USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 984 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 115 HIS : no HD1:sc= -0.111 K(o=-0.13,f=-0.64) USER MOD Set 1.2: A 119 SER OG : rot 180:sc= -0.0239 USER MOD Set 2.1: A 87 THR OG1 : rot 60:sc= 0.354 USER MOD Set 2.2: A 91 ASN : amide:sc= -3.55! C(o=-3.2!,f=-8.2!) USER MOD Set 3.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 98 HIS : +bothHN:sc= 0.17 K(o=0.17,f=-3.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.397 K(o=-0.4,f=-1.2) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.605 K(o=-0.6,f=-1.3) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.057 K(o=-0.057,f=-0.61) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 49:sc= 0.355 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 43 GLN : amide:sc= -0.0153 K(o=-0.015,f=-0.59) USER MOD Single : A 45 HIS : no HD1:sc= -3.56! C(o=-3.6!,f=-6.2!) USER MOD Single : A 48 GLN : amide:sc=-0.00462 K(o=-0.0046,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -25:sc= 0.476 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0658 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -22:sc= 0.598 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -148:sc= -0.244 (180deg=-1.12) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= -0.518 (180deg=-2.22!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 86:sc= 0.0153 USER MOD Single : A 106 SER OG : rot 180:sc= 0.00449 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.391 K(o=-0.39,f=-3.8!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.085 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0016 USER MOD Single : A 118 GLN : amide:sc=-0.000348 X(o=-0.00035,f=-0.12) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.963 -23.745 -16.089 1.00 0.00 N ATOM 2 CA GLY A 1 13.168 -23.149 -14.781 1.00 0.00 C ATOM 3 C GLY A 1 14.565 -22.585 -14.613 1.00 0.00 C ATOM 4 O GLY A 1 15.551 -23.243 -14.945 1.00 0.00 O ATOM 0 H1 GLY A 1 11.993 -24.116 -16.154 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.108 -23.025 -16.825 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.640 -24.522 -16.226 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.438 -22.354 -14.629 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.987 -23.899 -14.011 1.00 0.00 H new ATOM 8 N SER A 2 14.649 -21.362 -14.099 1.00 0.00 N ATOM 9 CA SER A 2 15.936 -20.707 -13.893 1.00 0.00 C ATOM 10 C SER A 2 16.000 -20.057 -12.514 1.00 0.00 C ATOM 11 O SER A 2 14.975 -19.855 -11.863 1.00 0.00 O ATOM 12 CB SER A 2 16.176 -19.655 -14.977 1.00 0.00 C ATOM 13 OG SER A 2 15.476 -19.980 -16.166 1.00 0.00 O ATOM 0 H SER A 2 13.842 -20.805 -13.818 1.00 0.00 H new ATOM 0 HA SER A 2 16.716 -21.466 -13.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.854 -18.678 -14.617 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.243 -19.582 -15.188 1.00 0.00 H new ATOM 0 HG SER A 2 15.644 -19.292 -16.843 1.00 0.00 H new ATOM 19 N SER A 3 17.212 -19.732 -12.076 1.00 0.00 N ATOM 20 CA SER A 3 17.412 -19.108 -10.773 1.00 0.00 C ATOM 21 C SER A 3 18.777 -18.431 -10.698 1.00 0.00 C ATOM 22 O SER A 3 19.741 -18.883 -11.314 1.00 0.00 O ATOM 23 CB SER A 3 17.285 -20.150 -9.660 1.00 0.00 C ATOM 24 OG SER A 3 17.112 -19.530 -8.398 1.00 0.00 O ATOM 0 H SER A 3 18.070 -19.890 -12.604 1.00 0.00 H new ATOM 0 HA SER A 3 16.642 -18.348 -10.640 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.438 -20.805 -9.866 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.176 -20.777 -9.641 1.00 0.00 H new ATOM 0 HG SER A 3 17.032 -20.217 -7.704 1.00 0.00 H new ATOM 30 N GLY A 4 18.850 -17.343 -9.938 1.00 0.00 N ATOM 31 CA GLY A 4 20.100 -16.620 -9.796 1.00 0.00 C ATOM 32 C GLY A 4 20.022 -15.526 -8.750 1.00 0.00 C ATOM 33 O GLY A 4 18.943 -15.009 -8.461 1.00 0.00 O ATOM 0 H GLY A 4 18.066 -16.949 -9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.892 -17.319 -9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.374 -16.182 -10.756 1.00 0.00 H new ATOM 37 N SER A 5 21.169 -15.173 -8.178 1.00 0.00 N ATOM 38 CA SER A 5 21.225 -14.138 -7.153 1.00 0.00 C ATOM 39 C SER A 5 22.658 -13.653 -6.948 1.00 0.00 C ATOM 40 O SER A 5 23.611 -14.294 -7.391 1.00 0.00 O ATOM 41 CB SER A 5 20.660 -14.666 -5.833 1.00 0.00 C ATOM 42 OG SER A 5 21.696 -15.130 -4.984 1.00 0.00 O ATOM 0 H SER A 5 22.072 -15.589 -8.407 1.00 0.00 H new ATOM 0 HA SER A 5 20.619 -13.296 -7.489 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.101 -13.876 -5.331 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.959 -15.476 -6.032 1.00 0.00 H new ATOM 0 HG SER A 5 21.309 -15.461 -4.147 1.00 0.00 H new ATOM 48 N SER A 6 22.800 -12.517 -6.273 1.00 0.00 N ATOM 49 CA SER A 6 24.115 -11.943 -6.013 1.00 0.00 C ATOM 50 C SER A 6 24.133 -11.211 -4.674 1.00 0.00 C ATOM 51 O SER A 6 23.191 -11.308 -3.888 1.00 0.00 O ATOM 52 CB SER A 6 24.508 -10.983 -7.137 1.00 0.00 C ATOM 53 OG SER A 6 25.828 -11.236 -7.586 1.00 0.00 O ATOM 0 H SER A 6 22.021 -11.976 -5.897 1.00 0.00 H new ATOM 0 HA SER A 6 24.838 -12.758 -5.972 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.811 -11.087 -7.969 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.431 -9.954 -6.784 1.00 0.00 H new ATOM 0 HG SER A 6 26.054 -10.610 -8.306 1.00 0.00 H new ATOM 59 N GLY A 7 25.212 -10.477 -4.422 1.00 0.00 N ATOM 60 CA GLY A 7 25.334 -9.739 -3.178 1.00 0.00 C ATOM 61 C GLY A 7 25.793 -8.311 -3.394 1.00 0.00 C ATOM 62 O GLY A 7 25.226 -7.587 -4.211 1.00 0.00 O ATOM 0 H GLY A 7 26.004 -10.380 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.372 -9.735 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.041 -10.250 -2.524 1.00 0.00 H new ATOM 66 N MET A 8 26.822 -7.905 -2.658 1.00 0.00 N ATOM 67 CA MET A 8 27.356 -6.553 -2.773 1.00 0.00 C ATOM 68 C MET A 8 28.612 -6.390 -1.921 1.00 0.00 C ATOM 69 O MET A 8 28.895 -7.214 -1.053 1.00 0.00 O ATOM 70 CB MET A 8 26.303 -5.527 -2.349 1.00 0.00 C ATOM 71 CG MET A 8 25.814 -5.711 -0.922 1.00 0.00 C ATOM 72 SD MET A 8 26.252 -4.326 0.146 1.00 0.00 S ATOM 73 CE MET A 8 24.679 -3.477 0.262 1.00 0.00 C ATOM 0 H MET A 8 27.302 -8.492 -1.976 1.00 0.00 H new ATOM 0 HA MET A 8 27.620 -6.382 -3.817 1.00 0.00 H new ATOM 0 HB2 MET A 8 26.720 -4.526 -2.455 1.00 0.00 H new ATOM 0 HB3 MET A 8 25.452 -5.591 -3.027 1.00 0.00 H new ATOM 0 HG2 MET A 8 24.731 -5.833 -0.926 1.00 0.00 H new ATOM 0 HG3 MET A 8 26.237 -6.628 -0.513 1.00 0.00 H new ATOM 0 HE1 MET A 8 24.787 -2.595 0.893 1.00 0.00 H new ATOM 0 HE2 MET A 8 24.355 -3.174 -0.734 1.00 0.00 H new ATOM 0 HE3 MET A 8 23.936 -4.145 0.698 1.00 0.00 H new ATOM 83 N ASN A 9 29.360 -5.322 -2.177 1.00 0.00 N ATOM 84 CA ASN A 9 30.586 -5.052 -1.434 1.00 0.00 C ATOM 85 C ASN A 9 30.809 -3.551 -1.279 1.00 0.00 C ATOM 86 O ASN A 9 30.050 -2.742 -1.812 1.00 0.00 O ATOM 87 CB ASN A 9 31.785 -5.687 -2.141 1.00 0.00 C ATOM 88 CG ASN A 9 32.129 -7.054 -1.581 1.00 0.00 C ATOM 89 OD1 ASN A 9 31.317 -7.978 -1.625 1.00 0.00 O ATOM 90 ND2 ASN A 9 33.339 -7.188 -1.050 1.00 0.00 N ATOM 0 H ASN A 9 29.139 -4.630 -2.893 1.00 0.00 H new ATOM 0 HA ASN A 9 30.484 -5.490 -0.441 1.00 0.00 H new ATOM 0 HB2 ASN A 9 31.570 -5.777 -3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 9 32.650 -5.030 -2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 9 33.627 -8.084 -0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 9 33.980 -6.395 -1.035 1.00 0.00 H new ATOM 97 N TYR A 10 31.856 -3.187 -0.546 1.00 0.00 N ATOM 98 CA TYR A 10 32.178 -1.783 -0.319 1.00 0.00 C ATOM 99 C TYR A 10 33.686 -1.555 -0.372 1.00 0.00 C ATOM 100 O TYR A 10 34.472 -2.490 -0.223 1.00 0.00 O ATOM 101 CB TYR A 10 31.628 -1.324 1.032 1.00 0.00 C ATOM 102 CG TYR A 10 30.339 -0.542 0.927 1.00 0.00 C ATOM 103 CD1 TYR A 10 29.145 -1.173 0.598 1.00 0.00 C ATOM 104 CD2 TYR A 10 30.313 0.828 1.159 1.00 0.00 C ATOM 105 CE1 TYR A 10 27.965 -0.462 0.500 1.00 0.00 C ATOM 106 CE2 TYR A 10 29.137 1.547 1.065 1.00 0.00 C ATOM 107 CZ TYR A 10 27.966 0.897 0.735 1.00 0.00 C ATOM 108 OH TYR A 10 26.792 1.608 0.640 1.00 0.00 O ATOM 0 H TYR A 10 32.495 -3.844 -0.099 1.00 0.00 H new ATOM 0 HA TYR A 10 31.712 -1.197 -1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 10 31.463 -2.197 1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 10 32.377 -0.708 1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 10 29.140 -2.238 0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 10 31.228 1.340 1.417 1.00 0.00 H new ATOM 0 HE1 TYR A 10 27.046 -0.967 0.241 1.00 0.00 H new ATOM 0 HE2 TYR A 10 29.135 2.611 1.249 1.00 0.00 H new ATOM 0 HH TYR A 10 26.965 2.552 0.836 1.00 0.00 H new ATOM 118 N ASN A 11 34.081 -0.304 -0.584 1.00 0.00 N ATOM 119 CA ASN A 11 35.495 0.049 -0.656 1.00 0.00 C ATOM 120 C ASN A 11 35.834 1.144 0.351 1.00 0.00 C ATOM 121 O ASN A 11 34.964 1.627 1.075 1.00 0.00 O ATOM 122 CB ASN A 11 35.855 0.511 -2.069 1.00 0.00 C ATOM 123 CG ASN A 11 35.408 1.934 -2.344 1.00 0.00 C ATOM 124 OD1 ASN A 11 36.229 2.845 -2.451 1.00 0.00 O ATOM 125 ND2 ASN A 11 34.100 2.132 -2.459 1.00 0.00 N ATOM 0 H ASN A 11 33.443 0.482 -0.709 1.00 0.00 H new ATOM 0 HA ASN A 11 36.079 -0.838 -0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 11 36.934 0.439 -2.208 1.00 0.00 H new ATOM 0 HB3 ASN A 11 35.394 -0.158 -2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 11 33.740 3.068 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 11 33.455 1.348 -2.363 1.00 0.00 H new ATOM 132 N SER A 12 37.105 1.531 0.390 1.00 0.00 N ATOM 133 CA SER A 12 37.561 2.566 1.310 1.00 0.00 C ATOM 134 C SER A 12 38.702 3.373 0.698 1.00 0.00 C ATOM 135 O SER A 12 39.420 2.888 -0.177 1.00 0.00 O ATOM 136 CB SER A 12 38.014 1.941 2.631 1.00 0.00 C ATOM 137 OG SER A 12 37.436 2.611 3.737 1.00 0.00 O ATOM 0 H SER A 12 37.837 1.143 -0.205 1.00 0.00 H new ATOM 0 HA SER A 12 36.726 3.239 1.503 1.00 0.00 H new ATOM 0 HB2 SER A 12 37.734 0.888 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 12 39.101 1.984 2.703 1.00 0.00 H new ATOM 0 HG SER A 12 37.740 2.191 4.569 1.00 0.00 H new ATOM 143 N TYR A 13 38.863 4.606 1.164 1.00 0.00 N ATOM 144 CA TYR A 13 39.915 5.482 0.662 1.00 0.00 C ATOM 145 C TYR A 13 40.427 6.405 1.763 1.00 0.00 C ATOM 146 O TYR A 13 39.896 6.420 2.873 1.00 0.00 O ATOM 147 CB TYR A 13 39.398 6.312 -0.514 1.00 0.00 C ATOM 148 CG TYR A 13 39.298 5.534 -1.807 1.00 0.00 C ATOM 149 CD1 TYR A 13 40.382 4.812 -2.291 1.00 0.00 C ATOM 150 CD2 TYR A 13 38.121 5.521 -2.545 1.00 0.00 C ATOM 151 CE1 TYR A 13 40.297 4.100 -3.472 1.00 0.00 C ATOM 152 CE2 TYR A 13 38.026 4.811 -3.726 1.00 0.00 C ATOM 153 CZ TYR A 13 39.116 4.102 -4.185 1.00 0.00 C ATOM 154 OH TYR A 13 39.026 3.395 -5.362 1.00 0.00 O ATOM 0 H TYR A 13 38.278 5.022 1.889 1.00 0.00 H new ATOM 0 HA TYR A 13 40.741 4.857 0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.415 6.710 -0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 13 40.059 7.166 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 13 41.307 4.807 -1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 13 37.265 6.076 -2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 13 41.150 3.545 -3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 13 37.103 4.811 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 13 38.127 3.500 -5.739 1.00 0.00 H new ATOM 164 N MET A 14 41.464 7.174 1.447 1.00 0.00 N ATOM 165 CA MET A 14 42.049 8.102 2.409 1.00 0.00 C ATOM 166 C MET A 14 42.930 9.129 1.706 1.00 0.00 C ATOM 167 O MET A 14 43.599 8.817 0.721 1.00 0.00 O ATOM 168 CB MET A 14 42.867 7.339 3.452 1.00 0.00 C ATOM 169 CG MET A 14 43.940 6.447 2.850 1.00 0.00 C ATOM 170 SD MET A 14 45.177 5.936 4.058 1.00 0.00 S ATOM 171 CE MET A 14 46.626 5.784 3.016 1.00 0.00 C ATOM 0 H MET A 14 41.917 7.173 0.533 1.00 0.00 H new ATOM 0 HA MET A 14 41.237 8.629 2.910 1.00 0.00 H new ATOM 0 HB2 MET A 14 43.337 8.054 4.127 1.00 0.00 H new ATOM 0 HB3 MET A 14 42.194 6.728 4.054 1.00 0.00 H new ATOM 0 HG2 MET A 14 43.472 5.562 2.419 1.00 0.00 H new ATOM 0 HG3 MET A 14 44.432 6.977 2.034 1.00 0.00 H new ATOM 0 HE1 MET A 14 47.478 5.473 3.621 1.00 0.00 H new ATOM 0 HE2 MET A 14 46.441 5.040 2.241 1.00 0.00 H new ATOM 0 HE3 MET A 14 46.842 6.746 2.551 1.00 0.00 H new ATOM 181 N ASP A 15 42.925 10.355 2.218 1.00 0.00 N ATOM 182 CA ASP A 15 43.725 11.428 1.640 1.00 0.00 C ATOM 183 C ASP A 15 43.881 12.582 2.626 1.00 0.00 C ATOM 184 O ASP A 15 43.215 12.620 3.660 1.00 0.00 O ATOM 185 CB ASP A 15 43.084 11.931 0.345 1.00 0.00 C ATOM 186 CG ASP A 15 44.075 12.013 -0.798 1.00 0.00 C ATOM 187 OD1 ASP A 15 44.779 13.040 -0.902 1.00 0.00 O ATOM 188 OD2 ASP A 15 44.149 11.049 -1.589 1.00 0.00 O ATOM 0 H ASP A 15 42.376 10.630 3.032 1.00 0.00 H new ATOM 0 HA ASP A 15 44.714 11.029 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 15 42.266 11.266 0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 15 42.650 12.916 0.517 1.00 0.00 H new ATOM 193 N GLU A 16 44.765 13.519 2.298 1.00 0.00 N ATOM 194 CA GLU A 16 45.009 14.672 3.157 1.00 0.00 C ATOM 195 C GLU A 16 43.900 15.710 3.002 1.00 0.00 C ATOM 196 O GLU A 16 43.178 15.720 2.005 1.00 0.00 O ATOM 197 CB GLU A 16 46.363 15.303 2.828 1.00 0.00 C ATOM 198 CG GLU A 16 47.357 15.243 3.975 1.00 0.00 C ATOM 199 CD GLU A 16 48.610 16.054 3.705 1.00 0.00 C ATOM 200 OE1 GLU A 16 49.566 15.494 3.130 1.00 0.00 O ATOM 201 OE2 GLU A 16 48.634 17.248 4.069 1.00 0.00 O ATOM 0 H GLU A 16 45.324 13.502 1.445 1.00 0.00 H new ATOM 0 HA GLU A 16 45.019 14.327 4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 16 46.789 14.797 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 16 46.210 16.344 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 16 46.880 15.610 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 16 47.633 14.204 4.157 1.00 0.00 H new ATOM 208 N LYS A 17 43.772 16.582 3.995 1.00 0.00 N ATOM 209 CA LYS A 17 42.754 17.626 3.972 1.00 0.00 C ATOM 210 C LYS A 17 43.137 18.738 3.001 1.00 0.00 C ATOM 211 O LYS A 17 42.437 18.988 2.021 1.00 0.00 O ATOM 212 CB LYS A 17 42.554 18.204 5.374 1.00 0.00 C ATOM 213 CG LYS A 17 41.612 17.386 6.241 1.00 0.00 C ATOM 214 CD LYS A 17 42.369 16.592 7.291 1.00 0.00 C ATOM 215 CE LYS A 17 42.124 17.140 8.689 1.00 0.00 C ATOM 216 NZ LYS A 17 42.829 18.433 8.909 1.00 0.00 N ATOM 0 H LYS A 17 44.361 16.587 4.828 1.00 0.00 H new ATOM 0 HA LYS A 17 41.819 17.179 3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 17 43.522 18.274 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 17 42.166 19.219 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 17 40.898 18.049 6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 17 41.037 16.705 5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 17 42.062 15.547 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 17 43.436 16.620 7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 17 41.054 17.279 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 17 42.460 16.413 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 42.637 18.773 9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 43.853 18.295 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 42.490 19.135 8.220 1.00 0.00 H new ATOM 230 N ASN A 18 44.254 19.402 3.281 1.00 0.00 N ATOM 231 CA ASN A 18 44.731 20.488 2.432 1.00 0.00 C ATOM 232 C ASN A 18 43.674 21.581 2.301 1.00 0.00 C ATOM 233 O ASN A 18 42.802 21.516 1.436 1.00 0.00 O ATOM 234 CB ASN A 18 45.102 19.954 1.047 1.00 0.00 C ATOM 235 CG ASN A 18 46.597 19.758 0.884 1.00 0.00 C ATOM 236 OD1 ASN A 18 47.315 19.537 1.860 1.00 0.00 O ATOM 237 ND2 ASN A 18 47.073 19.838 -0.353 1.00 0.00 N ATOM 0 H ASN A 18 44.845 19.207 4.089 1.00 0.00 H new ATOM 0 HA ASN A 18 45.617 20.918 2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 18 44.593 19.005 0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 18 44.744 20.647 0.286 1.00 0.00 H new ATOM 0 HD21 ASN A 18 48.071 19.715 -0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 18 46.441 20.023 -1.132 1.00 0.00 H new ATOM 244 N GLY A 19 43.760 22.586 3.168 1.00 0.00 N ATOM 245 CA GLY A 19 42.806 23.679 3.133 1.00 0.00 C ATOM 246 C GLY A 19 42.925 24.512 1.872 1.00 0.00 C ATOM 247 O GLY A 19 43.896 24.408 1.123 1.00 0.00 O ATOM 0 H GLY A 19 44.473 22.662 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.795 23.277 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 19 42.958 24.318 4.003 1.00 0.00 H new ATOM 251 N PRO A 20 41.918 25.361 1.622 1.00 0.00 N ATOM 252 CA PRO A 20 41.890 26.232 0.443 1.00 0.00 C ATOM 253 C PRO A 20 42.936 27.339 0.515 1.00 0.00 C ATOM 254 O PRO A 20 43.540 27.588 1.558 1.00 0.00 O ATOM 255 CB PRO A 20 40.479 26.825 0.473 1.00 0.00 C ATOM 256 CG PRO A 20 40.075 26.769 1.906 1.00 0.00 C ATOM 257 CD PRO A 20 40.728 25.538 2.472 1.00 0.00 C ATOM 0 HA PRO A 20 42.118 25.686 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 20 40.472 27.849 0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 20 39.795 26.252 -0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 20 40.400 27.663 2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 20 38.991 26.716 2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 20 40.999 25.672 3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 20 40.066 24.673 2.422 1.00 0.00 H new ATOM 265 N PRO A 21 43.156 28.021 -0.619 1.00 0.00 N ATOM 266 CA PRO A 21 44.128 29.114 -0.710 1.00 0.00 C ATOM 267 C PRO A 21 43.684 30.351 0.063 1.00 0.00 C ATOM 268 O PRO A 21 42.539 30.459 0.503 1.00 0.00 O ATOM 269 CB PRO A 21 44.187 29.413 -2.210 1.00 0.00 C ATOM 270 CG PRO A 21 42.870 28.961 -2.738 1.00 0.00 C ATOM 271 CD PRO A 21 42.471 27.777 -1.900 1.00 0.00 C ATOM 0 HA PRO A 21 45.091 28.840 -0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 21 44.345 30.475 -2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 21 45.009 28.880 -2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 21 42.128 29.756 -2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 21 42.945 28.687 -3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 21 41.390 27.720 -1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 21 42.789 26.838 -2.353 1.00 0.00 H new ATOM 279 N PRO A 22 44.608 31.307 0.233 1.00 0.00 N ATOM 280 CA PRO A 22 45.974 31.189 -0.286 1.00 0.00 C ATOM 281 C PRO A 22 46.787 30.134 0.457 1.00 0.00 C ATOM 282 O PRO A 22 46.391 29.641 1.514 1.00 0.00 O ATOM 283 CB PRO A 22 46.564 32.582 -0.051 1.00 0.00 C ATOM 284 CG PRO A 22 45.779 33.140 1.085 1.00 0.00 C ATOM 285 CD PRO A 22 44.392 32.578 0.945 1.00 0.00 C ATOM 0 HA PRO A 22 45.988 30.876 -1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 22 47.625 32.527 0.191 1.00 0.00 H new ATOM 0 HB3 PRO A 22 46.472 33.206 -0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 22 46.220 32.857 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 22 45.764 34.229 1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 22 43.923 32.420 1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 22 43.742 33.248 0.382 1.00 0.00 H new ATOM 293 N PRO A 23 47.952 29.779 -0.105 1.00 0.00 N ATOM 294 CA PRO A 23 48.845 28.779 0.488 1.00 0.00 C ATOM 295 C PRO A 23 49.504 29.279 1.769 1.00 0.00 C ATOM 296 O PRO A 23 49.362 30.444 2.138 1.00 0.00 O ATOM 297 CB PRO A 23 49.896 28.552 -0.601 1.00 0.00 C ATOM 298 CG PRO A 23 49.900 29.814 -1.393 1.00 0.00 C ATOM 299 CD PRO A 23 48.486 30.325 -1.364 1.00 0.00 C ATOM 0 HA PRO A 23 48.310 27.875 0.778 1.00 0.00 H new ATOM 0 HB2 PRO A 23 50.877 28.353 -0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 23 49.642 27.694 -1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 23 50.587 30.543 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 23 50.228 29.632 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 23 48.452 31.414 -1.376 1.00 0.00 H new ATOM 0 HD3 PRO A 23 47.916 29.979 -2.226 1.00 0.00 H new ATOM 307 N ASN A 24 50.226 28.389 2.444 1.00 0.00 N ATOM 308 CA ASN A 24 50.907 28.741 3.684 1.00 0.00 C ATOM 309 C ASN A 24 52.053 29.713 3.419 1.00 0.00 C ATOM 310 O ASN A 24 52.262 30.662 4.175 1.00 0.00 O ATOM 311 CB ASN A 24 51.440 27.483 4.372 1.00 0.00 C ATOM 312 CG ASN A 24 50.551 27.026 5.512 1.00 0.00 C ATOM 313 OD1 ASN A 24 50.822 27.312 6.678 1.00 0.00 O ATOM 314 ND2 ASN A 24 49.482 26.311 5.178 1.00 0.00 N ATOM 0 H ASN A 24 50.354 27.420 2.153 1.00 0.00 H new ATOM 0 HA ASN A 24 50.185 29.228 4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 24 51.527 26.681 3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 24 52.443 27.678 4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 24 48.846 25.975 5.902 1.00 0.00 H new ATOM 0 HD22 ASN A 24 49.297 26.098 4.198 1.00 0.00 H new ATOM 321 N MET A 25 52.790 29.470 2.340 1.00 0.00 N ATOM 322 CA MET A 25 53.913 30.325 1.975 1.00 0.00 C ATOM 323 C MET A 25 54.912 30.431 3.122 1.00 0.00 C ATOM 324 O MET A 25 54.808 31.317 3.971 1.00 0.00 O ATOM 325 CB MET A 25 53.415 31.719 1.586 1.00 0.00 C ATOM 326 CG MET A 25 54.535 32.716 1.334 1.00 0.00 C ATOM 327 SD MET A 25 54.412 33.503 -0.284 1.00 0.00 S ATOM 328 CE MET A 25 55.322 35.018 0.008 1.00 0.00 C ATOM 0 H MET A 25 52.630 28.689 1.704 1.00 0.00 H new ATOM 0 HA MET A 25 54.416 29.875 1.119 1.00 0.00 H new ATOM 0 HB2 MET A 25 52.802 31.639 0.688 1.00 0.00 H new ATOM 0 HB3 MET A 25 52.772 32.100 2.379 1.00 0.00 H new ATOM 0 HG2 MET A 25 54.516 33.482 2.109 1.00 0.00 H new ATOM 0 HG3 MET A 25 55.495 32.206 1.414 1.00 0.00 H new ATOM 0 HE1 MET A 25 55.335 35.616 -0.903 1.00 0.00 H new ATOM 0 HE2 MET A 25 54.841 35.584 0.806 1.00 0.00 H new ATOM 0 HE3 MET A 25 56.344 34.778 0.300 1.00 0.00 H new ATOM 338 N THR A 26 55.882 29.522 3.143 1.00 0.00 N ATOM 339 CA THR A 26 56.899 29.512 4.187 1.00 0.00 C ATOM 340 C THR A 26 58.264 29.136 3.621 1.00 0.00 C ATOM 341 O THR A 26 58.646 27.965 3.621 1.00 0.00 O ATOM 342 CB THR A 26 56.535 28.530 5.316 1.00 0.00 C ATOM 343 OG1 THR A 26 56.201 27.251 4.765 1.00 0.00 O ATOM 344 CG2 THR A 26 55.366 29.056 6.135 1.00 0.00 C ATOM 0 H THR A 26 55.984 28.783 2.448 1.00 0.00 H new ATOM 0 HA THR A 26 56.944 30.522 4.595 1.00 0.00 H new ATOM 0 HB THR A 26 57.400 28.428 5.971 1.00 0.00 H new ATOM 0 HG1 THR A 26 56.896 26.977 4.131 1.00 0.00 H new ATOM 0 HG21 THR A 26 55.127 28.345 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 26 55.634 30.015 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 26 54.498 29.185 5.489 1.00 0.00 H new ATOM 352 N THR A 27 58.996 30.136 3.140 1.00 0.00 N ATOM 353 CA THR A 27 60.319 29.909 2.572 1.00 0.00 C ATOM 354 C THR A 27 61.410 30.461 3.481 1.00 0.00 C ATOM 355 O THR A 27 61.234 31.498 4.119 1.00 0.00 O ATOM 356 CB THR A 27 60.450 30.556 1.180 1.00 0.00 C ATOM 357 OG1 THR A 27 60.214 31.966 1.271 1.00 0.00 O ATOM 358 CG2 THR A 27 59.468 29.935 0.199 1.00 0.00 C ATOM 0 H THR A 27 58.695 31.111 3.132 1.00 0.00 H new ATOM 0 HA THR A 27 60.442 28.830 2.477 1.00 0.00 H new ATOM 0 HB THR A 27 61.462 30.380 0.816 1.00 0.00 H new ATOM 0 HG1 THR A 27 60.301 32.370 0.382 1.00 0.00 H new ATOM 0 HG21 THR A 27 59.580 30.408 -0.776 1.00 0.00 H new ATOM 0 HG22 THR A 27 59.669 28.867 0.109 1.00 0.00 H new ATOM 0 HG23 THR A 27 58.450 30.083 0.560 1.00 0.00 H new ATOM 366 N ASN A 28 62.539 29.761 3.536 1.00 0.00 N ATOM 367 CA ASN A 28 63.660 30.182 4.368 1.00 0.00 C ATOM 368 C ASN A 28 64.691 30.949 3.545 1.00 0.00 C ATOM 369 O ASN A 28 64.929 32.133 3.779 1.00 0.00 O ATOM 370 CB ASN A 28 64.318 28.968 5.027 1.00 0.00 C ATOM 371 CG ASN A 28 63.332 28.141 5.829 1.00 0.00 C ATOM 372 OD1 ASN A 28 62.829 28.583 6.862 1.00 0.00 O ATOM 373 ND2 ASN A 28 63.050 26.932 5.355 1.00 0.00 N ATOM 0 H ASN A 28 62.701 28.900 3.014 1.00 0.00 H new ATOM 0 HA ASN A 28 63.275 30.844 5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 28 64.772 28.343 4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 28 65.123 29.304 5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 28 62.393 26.330 5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 28 63.490 26.606 4.495 1.00 0.00 H new ATOM 380 N GLU A 29 65.298 30.264 2.581 1.00 0.00 N ATOM 381 CA GLU A 29 66.303 30.882 1.723 1.00 0.00 C ATOM 382 C GLU A 29 65.694 31.307 0.390 1.00 0.00 C ATOM 383 O GLU A 29 65.867 30.633 -0.626 1.00 0.00 O ATOM 384 CB GLU A 29 67.463 29.913 1.481 1.00 0.00 C ATOM 385 CG GLU A 29 68.558 30.485 0.597 1.00 0.00 C ATOM 386 CD GLU A 29 69.899 29.814 0.822 1.00 0.00 C ATOM 387 OE1 GLU A 29 70.000 28.984 1.750 1.00 0.00 O ATOM 388 OE2 GLU A 29 70.849 30.119 0.070 1.00 0.00 O ATOM 0 H GLU A 29 65.112 29.283 2.375 1.00 0.00 H new ATOM 0 HA GLU A 29 66.680 31.771 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 29 67.894 29.628 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 29 67.076 29.003 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 29 68.271 30.374 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 29 68.654 31.554 0.789 1.00 0.00 H new ATOM 395 N ARG A 30 64.981 32.428 0.403 1.00 0.00 N ATOM 396 CA ARG A 30 64.345 32.942 -0.804 1.00 0.00 C ATOM 397 C ARG A 30 63.751 34.326 -0.558 1.00 0.00 C ATOM 398 O ARG A 30 62.724 34.463 0.106 1.00 0.00 O ATOM 399 CB ARG A 30 63.251 31.984 -1.278 1.00 0.00 C ATOM 400 CG ARG A 30 63.372 31.597 -2.743 1.00 0.00 C ATOM 401 CD ARG A 30 62.158 30.813 -3.215 1.00 0.00 C ATOM 402 NE ARG A 30 60.996 31.674 -3.420 1.00 0.00 N ATOM 403 CZ ARG A 30 59.883 31.274 -4.024 1.00 0.00 C ATOM 404 NH1 ARG A 30 59.780 30.033 -4.479 1.00 0.00 N ATOM 405 NH2 ARG A 30 58.868 32.117 -4.173 1.00 0.00 N ATOM 0 H ARG A 30 64.829 32.998 1.235 1.00 0.00 H new ATOM 0 HA ARG A 30 65.107 33.024 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 30 63.282 31.081 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 30 62.278 32.447 -1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 30 63.484 32.496 -3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 30 64.272 30.999 -2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 30 62.398 30.300 -4.146 1.00 0.00 H new ATOM 0 HD3 ARG A 30 61.915 30.045 -2.481 1.00 0.00 H new ATOM 0 HE ARG A 30 61.042 32.635 -3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 30 60.557 29.382 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 30 58.924 29.729 -4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 30 58.943 33.072 -3.823 1.00 0.00 H new ATOM 0 HH22 ARG A 30 58.013 31.809 -4.637 1.00 0.00 H new ATOM 419 N ARG A 31 64.406 35.350 -1.097 1.00 0.00 N ATOM 420 CA ARG A 31 63.944 36.723 -0.935 1.00 0.00 C ATOM 421 C ARG A 31 63.652 37.362 -2.290 1.00 0.00 C ATOM 422 O ARG A 31 62.497 37.611 -2.635 1.00 0.00 O ATOM 423 CB ARG A 31 64.989 37.549 -0.184 1.00 0.00 C ATOM 424 CG ARG A 31 64.629 39.021 -0.061 1.00 0.00 C ATOM 425 CD ARG A 31 63.418 39.225 0.836 1.00 0.00 C ATOM 426 NE ARG A 31 63.757 39.949 2.058 1.00 0.00 N ATOM 427 CZ ARG A 31 62.908 40.136 3.061 1.00 0.00 C ATOM 428 NH1 ARG A 31 61.675 39.655 2.989 1.00 0.00 N ATOM 429 NH2 ARG A 31 63.291 40.806 4.141 1.00 0.00 N ATOM 0 H ARG A 31 65.258 35.254 -1.649 1.00 0.00 H new ATOM 0 HA ARG A 31 63.021 36.704 -0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 31 65.121 37.131 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 31 65.947 37.460 -0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 31 65.479 39.572 0.342 1.00 0.00 H new ATOM 0 HG3 ARG A 31 64.424 39.430 -1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 31 62.651 39.775 0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 31 62.992 38.256 1.095 1.00 0.00 H new ATOM 0 HE ARG A 31 64.698 40.332 2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 31 61.376 39.139 2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 31 61.025 39.800 3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 31 64.239 41.178 4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 31 62.637 40.949 4.911 1.00 0.00 H new ATOM 443 N VAL A 32 64.708 37.626 -3.054 1.00 0.00 N ATOM 444 CA VAL A 32 64.565 38.235 -4.370 1.00 0.00 C ATOM 445 C VAL A 32 65.913 38.348 -5.073 1.00 0.00 C ATOM 446 O VAL A 32 66.880 38.856 -4.504 1.00 0.00 O ATOM 447 CB VAL A 32 63.929 39.635 -4.275 1.00 0.00 C ATOM 448 CG1 VAL A 32 64.777 40.548 -3.402 1.00 0.00 C ATOM 449 CG2 VAL A 32 63.744 40.231 -5.663 1.00 0.00 C ATOM 0 H VAL A 32 65.671 37.427 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 32 63.910 37.585 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 32 62.947 39.539 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 32 64.313 41.532 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 32 64.853 40.126 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 32 65.774 40.641 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 32 63.294 41.220 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 32 64.713 40.315 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 32 63.093 39.586 -6.252 1.00 0.00 H new ATOM 459 N ILE A 33 65.970 37.872 -6.312 1.00 0.00 N ATOM 460 CA ILE A 33 67.200 37.921 -7.093 1.00 0.00 C ATOM 461 C ILE A 33 67.072 38.893 -8.260 1.00 0.00 C ATOM 462 O ILE A 33 68.057 39.487 -8.699 1.00 0.00 O ATOM 463 CB ILE A 33 67.578 36.530 -7.636 1.00 0.00 C ATOM 464 CG1 ILE A 33 68.964 36.571 -8.284 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.535 36.051 -8.634 1.00 0.00 C ATOM 466 CD1 ILE A 33 69.544 35.201 -8.557 1.00 0.00 C ATOM 0 H ILE A 33 65.179 37.448 -6.797 1.00 0.00 H new ATOM 0 HA ILE A 33 67.986 38.266 -6.422 1.00 0.00 H new ATOM 0 HB ILE A 33 67.607 35.826 -6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 33 68.902 37.124 -9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.644 37.122 -7.634 1.00 0.00 H new ATOM 0 HG21 ILE A 33 66.815 35.067 -9.009 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.564 35.989 -8.144 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.477 36.753 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 33 70.527 35.307 -9.016 1.00 0.00 H new ATOM 0 HD12 ILE A 33 69.639 34.653 -7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 33 68.885 34.655 -9.232 1.00 0.00 H new ATOM 478 N VAL A 34 65.850 39.053 -8.759 1.00 0.00 N ATOM 479 CA VAL A 34 65.591 39.955 -9.874 1.00 0.00 C ATOM 480 C VAL A 34 64.143 40.433 -9.870 1.00 0.00 C ATOM 481 O VAL A 34 63.210 39.665 -9.634 1.00 0.00 O ATOM 482 CB VAL A 34 65.892 39.279 -11.225 1.00 0.00 C ATOM 483 CG1 VAL A 34 64.956 39.801 -12.304 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.346 39.498 -11.617 1.00 0.00 C ATOM 0 H VAL A 34 65.024 38.569 -8.408 1.00 0.00 H new ATOM 0 HA VAL A 34 66.254 40.811 -9.748 1.00 0.00 H new ATOM 0 HB VAL A 34 65.725 38.207 -11.121 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.184 39.312 -13.251 1.00 0.00 H new ATOM 0 HG12 VAL A 34 63.924 39.588 -12.025 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.088 40.878 -12.411 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.542 39.014 -12.574 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.542 40.567 -11.704 1.00 0.00 H new ATOM 0 HG23 VAL A 34 67.997 39.071 -10.854 1.00 0.00 H new ATOM 494 N PRO A 35 63.949 41.733 -10.137 1.00 0.00 N ATOM 495 CA PRO A 35 62.617 42.344 -10.170 1.00 0.00 C ATOM 496 C PRO A 35 61.794 41.874 -11.365 1.00 0.00 C ATOM 497 O PRO A 35 60.635 41.488 -11.219 1.00 0.00 O ATOM 498 CB PRO A 35 62.915 43.841 -10.282 1.00 0.00 C ATOM 499 CG PRO A 35 64.261 43.913 -10.917 1.00 0.00 C ATOM 500 CD PRO A 35 65.015 42.707 -10.427 1.00 0.00 C ATOM 0 HA PRO A 35 62.025 42.078 -9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.164 44.350 -10.887 1.00 0.00 H new ATOM 0 HB3 PRO A 35 62.913 44.319 -9.303 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.180 43.908 -12.004 1.00 0.00 H new ATOM 0 HG3 PRO A 35 64.775 44.834 -10.640 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.707 42.332 -11.181 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.604 42.935 -9.538 1.00 0.00 H new ATOM 508 N ALA A 36 62.401 41.911 -12.547 1.00 0.00 N ATOM 509 CA ALA A 36 61.725 41.486 -13.767 1.00 0.00 C ATOM 510 C ALA A 36 62.653 41.587 -14.972 1.00 0.00 C ATOM 511 O ALA A 36 63.093 40.573 -15.515 1.00 0.00 O ATOM 512 CB ALA A 36 60.471 42.319 -13.992 1.00 0.00 C ATOM 0 H ALA A 36 63.360 42.231 -12.686 1.00 0.00 H new ATOM 0 HA ALA A 36 61.438 40.441 -13.650 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.976 41.991 -14.906 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.794 42.193 -13.147 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.744 43.370 -14.084 1.00 0.00 H new ATOM 518 N ASP A 37 62.946 42.815 -15.386 1.00 0.00 N ATOM 519 CA ASP A 37 63.823 43.048 -16.528 1.00 0.00 C ATOM 520 C ASP A 37 65.029 43.890 -16.125 1.00 0.00 C ATOM 521 O ASP A 37 65.025 44.574 -15.101 1.00 0.00 O ATOM 522 CB ASP A 37 63.055 43.741 -17.655 1.00 0.00 C ATOM 523 CG ASP A 37 62.435 42.755 -18.626 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.395 42.157 -18.281 1.00 0.00 O ATOM 525 OD2 ASP A 37 62.991 42.583 -19.731 1.00 0.00 O ATOM 0 H ASP A 37 62.589 43.664 -14.948 1.00 0.00 H new ATOM 0 HA ASP A 37 64.180 42.081 -16.883 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.271 44.365 -17.226 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.730 44.404 -18.196 1.00 0.00 H new ATOM 530 N PRO A 38 66.088 43.839 -16.946 1.00 0.00 N ATOM 531 CA PRO A 38 67.321 44.590 -16.695 1.00 0.00 C ATOM 532 C PRO A 38 67.131 46.092 -16.874 1.00 0.00 C ATOM 533 O PRO A 38 67.965 46.890 -16.443 1.00 0.00 O ATOM 534 CB PRO A 38 68.290 44.044 -17.747 1.00 0.00 C ATOM 535 CG PRO A 38 67.415 43.549 -18.846 1.00 0.00 C ATOM 536 CD PRO A 38 66.163 43.044 -18.183 1.00 0.00 C ATOM 0 HA PRO A 38 67.671 44.468 -15.670 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.969 44.820 -18.100 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.906 43.242 -17.340 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.188 44.347 -19.553 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.906 42.755 -19.408 1.00 0.00 H new ATOM 0 HD2 PRO A 38 65.286 43.196 -18.812 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.223 41.976 -17.972 1.00 0.00 H new ATOM 544 N THR A 39 66.029 46.473 -17.512 1.00 0.00 N ATOM 545 CA THR A 39 65.730 47.880 -17.748 1.00 0.00 C ATOM 546 C THR A 39 65.176 48.543 -16.492 1.00 0.00 C ATOM 547 O THR A 39 65.393 49.733 -16.259 1.00 0.00 O ATOM 548 CB THR A 39 64.717 48.054 -18.896 1.00 0.00 C ATOM 549 OG1 THR A 39 63.455 47.487 -18.525 1.00 0.00 O ATOM 550 CG2 THR A 39 65.222 47.391 -20.169 1.00 0.00 C ATOM 0 H THR A 39 65.328 45.826 -17.875 1.00 0.00 H new ATOM 0 HA THR A 39 66.668 48.360 -18.025 1.00 0.00 H new ATOM 0 HB THR A 39 64.595 49.121 -19.085 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.816 47.603 -19.259 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.490 47.527 -20.965 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.168 47.844 -20.465 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.370 46.326 -19.990 1.00 0.00 H new ATOM 558 N LEU A 40 64.462 47.767 -15.685 1.00 0.00 N ATOM 559 CA LEU A 40 63.877 48.279 -14.451 1.00 0.00 C ATOM 560 C LEU A 40 64.667 47.803 -13.235 1.00 0.00 C ATOM 561 O LEU A 40 64.101 47.248 -12.294 1.00 0.00 O ATOM 562 CB LEU A 40 62.419 47.835 -14.331 1.00 0.00 C ATOM 563 CG LEU A 40 61.511 48.185 -15.511 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.199 47.422 -15.421 1.00 0.00 C ATOM 565 CD2 LEU A 40 61.256 49.685 -15.560 1.00 0.00 C ATOM 0 H LEU A 40 64.274 46.780 -15.863 1.00 0.00 H new ATOM 0 HA LEU A 40 63.917 49.368 -14.484 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.400 46.754 -14.192 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.998 48.280 -13.430 1.00 0.00 H new ATOM 0 HG LEU A 40 62.015 47.891 -16.432 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.567 47.684 -16.269 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.399 46.351 -15.435 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.689 47.683 -14.494 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.608 49.917 -16.406 1.00 0.00 H new ATOM 0 HD22 LEU A 40 60.773 50.002 -14.636 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.204 50.212 -15.674 1.00 0.00 H new ATOM 577 N TRP A 41 65.976 48.026 -13.263 1.00 0.00 N ATOM 578 CA TRP A 41 66.843 47.621 -12.162 1.00 0.00 C ATOM 579 C TRP A 41 67.190 48.812 -11.276 1.00 0.00 C ATOM 580 O TRP A 41 67.023 49.966 -11.675 1.00 0.00 O ATOM 581 CB TRP A 41 68.123 46.982 -12.703 1.00 0.00 C ATOM 582 CG TRP A 41 68.067 45.485 -12.747 1.00 0.00 C ATOM 583 CD1 TRP A 41 66.949 44.710 -12.870 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.175 44.582 -12.666 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.296 43.380 -12.871 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.656 43.276 -12.748 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.556 44.751 -12.535 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.470 42.147 -12.701 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.363 43.630 -12.489 1.00 0.00 C ATOM 590 CH2 TRP A 41 70.819 42.342 -12.572 1.00 0.00 C ATOM 0 H TRP A 41 66.460 48.484 -14.035 1.00 0.00 H new ATOM 0 HA TRP A 41 66.306 46.888 -11.560 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.313 47.361 -13.707 1.00 0.00 H new ATOM 0 HB3 TRP A 41 68.964 47.289 -12.082 1.00 0.00 H new ATOM 0 HD1 TRP A 41 65.940 45.087 -12.954 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.646 42.598 -12.950 1.00 0.00 H new ATOM 0 HE3 TRP A 41 70.985 45.740 -12.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.052 41.153 -12.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.432 43.749 -12.387 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.476 41.486 -12.533 1.00 0.00 H new ATOM 601 N THR A 42 67.674 48.528 -10.071 1.00 0.00 N ATOM 602 CA THR A 42 68.044 49.576 -9.129 1.00 0.00 C ATOM 603 C THR A 42 69.505 49.452 -8.714 1.00 0.00 C ATOM 604 O THR A 42 70.160 48.452 -9.008 1.00 0.00 O ATOM 605 CB THR A 42 67.159 49.536 -7.869 1.00 0.00 C ATOM 606 OG1 THR A 42 67.438 50.669 -7.038 1.00 0.00 O ATOM 607 CG2 THR A 42 67.393 48.255 -7.083 1.00 0.00 C ATOM 0 H THR A 42 67.819 47.580 -9.725 1.00 0.00 H new ATOM 0 HA THR A 42 67.894 50.527 -9.640 1.00 0.00 H new ATOM 0 HB THR A 42 66.116 49.565 -8.184 1.00 0.00 H new ATOM 0 HG1 THR A 42 66.870 50.637 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 42 66.757 48.250 -6.198 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.152 47.395 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.438 48.201 -6.779 1.00 0.00 H new ATOM 615 N GLN A 43 70.010 50.472 -8.028 1.00 0.00 N ATOM 616 CA GLN A 43 71.395 50.476 -7.572 1.00 0.00 C ATOM 617 C GLN A 43 71.689 49.250 -6.714 1.00 0.00 C ATOM 618 O GLN A 43 72.828 48.790 -6.642 1.00 0.00 O ATOM 619 CB GLN A 43 71.690 51.750 -6.780 1.00 0.00 C ATOM 620 CG GLN A 43 70.728 51.986 -5.626 1.00 0.00 C ATOM 621 CD GLN A 43 71.421 51.978 -4.278 1.00 0.00 C ATOM 622 OE1 GLN A 43 72.251 51.113 -3.998 1.00 0.00 O ATOM 623 NE2 GLN A 43 71.082 52.946 -3.433 1.00 0.00 N ATOM 0 H GLN A 43 69.481 51.307 -7.776 1.00 0.00 H new ATOM 0 HA GLN A 43 72.040 50.446 -8.450 1.00 0.00 H new ATOM 0 HB2 GLN A 43 72.706 51.698 -6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 43 71.651 52.605 -7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.226 52.943 -5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 43 69.956 51.216 -5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 43 70.389 53.643 -3.707 1.00 0.00 H new ATOM 0 HE22 GLN A 43 71.515 52.992 -2.511 1.00 0.00 H new ATOM 632 N GLU A 44 70.654 48.725 -6.066 1.00 0.00 N ATOM 633 CA GLU A 44 70.802 47.552 -5.212 1.00 0.00 C ATOM 634 C GLU A 44 70.947 46.285 -6.049 1.00 0.00 C ATOM 635 O GLU A 44 71.547 45.303 -5.611 1.00 0.00 O ATOM 636 CB GLU A 44 69.601 47.422 -4.273 1.00 0.00 C ATOM 637 CG GLU A 44 69.986 47.281 -2.810 1.00 0.00 C ATOM 638 CD GLU A 44 68.809 46.899 -1.932 1.00 0.00 C ATOM 639 OE1 GLU A 44 68.421 45.712 -1.943 1.00 0.00 O ATOM 640 OE2 GLU A 44 68.277 47.787 -1.234 1.00 0.00 O ATOM 0 H GLU A 44 69.704 49.093 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 44 71.706 47.679 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 44 68.963 48.298 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.010 46.555 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 44 70.766 46.526 -2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 44 70.408 48.222 -2.457 1.00 0.00 H new ATOM 647 N HIS A 45 70.392 46.313 -7.257 1.00 0.00 N ATOM 648 CA HIS A 45 70.459 45.167 -8.156 1.00 0.00 C ATOM 649 C HIS A 45 71.715 45.228 -9.021 1.00 0.00 C ATOM 650 O HIS A 45 72.220 44.200 -9.473 1.00 0.00 O ATOM 651 CB HIS A 45 69.216 45.116 -9.045 1.00 0.00 C ATOM 652 CG HIS A 45 68.001 44.588 -8.346 1.00 0.00 C ATOM 653 ND1 HIS A 45 66.838 45.315 -8.206 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.773 43.396 -7.747 1.00 0.00 C ATOM 655 CE1 HIS A 45 65.947 44.593 -7.549 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.489 43.424 -7.260 1.00 0.00 N ATOM 0 H HIS A 45 69.891 47.117 -7.635 1.00 0.00 H new ATOM 0 HA HIS A 45 70.500 44.262 -7.549 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.004 46.118 -9.417 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.426 44.491 -9.913 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.471 42.576 -7.667 1.00 0.00 H new ATOM 0 HE1 HIS A 45 64.946 44.906 -7.292 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.029 42.665 -6.757 1.00 0.00 H new ATOM 664 N VAL A 46 72.214 46.439 -9.247 1.00 0.00 N ATOM 665 CA VAL A 46 73.410 46.634 -10.058 1.00 0.00 C ATOM 666 C VAL A 46 74.668 46.266 -9.278 1.00 0.00 C ATOM 667 O VAL A 46 75.670 45.849 -9.858 1.00 0.00 O ATOM 668 CB VAL A 46 73.528 48.091 -10.543 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.761 48.264 -11.417 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.271 48.506 -11.291 1.00 0.00 C ATOM 0 H VAL A 46 71.809 47.300 -8.880 1.00 0.00 H new ATOM 0 HA VAL A 46 73.317 45.978 -10.923 1.00 0.00 H new ATOM 0 HB VAL A 46 73.635 48.739 -9.673 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.828 49.300 -11.751 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.652 48.009 -10.844 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.687 47.608 -12.284 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.371 49.538 -11.627 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.130 47.856 -12.154 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.409 48.422 -10.629 1.00 0.00 H new ATOM 680 N ARG A 47 74.607 46.423 -7.960 1.00 0.00 N ATOM 681 CA ARG A 47 75.741 46.108 -7.100 1.00 0.00 C ATOM 682 C ARG A 47 75.694 44.650 -6.650 1.00 0.00 C ATOM 683 O ARG A 47 76.694 43.937 -6.722 1.00 0.00 O ATOM 684 CB ARG A 47 75.755 47.030 -5.879 1.00 0.00 C ATOM 685 CG ARG A 47 76.890 46.741 -4.910 1.00 0.00 C ATOM 686 CD ARG A 47 77.247 47.970 -4.089 1.00 0.00 C ATOM 687 NE ARG A 47 76.330 48.165 -2.969 1.00 0.00 N ATOM 688 CZ ARG A 47 76.401 47.480 -1.833 1.00 0.00 C ATOM 689 NH1 ARG A 47 77.342 46.560 -1.667 1.00 0.00 N ATOM 690 NH2 ARG A 47 75.531 47.715 -0.859 1.00 0.00 N ATOM 0 H ARG A 47 73.784 46.766 -7.464 1.00 0.00 H new ATOM 0 HA ARG A 47 76.654 46.264 -7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.831 48.064 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.806 46.935 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 47 76.603 45.928 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.766 46.405 -5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 47 78.265 47.871 -3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 47 77.229 48.852 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 47 75.595 48.866 -3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.013 46.377 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 47 77.394 46.036 -0.794 1.00 0.00 H new ATOM 0 HH21 ARG A 47 74.806 48.422 -0.982 1.00 0.00 H new ATOM 0 HH22 ARG A 47 75.587 47.188 0.013 1.00 0.00 H new ATOM 704 N GLN A 48 74.526 44.217 -6.185 1.00 0.00 N ATOM 705 CA GLN A 48 74.350 42.846 -5.723 1.00 0.00 C ATOM 706 C GLN A 48 74.660 41.852 -6.837 1.00 0.00 C ATOM 707 O GLN A 48 75.417 40.901 -6.640 1.00 0.00 O ATOM 708 CB GLN A 48 72.921 42.636 -5.218 1.00 0.00 C ATOM 709 CG GLN A 48 72.671 43.223 -3.838 1.00 0.00 C ATOM 710 CD GLN A 48 71.217 43.133 -3.420 1.00 0.00 C ATOM 711 OE1 GLN A 48 70.317 43.114 -4.261 1.00 0.00 O ATOM 712 NE2 GLN A 48 70.977 43.076 -2.115 1.00 0.00 N ATOM 0 H GLN A 48 73.689 44.796 -6.119 1.00 0.00 H new ATOM 0 HA GLN A 48 75.047 42.673 -4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.225 43.085 -5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 48 72.706 41.568 -5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.288 42.700 -3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.984 44.267 -3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 48 71.752 43.094 -1.453 1.00 0.00 H new ATOM 0 HE22 GLN A 48 70.017 43.014 -1.775 1.00 0.00 H new ATOM 721 N TRP A 49 74.070 42.077 -8.005 1.00 0.00 N ATOM 722 CA TRP A 49 74.283 41.200 -9.151 1.00 0.00 C ATOM 723 C TRP A 49 75.771 41.009 -9.421 1.00 0.00 C ATOM 724 O TRP A 49 76.246 39.882 -9.566 1.00 0.00 O ATOM 725 CB TRP A 49 73.596 41.772 -10.392 1.00 0.00 C ATOM 726 CG TRP A 49 73.912 41.017 -11.647 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.530 39.743 -11.955 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.678 41.489 -12.761 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.012 39.394 -13.194 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.718 40.448 -13.709 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.332 42.689 -13.051 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.388 40.573 -14.924 1.00 0.00 C ATOM 733 CZ3 TRP A 49 75.996 42.812 -14.257 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.019 41.759 -15.181 1.00 0.00 C ATOM 0 H TRP A 49 73.440 42.859 -8.184 1.00 0.00 H new ATOM 0 HA TRP A 49 73.847 40.228 -8.919 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.517 41.768 -10.236 1.00 0.00 H new ATOM 0 HB3 TRP A 49 73.896 42.812 -10.517 1.00 0.00 H new ATOM 0 HD1 TRP A 49 72.936 39.103 -11.319 1.00 0.00 H new ATOM 0 HE1 TRP A 49 73.867 38.496 -13.655 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.319 43.506 -12.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.408 39.762 -15.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.506 43.735 -14.491 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.546 41.886 -16.115 1.00 0.00 H new ATOM 745 N LEU A 50 76.503 42.116 -9.487 1.00 0.00 N ATOM 746 CA LEU A 50 77.939 42.069 -9.739 1.00 0.00 C ATOM 747 C LEU A 50 78.656 41.268 -8.657 1.00 0.00 C ATOM 748 O LEU A 50 79.427 40.357 -8.956 1.00 0.00 O ATOM 749 CB LEU A 50 78.511 43.487 -9.804 1.00 0.00 C ATOM 750 CG LEU A 50 79.629 43.713 -10.822 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.056 44.189 -12.148 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.643 44.714 -10.287 1.00 0.00 C ATOM 0 H LEU A 50 76.126 43.056 -9.370 1.00 0.00 H new ATOM 0 HA LEU A 50 78.099 41.574 -10.697 1.00 0.00 H new ATOM 0 HB2 LEU A 50 77.697 44.176 -10.029 1.00 0.00 H new ATOM 0 HB3 LEU A 50 78.888 43.751 -8.816 1.00 0.00 H new ATOM 0 HG LEU A 50 80.138 42.764 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 50 79.867 44.344 -12.860 1.00 0.00 H new ATOM 0 HD12 LEU A 50 78.369 43.438 -12.538 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.521 45.126 -11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.432 44.863 -11.025 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.147 45.664 -10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.078 44.333 -9.363 1.00 0.00 H new ATOM 764 N GLU A 51 78.395 41.614 -7.401 1.00 0.00 N ATOM 765 CA GLU A 51 79.015 40.925 -6.275 1.00 0.00 C ATOM 766 C GLU A 51 78.733 39.427 -6.331 1.00 0.00 C ATOM 767 O GLU A 51 79.535 38.615 -5.869 1.00 0.00 O ATOM 768 CB GLU A 51 78.507 41.502 -4.952 1.00 0.00 C ATOM 769 CG GLU A 51 79.467 42.487 -4.308 1.00 0.00 C ATOM 770 CD GLU A 51 79.235 42.639 -2.818 1.00 0.00 C ATOM 771 OE1 GLU A 51 78.331 43.409 -2.432 1.00 0.00 O ATOM 772 OE2 GLU A 51 79.959 41.986 -2.036 1.00 0.00 O ATOM 0 H GLU A 51 77.759 42.367 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 51 80.093 41.077 -6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 51 77.552 41.999 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.319 40.684 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.491 42.156 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.361 43.459 -4.789 1.00 0.00 H new ATOM 779 N TRP A 52 77.587 39.068 -6.900 1.00 0.00 N ATOM 780 CA TRP A 52 77.197 37.667 -7.016 1.00 0.00 C ATOM 781 C TRP A 52 77.947 36.986 -8.156 1.00 0.00 C ATOM 782 O TRP A 52 78.579 35.948 -7.962 1.00 0.00 O ATOM 783 CB TRP A 52 75.689 37.553 -7.242 1.00 0.00 C ATOM 784 CG TRP A 52 75.207 36.137 -7.330 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.815 35.339 -6.293 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.067 35.352 -8.519 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.441 34.104 -6.766 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.585 34.087 -8.128 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.300 35.594 -9.875 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.334 33.071 -9.046 1.00 0.00 C ATOM 791 CZ3 TRP A 52 75.051 34.584 -10.785 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.571 33.336 -10.368 1.00 0.00 C ATOM 0 H TRP A 52 76.912 39.727 -7.288 1.00 0.00 H new ATOM 0 HA TRP A 52 77.456 37.165 -6.084 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.168 38.057 -6.428 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.426 38.077 -8.161 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.801 35.635 -5.254 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.110 33.326 -6.195 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.668 36.554 -10.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.965 32.108 -8.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.230 34.760 -11.835 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.384 32.568 -11.104 1.00 0.00 H new ATOM 803 N ALA A 53 77.873 37.578 -9.344 1.00 0.00 N ATOM 804 CA ALA A 53 78.547 37.028 -10.514 1.00 0.00 C ATOM 805 C ALA A 53 80.036 36.830 -10.247 1.00 0.00 C ATOM 806 O ALA A 53 80.578 35.749 -10.476 1.00 0.00 O ATOM 807 CB ALA A 53 78.341 37.937 -11.717 1.00 0.00 C ATOM 0 H ALA A 53 77.354 38.438 -9.521 1.00 0.00 H new ATOM 0 HA ALA A 53 78.110 36.053 -10.730 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.849 37.514 -12.584 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.275 38.025 -11.929 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.750 38.924 -11.502 1.00 0.00 H new ATOM 813 N ILE A 54 80.690 37.881 -9.763 1.00 0.00 N ATOM 814 CA ILE A 54 82.116 37.821 -9.465 1.00 0.00 C ATOM 815 C ILE A 54 82.426 36.693 -8.487 1.00 0.00 C ATOM 816 O ILE A 54 83.540 36.170 -8.459 1.00 0.00 O ATOM 817 CB ILE A 54 82.624 39.150 -8.877 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.353 40.300 -9.849 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.109 39.056 -8.561 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.438 41.667 -9.207 1.00 0.00 C ATOM 0 H ILE A 54 80.256 38.783 -9.569 1.00 0.00 H new ATOM 0 HA ILE A 54 82.628 37.631 -10.408 1.00 0.00 H new ATOM 0 HB ILE A 54 82.087 39.349 -7.950 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.069 40.248 -10.669 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.361 40.172 -10.283 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.453 40.003 -8.146 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.277 38.260 -7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.662 38.838 -9.474 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.235 42.433 -9.955 1.00 0.00 H new ATOM 0 HD12 ILE A 54 81.703 41.739 -8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.437 41.815 -8.798 1.00 0.00 H new ATOM 832 N LYS A 55 81.433 36.321 -7.687 1.00 0.00 N ATOM 833 CA LYS A 55 81.597 35.253 -6.708 1.00 0.00 C ATOM 834 C LYS A 55 81.382 33.887 -7.353 1.00 0.00 C ATOM 835 O LYS A 55 82.298 33.067 -7.408 1.00 0.00 O ATOM 836 CB LYS A 55 80.617 35.441 -5.548 1.00 0.00 C ATOM 837 CG LYS A 55 81.215 36.174 -4.360 1.00 0.00 C ATOM 838 CD LYS A 55 80.644 35.666 -3.046 1.00 0.00 C ATOM 839 CE LYS A 55 81.728 35.070 -2.161 1.00 0.00 C ATOM 840 NZ LYS A 55 82.424 36.114 -1.357 1.00 0.00 N ATOM 0 H LYS A 55 80.505 36.744 -7.697 1.00 0.00 H new ATOM 0 HA LYS A 55 82.616 35.299 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.747 35.993 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.263 34.464 -5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.298 36.047 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.019 37.242 -4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 55 80.153 36.485 -2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.881 34.913 -3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 55 81.286 34.331 -1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.455 34.544 -2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 83.155 35.668 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 82.868 36.805 -1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 81.735 36.599 -0.747 1.00 0.00 H new ATOM 854 N GLU A 56 80.168 33.652 -7.839 1.00 0.00 N ATOM 855 CA GLU A 56 79.834 32.385 -8.480 1.00 0.00 C ATOM 856 C GLU A 56 80.811 32.074 -9.610 1.00 0.00 C ATOM 857 O GLU A 56 81.545 31.086 -9.557 1.00 0.00 O ATOM 858 CB GLU A 56 78.405 32.423 -9.023 1.00 0.00 C ATOM 859 CG GLU A 56 77.738 31.059 -9.079 1.00 0.00 C ATOM 860 CD GLU A 56 78.664 29.978 -9.600 1.00 0.00 C ATOM 861 OE1 GLU A 56 79.022 30.027 -10.795 1.00 0.00 O ATOM 862 OE2 GLU A 56 79.032 29.082 -8.811 1.00 0.00 O ATOM 0 H GLU A 56 79.399 34.322 -7.801 1.00 0.00 H new ATOM 0 HA GLU A 56 79.908 31.597 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.806 33.086 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.417 32.853 -10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 56 77.392 30.787 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 56 76.856 31.116 -9.717 1.00 0.00 H new ATOM 869 N TYR A 57 80.815 32.923 -10.631 1.00 0.00 N ATOM 870 CA TYR A 57 81.699 32.737 -11.776 1.00 0.00 C ATOM 871 C TYR A 57 83.162 32.802 -11.350 1.00 0.00 C ATOM 872 O TYR A 57 84.035 32.221 -11.996 1.00 0.00 O ATOM 873 CB TYR A 57 81.418 33.800 -12.841 1.00 0.00 C ATOM 874 CG TYR A 57 80.055 33.669 -13.482 1.00 0.00 C ATOM 875 CD1 TYR A 57 78.941 34.281 -12.921 1.00 0.00 C ATOM 876 CD2 TYR A 57 79.882 32.936 -14.649 1.00 0.00 C ATOM 877 CE1 TYR A 57 77.693 34.164 -13.503 1.00 0.00 C ATOM 878 CE2 TYR A 57 78.639 32.814 -15.238 1.00 0.00 C ATOM 879 CZ TYR A 57 77.548 33.430 -14.662 1.00 0.00 C ATOM 880 OH TYR A 57 76.307 33.312 -15.245 1.00 0.00 O ATOM 0 H TYR A 57 80.216 33.747 -10.690 1.00 0.00 H new ATOM 0 HA TYR A 57 81.505 31.750 -12.197 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.504 34.788 -12.388 1.00 0.00 H new ATOM 0 HB3 TYR A 57 82.182 33.737 -13.616 1.00 0.00 H new ATOM 0 HD1 TYR A 57 79.052 34.858 -12.015 1.00 0.00 H new ATOM 0 HD2 TYR A 57 80.734 32.453 -15.104 1.00 0.00 H new ATOM 0 HE1 TYR A 57 76.837 34.644 -13.053 1.00 0.00 H new ATOM 0 HE2 TYR A 57 78.522 32.239 -16.145 1.00 0.00 H new ATOM 0 HH TYR A 57 76.377 32.764 -16.054 1.00 0.00 H new ATOM 890 N SER A 58 83.423 33.513 -10.258 1.00 0.00 N ATOM 891 CA SER A 58 84.781 33.657 -9.746 1.00 0.00 C ATOM 892 C SER A 58 85.666 34.385 -10.752 1.00 0.00 C ATOM 893 O SER A 58 86.525 33.779 -11.395 1.00 0.00 O ATOM 894 CB SER A 58 85.376 32.285 -9.424 1.00 0.00 C ATOM 895 OG SER A 58 84.433 31.463 -8.759 1.00 0.00 O ATOM 0 H SER A 58 82.712 33.998 -9.711 1.00 0.00 H new ATOM 0 HA SER A 58 84.737 34.249 -8.832 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.700 31.800 -10.345 1.00 0.00 H new ATOM 0 HB3 SER A 58 86.261 32.407 -8.800 1.00 0.00 H new ATOM 0 HG SER A 58 83.772 32.026 -8.303 1.00 0.00 H new ATOM 901 N LEU A 59 85.452 35.690 -10.885 1.00 0.00 N ATOM 902 CA LEU A 59 86.230 36.503 -11.813 1.00 0.00 C ATOM 903 C LEU A 59 87.347 37.243 -11.084 1.00 0.00 C ATOM 904 O LEU A 59 87.142 37.782 -9.998 1.00 0.00 O ATOM 905 CB LEU A 59 85.322 37.504 -12.529 1.00 0.00 C ATOM 906 CG LEU A 59 84.015 36.943 -13.089 1.00 0.00 C ATOM 907 CD1 LEU A 59 83.080 38.072 -13.494 1.00 0.00 C ATOM 908 CD2 LEU A 59 84.291 36.027 -14.272 1.00 0.00 C ATOM 0 H LEU A 59 84.746 36.207 -10.362 1.00 0.00 H new ATOM 0 HA LEU A 59 86.681 35.839 -12.550 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.081 38.307 -11.833 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.883 37.951 -13.350 1.00 0.00 H new ATOM 0 HG LEU A 59 83.529 36.358 -12.308 1.00 0.00 H new ATOM 0 HD11 LEU A 59 82.155 37.654 -13.890 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.856 38.689 -12.624 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.558 38.684 -14.259 1.00 0.00 H new ATOM 0 HD21 LEU A 59 83.349 35.637 -14.658 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.799 36.588 -15.056 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.923 35.199 -13.951 1.00 0.00 H new ATOM 920 N MET A 60 88.529 37.265 -11.691 1.00 0.00 N ATOM 921 CA MET A 60 89.678 37.942 -11.101 1.00 0.00 C ATOM 922 C MET A 60 90.101 39.136 -11.951 1.00 0.00 C ATOM 923 O MET A 60 90.854 39.997 -11.496 1.00 0.00 O ATOM 924 CB MET A 60 90.849 36.969 -10.951 1.00 0.00 C ATOM 925 CG MET A 60 91.411 36.485 -12.278 1.00 0.00 C ATOM 926 SD MET A 60 92.382 34.975 -12.111 1.00 0.00 S ATOM 927 CE MET A 60 91.783 34.031 -13.511 1.00 0.00 C ATOM 0 H MET A 60 88.716 36.822 -12.591 1.00 0.00 H new ATOM 0 HA MET A 60 89.387 38.304 -10.115 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.644 37.454 -10.385 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.523 36.108 -10.368 1.00 0.00 H new ATOM 0 HG2 MET A 60 90.590 36.310 -12.974 1.00 0.00 H new ATOM 0 HG3 MET A 60 92.034 37.267 -12.711 1.00 0.00 H new ATOM 0 HE1 MET A 60 92.291 33.067 -13.544 1.00 0.00 H new ATOM 0 HE2 MET A 60 90.709 33.872 -13.410 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.984 34.579 -14.432 1.00 0.00 H new ATOM 937 N GLU A 61 89.611 39.181 -13.186 1.00 0.00 N ATOM 938 CA GLU A 61 89.939 40.271 -14.098 1.00 0.00 C ATOM 939 C GLU A 61 88.684 41.036 -14.506 1.00 0.00 C ATOM 940 O GLU A 61 88.258 40.980 -15.660 1.00 0.00 O ATOM 941 CB GLU A 61 90.646 39.728 -15.342 1.00 0.00 C ATOM 942 CG GLU A 61 91.915 38.952 -15.031 1.00 0.00 C ATOM 943 CD GLU A 61 92.725 38.637 -16.274 1.00 0.00 C ATOM 944 OE1 GLU A 61 92.124 38.530 -17.363 1.00 0.00 O ATOM 945 OE2 GLU A 61 93.960 38.496 -16.156 1.00 0.00 O ATOM 0 H GLU A 61 88.986 38.476 -13.578 1.00 0.00 H new ATOM 0 HA GLU A 61 90.608 40.957 -13.578 1.00 0.00 H new ATOM 0 HB2 GLU A 61 89.959 39.081 -15.887 1.00 0.00 H new ATOM 0 HB3 GLU A 61 90.891 40.560 -16.002 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.528 39.528 -14.338 1.00 0.00 H new ATOM 0 HG3 GLU A 61 91.653 38.022 -14.527 1.00 0.00 H new ATOM 952 N ILE A 62 88.097 41.750 -13.551 1.00 0.00 N ATOM 953 CA ILE A 62 86.891 42.526 -13.811 1.00 0.00 C ATOM 954 C ILE A 62 86.882 43.816 -12.998 1.00 0.00 C ATOM 955 O ILE A 62 87.328 43.842 -11.851 1.00 0.00 O ATOM 956 CB ILE A 62 85.620 41.719 -13.486 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.377 42.462 -13.981 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.527 41.458 -11.990 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.164 41.572 -14.136 1.00 0.00 C ATOM 0 H ILE A 62 88.437 41.807 -12.591 1.00 0.00 H new ATOM 0 HA ILE A 62 86.895 42.768 -14.874 1.00 0.00 H new ATOM 0 HB ILE A 62 85.675 40.759 -14.000 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.142 43.265 -13.283 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.600 42.929 -14.940 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.624 40.887 -11.776 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.400 40.892 -11.664 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.491 42.408 -11.457 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.321 42.165 -14.490 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.381 40.783 -14.857 1.00 0.00 H new ATOM 0 HD13 ILE A 62 82.915 41.125 -13.173 1.00 0.00 H new ATOM 971 N ASP A 63 86.370 44.885 -13.599 1.00 0.00 N ATOM 972 CA ASP A 63 86.301 46.179 -12.930 1.00 0.00 C ATOM 973 C ASP A 63 85.047 46.277 -12.067 1.00 0.00 C ATOM 974 O ASP A 63 83.954 45.905 -12.495 1.00 0.00 O ATOM 975 CB ASP A 63 86.316 47.310 -13.959 1.00 0.00 C ATOM 976 CG ASP A 63 87.723 47.712 -14.356 1.00 0.00 C ATOM 977 OD1 ASP A 63 88.438 46.872 -14.942 1.00 0.00 O ATOM 978 OD2 ASP A 63 88.109 48.868 -14.081 1.00 0.00 O ATOM 0 H ASP A 63 85.997 44.881 -14.548 1.00 0.00 H new ATOM 0 HA ASP A 63 87.174 46.274 -12.284 1.00 0.00 H new ATOM 0 HB2 ASP A 63 85.766 46.997 -14.847 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.795 48.176 -13.551 1.00 0.00 H new ATOM 983 N THR A 64 85.212 46.780 -10.847 1.00 0.00 N ATOM 984 CA THR A 64 84.095 46.925 -9.923 1.00 0.00 C ATOM 985 C THR A 64 83.665 48.382 -9.803 1.00 0.00 C ATOM 986 O THR A 64 82.503 48.676 -9.524 1.00 0.00 O ATOM 987 CB THR A 64 84.451 46.390 -8.523 1.00 0.00 C ATOM 988 OG1 THR A 64 85.870 46.238 -8.403 1.00 0.00 O ATOM 989 CG2 THR A 64 83.770 45.055 -8.264 1.00 0.00 C ATOM 0 H THR A 64 86.109 47.094 -10.477 1.00 0.00 H new ATOM 0 HA THR A 64 83.271 46.339 -10.330 1.00 0.00 H new ATOM 0 HB THR A 64 84.099 47.109 -7.783 1.00 0.00 H new ATOM 0 HG1 THR A 64 86.088 45.899 -7.510 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.037 44.697 -7.269 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.689 45.180 -8.327 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.096 44.330 -9.010 1.00 0.00 H new ATOM 997 N SER A 65 84.611 49.292 -10.017 1.00 0.00 N ATOM 998 CA SER A 65 84.330 50.721 -9.930 1.00 0.00 C ATOM 999 C SER A 65 83.394 51.160 -11.052 1.00 0.00 C ATOM 1000 O SER A 65 82.562 52.048 -10.870 1.00 0.00 O ATOM 1001 CB SER A 65 85.632 51.522 -9.993 1.00 0.00 C ATOM 1002 OG SER A 65 86.751 50.699 -9.716 1.00 0.00 O ATOM 0 H SER A 65 85.577 49.065 -10.252 1.00 0.00 H new ATOM 0 HA SER A 65 83.839 50.913 -8.976 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.741 51.968 -10.982 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.593 52.342 -9.276 1.00 0.00 H new ATOM 0 HG SER A 65 87.571 51.234 -9.764 1.00 0.00 H new ATOM 1008 N PHE A 66 83.538 50.531 -12.214 1.00 0.00 N ATOM 1009 CA PHE A 66 82.707 50.856 -13.367 1.00 0.00 C ATOM 1010 C PHE A 66 81.228 50.666 -13.043 1.00 0.00 C ATOM 1011 O PHE A 66 80.365 51.331 -13.616 1.00 0.00 O ATOM 1012 CB PHE A 66 83.094 49.985 -14.564 1.00 0.00 C ATOM 1013 CG PHE A 66 83.046 50.713 -15.876 1.00 0.00 C ATOM 1014 CD1 PHE A 66 84.003 51.663 -16.192 1.00 0.00 C ATOM 1015 CD2 PHE A 66 82.043 50.446 -16.795 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.960 52.335 -17.399 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.995 51.115 -18.004 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.956 52.060 -18.306 1.00 0.00 C ATOM 0 H PHE A 66 84.222 49.793 -12.382 1.00 0.00 H new ATOM 0 HA PHE A 66 82.874 51.903 -13.619 1.00 0.00 H new ATOM 0 HB2 PHE A 66 84.101 49.597 -14.410 1.00 0.00 H new ATOM 0 HB3 PHE A 66 82.424 49.126 -14.610 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.792 51.881 -15.487 1.00 0.00 H new ATOM 0 HD2 PHE A 66 81.290 49.707 -16.564 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.711 53.075 -17.633 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.208 50.899 -18.711 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.922 52.583 -19.250 1.00 0.00 H new ATOM 1028 N PHE A 67 80.943 49.753 -12.120 1.00 0.00 N ATOM 1029 CA PHE A 67 79.569 49.473 -11.720 1.00 0.00 C ATOM 1030 C PHE A 67 79.284 50.030 -10.328 1.00 0.00 C ATOM 1031 O PHE A 67 78.478 49.477 -9.581 1.00 0.00 O ATOM 1032 CB PHE A 67 79.306 47.966 -11.743 1.00 0.00 C ATOM 1033 CG PHE A 67 79.791 47.291 -12.993 1.00 0.00 C ATOM 1034 CD1 PHE A 67 79.024 47.307 -14.147 1.00 0.00 C ATOM 1035 CD2 PHE A 67 81.015 46.641 -13.015 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.468 46.687 -15.300 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.464 46.020 -14.165 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.689 46.042 -15.309 1.00 0.00 C ATOM 0 H PHE A 67 81.645 49.195 -11.635 1.00 0.00 H new ATOM 0 HA PHE A 67 78.903 49.962 -12.431 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.791 47.508 -10.881 1.00 0.00 H new ATOM 0 HB3 PHE A 67 78.235 47.791 -11.637 1.00 0.00 H new ATOM 0 HD1 PHE A 67 78.068 47.810 -14.146 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.624 46.620 -12.124 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.861 46.707 -16.193 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.420 45.518 -14.170 1.00 0.00 H new ATOM 0 HZ PHE A 67 81.038 45.556 -16.208 1.00 0.00 H new ATOM 1048 N GLN A 68 79.952 51.128 -9.988 1.00 0.00 N ATOM 1049 CA GLN A 68 79.772 51.759 -8.686 1.00 0.00 C ATOM 1050 C GLN A 68 78.340 52.255 -8.516 1.00 0.00 C ATOM 1051 O GLN A 68 77.575 51.713 -7.719 1.00 0.00 O ATOM 1052 CB GLN A 68 80.751 52.922 -8.520 1.00 0.00 C ATOM 1053 CG GLN A 68 81.998 52.559 -7.730 1.00 0.00 C ATOM 1054 CD GLN A 68 81.956 53.072 -6.304 1.00 0.00 C ATOM 1055 OE1 GLN A 68 82.649 54.029 -5.956 1.00 0.00 O ATOM 1056 NE2 GLN A 68 81.141 52.437 -5.470 1.00 0.00 N ATOM 0 H GLN A 68 80.622 51.599 -10.596 1.00 0.00 H new ATOM 0 HA GLN A 68 79.972 51.013 -7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 68 81.047 53.280 -9.506 1.00 0.00 H new ATOM 0 HB3 GLN A 68 80.242 53.746 -8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 68 82.114 51.475 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 68 82.874 52.968 -8.233 1.00 0.00 H new ATOM 0 HE21 GLN A 68 80.585 51.649 -5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 68 81.071 52.738 -4.498 1.00 0.00 H new ATOM 1065 N ASN A 69 77.984 53.290 -9.270 1.00 0.00 N ATOM 1066 CA ASN A 69 76.644 53.861 -9.201 1.00 0.00 C ATOM 1067 C ASN A 69 76.059 54.045 -10.598 1.00 0.00 C ATOM 1068 O ASN A 69 75.668 55.149 -10.978 1.00 0.00 O ATOM 1069 CB ASN A 69 76.675 55.203 -8.468 1.00 0.00 C ATOM 1070 CG ASN A 69 76.710 55.039 -6.961 1.00 0.00 C ATOM 1071 OD1 ASN A 69 77.706 54.584 -6.398 1.00 0.00 O ATOM 1072 ND2 ASN A 69 75.619 55.408 -6.300 1.00 0.00 N ATOM 0 H ASN A 69 78.605 53.750 -9.936 1.00 0.00 H new ATOM 0 HA ASN A 69 76.009 53.168 -8.648 1.00 0.00 H new ATOM 0 HB2 ASN A 69 77.549 55.769 -8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 69 75.797 55.786 -8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 69 75.584 55.319 -5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 69 74.816 55.780 -6.808 1.00 0.00 H new ATOM 1079 N MET A 70 76.001 52.957 -11.358 1.00 0.00 N ATOM 1080 CA MET A 70 75.462 52.998 -12.712 1.00 0.00 C ATOM 1081 C MET A 70 73.992 52.592 -12.725 1.00 0.00 C ATOM 1082 O MET A 70 73.573 51.719 -11.964 1.00 0.00 O ATOM 1083 CB MET A 70 76.265 52.077 -13.633 1.00 0.00 C ATOM 1084 CG MET A 70 75.918 52.235 -15.104 1.00 0.00 C ATOM 1085 SD MET A 70 77.307 52.832 -16.086 1.00 0.00 S ATOM 1086 CE MET A 70 78.055 51.285 -16.590 1.00 0.00 C ATOM 0 H MET A 70 76.321 52.036 -11.059 1.00 0.00 H new ATOM 0 HA MET A 70 75.541 54.022 -13.076 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.328 52.276 -13.496 1.00 0.00 H new ATOM 0 HB3 MET A 70 76.094 51.042 -13.337 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.584 51.276 -15.500 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.083 52.929 -15.204 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.931 51.488 -17.207 1.00 0.00 H new ATOM 0 HE2 MET A 70 78.356 50.722 -15.707 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.334 50.702 -17.164 1.00 0.00 H new ATOM 1096 N ASP A 71 73.213 53.229 -13.592 1.00 0.00 N ATOM 1097 CA ASP A 71 71.790 52.933 -13.704 1.00 0.00 C ATOM 1098 C ASP A 71 71.563 51.640 -14.481 1.00 0.00 C ATOM 1099 O ASP A 71 72.212 51.392 -15.496 1.00 0.00 O ATOM 1100 CB ASP A 71 71.059 54.089 -14.388 1.00 0.00 C ATOM 1101 CG ASP A 71 71.580 55.444 -13.950 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.377 55.806 -12.772 1.00 0.00 O ATOM 1103 OD2 ASP A 71 72.192 56.142 -14.785 1.00 0.00 O ATOM 0 H ASP A 71 73.544 53.955 -14.228 1.00 0.00 H new ATOM 0 HA ASP A 71 71.391 52.806 -12.698 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.166 53.994 -15.469 1.00 0.00 H new ATOM 0 HB3 ASP A 71 69.994 54.024 -14.166 1.00 0.00 H new ATOM 1108 N GLY A 72 70.637 50.818 -13.996 1.00 0.00 N ATOM 1109 CA GLY A 72 70.342 49.561 -14.657 1.00 0.00 C ATOM 1110 C GLY A 72 70.045 49.737 -16.133 1.00 0.00 C ATOM 1111 O GLY A 72 70.433 48.907 -16.956 1.00 0.00 O ATOM 0 H GLY A 72 70.086 51.001 -13.157 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.188 48.884 -14.538 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.487 49.091 -14.171 1.00 0.00 H new ATOM 1115 N LYS A 73 69.353 50.820 -16.471 1.00 0.00 N ATOM 1116 CA LYS A 73 69.003 51.103 -17.857 1.00 0.00 C ATOM 1117 C LYS A 73 70.253 51.189 -18.727 1.00 0.00 C ATOM 1118 O LYS A 73 70.209 50.900 -19.922 1.00 0.00 O ATOM 1119 CB LYS A 73 68.214 52.411 -17.948 1.00 0.00 C ATOM 1120 CG LYS A 73 66.726 52.210 -18.178 1.00 0.00 C ATOM 1121 CD LYS A 73 66.402 52.084 -19.657 1.00 0.00 C ATOM 1122 CE LYS A 73 64.993 52.571 -19.962 1.00 0.00 C ATOM 1123 NZ LYS A 73 65.001 53.877 -20.678 1.00 0.00 N ATOM 0 H LYS A 73 69.023 51.517 -15.803 1.00 0.00 H new ATOM 0 HA LYS A 73 68.382 50.285 -18.223 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.357 52.977 -17.027 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.620 53.015 -18.760 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.394 51.314 -17.654 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.175 53.049 -17.754 1.00 0.00 H new ATOM 0 HD2 LYS A 73 67.121 52.660 -20.239 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.503 51.044 -19.966 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.475 51.828 -20.568 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.434 52.670 -19.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 64.023 54.175 -20.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 65.473 54.593 -20.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 65.513 53.777 -21.578 1.00 0.00 H new ATOM 1137 N GLU A 74 71.366 51.588 -18.119 1.00 0.00 N ATOM 1138 CA GLU A 74 72.628 51.711 -18.839 1.00 0.00 C ATOM 1139 C GLU A 74 73.289 50.347 -19.015 1.00 0.00 C ATOM 1140 O GLU A 74 73.906 50.071 -20.044 1.00 0.00 O ATOM 1141 CB GLU A 74 73.574 52.657 -18.098 1.00 0.00 C ATOM 1142 CG GLU A 74 73.749 54.002 -18.782 1.00 0.00 C ATOM 1143 CD GLU A 74 74.693 54.921 -18.031 1.00 0.00 C ATOM 1144 OE1 GLU A 74 74.533 55.056 -16.800 1.00 0.00 O ATOM 1145 OE2 GLU A 74 75.590 55.505 -18.673 1.00 0.00 O ATOM 0 H GLU A 74 71.419 51.831 -17.130 1.00 0.00 H new ATOM 0 HA GLU A 74 72.415 52.122 -19.826 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.195 52.819 -17.089 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.549 52.179 -18.000 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.128 53.845 -19.792 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.777 54.486 -18.878 1.00 0.00 H new ATOM 1152 N LEU A 75 73.157 49.497 -18.002 1.00 0.00 N ATOM 1153 CA LEU A 75 73.742 48.161 -18.042 1.00 0.00 C ATOM 1154 C LEU A 75 73.321 47.421 -19.307 1.00 0.00 C ATOM 1155 O LEU A 75 74.163 46.924 -20.057 1.00 0.00 O ATOM 1156 CB LEU A 75 73.324 47.362 -16.807 1.00 0.00 C ATOM 1157 CG LEU A 75 74.444 46.998 -15.832 1.00 0.00 C ATOM 1158 CD1 LEU A 75 75.196 48.245 -15.393 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.882 46.260 -14.625 1.00 0.00 C ATOM 0 H LEU A 75 72.650 49.709 -17.143 1.00 0.00 H new ATOM 0 HA LEU A 75 74.827 48.266 -18.048 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.571 47.935 -16.266 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.846 46.441 -17.140 1.00 0.00 H new ATOM 0 HG LEU A 75 75.144 46.337 -16.344 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.989 47.966 -14.699 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.631 48.733 -16.265 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.507 48.931 -14.900 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.693 46.009 -13.942 1.00 0.00 H new ATOM 0 HD22 LEU A 75 73.160 46.897 -14.113 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.389 45.345 -14.955 1.00 0.00 H new ATOM 1171 N CYS A 76 72.015 47.352 -19.540 1.00 0.00 N ATOM 1172 CA CYS A 76 71.482 46.673 -20.716 1.00 0.00 C ATOM 1173 C CYS A 76 71.813 47.448 -21.987 1.00 0.00 C ATOM 1174 O CYS A 76 71.913 46.871 -23.070 1.00 0.00 O ATOM 1175 CB CYS A 76 69.968 46.502 -20.588 1.00 0.00 C ATOM 1176 SG CYS A 76 69.044 48.055 -20.618 1.00 0.00 S ATOM 0 H CYS A 76 71.305 47.758 -18.930 1.00 0.00 H new ATOM 0 HA CYS A 76 71.947 45.689 -20.780 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.615 45.866 -21.400 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.750 45.980 -19.656 1.00 0.00 H new ATOM 0 HG CYS A 76 69.829 49.033 -20.276 1.00 0.00 H new ATOM 1182 N LYS A 77 71.982 48.758 -21.849 1.00 0.00 N ATOM 1183 CA LYS A 77 72.301 49.614 -22.985 1.00 0.00 C ATOM 1184 C LYS A 77 73.724 49.361 -23.473 1.00 0.00 C ATOM 1185 O LYS A 77 74.016 49.495 -24.661 1.00 0.00 O ATOM 1186 CB LYS A 77 72.134 51.086 -22.605 1.00 0.00 C ATOM 1187 CG LYS A 77 70.914 51.742 -23.228 1.00 0.00 C ATOM 1188 CD LYS A 77 70.626 53.095 -22.600 1.00 0.00 C ATOM 1189 CE LYS A 77 70.434 54.171 -23.658 1.00 0.00 C ATOM 1190 NZ LYS A 77 71.645 55.025 -23.806 1.00 0.00 N ATOM 0 H LYS A 77 71.903 49.251 -20.960 1.00 0.00 H new ATOM 0 HA LYS A 77 71.610 49.375 -23.794 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.065 51.167 -21.520 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.026 51.634 -22.909 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.073 51.864 -24.299 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.048 51.092 -23.106 1.00 0.00 H new ATOM 0 HD2 LYS A 77 69.731 53.027 -21.982 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.448 53.374 -21.941 1.00 0.00 H new ATOM 0 HE2 LYS A 77 70.201 53.703 -24.614 1.00 0.00 H new ATOM 0 HE3 LYS A 77 69.580 54.794 -23.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 71.474 55.746 -24.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 71.853 55.492 -22.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 72.454 54.434 -24.085 1.00 0.00 H new ATOM 1204 N MET A 78 74.606 48.996 -22.548 1.00 0.00 N ATOM 1205 CA MET A 78 75.998 48.722 -22.886 1.00 0.00 C ATOM 1206 C MET A 78 76.105 47.520 -23.819 1.00 0.00 C ATOM 1207 O MET A 78 75.373 46.543 -23.673 1.00 0.00 O ATOM 1208 CB MET A 78 76.813 48.470 -21.615 1.00 0.00 C ATOM 1209 CG MET A 78 76.726 49.602 -20.604 1.00 0.00 C ATOM 1210 SD MET A 78 78.333 50.338 -20.246 1.00 0.00 S ATOM 1211 CE MET A 78 79.257 48.896 -19.721 1.00 0.00 C ATOM 0 H MET A 78 74.382 48.883 -21.559 1.00 0.00 H new ATOM 0 HA MET A 78 76.400 49.595 -23.400 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.466 47.548 -21.147 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.857 48.316 -21.887 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.054 50.372 -20.983 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.289 49.225 -19.679 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.994 49.189 -18.973 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.574 48.163 -19.291 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.766 48.458 -20.579 1.00 0.00 H new ATOM 1221 N ASN A 79 77.022 47.601 -24.778 1.00 0.00 N ATOM 1222 CA ASN A 79 77.224 46.520 -25.736 1.00 0.00 C ATOM 1223 C ASN A 79 78.542 45.799 -25.472 1.00 0.00 C ATOM 1224 O ASN A 79 79.268 46.131 -24.534 1.00 0.00 O ATOM 1225 CB ASN A 79 77.205 47.067 -27.165 1.00 0.00 C ATOM 1226 CG ASN A 79 75.878 47.710 -27.520 1.00 0.00 C ATOM 1227 OD1 ASN A 79 74.896 47.021 -27.796 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.844 49.038 -27.515 1.00 0.00 N ATOM 0 H ASN A 79 77.637 48.404 -24.912 1.00 0.00 H new ATOM 0 HA ASN A 79 76.410 45.805 -25.617 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.003 47.800 -27.281 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.412 46.257 -27.864 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.979 49.527 -27.746 1.00 0.00 H new ATOM 0 HD22 ASN A 79 76.683 49.569 -27.280 1.00 0.00 H new ATOM 1235 N LYS A 80 78.847 44.812 -26.307 1.00 0.00 N ATOM 1236 CA LYS A 80 80.079 44.044 -26.168 1.00 0.00 C ATOM 1237 C LYS A 80 81.289 44.969 -26.086 1.00 0.00 C ATOM 1238 O LYS A 80 82.261 44.672 -25.392 1.00 0.00 O ATOM 1239 CB LYS A 80 80.239 43.080 -27.346 1.00 0.00 C ATOM 1240 CG LYS A 80 81.093 41.866 -27.026 1.00 0.00 C ATOM 1241 CD LYS A 80 80.654 40.649 -27.822 1.00 0.00 C ATOM 1242 CE LYS A 80 81.194 39.362 -27.218 1.00 0.00 C ATOM 1243 NZ LYS A 80 81.055 38.210 -28.151 1.00 0.00 N ATOM 0 H LYS A 80 78.257 44.525 -27.088 1.00 0.00 H new ATOM 0 HA LYS A 80 80.018 43.470 -25.243 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.253 42.745 -27.668 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.683 43.615 -28.185 1.00 0.00 H new ATOM 0 HG2 LYS A 80 82.138 42.087 -27.245 1.00 0.00 H new ATOM 0 HG3 LYS A 80 81.030 41.647 -25.960 1.00 0.00 H new ATOM 0 HD2 LYS A 80 79.565 40.608 -27.854 1.00 0.00 H new ATOM 0 HD3 LYS A 80 81.000 40.742 -28.851 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.244 39.495 -26.959 1.00 0.00 H new ATOM 0 HE3 LYS A 80 80.663 39.145 -26.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 81.841 37.545 -28.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 80.153 37.725 -27.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 81.074 38.554 -29.132 1.00 0.00 H new ATOM 1257 N GLU A 81 81.222 46.090 -26.797 1.00 0.00 N ATOM 1258 CA GLU A 81 82.313 47.057 -26.802 1.00 0.00 C ATOM 1259 C GLU A 81 82.371 47.819 -25.482 1.00 0.00 C ATOM 1260 O GLU A 81 83.417 47.884 -24.835 1.00 0.00 O ATOM 1261 CB GLU A 81 82.148 48.039 -27.964 1.00 0.00 C ATOM 1262 CG GLU A 81 82.066 47.365 -29.323 1.00 0.00 C ATOM 1263 CD GLU A 81 82.629 48.227 -30.437 1.00 0.00 C ATOM 1264 OE1 GLU A 81 83.824 48.581 -30.368 1.00 0.00 O ATOM 1265 OE2 GLU A 81 81.872 48.547 -31.378 1.00 0.00 O ATOM 0 H GLU A 81 80.424 46.351 -27.377 1.00 0.00 H new ATOM 0 HA GLU A 81 83.248 46.511 -26.927 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.245 48.629 -27.805 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.987 48.735 -27.963 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.609 46.421 -29.289 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.026 47.126 -29.544 1.00 0.00 H new ATOM 1272 N ASP A 82 81.241 48.396 -25.088 1.00 0.00 N ATOM 1273 CA ASP A 82 81.161 49.154 -23.845 1.00 0.00 C ATOM 1274 C ASP A 82 81.627 48.309 -22.663 1.00 0.00 C ATOM 1275 O ASP A 82 82.294 48.807 -21.756 1.00 0.00 O ATOM 1276 CB ASP A 82 79.730 49.639 -23.609 1.00 0.00 C ATOM 1277 CG ASP A 82 79.204 50.472 -24.761 1.00 0.00 C ATOM 1278 OD1 ASP A 82 79.722 51.589 -24.970 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.273 50.009 -25.453 1.00 0.00 O ATOM 0 H ASP A 82 80.367 48.353 -25.612 1.00 0.00 H new ATOM 0 HA ASP A 82 81.819 50.019 -23.932 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.078 48.779 -23.459 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.696 50.228 -22.693 1.00 0.00 H new ATOM 1284 N PHE A 83 81.269 47.030 -22.680 1.00 0.00 N ATOM 1285 CA PHE A 83 81.649 46.116 -21.608 1.00 0.00 C ATOM 1286 C PHE A 83 83.123 45.736 -21.714 1.00 0.00 C ATOM 1287 O PHE A 83 83.786 45.490 -20.705 1.00 0.00 O ATOM 1288 CB PHE A 83 80.781 44.856 -21.653 1.00 0.00 C ATOM 1289 CG PHE A 83 79.534 44.958 -20.822 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.609 45.008 -19.439 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.287 45.002 -21.423 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.463 45.101 -18.672 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.138 45.096 -20.661 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.226 45.144 -19.284 1.00 0.00 C ATOM 0 H PHE A 83 80.717 46.602 -23.423 1.00 0.00 H new ATOM 0 HA PHE A 83 81.491 46.625 -20.657 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.503 44.652 -22.687 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.370 44.006 -21.308 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.574 44.974 -18.955 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.212 44.962 -22.500 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.535 45.140 -17.595 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.172 45.132 -21.142 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.329 45.215 -18.687 1.00 0.00 H new ATOM 1304 N LEU A 84 83.629 45.690 -22.941 1.00 0.00 N ATOM 1305 CA LEU A 84 85.025 45.339 -23.180 1.00 0.00 C ATOM 1306 C LEU A 84 85.960 46.335 -22.501 1.00 0.00 C ATOM 1307 O LEU A 84 87.084 45.993 -22.132 1.00 0.00 O ATOM 1308 CB LEU A 84 85.311 45.297 -24.682 1.00 0.00 C ATOM 1309 CG LEU A 84 85.247 43.918 -25.339 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.141 44.050 -26.850 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.465 43.089 -24.958 1.00 0.00 C ATOM 0 H LEU A 84 83.094 45.891 -23.786 1.00 0.00 H new ATOM 0 HA LEU A 84 85.204 44.352 -22.755 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.599 45.951 -25.186 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.303 45.714 -24.854 1.00 0.00 H new ATOM 0 HG LEU A 84 84.356 43.406 -24.977 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.097 43.058 -27.300 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.238 44.604 -27.104 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.013 44.582 -27.231 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.403 42.111 -25.434 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.370 43.598 -25.291 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.496 42.964 -23.876 1.00 0.00 H new ATOM 1323 N ARG A 85 85.487 47.566 -22.336 1.00 0.00 N ATOM 1324 CA ARG A 85 86.281 48.610 -21.700 1.00 0.00 C ATOM 1325 C ARG A 85 86.367 48.386 -20.193 1.00 0.00 C ATOM 1326 O ARG A 85 87.361 48.740 -19.559 1.00 0.00 O ATOM 1327 CB ARG A 85 85.677 49.986 -21.988 1.00 0.00 C ATOM 1328 CG ARG A 85 85.374 50.222 -23.459 1.00 0.00 C ATOM 1329 CD ARG A 85 85.734 51.638 -23.881 1.00 0.00 C ATOM 1330 NE ARG A 85 87.157 51.915 -23.712 1.00 0.00 N ATOM 1331 CZ ARG A 85 87.796 52.894 -24.343 1.00 0.00 C ATOM 1332 NH1 ARG A 85 87.140 53.686 -25.180 1.00 0.00 N ATOM 1333 NH2 ARG A 85 89.093 53.083 -24.136 1.00 0.00 N ATOM 0 H ARG A 85 84.558 47.865 -22.634 1.00 0.00 H new ATOM 0 HA ARG A 85 87.288 48.569 -22.114 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.757 50.097 -21.414 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.365 50.756 -21.639 1.00 0.00 H new ATOM 0 HG2 ARG A 85 85.931 49.508 -24.066 1.00 0.00 H new ATOM 0 HG3 ARG A 85 84.315 50.043 -23.647 1.00 0.00 H new ATOM 0 HD2 ARG A 85 85.458 51.786 -24.925 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.154 52.350 -23.293 1.00 0.00 H new ATOM 0 HE ARG A 85 87.690 51.324 -23.074 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.143 53.544 -25.340 1.00 0.00 H new ATOM 0 HH12 ARG A 85 87.633 54.437 -25.663 1.00 0.00 H new ATOM 0 HH21 ARG A 85 89.600 52.476 -23.492 1.00 0.00 H new ATOM 0 HH22 ARG A 85 89.583 53.835 -24.621 1.00 0.00 H new ATOM 1347 N ALA A 86 85.319 47.798 -19.627 1.00 0.00 N ATOM 1348 CA ALA A 86 85.276 47.525 -18.196 1.00 0.00 C ATOM 1349 C ALA A 86 85.997 46.223 -17.863 1.00 0.00 C ATOM 1350 O ALA A 86 86.713 46.134 -16.865 1.00 0.00 O ATOM 1351 CB ALA A 86 83.835 47.472 -17.711 1.00 0.00 C ATOM 0 H ALA A 86 84.488 47.501 -20.138 1.00 0.00 H new ATOM 0 HA ALA A 86 85.791 48.336 -17.681 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.819 47.267 -16.641 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.350 48.429 -17.905 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.302 46.682 -18.240 1.00 0.00 H new ATOM 1357 N THR A 87 85.803 45.213 -18.705 1.00 0.00 N ATOM 1358 CA THR A 87 86.433 43.915 -18.500 1.00 0.00 C ATOM 1359 C THR A 87 86.813 43.272 -19.829 1.00 0.00 C ATOM 1360 O THR A 87 86.478 43.784 -20.897 1.00 0.00 O ATOM 1361 CB THR A 87 85.507 42.957 -17.726 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.225 41.776 -17.354 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.297 42.578 -18.566 1.00 0.00 C ATOM 0 H THR A 87 85.214 45.269 -19.536 1.00 0.00 H new ATOM 0 HA THR A 87 87.335 44.091 -17.913 1.00 0.00 H new ATOM 0 HB THR A 87 85.160 43.468 -16.828 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.986 42.021 -16.787 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.658 41.901 -17.999 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.736 43.477 -18.823 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.628 42.084 -19.479 1.00 0.00 H new ATOM 1371 N THR A 88 87.516 42.145 -19.756 1.00 0.00 N ATOM 1372 CA THR A 88 87.942 41.432 -20.954 1.00 0.00 C ATOM 1373 C THR A 88 86.754 40.800 -21.669 1.00 0.00 C ATOM 1374 O THR A 88 85.631 40.816 -21.164 1.00 0.00 O ATOM 1375 CB THR A 88 88.969 40.334 -20.617 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.319 39.242 -19.957 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.077 40.882 -19.732 1.00 0.00 C ATOM 0 H THR A 88 87.802 41.707 -18.880 1.00 0.00 H new ATOM 0 HA THR A 88 88.408 42.166 -21.611 1.00 0.00 H new ATOM 0 HB THR A 88 89.412 39.983 -21.549 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.978 38.547 -19.748 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.790 40.088 -19.508 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.589 41.693 -20.250 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.648 41.258 -18.803 1.00 0.00 H new ATOM 1385 N LEU A 89 87.008 40.242 -22.848 1.00 0.00 N ATOM 1386 CA LEU A 89 85.959 39.603 -23.634 1.00 0.00 C ATOM 1387 C LEU A 89 85.410 38.376 -22.914 1.00 0.00 C ATOM 1388 O LEU A 89 84.199 38.160 -22.868 1.00 0.00 O ATOM 1389 CB LEU A 89 86.496 39.203 -25.010 1.00 0.00 C ATOM 1390 CG LEU A 89 85.481 39.202 -26.153 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.306 38.295 -25.822 1.00 0.00 C ATOM 1392 CD2 LEU A 89 85.000 40.617 -26.440 1.00 0.00 C ATOM 0 H LEU A 89 87.932 40.219 -23.280 1.00 0.00 H new ATOM 0 HA LEU A 89 85.148 40.320 -23.762 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.308 39.882 -25.272 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.927 38.205 -24.933 1.00 0.00 H new ATOM 0 HG LEU A 89 85.970 38.817 -27.048 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.594 38.307 -26.647 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.664 37.277 -25.666 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.817 38.650 -24.915 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.278 40.597 -27.256 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.528 41.029 -25.548 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.849 41.240 -26.721 1.00 0.00 H new ATOM 1404 N TYR A 90 86.308 37.576 -22.351 1.00 0.00 N ATOM 1405 CA TYR A 90 85.914 36.370 -21.632 1.00 0.00 C ATOM 1406 C TYR A 90 84.875 36.689 -20.561 1.00 0.00 C ATOM 1407 O TYR A 90 84.010 35.869 -20.257 1.00 0.00 O ATOM 1408 CB TYR A 90 87.137 35.710 -20.992 1.00 0.00 C ATOM 1409 CG TYR A 90 86.792 34.567 -20.065 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.539 33.294 -20.563 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.719 34.758 -18.691 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.223 32.247 -19.720 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.405 33.716 -17.840 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.157 32.463 -18.359 1.00 0.00 C ATOM 1415 OH TYR A 90 85.844 31.422 -17.516 1.00 0.00 O ATOM 0 H TYR A 90 87.314 37.741 -22.378 1.00 0.00 H new ATOM 0 HA TYR A 90 85.470 35.679 -22.349 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.795 35.342 -21.780 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.696 36.462 -20.435 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.590 33.121 -21.628 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.911 35.738 -18.281 1.00 0.00 H new ATOM 0 HE1 TYR A 90 86.029 31.264 -20.124 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.354 33.882 -16.774 1.00 0.00 H new ATOM 0 HH TYR A 90 85.840 31.741 -16.589 1.00 0.00 H new ATOM 1425 N ASN A 91 84.968 37.887 -19.995 1.00 0.00 N ATOM 1426 CA ASN A 91 84.036 38.316 -18.958 1.00 0.00 C ATOM 1427 C ASN A 91 82.826 39.015 -19.569 1.00 0.00 C ATOM 1428 O ASN A 91 81.694 38.826 -19.122 1.00 0.00 O ATOM 1429 CB ASN A 91 84.735 39.254 -17.971 1.00 0.00 C ATOM 1430 CG ASN A 91 85.424 38.502 -16.848 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.312 37.280 -16.744 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.141 39.231 -16.001 1.00 0.00 N ATOM 0 H ASN A 91 85.678 38.578 -20.236 1.00 0.00 H new ATOM 0 HA ASN A 91 83.691 37.430 -18.426 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.469 39.857 -18.505 1.00 0.00 H new ATOM 0 HB3 ASN A 91 84.004 39.943 -17.548 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.627 38.781 -15.225 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.206 40.241 -16.126 1.00 0.00 H new ATOM 1439 N THR A 92 83.071 39.824 -20.595 1.00 0.00 N ATOM 1440 CA THR A 92 82.003 40.552 -21.268 1.00 0.00 C ATOM 1441 C THR A 92 80.884 39.611 -21.700 1.00 0.00 C ATOM 1442 O THR A 92 79.705 39.948 -21.602 1.00 0.00 O ATOM 1443 CB THR A 92 82.529 41.306 -22.504 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.531 42.250 -22.111 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.397 42.029 -23.219 1.00 0.00 C ATOM 0 H THR A 92 84.001 39.992 -20.978 1.00 0.00 H new ATOM 0 HA THR A 92 81.612 41.273 -20.551 1.00 0.00 H new ATOM 0 HB THR A 92 82.964 40.578 -23.189 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.361 41.775 -21.895 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.793 42.554 -24.088 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.649 41.305 -23.542 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.937 42.747 -22.540 1.00 0.00 H new ATOM 1453 N GLU A 93 81.262 38.429 -22.176 1.00 0.00 N ATOM 1454 CA GLU A 93 80.288 37.439 -22.623 1.00 0.00 C ATOM 1455 C GLU A 93 79.563 36.815 -21.434 1.00 0.00 C ATOM 1456 O GLU A 93 78.427 36.356 -21.557 1.00 0.00 O ATOM 1457 CB GLU A 93 80.977 36.348 -23.444 1.00 0.00 C ATOM 1458 CG GLU A 93 81.481 36.829 -24.795 1.00 0.00 C ATOM 1459 CD GLU A 93 80.783 36.145 -25.955 1.00 0.00 C ATOM 1460 OE1 GLU A 93 79.594 36.444 -26.192 1.00 0.00 O ATOM 1461 OE2 GLU A 93 81.427 35.311 -26.625 1.00 0.00 O ATOM 0 H GLU A 93 82.234 38.133 -22.262 1.00 0.00 H new ATOM 0 HA GLU A 93 79.554 37.946 -23.249 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.816 35.951 -22.873 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.279 35.525 -23.598 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.333 37.906 -24.871 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.554 36.649 -24.864 1.00 0.00 H new ATOM 1468 N VAL A 94 80.228 36.801 -20.283 1.00 0.00 N ATOM 1469 CA VAL A 94 79.648 36.234 -19.072 1.00 0.00 C ATOM 1470 C VAL A 94 78.642 37.192 -18.444 1.00 0.00 C ATOM 1471 O VAL A 94 77.725 36.772 -17.737 1.00 0.00 O ATOM 1472 CB VAL A 94 80.735 35.895 -18.034 1.00 0.00 C ATOM 1473 CG1 VAL A 94 80.108 35.329 -16.769 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.745 34.921 -18.621 1.00 0.00 C ATOM 0 H VAL A 94 81.169 37.176 -20.164 1.00 0.00 H new ATOM 0 HA VAL A 94 79.138 35.317 -19.365 1.00 0.00 H new ATOM 0 HB VAL A 94 81.260 36.813 -17.770 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.891 35.096 -16.048 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.427 36.064 -16.340 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.556 34.421 -17.011 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.506 34.692 -17.875 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.237 34.003 -18.914 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.217 35.369 -19.495 1.00 0.00 H new ATOM 1484 N LEU A 95 78.819 38.482 -18.706 1.00 0.00 N ATOM 1485 CA LEU A 95 77.926 39.502 -18.167 1.00 0.00 C ATOM 1486 C LEU A 95 76.723 39.711 -19.081 1.00 0.00 C ATOM 1487 O LEU A 95 75.576 39.556 -18.660 1.00 0.00 O ATOM 1488 CB LEU A 95 78.678 40.822 -17.985 1.00 0.00 C ATOM 1489 CG LEU A 95 79.955 40.757 -17.146 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.878 41.915 -17.489 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.618 40.762 -15.662 1.00 0.00 C ATOM 0 H LEU A 95 79.573 38.847 -19.288 1.00 0.00 H new ATOM 0 HA LEU A 95 77.567 39.159 -17.197 1.00 0.00 H new ATOM 0 HB2 LEU A 95 78.934 41.210 -18.971 1.00 0.00 H new ATOM 0 HB3 LEU A 95 78.001 41.542 -17.525 1.00 0.00 H new ATOM 0 HG LEU A 95 80.473 39.826 -17.378 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.781 41.852 -16.882 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.146 41.867 -18.545 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.370 42.858 -17.287 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.538 40.715 -15.080 1.00 0.00 H new ATOM 0 HD22 LEU A 95 79.078 41.676 -15.415 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.996 39.898 -15.427 1.00 0.00 H new ATOM 1503 N LEU A 96 76.992 40.061 -20.333 1.00 0.00 N ATOM 1504 CA LEU A 96 75.932 40.289 -21.309 1.00 0.00 C ATOM 1505 C LEU A 96 74.984 39.096 -21.371 1.00 0.00 C ATOM 1506 O LEU A 96 73.766 39.252 -21.282 1.00 0.00 O ATOM 1507 CB LEU A 96 76.531 40.552 -22.691 1.00 0.00 C ATOM 1508 CG LEU A 96 76.273 41.938 -23.283 1.00 0.00 C ATOM 1509 CD1 LEU A 96 77.253 42.229 -24.409 1.00 0.00 C ATOM 1510 CD2 LEU A 96 74.839 42.048 -23.779 1.00 0.00 C ATOM 0 H LEU A 96 77.936 40.193 -20.697 1.00 0.00 H new ATOM 0 HA LEU A 96 75.364 41.165 -20.994 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.609 40.399 -22.633 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.140 39.805 -23.382 1.00 0.00 H new ATOM 0 HG LEU A 96 76.422 42.680 -22.499 1.00 0.00 H new ATOM 0 HD11 LEU A 96 77.054 43.220 -24.818 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.272 42.194 -24.023 1.00 0.00 H new ATOM 0 HD13 LEU A 96 77.137 41.482 -25.195 1.00 0.00 H new ATOM 0 HD21 LEU A 96 74.674 43.041 -24.197 1.00 0.00 H new ATOM 0 HD22 LEU A 96 74.661 41.296 -24.548 1.00 0.00 H new ATOM 0 HD23 LEU A 96 74.153 41.885 -22.948 1.00 0.00 H new ATOM 1522 N SER A 97 75.551 37.903 -21.523 1.00 0.00 N ATOM 1523 CA SER A 97 74.756 36.683 -21.599 1.00 0.00 C ATOM 1524 C SER A 97 73.823 36.567 -20.398 1.00 0.00 C ATOM 1525 O SER A 97 72.665 36.170 -20.532 1.00 0.00 O ATOM 1526 CB SER A 97 75.670 35.458 -21.670 1.00 0.00 C ATOM 1527 OG SER A 97 74.934 34.291 -21.992 1.00 0.00 O ATOM 0 H SER A 97 76.558 37.756 -21.596 1.00 0.00 H new ATOM 0 HA SER A 97 74.150 36.729 -22.504 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.445 35.621 -22.419 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.175 35.321 -20.714 1.00 0.00 H new ATOM 0 HG SER A 97 75.541 33.522 -22.033 1.00 0.00 H new ATOM 1533 N HIS A 98 74.336 36.916 -19.222 1.00 0.00 N ATOM 1534 CA HIS A 98 73.549 36.852 -17.995 1.00 0.00 C ATOM 1535 C HIS A 98 72.399 37.854 -18.034 1.00 0.00 C ATOM 1536 O HIS A 98 71.271 37.535 -17.656 1.00 0.00 O ATOM 1537 CB HIS A 98 74.437 37.124 -16.780 1.00 0.00 C ATOM 1538 CG HIS A 98 73.852 36.637 -15.490 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.531 36.825 -15.145 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.417 35.965 -14.460 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.308 36.291 -13.957 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.437 35.762 -13.520 1.00 0.00 N ATOM 0 H HIS A 98 75.293 37.246 -19.093 1.00 0.00 H new ATOM 0 HA HIS A 98 73.131 35.849 -17.913 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.405 36.647 -16.934 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.618 38.196 -16.705 1.00 0.00 H new ATOM 0 HD1 HIS A 98 71.834 37.302 -15.717 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.447 35.648 -14.390 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.364 36.288 -13.433 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.561 35.281 -12.629 1.00 0.00 H new ATOM 1550 N LEU A 99 72.692 39.066 -18.493 1.00 0.00 N ATOM 1551 CA LEU A 99 71.683 40.115 -18.581 1.00 0.00 C ATOM 1552 C LEU A 99 70.643 39.782 -19.646 1.00 0.00 C ATOM 1553 O LEU A 99 69.500 40.235 -19.575 1.00 0.00 O ATOM 1554 CB LEU A 99 72.342 41.459 -18.898 1.00 0.00 C ATOM 1555 CG LEU A 99 72.290 42.510 -17.789 1.00 0.00 C ATOM 1556 CD1 LEU A 99 73.050 42.030 -16.562 1.00 0.00 C ATOM 1557 CD2 LEU A 99 72.854 43.835 -18.283 1.00 0.00 C ATOM 0 H LEU A 99 73.620 39.346 -18.810 1.00 0.00 H new ATOM 0 HA LEU A 99 71.180 40.183 -17.616 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.387 41.278 -19.151 1.00 0.00 H new ATOM 0 HB3 LEU A 99 71.866 41.874 -19.787 1.00 0.00 H new ATOM 0 HG LEU A 99 71.248 42.663 -17.509 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.002 42.791 -15.783 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.602 41.107 -16.195 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.091 41.848 -16.827 1.00 0.00 H new ATOM 0 HD21 LEU A 99 72.809 44.571 -17.481 1.00 0.00 H new ATOM 0 HD22 LEU A 99 73.890 43.697 -18.591 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.267 44.187 -19.131 1.00 0.00 H new ATOM 1569 N SER A 100 71.046 38.987 -20.631 1.00 0.00 N ATOM 1570 CA SER A 100 70.149 38.594 -21.712 1.00 0.00 C ATOM 1571 C SER A 100 69.362 37.342 -21.337 1.00 0.00 C ATOM 1572 O SER A 100 68.258 37.117 -21.833 1.00 0.00 O ATOM 1573 CB SER A 100 70.942 38.347 -22.997 1.00 0.00 C ATOM 1574 OG SER A 100 70.340 39.001 -24.101 1.00 0.00 O ATOM 0 H SER A 100 71.988 38.602 -20.703 1.00 0.00 H new ATOM 0 HA SER A 100 69.444 39.408 -21.880 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.964 38.704 -22.872 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.000 37.276 -23.192 1.00 0.00 H new ATOM 0 HG SER A 100 70.866 38.829 -24.910 1.00 0.00 H new ATOM 1580 N TYR A 101 69.940 36.529 -20.460 1.00 0.00 N ATOM 1581 CA TYR A 101 69.296 35.297 -20.019 1.00 0.00 C ATOM 1582 C TYR A 101 68.055 35.600 -19.185 1.00 0.00 C ATOM 1583 O TYR A 101 67.065 34.867 -19.234 1.00 0.00 O ATOM 1584 CB TYR A 101 70.274 34.447 -19.208 1.00 0.00 C ATOM 1585 CG TYR A 101 69.636 33.236 -18.566 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.412 32.075 -19.296 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.259 33.251 -17.229 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.828 30.967 -18.714 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.676 32.147 -16.638 1.00 0.00 C ATOM 1590 CZ TYR A 101 68.463 31.007 -17.385 1.00 0.00 C ATOM 1591 OH TYR A 101 67.882 29.904 -16.801 1.00 0.00 O ATOM 0 H TYR A 101 70.854 36.701 -20.040 1.00 0.00 H new ATOM 0 HA TYR A 101 68.990 34.740 -20.905 1.00 0.00 H new ATOM 0 HB2 TYR A 101 71.083 34.118 -19.860 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.722 35.066 -18.431 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.700 32.038 -20.336 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.425 34.142 -16.641 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.658 30.074 -19.297 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.389 32.176 -15.597 1.00 0.00 H new ATOM 0 HH TYR A 101 67.687 30.097 -15.860 1.00 0.00 H new ATOM 1601 N LEU A 102 68.114 36.684 -18.420 1.00 0.00 N ATOM 1602 CA LEU A 102 66.995 37.086 -17.575 1.00 0.00 C ATOM 1603 C LEU A 102 65.818 37.563 -18.420 1.00 0.00 C ATOM 1604 O LEU A 102 64.711 37.034 -18.315 1.00 0.00 O ATOM 1605 CB LEU A 102 67.429 38.194 -16.613 1.00 0.00 C ATOM 1606 CG LEU A 102 68.613 37.866 -15.702 1.00 0.00 C ATOM 1607 CD1 LEU A 102 69.295 39.142 -15.235 1.00 0.00 C ATOM 1608 CD2 LEU A 102 68.155 37.036 -14.512 1.00 0.00 C ATOM 0 H LEU A 102 68.925 37.301 -18.367 1.00 0.00 H new ATOM 0 HA LEU A 102 66.676 36.217 -16.999 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.681 39.078 -17.199 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.577 38.459 -15.987 1.00 0.00 H new ATOM 0 HG LEU A 102 69.335 37.280 -16.271 1.00 0.00 H new ATOM 0 HD11 LEU A 102 70.135 38.890 -14.588 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.657 39.698 -16.100 1.00 0.00 H new ATOM 0 HD13 LEU A 102 68.582 39.754 -14.682 1.00 0.00 H new ATOM 0 HD21 LEU A 102 69.010 36.812 -13.874 1.00 0.00 H new ATOM 0 HD22 LEU A 102 67.414 37.596 -13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.713 36.105 -14.866 1.00 0.00 H new ATOM 1620 N ARG A 103 66.065 38.564 -19.258 1.00 0.00 N ATOM 1621 CA ARG A 103 65.026 39.111 -20.122 1.00 0.00 C ATOM 1622 C ARG A 103 64.346 38.005 -20.923 1.00 0.00 C ATOM 1623 O ARG A 103 63.168 38.106 -21.262 1.00 0.00 O ATOM 1624 CB ARG A 103 65.620 40.153 -21.073 1.00 0.00 C ATOM 1625 CG ARG A 103 66.771 39.624 -21.913 1.00 0.00 C ATOM 1626 CD ARG A 103 67.365 40.714 -22.791 1.00 0.00 C ATOM 1627 NE ARG A 103 68.291 41.568 -22.053 1.00 0.00 N ATOM 1628 CZ ARG A 103 69.073 42.474 -22.628 1.00 0.00 C ATOM 1629 NH1 ARG A 103 69.041 42.644 -23.943 1.00 0.00 N ATOM 1630 NH2 ARG A 103 69.890 43.214 -21.889 1.00 0.00 N ATOM 0 H ARG A 103 66.976 39.013 -19.357 1.00 0.00 H new ATOM 0 HA ARG A 103 64.278 39.590 -19.490 1.00 0.00 H new ATOM 0 HB2 ARG A 103 64.835 40.517 -21.736 1.00 0.00 H new ATOM 0 HB3 ARG A 103 65.968 41.007 -20.492 1.00 0.00 H new ATOM 0 HG2 ARG A 103 67.544 39.220 -21.260 1.00 0.00 H new ATOM 0 HG3 ARG A 103 66.420 38.803 -22.538 1.00 0.00 H new ATOM 0 HD2 ARG A 103 67.886 40.258 -23.633 1.00 0.00 H new ATOM 0 HD3 ARG A 103 66.562 41.323 -23.205 1.00 0.00 H new ATOM 0 HE ARG A 103 68.340 41.463 -21.040 1.00 0.00 H new ATOM 0 HH11 ARG A 103 68.415 42.078 -24.515 1.00 0.00 H new ATOM 0 HH12 ARG A 103 69.643 43.341 -24.382 1.00 0.00 H new ATOM 0 HH21 ARG A 103 69.918 43.087 -20.877 1.00 0.00 H new ATOM 0 HH22 ARG A 103 70.490 43.909 -22.333 1.00 0.00 H new ATOM 1644 N GLU A 104 65.098 36.950 -21.221 1.00 0.00 N ATOM 1645 CA GLU A 104 64.567 35.825 -21.983 1.00 0.00 C ATOM 1646 C GLU A 104 63.328 35.246 -21.307 1.00 0.00 C ATOM 1647 O GLU A 104 62.467 34.658 -21.962 1.00 0.00 O ATOM 1648 CB GLU A 104 65.632 34.738 -22.139 1.00 0.00 C ATOM 1649 CG GLU A 104 65.883 34.334 -23.582 1.00 0.00 C ATOM 1650 CD GLU A 104 67.288 34.665 -24.044 1.00 0.00 C ATOM 1651 OE1 GLU A 104 68.251 34.174 -23.418 1.00 0.00 O ATOM 1652 OE2 GLU A 104 67.426 35.414 -25.034 1.00 0.00 O ATOM 0 H GLU A 104 66.075 36.851 -20.947 1.00 0.00 H new ATOM 0 HA GLU A 104 64.283 36.190 -22.970 1.00 0.00 H new ATOM 0 HB2 GLU A 104 66.566 35.091 -21.702 1.00 0.00 H new ATOM 0 HB3 GLU A 104 65.327 33.858 -21.572 1.00 0.00 H new ATOM 0 HG2 GLU A 104 65.712 33.263 -23.691 1.00 0.00 H new ATOM 0 HG3 GLU A 104 65.164 34.839 -24.227 1.00 0.00 H new ATOM 1659 N SER A 105 63.245 35.417 -19.991 1.00 0.00 N ATOM 1660 CA SER A 105 62.114 34.907 -19.224 1.00 0.00 C ATOM 1661 C SER A 105 60.796 35.432 -19.786 1.00 0.00 C ATOM 1662 O SER A 105 59.777 34.743 -19.755 1.00 0.00 O ATOM 1663 CB SER A 105 62.248 35.304 -17.753 1.00 0.00 C ATOM 1664 OG SER A 105 63.287 34.576 -17.121 1.00 0.00 O ATOM 0 H SER A 105 63.947 35.904 -19.434 1.00 0.00 H new ATOM 0 HA SER A 105 62.115 33.820 -19.301 1.00 0.00 H new ATOM 0 HB2 SER A 105 62.451 36.372 -17.678 1.00 0.00 H new ATOM 0 HB3 SER A 105 61.306 35.122 -17.237 1.00 0.00 H new ATOM 0 HG SER A 105 64.142 35.031 -17.269 1.00 0.00 H new ATOM 1670 N SER A 106 60.825 36.659 -20.298 1.00 0.00 N ATOM 1671 CA SER A 106 59.633 37.279 -20.863 1.00 0.00 C ATOM 1672 C SER A 106 59.560 37.045 -22.369 1.00 0.00 C ATOM 1673 O SER A 106 58.475 36.969 -22.946 1.00 0.00 O ATOM 1674 CB SER A 106 59.625 38.781 -20.568 1.00 0.00 C ATOM 1675 OG SER A 106 60.907 39.227 -20.162 1.00 0.00 O ATOM 0 H SER A 106 61.661 37.242 -20.333 1.00 0.00 H new ATOM 0 HA SER A 106 58.760 36.820 -20.399 1.00 0.00 H new ATOM 0 HB2 SER A 106 59.311 39.328 -21.457 1.00 0.00 H new ATOM 0 HB3 SER A 106 58.897 38.998 -19.787 1.00 0.00 H new ATOM 0 HG SER A 106 60.876 40.190 -19.981 1.00 0.00 H new ATOM 1681 N LEU A 107 60.724 36.931 -23.000 1.00 0.00 N ATOM 1682 CA LEU A 107 60.794 36.706 -24.440 1.00 0.00 C ATOM 1683 C LEU A 107 60.000 35.465 -24.836 1.00 0.00 C ATOM 1684 O LEU A 107 59.529 35.352 -25.968 1.00 0.00 O ATOM 1685 CB LEU A 107 62.251 36.555 -24.881 1.00 0.00 C ATOM 1686 CG LEU A 107 63.140 37.784 -24.691 1.00 0.00 C ATOM 1687 CD1 LEU A 107 64.513 37.549 -25.303 1.00 0.00 C ATOM 1688 CD2 LEU A 107 62.486 39.015 -25.302 1.00 0.00 C ATOM 0 H LEU A 107 61.631 36.991 -22.538 1.00 0.00 H new ATOM 0 HA LEU A 107 60.356 37.570 -24.940 1.00 0.00 H new ATOM 0 HB2 LEU A 107 62.692 35.724 -24.331 1.00 0.00 H new ATOM 0 HB3 LEU A 107 62.264 36.282 -25.936 1.00 0.00 H new ATOM 0 HG LEU A 107 63.265 37.956 -23.622 1.00 0.00 H new ATOM 0 HD11 LEU A 107 65.132 38.434 -25.158 1.00 0.00 H new ATOM 0 HD12 LEU A 107 64.985 36.693 -24.820 1.00 0.00 H new ATOM 0 HD13 LEU A 107 64.407 37.351 -26.370 1.00 0.00 H new ATOM 0 HD21 LEU A 107 63.133 39.880 -25.157 1.00 0.00 H new ATOM 0 HD22 LEU A 107 62.330 38.853 -26.369 1.00 0.00 H new ATOM 0 HD23 LEU A 107 61.526 39.195 -24.818 1.00 0.00 H new ATOM 1700 N LEU A 108 59.854 34.538 -23.896 1.00 0.00 N ATOM 1701 CA LEU A 108 59.114 33.305 -24.146 1.00 0.00 C ATOM 1702 C LEU A 108 57.610 33.549 -24.074 1.00 0.00 C ATOM 1703 O LEU A 108 56.833 32.904 -24.777 1.00 0.00 O ATOM 1704 CB LEU A 108 59.517 32.231 -23.134 1.00 0.00 C ATOM 1705 CG LEU A 108 58.993 32.420 -21.710 1.00 0.00 C ATOM 1706 CD1 LEU A 108 57.655 31.718 -21.536 1.00 0.00 C ATOM 1707 CD2 LEU A 108 60.004 31.903 -20.697 1.00 0.00 C ATOM 0 H LEU A 108 60.238 34.616 -22.954 1.00 0.00 H new ATOM 0 HA LEU A 108 59.360 32.960 -25.150 1.00 0.00 H new ATOM 0 HB2 LEU A 108 59.171 31.265 -23.502 1.00 0.00 H new ATOM 0 HB3 LEU A 108 60.605 32.186 -23.096 1.00 0.00 H new ATOM 0 HG LEU A 108 58.846 33.486 -21.536 1.00 0.00 H new ATOM 0 HD11 LEU A 108 57.298 31.863 -20.517 1.00 0.00 H new ATOM 0 HD12 LEU A 108 56.932 32.135 -22.237 1.00 0.00 H new ATOM 0 HD13 LEU A 108 57.775 30.652 -21.730 1.00 0.00 H new ATOM 0 HD21 LEU A 108 59.615 32.046 -19.689 1.00 0.00 H new ATOM 0 HD22 LEU A 108 60.183 30.842 -20.870 1.00 0.00 H new ATOM 0 HD23 LEU A 108 60.940 32.451 -20.805 1.00 0.00 H new ATOM 1719 N ALA A 109 57.207 34.485 -23.221 1.00 0.00 N ATOM 1720 CA ALA A 109 55.797 34.817 -23.061 1.00 0.00 C ATOM 1721 C ALA A 109 55.148 35.119 -24.407 1.00 0.00 C ATOM 1722 O ALA A 109 53.969 34.830 -24.617 1.00 0.00 O ATOM 1723 CB ALA A 109 55.637 36.001 -22.119 1.00 0.00 C ATOM 0 H ALA A 109 57.838 35.027 -22.630 1.00 0.00 H new ATOM 0 HA ALA A 109 55.293 33.952 -22.630 1.00 0.00 H new ATOM 0 HB1 ALA A 109 54.579 36.238 -22.009 1.00 0.00 H new ATOM 0 HB2 ALA A 109 56.056 35.750 -21.145 1.00 0.00 H new ATOM 0 HB3 ALA A 109 56.161 36.865 -22.528 1.00 0.00 H new ATOM 1729 N TYR A 110 55.923 35.701 -25.315 1.00 0.00 N ATOM 1730 CA TYR A 110 55.421 36.044 -26.641 1.00 0.00 C ATOM 1731 C TYR A 110 54.944 34.799 -27.382 1.00 0.00 C ATOM 1732 O TYR A 110 55.063 33.682 -26.882 1.00 0.00 O ATOM 1733 CB TYR A 110 56.509 36.749 -27.453 1.00 0.00 C ATOM 1734 CG TYR A 110 56.956 38.064 -26.854 1.00 0.00 C ATOM 1735 CD1 TYR A 110 56.042 39.079 -26.599 1.00 0.00 C ATOM 1736 CD2 TYR A 110 58.291 38.290 -26.544 1.00 0.00 C ATOM 1737 CE1 TYR A 110 56.446 40.282 -26.052 1.00 0.00 C ATOM 1738 CE2 TYR A 110 58.703 39.489 -25.996 1.00 0.00 C ATOM 1739 CZ TYR A 110 57.777 40.482 -25.752 1.00 0.00 C ATOM 1740 OH TYR A 110 58.185 41.679 -25.208 1.00 0.00 O ATOM 0 H TYR A 110 56.901 35.945 -25.158 1.00 0.00 H new ATOM 0 HA TYR A 110 54.573 36.718 -26.518 1.00 0.00 H new ATOM 0 HB2 TYR A 110 57.371 36.088 -27.541 1.00 0.00 H new ATOM 0 HB3 TYR A 110 56.139 36.926 -28.463 1.00 0.00 H new ATOM 0 HD1 TYR A 110 54.999 38.925 -26.832 1.00 0.00 H new ATOM 0 HD2 TYR A 110 59.019 37.515 -26.735 1.00 0.00 H new ATOM 0 HE1 TYR A 110 55.723 41.061 -25.860 1.00 0.00 H new ATOM 0 HE2 TYR A 110 59.745 39.648 -25.760 1.00 0.00 H new ATOM 0 HH TYR A 110 59.153 41.656 -25.056 1.00 0.00 H new ATOM 1750 N ASN A 111 54.403 35.003 -28.579 1.00 0.00 N ATOM 1751 CA ASN A 111 53.907 33.897 -29.391 1.00 0.00 C ATOM 1752 C ASN A 111 52.756 33.181 -28.690 1.00 0.00 C ATOM 1753 O ASN A 111 52.970 32.395 -27.767 1.00 0.00 O ATOM 1754 CB ASN A 111 55.035 32.907 -29.686 1.00 0.00 C ATOM 1755 CG ASN A 111 54.660 31.907 -30.763 1.00 0.00 C ATOM 1756 OD1 ASN A 111 53.482 31.614 -30.970 1.00 0.00 O ATOM 1757 ND2 ASN A 111 55.663 31.378 -31.454 1.00 0.00 N ATOM 0 H ASN A 111 54.297 35.922 -29.008 1.00 0.00 H new ATOM 0 HA ASN A 111 53.538 34.306 -30.331 1.00 0.00 H new ATOM 0 HB2 ASN A 111 55.924 33.456 -29.997 1.00 0.00 H new ATOM 0 HB3 ASN A 111 55.294 32.372 -28.772 1.00 0.00 H new ATOM 0 HD21 ASN A 111 55.472 30.699 -32.191 1.00 0.00 H new ATOM 0 HD22 ASN A 111 56.624 31.651 -31.248 1.00 0.00 H new ATOM 1764 N THR A 112 51.535 33.457 -29.136 1.00 0.00 N ATOM 1765 CA THR A 112 50.350 32.841 -28.552 1.00 0.00 C ATOM 1766 C THR A 112 50.461 31.320 -28.561 1.00 0.00 C ATOM 1767 O THR A 112 50.721 30.711 -29.599 1.00 0.00 O ATOM 1768 CB THR A 112 49.072 33.255 -29.306 1.00 0.00 C ATOM 1769 OG1 THR A 112 49.370 33.485 -30.687 1.00 0.00 O ATOM 1770 CG2 THR A 112 48.468 34.511 -28.696 1.00 0.00 C ATOM 0 H THR A 112 51.341 34.104 -29.900 1.00 0.00 H new ATOM 0 HA THR A 112 50.285 33.193 -27.522 1.00 0.00 H new ATOM 0 HB THR A 112 48.348 32.444 -29.222 1.00 0.00 H new ATOM 0 HG1 THR A 112 48.552 33.746 -31.159 1.00 0.00 H new ATOM 0 HG21 THR A 112 47.567 34.785 -29.244 1.00 0.00 H new ATOM 0 HG22 THR A 112 48.215 34.323 -27.653 1.00 0.00 H new ATOM 0 HG23 THR A 112 49.189 35.326 -28.753 1.00 0.00 H new ATOM 1778 N THR A 113 50.262 30.711 -27.396 1.00 0.00 N ATOM 1779 CA THR A 113 50.340 29.261 -27.269 1.00 0.00 C ATOM 1780 C THR A 113 49.314 28.575 -28.163 1.00 0.00 C ATOM 1781 O THR A 113 49.499 27.428 -28.571 1.00 0.00 O ATOM 1782 CB THR A 113 50.117 28.811 -25.813 1.00 0.00 C ATOM 1783 OG1 THR A 113 50.063 27.382 -25.744 1.00 0.00 O ATOM 1784 CG2 THR A 113 48.830 29.401 -25.255 1.00 0.00 C ATOM 0 H THR A 113 50.046 31.200 -26.527 1.00 0.00 H new ATOM 0 HA THR A 113 51.343 28.970 -27.582 1.00 0.00 H new ATOM 0 HB THR A 113 50.953 29.171 -25.213 1.00 0.00 H new ATOM 0 HG1 THR A 113 49.923 27.104 -24.815 1.00 0.00 H new ATOM 0 HG21 THR A 113 48.694 29.069 -24.226 1.00 0.00 H new ATOM 0 HG22 THR A 113 48.887 30.489 -25.281 1.00 0.00 H new ATOM 0 HG23 THR A 113 47.985 29.068 -25.858 1.00 0.00 H new ATOM 1792 N SER A 114 48.230 29.283 -28.465 1.00 0.00 N ATOM 1793 CA SER A 114 47.172 28.741 -29.309 1.00 0.00 C ATOM 1794 C SER A 114 47.734 28.262 -30.644 1.00 0.00 C ATOM 1795 O SER A 114 48.838 28.641 -31.038 1.00 0.00 O ATOM 1796 CB SER A 114 46.090 29.795 -29.547 1.00 0.00 C ATOM 1797 OG SER A 114 45.036 29.274 -30.339 1.00 0.00 O ATOM 0 H SER A 114 48.062 30.234 -28.137 1.00 0.00 H new ATOM 0 HA SER A 114 46.731 27.888 -28.793 1.00 0.00 H new ATOM 0 HB2 SER A 114 45.695 30.138 -28.591 1.00 0.00 H new ATOM 0 HB3 SER A 114 46.526 30.663 -30.042 1.00 0.00 H new ATOM 0 HG SER A 114 44.356 29.967 -30.475 1.00 0.00 H new ATOM 1803 N HIS A 115 46.967 27.426 -31.336 1.00 0.00 N ATOM 1804 CA HIS A 115 47.387 26.894 -32.628 1.00 0.00 C ATOM 1805 C HIS A 115 46.212 26.251 -33.359 1.00 0.00 C ATOM 1806 O HIS A 115 45.098 26.195 -32.838 1.00 0.00 O ATOM 1807 CB HIS A 115 48.508 25.872 -32.443 1.00 0.00 C ATOM 1808 CG HIS A 115 48.053 24.591 -31.814 1.00 0.00 C ATOM 1809 ND1 HIS A 115 47.368 24.541 -30.619 1.00 0.00 N ATOM 1810 CD2 HIS A 115 48.187 23.307 -32.224 1.00 0.00 C ATOM 1811 CE1 HIS A 115 47.101 23.282 -30.319 1.00 0.00 C ATOM 1812 NE2 HIS A 115 47.588 22.514 -31.277 1.00 0.00 N ATOM 0 H HIS A 115 46.051 27.102 -31.024 1.00 0.00 H new ATOM 0 HA HIS A 115 47.758 27.723 -33.231 1.00 0.00 H new ATOM 0 HB2 HIS A 115 48.952 25.653 -33.414 1.00 0.00 H new ATOM 0 HB3 HIS A 115 49.291 26.312 -31.826 1.00 0.00 H new ATOM 0 HD2 HIS A 115 48.674 22.970 -33.127 1.00 0.00 H new ATOM 0 HE1 HIS A 115 46.574 22.939 -29.440 1.00 0.00 H new ATOM 0 HE2 HIS A 115 47.529 21.496 -31.308 1.00 0.00 H new ATOM 1820 N THR A 116 46.468 25.767 -34.570 1.00 0.00 N ATOM 1821 CA THR A 116 45.432 25.130 -35.373 1.00 0.00 C ATOM 1822 C THR A 116 44.757 24.000 -34.604 1.00 0.00 C ATOM 1823 O THR A 116 45.397 23.304 -33.816 1.00 0.00 O ATOM 1824 CB THR A 116 46.006 24.569 -36.688 1.00 0.00 C ATOM 1825 OG1 THR A 116 47.253 23.911 -36.437 1.00 0.00 O ATOM 1826 CG2 THR A 116 46.210 25.680 -37.707 1.00 0.00 C ATOM 0 H THR A 116 47.384 25.804 -35.016 1.00 0.00 H new ATOM 0 HA THR A 116 44.695 25.899 -35.605 1.00 0.00 H new ATOM 0 HB THR A 116 45.292 23.852 -37.093 1.00 0.00 H new ATOM 0 HG1 THR A 116 47.610 23.556 -37.278 1.00 0.00 H new ATOM 0 HG21 THR A 116 46.616 25.260 -38.627 1.00 0.00 H new ATOM 0 HG22 THR A 116 45.254 26.160 -37.918 1.00 0.00 H new ATOM 0 HG23 THR A 116 46.906 26.417 -37.307 1.00 0.00 H new ATOM 1834 N ASP A 117 43.462 23.822 -34.839 1.00 0.00 N ATOM 1835 CA ASP A 117 42.700 22.775 -34.169 1.00 0.00 C ATOM 1836 C ASP A 117 43.207 21.393 -34.570 1.00 0.00 C ATOM 1837 O ASP A 117 43.766 20.665 -33.750 1.00 0.00 O ATOM 1838 CB ASP A 117 41.213 22.902 -34.504 1.00 0.00 C ATOM 1839 CG ASP A 117 40.353 21.955 -33.691 1.00 0.00 C ATOM 1840 OD1 ASP A 117 40.746 21.627 -32.552 1.00 0.00 O ATOM 1841 OD2 ASP A 117 39.288 21.541 -34.193 1.00 0.00 O ATOM 0 H ASP A 117 42.918 24.389 -35.489 1.00 0.00 H new ATOM 0 HA ASP A 117 42.834 22.895 -33.094 1.00 0.00 H new ATOM 0 HB2 ASP A 117 40.889 23.927 -34.324 1.00 0.00 H new ATOM 0 HB3 ASP A 117 41.064 22.703 -35.565 1.00 0.00 H new ATOM 1846 N GLN A 118 43.007 21.039 -35.836 1.00 0.00 N ATOM 1847 CA GLN A 118 43.443 19.743 -36.344 1.00 0.00 C ATOM 1848 C GLN A 118 44.955 19.715 -36.538 1.00 0.00 C ATOM 1849 O GLN A 118 45.481 20.313 -37.477 1.00 0.00 O ATOM 1850 CB GLN A 118 42.741 19.428 -37.666 1.00 0.00 C ATOM 1851 CG GLN A 118 42.281 17.984 -37.782 1.00 0.00 C ATOM 1852 CD GLN A 118 41.937 17.594 -39.206 1.00 0.00 C ATOM 1853 OE1 GLN A 118 42.737 17.778 -40.123 1.00 0.00 O ATOM 1854 NE2 GLN A 118 40.740 17.050 -39.398 1.00 0.00 N ATOM 0 H GLN A 118 42.547 21.631 -36.528 1.00 0.00 H new ATOM 0 HA GLN A 118 43.176 18.984 -35.609 1.00 0.00 H new ATOM 0 HB2 GLN A 118 41.878 20.085 -37.775 1.00 0.00 H new ATOM 0 HB3 GLN A 118 43.419 19.652 -38.490 1.00 0.00 H new ATOM 0 HG2 GLN A 118 43.065 17.326 -37.408 1.00 0.00 H new ATOM 0 HG3 GLN A 118 41.408 17.833 -37.147 1.00 0.00 H new ATOM 0 HE21 GLN A 118 40.108 16.916 -38.609 1.00 0.00 H new ATOM 0 HE22 GLN A 118 40.453 16.767 -40.335 1.00 0.00 H new ATOM 1863 N SER A 119 45.649 19.018 -35.645 1.00 0.00 N ATOM 1864 CA SER A 119 47.102 18.916 -35.715 1.00 0.00 C ATOM 1865 C SER A 119 47.581 17.582 -35.150 1.00 0.00 C ATOM 1866 O SER A 119 48.570 17.524 -34.420 1.00 0.00 O ATOM 1867 CB SER A 119 47.753 20.070 -34.951 1.00 0.00 C ATOM 1868 OG SER A 119 47.580 19.918 -33.553 1.00 0.00 O ATOM 0 H SER A 119 45.228 18.515 -34.864 1.00 0.00 H new ATOM 0 HA SER A 119 47.395 18.973 -36.763 1.00 0.00 H new ATOM 0 HB2 SER A 119 48.816 20.112 -35.187 1.00 0.00 H new ATOM 0 HB3 SER A 119 47.317 21.016 -35.274 1.00 0.00 H new ATOM 0 HG SER A 119 48.006 20.667 -33.087 1.00 0.00 H new ATOM 1874 N SER A 120 46.871 16.512 -35.493 1.00 0.00 N ATOM 1875 CA SER A 120 47.220 15.178 -35.018 1.00 0.00 C ATOM 1876 C SER A 120 48.371 14.595 -35.832 1.00 0.00 C ATOM 1877 O SER A 120 48.300 14.516 -37.058 1.00 0.00 O ATOM 1878 CB SER A 120 46.005 14.252 -35.095 1.00 0.00 C ATOM 1879 OG SER A 120 45.045 14.587 -34.108 1.00 0.00 O ATOM 0 H SER A 120 46.050 16.543 -36.098 1.00 0.00 H new ATOM 0 HA SER A 120 47.539 15.261 -33.979 1.00 0.00 H new ATOM 0 HB2 SER A 120 45.553 14.321 -36.085 1.00 0.00 H new ATOM 0 HB3 SER A 120 46.323 13.218 -34.961 1.00 0.00 H new ATOM 0 HG SER A 120 44.278 13.982 -34.179 1.00 0.00 H new ATOM 1885 N ARG A 121 49.430 14.188 -35.140 1.00 0.00 N ATOM 1886 CA ARG A 121 50.598 13.614 -35.798 1.00 0.00 C ATOM 1887 C ARG A 121 50.819 12.172 -35.349 1.00 0.00 C ATOM 1888 O ARG A 121 50.418 11.783 -34.252 1.00 0.00 O ATOM 1889 CB ARG A 121 51.843 14.450 -35.497 1.00 0.00 C ATOM 1890 CG ARG A 121 52.969 14.248 -36.498 1.00 0.00 C ATOM 1891 CD ARG A 121 52.614 14.825 -37.859 1.00 0.00 C ATOM 1892 NE ARG A 121 53.193 16.151 -38.059 1.00 0.00 N ATOM 1893 CZ ARG A 121 53.123 16.818 -39.205 1.00 0.00 C ATOM 1894 NH1 ARG A 121 52.502 16.286 -40.249 1.00 0.00 N ATOM 1895 NH2 ARG A 121 53.674 18.021 -39.309 1.00 0.00 N ATOM 0 H ARG A 121 49.503 14.245 -34.124 1.00 0.00 H new ATOM 0 HA ARG A 121 50.418 13.619 -36.873 1.00 0.00 H new ATOM 0 HB2 ARG A 121 51.567 15.504 -35.481 1.00 0.00 H new ATOM 0 HB3 ARG A 121 52.206 14.200 -34.500 1.00 0.00 H new ATOM 0 HG2 ARG A 121 53.877 14.722 -36.126 1.00 0.00 H new ATOM 0 HG3 ARG A 121 53.183 13.184 -36.597 1.00 0.00 H new ATOM 0 HD2 ARG A 121 52.968 14.153 -38.641 1.00 0.00 H new ATOM 0 HD3 ARG A 121 51.530 14.884 -37.956 1.00 0.00 H new ATOM 0 HE ARG A 121 53.678 16.589 -37.275 1.00 0.00 H new ATOM 0 HH11 ARG A 121 52.077 15.362 -40.173 1.00 0.00 H new ATOM 0 HH12 ARG A 121 52.450 16.801 -41.128 1.00 0.00 H new ATOM 0 HH21 ARG A 121 54.152 18.434 -38.508 1.00 0.00 H new ATOM 0 HH22 ARG A 121 53.620 18.532 -40.190 1.00 0.00 H new ATOM 1909 N LEU A 122 51.460 11.384 -36.205 1.00 0.00 N ATOM 1910 CA LEU A 122 51.735 9.984 -35.898 1.00 0.00 C ATOM 1911 C LEU A 122 50.439 9.202 -35.716 1.00 0.00 C ATOM 1912 O LEU A 122 49.347 9.767 -35.775 1.00 0.00 O ATOM 1913 CB LEU A 122 52.590 9.878 -34.634 1.00 0.00 C ATOM 1914 CG LEU A 122 53.738 8.868 -34.683 1.00 0.00 C ATOM 1915 CD1 LEU A 122 54.828 9.345 -35.630 1.00 0.00 C ATOM 1916 CD2 LEU A 122 54.303 8.636 -33.289 1.00 0.00 C ATOM 0 H LEU A 122 51.799 11.690 -37.117 1.00 0.00 H new ATOM 0 HA LEU A 122 52.282 9.554 -36.737 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.007 10.862 -34.418 1.00 0.00 H new ATOM 0 HB3 LEU A 122 51.939 9.618 -33.800 1.00 0.00 H new ATOM 0 HG LEU A 122 53.349 7.921 -35.058 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.636 8.614 -35.652 1.00 0.00 H new ATOM 0 HD12 LEU A 122 54.415 9.459 -36.632 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.215 10.304 -35.286 1.00 0.00 H new ATOM 0 HD21 LEU A 122 55.119 7.915 -33.342 1.00 0.00 H new ATOM 0 HD22 LEU A 122 54.677 9.578 -32.887 1.00 0.00 H new ATOM 0 HD23 LEU A 122 53.519 8.249 -32.638 1.00 0.00 H new ATOM 1928 N SER A 123 50.567 7.898 -35.493 1.00 0.00 N ATOM 1929 CA SER A 123 49.406 7.037 -35.304 1.00 0.00 C ATOM 1930 C SER A 123 49.834 5.597 -35.035 1.00 0.00 C ATOM 1931 O SER A 123 51.007 5.250 -35.176 1.00 0.00 O ATOM 1932 CB SER A 123 48.499 7.089 -36.535 1.00 0.00 C ATOM 1933 OG SER A 123 49.261 7.060 -37.730 1.00 0.00 O ATOM 0 H SER A 123 51.464 7.415 -35.439 1.00 0.00 H new ATOM 0 HA SER A 123 48.853 7.401 -34.438 1.00 0.00 H new ATOM 0 HB2 SER A 123 47.809 6.245 -36.519 1.00 0.00 H new ATOM 0 HB3 SER A 123 47.894 7.995 -36.507 1.00 0.00 H new ATOM 0 HG SER A 123 48.659 7.093 -38.503 1.00 0.00 H new ATOM 1939 N VAL A 124 48.875 4.763 -34.646 1.00 0.00 N ATOM 1940 CA VAL A 124 49.151 3.361 -34.358 1.00 0.00 C ATOM 1941 C VAL A 124 49.468 2.590 -35.635 1.00 0.00 C ATOM 1942 O VAL A 124 49.471 3.153 -36.730 1.00 0.00 O ATOM 1943 CB VAL A 124 47.961 2.689 -33.648 1.00 0.00 C ATOM 1944 CG1 VAL A 124 47.734 3.313 -32.280 1.00 0.00 C ATOM 1945 CG2 VAL A 124 46.707 2.787 -34.503 1.00 0.00 C ATOM 0 H VAL A 124 47.899 5.034 -34.523 1.00 0.00 H new ATOM 0 HA VAL A 124 50.018 3.338 -33.698 1.00 0.00 H new ATOM 0 HB VAL A 124 48.194 1.634 -33.505 1.00 0.00 H new ATOM 0 HG11 VAL A 124 46.889 2.825 -31.793 1.00 0.00 H new ATOM 0 HG12 VAL A 124 48.628 3.186 -31.669 1.00 0.00 H new ATOM 0 HG13 VAL A 124 47.522 4.376 -32.396 1.00 0.00 H new ATOM 0 HG21 VAL A 124 45.876 2.307 -33.986 1.00 0.00 H new ATOM 0 HG22 VAL A 124 46.468 3.836 -34.679 1.00 0.00 H new ATOM 0 HG23 VAL A 124 46.877 2.288 -35.457 1.00 0.00 H new ATOM 1955 N LYS A 125 49.735 1.297 -35.487 1.00 0.00 N ATOM 1956 CA LYS A 125 50.052 0.446 -36.628 1.00 0.00 C ATOM 1957 C LYS A 125 48.828 0.248 -37.517 1.00 0.00 C ATOM 1958 O LYS A 125 47.693 0.337 -37.052 1.00 0.00 O ATOM 1959 CB LYS A 125 50.572 -0.912 -36.149 1.00 0.00 C ATOM 1960 CG LYS A 125 52.006 -0.873 -35.651 1.00 0.00 C ATOM 1961 CD LYS A 125 52.071 -0.916 -34.133 1.00 0.00 C ATOM 1962 CE LYS A 125 52.982 0.171 -33.583 1.00 0.00 C ATOM 1963 NZ LYS A 125 53.041 0.145 -32.095 1.00 0.00 N ATOM 0 H LYS A 125 49.738 0.815 -34.588 1.00 0.00 H new ATOM 0 HA LYS A 125 50.828 0.940 -37.213 1.00 0.00 H new ATOM 0 HB2 LYS A 125 49.928 -1.276 -35.349 1.00 0.00 H new ATOM 0 HB3 LYS A 125 50.500 -1.628 -36.967 1.00 0.00 H new ATOM 0 HG2 LYS A 125 52.558 -1.717 -36.064 1.00 0.00 H new ATOM 0 HG3 LYS A 125 52.493 0.033 -36.011 1.00 0.00 H new ATOM 0 HD2 LYS A 125 51.069 -0.795 -33.721 1.00 0.00 H new ATOM 0 HD3 LYS A 125 52.432 -1.893 -33.811 1.00 0.00 H new ATOM 0 HE2 LYS A 125 53.986 0.043 -33.989 1.00 0.00 H new ATOM 0 HE3 LYS A 125 52.626 1.146 -33.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 53.672 0.901 -31.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 52.087 0.292 -31.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 53.405 -0.776 -31.778 1.00 0.00 H new ATOM 1977 N GLU A 126 49.069 -0.021 -38.796 1.00 0.00 N ATOM 1978 CA GLU A 126 47.985 -0.231 -39.749 1.00 0.00 C ATOM 1979 C GLU A 126 48.060 -1.628 -40.358 1.00 0.00 C ATOM 1980 O GLU A 126 47.090 -2.386 -40.320 1.00 0.00 O ATOM 1981 CB GLU A 126 48.037 0.824 -40.856 1.00 0.00 C ATOM 1982 CG GLU A 126 46.671 1.359 -41.251 1.00 0.00 C ATOM 1983 CD GLU A 126 46.619 1.815 -42.696 1.00 0.00 C ATOM 1984 OE1 GLU A 126 46.358 0.969 -43.577 1.00 0.00 O ATOM 1985 OE2 GLU A 126 46.840 3.019 -42.946 1.00 0.00 O ATOM 0 H GLU A 126 50.004 -0.099 -39.196 1.00 0.00 H new ATOM 0 HA GLU A 126 47.041 -0.137 -39.213 1.00 0.00 H new ATOM 0 HB2 GLU A 126 48.662 1.654 -40.526 1.00 0.00 H new ATOM 0 HB3 GLU A 126 48.517 0.393 -41.735 1.00 0.00 H new ATOM 0 HG2 GLU A 126 45.921 0.584 -41.091 1.00 0.00 H new ATOM 0 HG3 GLU A 126 46.410 2.194 -40.601 1.00 0.00 H new ATOM 1992 N ASP A 127 49.216 -1.961 -40.919 1.00 0.00 N ATOM 1993 CA ASP A 127 49.419 -3.267 -41.536 1.00 0.00 C ATOM 1994 C ASP A 127 50.469 -4.070 -40.776 1.00 0.00 C ATOM 1995 O ASP A 127 51.281 -3.526 -40.027 1.00 0.00 O ATOM 1996 CB ASP A 127 49.843 -3.104 -42.997 1.00 0.00 C ATOM 1997 CG ASP A 127 50.690 -1.867 -43.220 1.00 0.00 C ATOM 1998 OD1 ASP A 127 50.117 -0.759 -43.279 1.00 0.00 O ATOM 1999 OD2 ASP A 127 51.926 -2.006 -43.335 1.00 0.00 O ATOM 0 H ASP A 127 50.028 -1.345 -40.960 1.00 0.00 H new ATOM 0 HA ASP A 127 48.475 -3.810 -41.498 1.00 0.00 H new ATOM 0 HB2 ASP A 127 50.403 -3.985 -43.310 1.00 0.00 H new ATOM 0 HB3 ASP A 127 48.955 -3.051 -43.626 1.00 0.00 H new ATOM 2004 N PRO A 128 50.455 -5.397 -40.970 1.00 0.00 N ATOM 2005 CA PRO A 128 51.399 -6.304 -40.310 1.00 0.00 C ATOM 2006 C PRO A 128 52.821 -6.144 -40.838 1.00 0.00 C ATOM 2007 O PRO A 128 53.538 -5.224 -40.447 1.00 0.00 O ATOM 2008 CB PRO A 128 50.854 -7.693 -40.653 1.00 0.00 C ATOM 2009 CG PRO A 128 50.094 -7.501 -41.919 1.00 0.00 C ATOM 2010 CD PRO A 128 49.515 -6.115 -41.848 1.00 0.00 C ATOM 0 HA PRO A 128 51.470 -6.111 -39.240 1.00 0.00 H new ATOM 0 HB2 PRO A 128 51.661 -8.414 -40.782 1.00 0.00 H new ATOM 0 HB3 PRO A 128 50.211 -8.073 -39.859 1.00 0.00 H new ATOM 0 HG2 PRO A 128 50.746 -7.608 -42.786 1.00 0.00 H new ATOM 0 HG3 PRO A 128 49.307 -8.248 -42.019 1.00 0.00 H new ATOM 0 HD2 PRO A 128 49.454 -5.654 -42.834 1.00 0.00 H new ATOM 0 HD3 PRO A 128 48.506 -6.122 -41.436 1.00 0.00 H new TER 2018 PRO A 128