 1.00 0.00 H new ATOM 1911 N ARG A 123 2.906 13.251 -16.310 1.00 0.00 N ATOM 1912 CA ARG A 123 2.818 13.182 -17.764 1.00 0.00 C ATOM 1913 C ARG A 123 4.203 13.301 -18.388 1.00 0.00 C ATOM 1914 O ARG A 123 4.534 12.586 -19.334 1.00 0.00 O ATOM 1915 CB ARG A 123 1.922 14.307 -18.288 1.00 0.00 C ATOM 1916 CG ARG A 123 0.523 14.169 -17.686 1.00 0.00 C ATOM 1917 CD ARG A 123 -0.432 15.136 -18.386 1.00 0.00 C ATOM 1918 NE ARG A 123 -0.656 14.714 -19.764 1.00 0.00 N ATOM 1919 CZ ARG A 123 -1.595 15.283 -20.513 1.00 0.00 C ATOM 1920 NH1 ARG A 123 -2.336 16.236 -20.018 1.00 0.00 N ATOM 1921 NH2 ARG A 123 -1.775 14.888 -21.743 1.00 0.00 N ATOM 0 H ARG A 123 2.366 14.006 -15.887 1.00 0.00 H new ATOM 0 HA ARG A 123 2.388 12.219 -18.039 1.00 0.00 H new ATOM 0 HB2 ARG A 123 2.347 15.276 -18.027 1.00 0.00 H new ATOM 0 HB3 ARG A 123 1.867 14.265 -19.376 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.167 13.145 -17.798 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.553 14.381 -16.617 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -1.381 15.173 -17.851 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -0.017 16.144 -18.370 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.082 13.969 -20.160 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.195 16.544 -19.056 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -3.057 16.673 -20.593 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.195 14.143 -22.129 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -2.495 15.324 -22.318 1.00 0.00 H new ATOM 1935 N GLN A 124 5.011 14.210 -17.852 1.00 0.00 N ATOM 1936 CA GLN A 124 6.363 14.412 -18.359 1.00 0.00 C ATOM 1937 C GLN A 124 7.243 13.209 -18.031 1.00 0.00 C ATOM 1938 O GLN A 124 8.086 12.808 -18.833 1.00 0.00 O ATOM 1939 CB GLN A 124 6.970 15.673 -17.741 1.00 0.00 C ATOM 1940 CG GLN A 124 8.313 15.972 -18.409 1.00 0.00 C ATOM 1941 CD GLN A 124 8.913 17.246 -17.823 1.00 0.00 C ATOM 1942 OE1 GLN A 124 8.271 17.925 -17.023 1.00 0.00 O ATOM 1943 NE2 GLN A 124 10.115 17.611 -18.176 1.00 0.00 N ATOM 0 H GLN A 124 4.755 14.815 -17.072 1.00 0.00 H new ATOM 0 HA GLN A 124 6.311 14.527 -19.442 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.292 16.517 -17.870 1.00 0.00 H new ATOM 0 HB3 GLN A 124 7.108 15.535 -16.669 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.997 15.136 -18.261 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.177 16.085 -19.484 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.645 17.046 -18.840 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.524 18.461 -17.788 1.00 0.00 H new ATOM 1952 N HIS A 125 7.040 12.639 -16.848 1.00 0.00 N ATOM 1953 CA HIS A 125 7.820 11.483 -16.425 1.00 0.00 C ATOM 1954 C HIS A 125 7.703 10.356 -17.444 1.00 0.00 C ATOM 1955 O HIS A 125 8.650 9.599 -17.662 1.00 0.00 O ATOM 1956 CB HIS A 125 7.331 10.994 -15.060 1.00 0.00 C ATOM 1957 CG HIS A 125 7.885 9.622 -14.791 1.00 0.00 C ATOM 1958 ND1 HIS A 125 9.174 9.425 -14.323 1.00 0.00 N ATOM 1959 CD2 HIS A 125 7.336 8.369 -14.916 1.00 0.00 C ATOM 1960 CE1 HIS A 125 9.357 8.099 -14.183 1.00 0.00 C ATOM 1961 NE2 HIS A 125 8.267 7.410 -14.531 1.00 0.00 N ATOM 0 H HIS A 125 6.347 12.956 -16.170 1.00 0.00 H new ATOM 0 HA HIS A 125 8.866 11.781 -16.350 1.00 0.00 H new ATOM 0 HB2 HIS A 125 7.648 11.685 -14.279 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.241 10.968 -15.040 1.00 0.00 H new ATOM 0 HD1 HIS A 125 9.860 10.153 -14.121 1.00 0.00 H new ATOM 0 HD2 HIS A 125 6.334 8.160 -15.261 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.273 7.647 -13.832 1.00 0.00 H new ATOM 1970 N GLN A 126 6.533 10.249 -18.068 1.00 0.00 N ATOM 1971 CA GLN A 126 6.298 9.207 -19.059 1.00 0.00 C ATOM 1972 C GLN A 126 6.625 9.717 -20.459 1.00 0.00 C ATOM 1973 O GLN A 126 7.026 8.949 -21.333 1.00 0.00 O ATOM 1974 CB GLN A 126 4.837 8.756 -19.006 1.00 0.00 C ATOM 1975 CG GLN A 126 4.507 8.259 -17.597 1.00 0.00 C ATOM 1976 CD GLN A 126 5.155 6.899 -17.359 1.00 0.00 C ATOM 1977 OE1 GLN A 126 6.370 6.812 -17.178 1.00 0.00 O ATOM 1978 NE2 GLN A 126 4.413 5.825 -17.348 1.00 0.00 N ATOM 0 H GLN A 126 5.738 10.868 -17.905 1.00 0.00 H new ATOM 0 HA GLN A 126 6.947 8.361 -18.832 1.00 0.00 H new ATOM 0 HB2 GLN A 126 4.180 9.583 -19.274 1.00 0.00 H new ATOM 0 HB3 GLN A 126 4.664 7.962 -19.733 1.00 0.00 H new ATOM 0 HG2 GLN A 126 4.863 8.975 -16.857 1.00 0.00 H new ATOM 0 HG3 GLN A 126 3.427 8.183 -17.473 1.00 0.00 H new ATOM 0 HE21 GLN A 126 3.407 5.899 -17.498 1.00 0.00 H new ATOM 0 HE22 GLN A 126 4.839 4.912 -17.189 1.00 0.00 H new ATOM 1987 N ALA A 127 6.452 11.020 -20.664 1.00 0.00 N ATOM 1988 CA ALA A 127 6.726 11.621 -21.965 1.00 0.00 C ATOM 1989 C ALA A 127 8.210 11.518 -22.298 1.00 0.00 C ATOM 1990 O ALA A 127 8.584 11.284 -23.447 1.00 0.00 O ATOM 1991 CB ALA A 127 6.302 13.090 -21.960 1.00 0.00 C ATOM 0 H ALA A 127 6.126 11.675 -19.953 1.00 0.00 H new ATOM 0 HA ALA A 127 6.157 11.082 -22.722 1.00 0.00 H new ATOM 0 HB1 ALA A 127 6.510 13.532 -22.935 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.235 13.160 -21.750 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.859 13.627 -21.192 1.00 0.00 H new ATOM 1997 N GLU A 128 9.052 11.694 -21.285 1.00 0.00 N ATOM 1998 CA GLU A 128 10.496 11.627 -21.483 1.00 0.00 C ATOM 1999 C GLU A 128 10.915 10.218 -21.891 1.00 0.00 C ATOM 2000 O GLU A 128 11.836 10.041 -22.688 1.00 0.00 O ATOM 2001 CB GLU A 128 11.218 12.025 -20.194 1.00 0.00 C ATOM 2002 CG GLU A 128 11.048 10.918 -19.152 1.00 0.00 C ATOM 2003 CD GLU A 128 12.137 9.864 -19.326 1.00 0.00 C ATOM 2004 OE1 GLU A 128 12.918 9.996 -20.254 1.00 0.00 O ATOM 2005 OE2 GLU A 128 12.174 8.942 -18.528 1.00 0.00 O ATOM 0 H GLU A 128 8.763 11.883 -20.325 1.00 0.00 H new ATOM 0 HA GLU A 128 10.769 12.319 -22.280 1.00 0.00 H new ATOM 0 HB2 GLU A 128 12.276 12.192 -20.394 1.00 0.00 H new ATOM 0 HB3 GLU A 128 10.814 12.963 -19.813 1.00 0.00 H new ATOM 0 HG2 GLU A 128 11.097 11.341 -18.149 1.00 0.00 H new ATOM 0 HG3 GLU A 128 10.065 10.458 -19.256 1.00 0.00 H new ATOM 2012 N LYS A 129 10.234 9.221 -21.338 1.00 0.00 N ATOM 2013 CA LYS A 129 10.546 7.830 -21.651 1.00 0.00 C ATOM 2014 C LYS A 129 10.347 7.559 -23.139 1.00 0.00 C ATOM 2015 O LYS A 129 10.990 6.679 -23.711 1.00 0.00 O ATOM 2016 CB LYS A 129 9.648 6.898 -20.835 1.00 0.00 C ATOM 2017 CG LYS A 129 10.027 6.989 -19.355 1.00 0.00 C ATOM 2018 CD LYS A 129 9.113 6.074 -18.537 1.00 0.00 C ATOM 2019 CE LYS A 129 9.347 4.619 -18.949 1.00 0.00 C ATOM 2020 NZ LYS A 129 8.435 4.269 -20.074 1.00 0.00 N ATOM 0 H LYS A 129 9.468 9.347 -20.676 1.00 0.00 H new ATOM 0 HA LYS A 129 11.589 7.644 -21.396 1.00 0.00 H new ATOM 0 HB2 LYS A 129 8.602 7.173 -20.971 1.00 0.00 H new ATOM 0 HB3 LYS A 129 9.756 5.872 -21.186 1.00 0.00 H new ATOM 0 HG2 LYS A 129 11.068 6.698 -19.217 1.00 0.00 H new ATOM 0 HG3 LYS A 129 9.935 8.018 -19.008 1.00 0.00 H new ATOM 0 HD2 LYS A 129 9.314 6.199 -17.473 1.00 0.00 H new ATOM 0 HD3 LYS A 129 8.070 6.346 -18.698 1.00 0.00 H new ATOM 0 HE2 LYS A 129 10.385 4.478 -19.251 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.168 3.957 -18.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.818 3.482 -19.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.852 5.095 -20.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.997 3.986 -20.902 1.00 0.00 H new ATOM 2034 N ASP A 130 9.451 8.319 -23.759 1.00 0.00 N ATOM 2035 CA ASP A 130 9.173 8.149 -25.180 1.00 0.00 C ATOM 2036 C ASP A 130 8.881 6.686 -25.499 1.00 0.00 C ATOM 2037 O ASP A 130 7.728 6.257 -25.487 1.00 0.00 O ATOM 2038 CB ASP A 130 10.369 8.624 -26.007 1.00 0.00 C ATOM 2039 CG ASP A 130 10.548 10.130 -25.848 1.00 0.00 C ATOM 2040 OD1 ASP A 130 9.576 10.792 -25.523 1.00 0.00 O ATOM 2041 OD2 ASP A 130 11.655 10.600 -26.052 1.00 0.00 O ATOM 0 H ASP A 130 8.909 9.053 -23.304 1.00 0.00 H new ATOM 0 HA ASP A 130 8.297 8.746 -25.432 1.00 0.00 H new ATOM 0 HB2 ASP A 130 11.273 8.106 -25.685 1.00 0.00 H new ATOM 0 HB3 ASP A 130 10.217 8.377 -27.058 1.00 0.00 H new ATOM 2046 N LYS A 131 9.934 5.927 -25.781 1.00 0.00 N ATOM 2047 CA LYS A 131 9.779 4.512 -26.101 1.00 0.00 C ATOM 2048 C LYS A 131 9.558 3.697 -24.832 1.00 0.00 C ATOM 2049 O LYS A 131 8.616 2.922 -24.804 1.00 0.00 O ATOM 2050 CB LYS A 131 11.024 4.001 -26.828 1.00 0.00 C ATOM 2051 CG LYS A 131 11.381 4.960 -27.966 1.00 0.00 C ATOM 2052 CD LYS A 131 10.249 4.972 -28.997 1.00 0.00 C ATOM 2053 CE LYS A 131 10.763 5.562 -30.312 1.00 0.00 C ATOM 2054 NZ LYS A 131 11.509 6.822 -30.033 1.00 0.00 N ATOM 2055 OXT LYS A 131 10.335 3.858 -23.905 1.00 0.00 O ATOM 0 H LYS A 131 10.897 6.264 -25.795 1.00 0.00 H new ATOM 0 HA LYS A 131 8.909 4.399 -26.748 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.858 3.921 -26.131 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.842 3.002 -27.224 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.540 5.964 -27.573 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.314 4.651 -28.438 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.880 3.959 -29.160 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.410 5.561 -28.625 1.00 0.00 H new ATOM 0 HE2 LYS A 131 11.413 4.846 -30.815 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.928 5.762 -30.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.520 7.415 -30.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.043 7.338 -29.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.485 6.594 -29.757 1.00 0.00 H new TER 2069 LYS A 131