USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 749 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 62 THR OG1 : rot -149:sc= 0.0883 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.0161 USER MOD Set 2.1: A 41 GLN :FLIP amide:sc= -0.672 F(o=-5.8,f=-1.6) USER MOD Set 2.2: A 46 ASN : amide:sc= -0.908 K(o=-1.6,f=-2.7) USER MOD Set 3.1: A 15 SER OG : rot 180:sc= -0.0418 USER MOD Set 3.2: A 16 HIS : no HD1:sc= -0.0373 X(o=-0.079,f=0.08) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0836 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 48:sc= 1.2 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 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1.4!) USER MOD Single : A 22 SER OG : rot -170:sc=-0.00602 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 94:sc= -0.0826 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -104:sc= 0.134 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 121:sc= 1.14 USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 0.516 (180deg=0.499) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0.656 (180deg=0.49) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0241) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 76:sc= -0.321 USER MOD Single : A 91 SER OG : rot 180:sc= -3.45! USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= -1.25 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 37:sc= 0.645 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 109.776 8.327 -20.550 1.00 0.00 N ATOM 2 CA GLY A 1 110.429 7.092 -20.038 1.00 0.00 C ATOM 3 C GLY A 1 110.587 7.101 -18.531 1.00 0.00 C ATOM 4 O GLY A 1 110.302 8.105 -17.876 1.00 0.00 O ATOM 0 H1 GLY A 1 108.880 8.078 -21.016 1.00 0.00 H new ATOM 0 H2 GLY A 1 109.587 8.974 -19.758 1.00 0.00 H new ATOM 0 H3 GLY A 1 110.404 8.793 -21.235 1.00 0.00 H new ATOM 0 HA2 GLY A 1 109.839 6.224 -20.333 1.00 0.00 H new ATOM 0 HA3 GLY A 1 111.409 6.984 -20.502 1.00 0.00 H new ATOM 10 N SER A 2 111.043 5.982 -17.978 1.00 0.00 N ATOM 11 CA SER A 2 111.239 5.865 -16.538 1.00 0.00 C ATOM 12 C SER A 2 112.551 6.516 -16.111 1.00 0.00 C ATOM 13 O SER A 2 113.614 5.897 -16.184 1.00 0.00 O ATOM 14 CB SER A 2 111.225 4.394 -16.117 1.00 0.00 C ATOM 15 OG SER A 2 110.002 3.772 -16.475 1.00 0.00 O ATOM 0 H SER A 2 111.284 5.143 -18.506 1.00 0.00 H new ATOM 0 HA SER A 2 110.419 6.385 -16.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.055 3.869 -16.590 1.00 0.00 H new ATOM 0 HB3 SER A 2 111.373 4.319 -15.040 1.00 0.00 H new ATOM 0 HG SER A 2 110.019 2.833 -16.197 1.00 0.00 H new ATOM 21 N SER A 3 112.470 7.766 -15.669 1.00 0.00 N ATOM 22 CA SER A 3 113.651 8.500 -15.231 1.00 0.00 C ATOM 23 C SER A 3 114.121 8.012 -13.865 1.00 0.00 C ATOM 24 O SER A 3 113.652 8.486 -12.831 1.00 0.00 O ATOM 25 CB SER A 3 113.354 9.999 -15.175 1.00 0.00 C ATOM 26 OG SER A 3 112.378 10.289 -14.190 1.00 0.00 O ATOM 0 H SER A 3 111.599 8.292 -15.605 1.00 0.00 H new ATOM 0 HA SER A 3 114.447 8.321 -15.954 1.00 0.00 H new ATOM 0 HB2 SER A 3 114.271 10.547 -14.955 1.00 0.00 H new ATOM 0 HB3 SER A 3 113.004 10.340 -16.149 1.00 0.00 H new ATOM 0 HG SER A 3 112.615 9.840 -13.352 1.00 0.00 H new ATOM 32 N GLY A 4 115.050 7.061 -13.868 1.00 0.00 N ATOM 33 CA GLY A 4 115.567 6.524 -12.624 1.00 0.00 C ATOM 34 C GLY A 4 116.956 7.039 -12.303 1.00 0.00 C ATOM 35 O GLY A 4 117.941 6.312 -12.437 1.00 0.00 O ATOM 0 H GLY A 4 115.454 6.653 -14.711 1.00 0.00 H new ATOM 0 HA2 GLY A 4 114.890 6.784 -11.810 1.00 0.00 H new ATOM 0 HA3 GLY A 4 115.591 5.436 -12.684 1.00 0.00 H new ATOM 39 N SER A 5 117.036 8.296 -11.879 1.00 0.00 N ATOM 40 CA SER A 5 118.315 8.907 -11.538 1.00 0.00 C ATOM 41 C SER A 5 118.862 8.335 -10.234 1.00 0.00 C ATOM 42 O SER A 5 118.354 8.631 -9.153 1.00 0.00 O ATOM 43 CB SER A 5 118.163 10.425 -11.416 1.00 0.00 C ATOM 44 OG SER A 5 118.434 11.066 -12.651 1.00 0.00 O ATOM 0 H SER A 5 116.230 8.911 -11.763 1.00 0.00 H new ATOM 0 HA SER A 5 119.020 8.681 -12.338 1.00 0.00 H new ATOM 0 HB2 SER A 5 117.151 10.667 -11.091 1.00 0.00 H new ATOM 0 HB3 SER A 5 118.842 10.801 -10.651 1.00 0.00 H new ATOM 0 HG SER A 5 118.328 12.035 -12.547 1.00 0.00 H new ATOM 50 N SER A 6 119.900 7.513 -10.346 1.00 0.00 N ATOM 51 CA SER A 6 120.517 6.898 -9.176 1.00 0.00 C ATOM 52 C SER A 6 121.346 7.916 -8.400 1.00 0.00 C ATOM 53 O SER A 6 122.263 8.530 -8.945 1.00 0.00 O ATOM 54 CB SER A 6 121.398 5.721 -9.598 1.00 0.00 C ATOM 55 OG SER A 6 120.613 4.582 -9.910 1.00 0.00 O ATOM 0 H SER A 6 120.332 7.257 -11.234 1.00 0.00 H new ATOM 0 HA SER A 6 119.722 6.533 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 6 121.996 6.003 -10.465 1.00 0.00 H new ATOM 0 HB3 SER A 6 122.094 5.478 -8.795 1.00 0.00 H new ATOM 0 HG SER A 6 121.199 3.844 -10.178 1.00 0.00 H new ATOM 61 N GLY A 7 121.018 8.090 -7.124 1.00 0.00 N ATOM 62 CA GLY A 7 121.741 9.034 -6.294 1.00 0.00 C ATOM 63 C GLY A 7 123.057 8.474 -5.789 1.00 0.00 C ATOM 64 O GLY A 7 123.371 7.306 -6.020 1.00 0.00 O ATOM 0 H GLY A 7 120.264 7.593 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 7 121.932 9.943 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 7 121.120 9.316 -5.444 1.00 0.00 H new ATOM 68 N LEU A 8 123.827 9.308 -5.098 1.00 0.00 N ATOM 69 CA LEU A 8 125.116 8.891 -4.559 1.00 0.00 C ATOM 70 C LEU A 8 125.238 9.269 -3.087 1.00 0.00 C ATOM 71 O LEU A 8 124.313 9.831 -2.501 1.00 0.00 O ATOM 72 CB LEU A 8 126.256 9.526 -5.357 1.00 0.00 C ATOM 73 CG LEU A 8 126.181 9.318 -6.871 1.00 0.00 C ATOM 74 CD1 LEU A 8 126.778 10.510 -7.604 1.00 0.00 C ATOM 75 CD2 LEU A 8 126.893 8.035 -7.268 1.00 0.00 C ATOM 0 H LEU A 8 123.580 10.277 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 8 125.183 7.806 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 8 126.270 10.597 -5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 8 127.201 9.121 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 8 125.132 9.231 -7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 8 126.716 10.344 -8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 8 126.224 11.412 -7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 8 127.822 10.629 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 8 126.830 7.903 -8.348 1.00 0.00 H new ATOM 0 HD22 LEU A 8 127.940 8.093 -6.970 1.00 0.00 H new ATOM 0 HD23 LEU A 8 126.421 7.188 -6.771 1.00 0.00 H new ATOM 87 N ALA A 9 126.386 8.956 -2.494 1.00 0.00 N ATOM 88 CA ALA A 9 126.629 9.263 -1.089 1.00 0.00 C ATOM 89 C ALA A 9 128.123 9.319 -0.790 1.00 0.00 C ATOM 90 O ALA A 9 128.784 8.286 -0.684 1.00 0.00 O ATOM 91 CB ALA A 9 125.948 8.234 -0.200 1.00 0.00 C ATOM 0 H ALA A 9 127.162 8.490 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 9 126.207 10.245 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 9 126.137 8.475 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 9 124.874 8.246 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 9 126.344 7.243 -0.422 1.00 0.00 H new ATOM 97 N MET A 10 128.649 10.532 -0.656 1.00 0.00 N ATOM 98 CA MET A 10 130.065 10.723 -0.368 1.00 0.00 C ATOM 99 C MET A 10 130.375 12.196 -0.106 1.00 0.00 C ATOM 100 O MET A 10 131.055 12.848 -0.897 1.00 0.00 O ATOM 101 CB MET A 10 130.917 10.208 -1.531 1.00 0.00 C ATOM 102 CG MET A 10 130.463 10.718 -2.889 1.00 0.00 C ATOM 103 SD MET A 10 130.805 9.549 -4.219 1.00 0.00 S ATOM 104 CE MET A 10 131.247 10.668 -5.547 1.00 0.00 C ATOM 0 H MET A 10 128.116 11.397 -0.742 1.00 0.00 H new ATOM 0 HA MET A 10 130.307 10.155 0.530 1.00 0.00 H new ATOM 0 HB2 MET A 10 131.954 10.503 -1.369 1.00 0.00 H new ATOM 0 HB3 MET A 10 130.892 9.118 -1.534 1.00 0.00 H new ATOM 0 HG2 MET A 10 129.393 10.923 -2.857 1.00 0.00 H new ATOM 0 HG3 MET A 10 130.962 11.663 -3.104 1.00 0.00 H new ATOM 0 HE1 MET A 10 131.486 10.094 -6.442 1.00 0.00 H new ATOM 0 HE2 MET A 10 130.409 11.333 -5.756 1.00 0.00 H new ATOM 0 HE3 MET A 10 132.114 11.258 -5.252 1.00 0.00 H new ATOM 114 N PRO A 11 129.875 12.741 1.016 1.00 0.00 N ATOM 115 CA PRO A 11 130.099 14.144 1.382 1.00 0.00 C ATOM 116 C PRO A 11 131.584 14.494 1.481 1.00 0.00 C ATOM 117 O PRO A 11 132.022 15.511 0.943 1.00 0.00 O ATOM 118 CB PRO A 11 129.422 14.281 2.749 1.00 0.00 C ATOM 119 CG PRO A 11 128.447 13.156 2.814 1.00 0.00 C ATOM 120 CD PRO A 11 129.052 12.036 2.016 1.00 0.00 C ATOM 0 HA PRO A 11 129.698 14.823 0.629 1.00 0.00 H new ATOM 0 HB2 PRO A 11 130.150 14.219 3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 11 128.920 15.244 2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 11 128.273 12.850 3.846 1.00 0.00 H new ATOM 0 HG3 PRO A 11 127.482 13.452 2.402 1.00 0.00 H new ATOM 0 HD2 PRO A 11 129.654 11.376 2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 11 128.287 11.418 1.545 1.00 0.00 H new ATOM 128 N PRO A 12 132.385 13.659 2.172 1.00 0.00 N ATOM 129 CA PRO A 12 133.818 13.901 2.329 1.00 0.00 C ATOM 130 C PRO A 12 134.619 13.477 1.102 1.00 0.00 C ATOM 131 O PRO A 12 135.603 14.120 0.738 1.00 0.00 O ATOM 132 CB PRO A 12 134.181 13.034 3.531 1.00 0.00 C ATOM 133 CG PRO A 12 133.233 11.887 3.465 1.00 0.00 C ATOM 134 CD PRO A 12 131.961 12.417 2.853 1.00 0.00 C ATOM 0 HA PRO A 12 134.045 14.959 2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 12 135.216 12.697 3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 12 134.072 13.585 4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 12 133.645 11.077 2.863 1.00 0.00 H new ATOM 0 HG3 PRO A 12 133.045 11.481 4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 12 131.528 11.704 2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 12 131.205 12.616 3.612 1.00 0.00 H new ATOM 142 N GLY A 13 134.188 12.392 0.467 1.00 0.00 N ATOM 143 CA GLY A 13 134.875 11.901 -0.713 1.00 0.00 C ATOM 144 C GLY A 13 135.010 10.391 -0.720 1.00 0.00 C ATOM 145 O GLY A 13 134.551 9.716 0.201 1.00 0.00 O ATOM 0 H GLY A 13 133.375 11.844 0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 13 134.333 12.218 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 13 135.866 12.351 -0.766 1.00 0.00 H new ATOM 149 N ASN A 14 135.641 9.860 -1.761 1.00 0.00 N ATOM 150 CA ASN A 14 135.837 8.420 -1.885 1.00 0.00 C ATOM 151 C ASN A 14 134.497 7.691 -1.923 1.00 0.00 C ATOM 152 O ASN A 14 133.438 8.314 -1.851 1.00 0.00 O ATOM 153 CB ASN A 14 136.683 7.898 -0.723 1.00 0.00 C ATOM 154 CG ASN A 14 138.135 8.322 -0.829 1.00 0.00 C ATOM 155 OD1 ASN A 14 138.617 8.665 -1.908 1.00 0.00 O ATOM 156 ND2 ASN A 14 138.841 8.302 0.296 1.00 0.00 N ATOM 0 H ASN A 14 136.026 10.405 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 14 136.361 8.228 -2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 14 136.269 8.262 0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 14 136.626 6.810 -0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 14 139.823 8.578 0.287 1.00 0.00 H new ATOM 0 HD22 ASN A 14 138.401 8.011 1.169 1.00 0.00 H new ATOM 163 N SER A 15 134.553 6.368 -2.035 1.00 0.00 N ATOM 164 CA SER A 15 133.345 5.554 -2.081 1.00 0.00 C ATOM 165 C SER A 15 132.712 5.439 -0.698 1.00 0.00 C ATOM 166 O SER A 15 131.601 5.916 -0.471 1.00 0.00 O ATOM 167 CB SER A 15 133.664 4.161 -2.626 1.00 0.00 C ATOM 168 OG SER A 15 132.515 3.330 -2.608 1.00 0.00 O ATOM 0 H SER A 15 135.422 5.837 -2.096 1.00 0.00 H new ATOM 0 HA SER A 15 132.633 6.043 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 15 134.041 4.244 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 15 134.455 3.706 -2.030 1.00 0.00 H new ATOM 0 HG SER A 15 132.745 2.446 -2.963 1.00 0.00 H new ATOM 174 N HIS A 16 133.429 4.802 0.223 1.00 0.00 N ATOM 175 CA HIS A 16 132.938 4.625 1.585 1.00 0.00 C ATOM 176 C HIS A 16 133.755 5.454 2.570 1.00 0.00 C ATOM 177 O HIS A 16 133.221 6.328 3.255 1.00 0.00 O ATOM 178 CB HIS A 16 132.989 3.147 1.979 1.00 0.00 C ATOM 179 CG HIS A 16 131.830 2.351 1.466 1.00 0.00 C ATOM 180 ND1 HIS A 16 131.190 1.385 2.214 1.00 0.00 N ATOM 181 CD2 HIS A 16 131.194 2.380 0.270 1.00 0.00 C ATOM 182 CE1 HIS A 16 130.213 0.855 1.502 1.00 0.00 C ATOM 183 NE2 HIS A 16 130.193 1.441 0.320 1.00 0.00 N ATOM 0 H HIS A 16 134.351 4.400 0.051 1.00 0.00 H new ATOM 0 HA HIS A 16 131.904 4.968 1.620 1.00 0.00 H new ATOM 0 HB2 HIS A 16 133.914 2.711 1.602 1.00 0.00 H new ATOM 0 HB3 HIS A 16 133.020 3.070 3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 16 131.430 3.021 -0.566 1.00 0.00 H new ATOM 0 HE1 HIS A 16 129.543 0.074 1.831 1.00 0.00 H new ATOM 0 HE2 HIS A 16 129.540 1.231 -0.435 1.00 0.00 H new ATOM 192 N GLY A 17 135.053 5.176 2.637 1.00 0.00 N ATOM 193 CA GLY A 17 135.923 5.906 3.540 1.00 0.00 C ATOM 194 C GLY A 17 137.327 5.338 3.579 1.00 0.00 C ATOM 195 O GLY A 17 137.793 4.888 4.626 1.00 0.00 O ATOM 0 H GLY A 17 135.518 4.458 2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 17 135.966 6.951 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 17 135.498 5.886 4.544 1.00 0.00 H new ATOM 199 N LEU A 18 138.003 5.358 2.435 1.00 0.00 N ATOM 200 CA LEU A 18 139.364 4.840 2.343 1.00 0.00 C ATOM 201 C LEU A 18 140.375 5.880 2.816 1.00 0.00 C ATOM 202 O LEU A 18 140.747 6.783 2.069 1.00 0.00 O ATOM 203 CB LEU A 18 139.678 4.425 0.904 1.00 0.00 C ATOM 204 CG LEU A 18 138.592 3.593 0.219 1.00 0.00 C ATOM 205 CD1 LEU A 18 138.622 3.811 -1.286 1.00 0.00 C ATOM 206 CD2 LEU A 18 138.766 2.118 0.549 1.00 0.00 C ATOM 0 H LEU A 18 137.632 5.727 1.560 1.00 0.00 H new ATOM 0 HA LEU A 18 139.438 3.966 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 18 139.853 5.324 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.607 3.855 0.901 1.00 0.00 H new ATOM 0 HG LEU A 18 137.621 3.918 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 18 137.843 3.211 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 18 138.450 4.865 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 18 139.595 3.513 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 18 137.986 1.540 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 18 139.743 1.780 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.694 1.976 1.627 1.00 0.00 H new ATOM 218 N GLU A 19 140.815 5.743 4.063 1.00 0.00 N ATOM 219 CA GLU A 19 141.783 6.672 4.636 1.00 0.00 C ATOM 220 C GLU A 19 142.815 5.929 5.479 1.00 0.00 C ATOM 221 O GLU A 19 142.747 4.709 5.629 1.00 0.00 O ATOM 222 CB GLU A 19 141.071 7.722 5.490 1.00 0.00 C ATOM 223 CG GLU A 19 140.297 7.134 6.659 1.00 0.00 C ATOM 224 CD GLU A 19 138.960 7.814 6.874 1.00 0.00 C ATOM 225 OE1 GLU A 19 138.947 9.047 7.076 1.00 0.00 O ATOM 226 OE2 GLU A 19 137.926 7.115 6.841 1.00 0.00 O ATOM 0 H GLU A 19 140.518 5.000 4.695 1.00 0.00 H new ATOM 0 HA GLU A 19 142.300 7.171 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 19 141.808 8.428 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.385 8.287 4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 19 140.135 6.070 6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.895 7.221 7.566 1.00 0.00 H new ATOM 233 N VAL A 20 143.770 6.673 6.027 1.00 0.00 N ATOM 234 CA VAL A 20 144.816 6.085 6.855 1.00 0.00 C ATOM 235 C VAL A 20 144.228 5.443 8.107 1.00 0.00 C ATOM 236 O VAL A 20 143.419 6.052 8.808 1.00 0.00 O ATOM 237 CB VAL A 20 145.861 7.139 7.273 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.021 6.481 8.006 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.357 7.912 6.061 1.00 0.00 C ATOM 0 H VAL A 20 143.841 7.684 5.913 1.00 0.00 H new ATOM 0 HA VAL A 20 145.305 5.320 6.252 1.00 0.00 H new ATOM 0 HB VAL A 20 145.384 7.844 7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.748 7.241 8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.649 5.979 8.899 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.498 5.751 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.094 8.651 6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.816 7.222 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.518 8.418 5.584 1.00 0.00 H new ATOM 249 N GLY A 21 144.638 4.210 8.382 1.00 0.00 N ATOM 250 CA GLY A 21 144.141 3.506 9.549 1.00 0.00 C ATOM 251 C GLY A 21 143.099 2.461 9.198 1.00 0.00 C ATOM 252 O GLY A 21 142.989 1.435 9.867 1.00 0.00 O ATOM 0 H GLY A 21 145.306 3.685 7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 21 144.974 3.025 10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.710 4.224 10.246 1.00 0.00 H new ATOM 256 N SER A 22 142.331 2.726 8.146 1.00 0.00 N ATOM 257 CA SER A 22 141.292 1.801 7.707 1.00 0.00 C ATOM 258 C SER A 22 141.866 0.741 6.773 1.00 0.00 C ATOM 259 O SER A 22 142.852 0.981 6.076 1.00 0.00 O ATOM 260 CB SER A 22 140.167 2.563 7.004 1.00 0.00 C ATOM 261 OG SER A 22 139.925 3.810 7.631 1.00 0.00 O ATOM 0 H SER A 22 142.408 3.573 7.582 1.00 0.00 H new ATOM 0 HA SER A 22 140.888 1.302 8.588 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.430 2.723 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.256 1.964 7.015 1.00 0.00 H new ATOM 0 HG SER A 22 139.105 4.205 7.267 1.00 0.00 H new ATOM 267 N LEU A 23 141.242 -0.432 6.764 1.00 0.00 N ATOM 268 CA LEU A 23 141.691 -1.530 5.915 1.00 0.00 C ATOM 269 C LEU A 23 141.197 -1.347 4.483 1.00 0.00 C ATOM 270 O LEU A 23 140.145 -0.753 4.249 1.00 0.00 O ATOM 271 CB LEU A 23 141.196 -2.867 6.470 1.00 0.00 C ATOM 272 CG LEU A 23 141.604 -3.157 7.915 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.672 -4.187 8.535 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.046 -3.636 7.975 1.00 0.00 C ATOM 0 H LEU A 23 140.424 -0.647 7.335 1.00 0.00 H new ATOM 0 HA LEU A 23 142.781 -1.529 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.108 -2.891 6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.572 -3.669 5.834 1.00 0.00 H new ATOM 0 HG LEU A 23 141.525 -2.233 8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 23 140.977 -4.381 9.563 1.00 0.00 H new ATOM 0 HD12 LEU A 23 139.651 -3.806 8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.719 -5.113 7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.320 -3.838 9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.151 -4.548 7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.702 -2.866 7.570 1.00 0.00 H new ATOM 286 N ALA A 24 141.966 -1.861 3.528 1.00 0.00 N ATOM 287 CA ALA A 24 141.607 -1.755 2.119 1.00 0.00 C ATOM 288 C ALA A 24 142.207 -2.901 1.312 1.00 0.00 C ATOM 289 O ALA A 24 143.207 -3.497 1.710 1.00 0.00 O ATOM 290 CB ALA A 24 142.064 -0.416 1.558 1.00 0.00 C ATOM 0 H ALA A 24 142.841 -2.355 3.705 1.00 0.00 H new ATOM 0 HA ALA A 24 140.522 -1.819 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.790 -0.350 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.584 0.392 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.146 -0.330 1.657 1.00 0.00 H new ATOM 296 N GLU A 25 141.589 -3.203 0.174 1.00 0.00 N ATOM 297 CA GLU A 25 142.062 -4.278 -0.690 1.00 0.00 C ATOM 298 C GLU A 25 142.338 -3.762 -2.098 1.00 0.00 C ATOM 299 O GLU A 25 141.676 -2.839 -2.573 1.00 0.00 O ATOM 300 CB GLU A 25 141.033 -5.409 -0.743 1.00 0.00 C ATOM 301 CG GLU A 25 141.594 -6.719 -1.273 1.00 0.00 C ATOM 302 CD GLU A 25 140.616 -7.452 -2.170 1.00 0.00 C ATOM 303 OE1 GLU A 25 140.373 -6.974 -3.298 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.094 -8.503 -1.745 1.00 0.00 O ATOM 0 H GLU A 25 140.760 -2.718 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 25 142.993 -4.662 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.634 -5.573 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.198 -5.100 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.511 -6.519 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 25 141.863 -7.361 -0.434 1.00 0.00 H new ATOM 311 N VAL A 26 143.320 -4.363 -2.762 1.00 0.00 N ATOM 312 CA VAL A 26 143.685 -3.963 -4.117 1.00 0.00 C ATOM 313 C VAL A 26 143.360 -5.066 -5.118 1.00 0.00 C ATOM 314 O VAL A 26 143.246 -6.236 -4.754 1.00 0.00 O ATOM 315 CB VAL A 26 145.182 -3.618 -4.218 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.509 -3.044 -5.588 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.584 -2.644 -3.118 1.00 0.00 C ATOM 0 H VAL A 26 143.878 -5.129 -2.384 1.00 0.00 H new ATOM 0 HA VAL A 26 143.100 -3.074 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 26 145.754 -4.537 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.572 -2.807 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.263 -3.776 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 26 144.927 -2.137 -5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.645 -2.413 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.003 -1.726 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.391 -3.095 -2.145 1.00 0.00 H new ATOM 327 N LYS A 27 143.212 -4.684 -6.384 1.00 0.00 N ATOM 328 CA LYS A 27 142.900 -5.642 -7.439 1.00 0.00 C ATOM 329 C LYS A 27 144.165 -6.072 -8.175 1.00 0.00 C ATOM 330 O LYS A 27 144.162 -6.233 -9.396 1.00 0.00 O ATOM 331 CB LYS A 27 141.902 -5.034 -8.427 1.00 0.00 C ATOM 332 CG LYS A 27 140.894 -6.036 -8.966 1.00 0.00 C ATOM 333 CD LYS A 27 139.575 -5.367 -9.315 1.00 0.00 C ATOM 334 CE LYS A 27 138.895 -6.053 -10.489 1.00 0.00 C ATOM 335 NZ LYS A 27 137.541 -5.492 -10.753 1.00 0.00 N ATOM 0 H LYS A 27 143.303 -3.719 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 27 142.454 -6.523 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 27 141.367 -4.221 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 27 142.450 -4.597 -9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 27 141.302 -6.523 -9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 27 140.722 -6.816 -8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 27 138.915 -5.388 -8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 27 139.750 -4.319 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 27 139.513 -5.944 -11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 27 138.812 -7.121 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 137.112 -5.987 -11.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 136.943 -5.618 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 137.622 -4.478 -10.971 1.00 0.00 H new ATOM 349 N GLU A 28 145.246 -6.258 -7.425 1.00 0.00 N ATOM 350 CA GLU A 28 146.518 -6.670 -8.006 1.00 0.00 C ATOM 351 C GLU A 28 146.536 -8.173 -8.267 1.00 0.00 C ATOM 352 O GLU A 28 145.548 -8.866 -8.026 1.00 0.00 O ATOM 353 CB GLU A 28 147.676 -6.285 -7.081 1.00 0.00 C ATOM 354 CG GLU A 28 148.812 -5.570 -7.793 1.00 0.00 C ATOM 355 CD GLU A 28 149.849 -5.024 -6.832 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.665 -3.890 -6.341 1.00 0.00 O ATOM 357 OE2 GLU A 28 150.846 -5.729 -6.570 1.00 0.00 O ATOM 0 H GLU A 28 145.266 -6.130 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 28 146.638 -6.153 -8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 28 147.297 -5.644 -6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 28 148.066 -7.186 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 28 149.292 -6.260 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.406 -4.751 -8.387 1.00 0.00 H new ATOM 364 N ASN A 29 147.665 -8.670 -8.759 1.00 0.00 N ATOM 365 CA ASN A 29 147.812 -10.091 -9.051 1.00 0.00 C ATOM 366 C ASN A 29 147.742 -10.920 -7.771 1.00 0.00 C ATOM 367 O ASN A 29 146.888 -11.796 -7.635 1.00 0.00 O ATOM 368 CB ASN A 29 149.137 -10.351 -9.771 1.00 0.00 C ATOM 369 CG ASN A 29 148.975 -10.405 -11.278 1.00 0.00 C ATOM 370 OD1 ASN A 29 148.949 -11.483 -11.873 1.00 0.00 O ATOM 371 ND2 ASN A 29 148.866 -9.238 -11.903 1.00 0.00 N ATOM 0 H ASN A 29 148.492 -8.110 -8.964 1.00 0.00 H new ATOM 0 HA ASN A 29 146.990 -10.390 -9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 29 149.848 -9.566 -9.513 1.00 0.00 H new ATOM 0 HB3 ASN A 29 149.560 -11.292 -9.420 1.00 0.00 H new ATOM 0 HD21 ASN A 29 148.755 -9.211 -12.917 1.00 0.00 H new ATOM 0 HD22 ASN A 29 148.893 -8.369 -11.369 1.00 0.00 H new ATOM 378 N PRO A 30 148.644 -10.654 -6.810 1.00 0.00 N ATOM 379 CA PRO A 30 148.679 -11.379 -5.538 1.00 0.00 C ATOM 380 C PRO A 30 147.577 -10.926 -4.581 1.00 0.00 C ATOM 381 O PRO A 30 147.624 -9.814 -4.054 1.00 0.00 O ATOM 382 CB PRO A 30 150.055 -11.023 -4.975 1.00 0.00 C ATOM 383 CG PRO A 30 150.347 -9.672 -5.528 1.00 0.00 C ATOM 384 CD PRO A 30 149.700 -9.624 -6.887 1.00 0.00 C ATOM 0 HA PRO A 30 148.517 -12.449 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 30 150.047 -11.012 -3.885 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.809 -11.748 -5.281 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.948 -8.892 -4.880 1.00 0.00 H new ATOM 0 HG3 PRO A 30 151.422 -9.506 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 30 149.284 -8.639 -7.097 1.00 0.00 H new ATOM 0 HD3 PRO A 30 150.416 -9.843 -7.679 1.00 0.00 H new ATOM 392 N PRO A 31 146.566 -11.781 -4.340 1.00 0.00 N ATOM 393 CA PRO A 31 145.456 -11.452 -3.440 1.00 0.00 C ATOM 394 C PRO A 31 145.899 -11.362 -1.984 1.00 0.00 C ATOM 395 O PRO A 31 145.964 -12.370 -1.281 1.00 0.00 O ATOM 396 CB PRO A 31 144.481 -12.617 -3.631 1.00 0.00 C ATOM 397 CG PRO A 31 145.328 -13.747 -4.103 1.00 0.00 C ATOM 398 CD PRO A 31 146.425 -13.129 -4.923 1.00 0.00 C ATOM 0 HA PRO A 31 145.024 -10.478 -3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.974 -12.865 -2.699 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.708 -12.371 -4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 31 145.738 -14.305 -3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 31 144.745 -14.450 -4.698 1.00 0.00 H new ATOM 0 HD2 PRO A 31 147.352 -13.698 -4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 31 146.161 -13.085 -5.980 1.00 0.00 H new ATOM 406 N PHE A 32 146.203 -10.148 -1.538 1.00 0.00 N ATOM 407 CA PHE A 32 146.641 -9.923 -0.166 1.00 0.00 C ATOM 408 C PHE A 32 145.724 -8.933 0.544 1.00 0.00 C ATOM 409 O PHE A 32 144.840 -8.338 -0.074 1.00 0.00 O ATOM 410 CB PHE A 32 148.080 -9.407 -0.145 1.00 0.00 C ATOM 411 CG PHE A 32 148.292 -8.187 -0.997 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.740 -6.969 -0.633 1.00 0.00 C ATOM 413 CD2 PHE A 32 149.042 -8.259 -2.158 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.932 -5.845 -1.414 1.00 0.00 C ATOM 415 CE2 PHE A 32 149.238 -7.138 -2.944 1.00 0.00 C ATOM 416 CZ PHE A 32 148.682 -5.930 -2.571 1.00 0.00 C ATOM 0 H PHE A 32 146.154 -9.304 -2.108 1.00 0.00 H new ATOM 0 HA PHE A 32 146.596 -10.875 0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.360 -9.176 0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.747 -10.199 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 32 147.153 -6.897 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.479 -9.201 -2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 32 147.496 -4.901 -1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.825 -7.207 -3.848 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.833 -5.053 -3.183 1.00 0.00 H new ATOM 426 N TYR A 33 145.939 -8.760 1.844 1.00 0.00 N ATOM 427 CA TYR A 33 145.131 -7.841 2.637 1.00 0.00 C ATOM 428 C TYR A 33 146.016 -6.929 3.481 1.00 0.00 C ATOM 429 O TYR A 33 146.804 -7.398 4.302 1.00 0.00 O ATOM 430 CB TYR A 33 144.174 -8.620 3.540 1.00 0.00 C ATOM 431 CG TYR A 33 143.008 -9.236 2.800 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.205 -8.467 1.967 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.710 -10.586 2.936 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.138 -9.026 1.290 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.645 -11.152 2.261 1.00 0.00 C ATOM 436 CZ TYR A 33 140.862 -10.369 1.439 1.00 0.00 C ATOM 437 OH TYR A 33 139.801 -10.929 0.767 1.00 0.00 O ATOM 0 H TYR A 33 146.666 -9.244 2.371 1.00 0.00 H new ATOM 0 HA TYR A 33 144.551 -7.223 1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.729 -9.409 4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 33 143.791 -7.952 4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.418 -7.415 1.847 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.320 -11.203 3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.523 -8.414 0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.427 -12.203 2.377 1.00 0.00 H new ATOM 0 HH TYR A 33 139.746 -11.884 0.981 1.00 0.00 H new ATOM 447 N GLY A 34 145.880 -5.623 3.273 1.00 0.00 N ATOM 448 CA GLY A 34 146.673 -4.667 4.022 1.00 0.00 C ATOM 449 C GLY A 34 145.866 -3.460 4.458 1.00 0.00 C ATOM 450 O GLY A 34 144.754 -3.241 3.978 1.00 0.00 O ATOM 0 H GLY A 34 145.235 -5.210 2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.092 -5.157 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.513 -4.337 3.410 1.00 0.00 H new ATOM 454 N VAL A 35 146.428 -2.675 5.373 1.00 0.00 N ATOM 455 CA VAL A 35 145.754 -1.484 5.875 1.00 0.00 C ATOM 456 C VAL A 35 146.411 -0.215 5.340 1.00 0.00 C ATOM 457 O VAL A 35 147.621 -0.176 5.121 1.00 0.00 O ATOM 458 CB VAL A 35 145.756 -1.446 7.417 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.180 -1.401 7.951 1.00 0.00 C ATOM 460 CG2 VAL A 35 144.950 -0.261 7.926 1.00 0.00 C ATOM 0 H VAL A 35 147.348 -2.843 5.781 1.00 0.00 H new ATOM 0 HA VAL A 35 144.723 -1.529 5.524 1.00 0.00 H new ATOM 0 HB VAL A 35 145.285 -2.359 7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.159 -1.375 9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.721 -2.287 7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.681 -0.509 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 35 144.964 -0.253 9.016 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.387 0.664 7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 35 143.921 -0.344 7.577 1.00 0.00 H new ATOM 470 N ILE A 36 145.604 0.821 5.134 1.00 0.00 N ATOM 471 CA ILE A 36 146.108 2.091 4.625 1.00 0.00 C ATOM 472 C ILE A 36 147.069 2.736 5.619 1.00 0.00 C ATOM 473 O ILE A 36 146.838 2.711 6.827 1.00 0.00 O ATOM 474 CB ILE A 36 144.959 3.074 4.326 1.00 0.00 C ATOM 475 CG1 ILE A 36 143.910 2.412 3.430 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.497 4.338 3.673 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.744 3.315 3.095 1.00 0.00 C ATOM 0 H ILE A 36 144.600 0.806 5.312 1.00 0.00 H new ATOM 0 HA ILE A 36 146.638 1.873 3.698 1.00 0.00 H new ATOM 0 HB ILE A 36 144.484 3.349 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.386 2.089 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.535 1.516 3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.673 5.021 3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.209 4.819 4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 36 145.995 4.081 2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.041 2.780 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.242 3.618 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.107 4.199 2.572 1.00 0.00 H new ATOM 489 N ARG A 37 148.149 3.311 5.101 1.00 0.00 N ATOM 490 CA ARG A 37 149.147 3.962 5.942 1.00 0.00 C ATOM 491 C ARG A 37 149.368 5.408 5.509 1.00 0.00 C ATOM 492 O ARG A 37 149.156 6.337 6.286 1.00 0.00 O ATOM 493 CB ARG A 37 150.470 3.194 5.888 1.00 0.00 C ATOM 494 CG ARG A 37 150.333 1.721 6.234 1.00 0.00 C ATOM 495 CD ARG A 37 149.761 1.528 7.630 1.00 0.00 C ATOM 496 NE ARG A 37 150.620 2.110 8.658 1.00 0.00 N ATOM 497 CZ ARG A 37 150.211 2.390 9.894 1.00 0.00 C ATOM 498 NH1 ARG A 37 148.959 2.143 10.258 1.00 0.00 N ATOM 499 NH2 ARG A 37 151.057 2.917 10.769 1.00 0.00 N ATOM 0 H ARG A 37 148.356 3.340 4.103 1.00 0.00 H new ATOM 0 HA ARG A 37 148.775 3.962 6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 37 150.893 3.286 4.888 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.177 3.656 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.687 1.233 5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.308 1.239 6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 37 148.772 1.984 7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 37 149.632 0.463 7.825 1.00 0.00 H new ATOM 0 HE ARG A 37 151.589 2.314 8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 37 148.304 1.737 9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 37 148.651 2.360 11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 37 152.021 3.108 10.495 1.00 0.00 H new ATOM 0 HH22 ARG A 37 150.744 3.131 11.716 1.00 0.00 H new ATOM 513 N TRP A 38 149.794 5.590 4.263 1.00 0.00 N ATOM 514 CA TRP A 38 150.043 6.924 3.730 1.00 0.00 C ATOM 515 C TRP A 38 149.298 7.137 2.415 1.00 0.00 C ATOM 516 O TRP A 38 149.328 6.287 1.526 1.00 0.00 O ATOM 517 CB TRP A 38 151.546 7.142 3.521 1.00 0.00 C ATOM 518 CG TRP A 38 151.871 8.390 2.752 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.099 9.635 3.264 1.00 0.00 C ATOM 520 CD2 TRP A 38 151.999 8.511 1.330 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.360 10.523 2.248 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.305 9.856 1.051 1.00 0.00 C ATOM 523 CE3 TRP A 38 151.885 7.612 0.266 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.498 10.322 -0.248 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.078 8.075 -1.022 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.381 9.419 -1.270 1.00 0.00 C ATOM 0 H TRP A 38 149.974 4.832 3.605 1.00 0.00 H new ATOM 0 HA TRP A 38 149.674 7.650 4.455 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.037 7.186 4.493 1.00 0.00 H new ATOM 0 HB3 TRP A 38 151.960 6.282 2.994 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.077 9.886 4.314 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.562 11.516 2.365 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.650 6.574 0.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 152.732 11.359 -0.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 151.994 7.388 -1.851 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.525 9.750 -2.288 1.00 0.00 H new ATOM 537 N ILE A 39 148.639 8.285 2.299 1.00 0.00 N ATOM 538 CA ILE A 39 147.894 8.625 1.094 1.00 0.00 C ATOM 539 C ILE A 39 148.358 9.967 0.540 1.00 0.00 C ATOM 540 O ILE A 39 148.049 11.018 1.101 1.00 0.00 O ATOM 541 CB ILE A 39 146.379 8.686 1.364 1.00 0.00 C ATOM 542 CG1 ILE A 39 145.915 7.420 2.087 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.614 8.869 0.061 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.605 7.591 2.824 1.00 0.00 C ATOM 0 H ILE A 39 148.606 8.998 3.028 1.00 0.00 H new ATOM 0 HA ILE A 39 148.086 7.839 0.363 1.00 0.00 H new ATOM 0 HB ILE A 39 146.175 9.543 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 39 145.811 6.614 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.684 7.114 2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.545 8.910 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 39 145.926 9.797 -0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 39 145.822 8.031 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.338 6.654 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.709 8.375 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 39 143.823 7.867 2.117 1.00 0.00 H new ATOM 556 N GLY A 40 149.108 9.926 -0.555 1.00 0.00 N ATOM 557 CA GLY A 40 149.607 11.150 -1.153 1.00 0.00 C ATOM 558 C GLY A 40 150.146 10.941 -2.554 1.00 0.00 C ATOM 559 O GLY A 40 149.952 9.882 -3.152 1.00 0.00 O ATOM 0 H GLY A 40 149.379 9.070 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 40 148.805 11.888 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.395 11.562 -0.523 1.00 0.00 H new ATOM 563 N GLN A 41 150.820 11.958 -3.078 1.00 0.00 N ATOM 564 CA GLN A 41 151.389 11.894 -4.417 1.00 0.00 C ATOM 565 C GLN A 41 152.862 12.299 -4.398 1.00 0.00 C ATOM 566 O GLN A 41 153.193 13.443 -4.086 1.00 0.00 O ATOM 567 CB GLN A 41 150.606 12.808 -5.358 1.00 0.00 C ATOM 568 CG GLN A 41 149.100 12.628 -5.266 1.00 0.00 C ATOM 569 CD GLN A 41 148.352 13.944 -5.322 1.00 0.00 C ATOM 570 OE1 GLN A 41 147.717 14.213 -6.456 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 148.345 14.710 -4.359 1.00 0.00 N flip ATOM 0 H GLN A 41 150.986 12.840 -2.593 1.00 0.00 H new ATOM 0 HA GLN A 41 151.320 10.867 -4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 41 150.854 13.845 -5.133 1.00 0.00 H new ATOM 0 HB3 GLN A 41 150.924 12.619 -6.383 1.00 0.00 H new ATOM 0 HG2 GLN A 41 148.764 11.988 -6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 41 148.855 12.114 -4.336 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.847 14.462 -3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.837 15.593 -4.413 1.00 0.00 H new ATOM 580 N PRO A 42 153.773 11.365 -4.729 1.00 0.00 N ATOM 581 CA PRO A 42 155.214 11.639 -4.743 1.00 0.00 C ATOM 582 C PRO A 42 155.575 12.795 -5.670 1.00 0.00 C ATOM 583 O PRO A 42 154.809 13.143 -6.569 1.00 0.00 O ATOM 584 CB PRO A 42 155.827 10.332 -5.257 1.00 0.00 C ATOM 585 CG PRO A 42 154.804 9.291 -4.963 1.00 0.00 C ATOM 586 CD PRO A 42 153.476 9.973 -5.113 1.00 0.00 C ATOM 0 HA PRO A 42 155.578 11.936 -3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.039 10.388 -6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.770 10.113 -4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 42 154.892 8.450 -5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 42 154.928 8.893 -3.956 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.102 9.907 -6.135 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.719 9.529 -4.467 1.00 0.00 H new ATOM 594 N PRO A 43 156.753 13.407 -5.462 1.00 0.00 N ATOM 595 CA PRO A 43 157.213 14.530 -6.284 1.00 0.00 C ATOM 596 C PRO A 43 157.626 14.090 -7.683 1.00 0.00 C ATOM 597 O PRO A 43 158.795 13.796 -7.932 1.00 0.00 O ATOM 598 CB PRO A 43 158.423 15.058 -5.515 1.00 0.00 C ATOM 599 CG PRO A 43 158.933 13.883 -4.755 1.00 0.00 C ATOM 600 CD PRO A 43 157.726 13.053 -4.412 1.00 0.00 C ATOM 0 HA PRO A 43 156.429 15.272 -6.437 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.182 15.451 -6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.142 15.871 -4.845 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.643 13.311 -5.352 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.457 14.200 -3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 43 157.956 11.988 -4.421 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.347 13.289 -3.418 1.00 0.00 H new ATOM 608 N GLY A 44 156.661 14.046 -8.594 1.00 0.00 N ATOM 609 CA GLY A 44 156.948 13.641 -9.955 1.00 0.00 C ATOM 610 C GLY A 44 155.719 13.142 -10.686 1.00 0.00 C ATOM 611 O GLY A 44 155.429 13.581 -11.798 1.00 0.00 O ATOM 0 H GLY A 44 155.686 14.284 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.372 14.485 -10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 44 157.704 12.856 -9.945 1.00 0.00 H new ATOM 615 N LEU A 45 154.993 12.221 -10.061 1.00 0.00 N ATOM 616 CA LEU A 45 153.788 11.663 -10.664 1.00 0.00 C ATOM 617 C LEU A 45 152.574 11.905 -9.775 1.00 0.00 C ATOM 618 O LEU A 45 152.479 11.353 -8.678 1.00 0.00 O ATOM 619 CB LEU A 45 153.963 10.164 -10.912 1.00 0.00 C ATOM 620 CG LEU A 45 154.528 9.373 -9.731 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.196 7.893 -9.869 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.033 9.581 -9.623 1.00 0.00 C ATOM 0 H LEU A 45 155.217 11.846 -9.139 1.00 0.00 H new ATOM 0 HA LEU A 45 153.623 12.164 -11.618 1.00 0.00 H new ATOM 0 HB2 LEU A 45 152.996 9.741 -11.183 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.622 10.028 -11.769 1.00 0.00 H new ATOM 0 HG LEU A 45 154.065 9.741 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.606 7.347 -9.019 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.114 7.764 -9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.630 7.507 -10.792 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.419 9.011 -8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.514 9.241 -10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.244 10.640 -9.474 1.00 0.00 H new ATOM 634 N ASN A 46 151.645 12.727 -10.251 1.00 0.00 N ATOM 635 CA ASN A 46 150.441 13.026 -9.488 1.00 0.00 C ATOM 636 C ASN A 46 149.495 11.831 -9.497 1.00 0.00 C ATOM 637 O ASN A 46 148.874 11.524 -10.514 1.00 0.00 O ATOM 638 CB ASN A 46 149.739 14.255 -10.072 1.00 0.00 C ATOM 639 CG ASN A 46 148.563 14.706 -9.230 1.00 0.00 C ATOM 640 OD1 ASN A 46 148.686 15.612 -8.405 1.00 0.00 O ATOM 641 ND2 ASN A 46 147.412 14.076 -9.434 1.00 0.00 N ATOM 0 H ASN A 46 151.702 13.195 -11.156 1.00 0.00 H new ATOM 0 HA ASN A 46 150.727 13.237 -8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.455 15.072 -10.157 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.394 14.027 -11.080 1.00 0.00 H new ATOM 0 HD21 ASN A 46 146.585 14.337 -8.897 1.00 0.00 H new ATOM 0 HD22 ASN A 46 147.355 13.331 -10.128 1.00 0.00 H new ATOM 648 N GLU A 47 149.392 11.160 -8.355 1.00 0.00 N ATOM 649 CA GLU A 47 148.524 9.997 -8.225 1.00 0.00 C ATOM 650 C GLU A 47 148.343 9.616 -6.760 1.00 0.00 C ATOM 651 O GLU A 47 149.314 9.320 -6.062 1.00 0.00 O ATOM 652 CB GLU A 47 149.102 8.811 -9.002 1.00 0.00 C ATOM 653 CG GLU A 47 150.614 8.691 -8.904 1.00 0.00 C ATOM 654 CD GLU A 47 151.193 7.746 -9.937 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.247 8.126 -11.126 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.593 6.624 -9.558 1.00 0.00 O ATOM 0 H GLU A 47 149.900 11.403 -7.505 1.00 0.00 H new ATOM 0 HA GLU A 47 147.550 10.255 -8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.649 7.891 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 47 148.822 8.905 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.062 9.677 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 47 150.883 8.342 -7.907 1.00 0.00 H new ATOM 663 N VAL A 48 147.098 9.615 -6.297 1.00 0.00 N ATOM 664 CA VAL A 48 146.805 9.258 -4.915 1.00 0.00 C ATOM 665 C VAL A 48 147.146 7.796 -4.656 1.00 0.00 C ATOM 666 O VAL A 48 146.386 6.897 -5.018 1.00 0.00 O ATOM 667 CB VAL A 48 145.323 9.499 -4.571 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.083 9.313 -3.081 1.00 0.00 C ATOM 669 CG2 VAL A 48 144.890 10.887 -5.018 1.00 0.00 C ATOM 0 H VAL A 48 146.279 9.856 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 48 147.419 9.896 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 48 144.721 8.765 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.031 9.487 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.351 8.296 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.695 10.022 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 48 143.840 11.039 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.497 11.638 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.022 10.980 -6.096 1.00 0.00 H new ATOM 679 N LEU A 49 148.295 7.563 -4.031 1.00 0.00 N ATOM 680 CA LEU A 49 148.739 6.208 -3.730 1.00 0.00 C ATOM 681 C LEU A 49 148.632 5.922 -2.238 1.00 0.00 C ATOM 682 O LEU A 49 149.299 6.560 -1.424 1.00 0.00 O ATOM 683 CB LEU A 49 150.182 6.006 -4.198 1.00 0.00 C ATOM 684 CG LEU A 49 150.428 6.287 -5.680 1.00 0.00 C ATOM 685 CD1 LEU A 49 151.849 6.781 -5.902 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.158 5.040 -6.509 1.00 0.00 C ATOM 0 H LEU A 49 148.935 8.295 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 49 148.091 5.512 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 49 150.833 6.652 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.476 4.978 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 49 149.741 7.069 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.005 6.976 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.007 7.700 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.555 6.022 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.338 5.257 -7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.821 4.237 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.121 4.731 -6.374 1.00 0.00 H new ATOM 698 N ALA A 50 147.787 4.960 -1.886 1.00 0.00 N ATOM 699 CA ALA A 50 147.594 4.594 -0.491 1.00 0.00 C ATOM 700 C ALA A 50 148.531 3.460 -0.087 1.00 0.00 C ATOM 701 O ALA A 50 148.422 2.343 -0.593 1.00 0.00 O ATOM 702 CB ALA A 50 146.146 4.201 -0.243 1.00 0.00 C ATOM 0 H ALA A 50 147.227 4.422 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 50 147.832 5.462 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.017 3.930 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.495 5.041 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 50 145.887 3.350 -0.873 1.00 0.00 H new ATOM 708 N GLY A 51 149.450 3.755 0.827 1.00 0.00 N ATOM 709 CA GLY A 51 150.391 2.748 1.282 1.00 0.00 C ATOM 710 C GLY A 51 149.725 1.666 2.108 1.00 0.00 C ATOM 711 O GLY A 51 149.237 1.926 3.208 1.00 0.00 O ATOM 0 H GLY A 51 149.560 4.672 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 51 150.879 2.294 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.171 3.225 1.875 1.00 0.00 H new ATOM 715 N LEU A 52 149.706 0.446 1.578 1.00 0.00 N ATOM 716 CA LEU A 52 149.094 -0.678 2.275 1.00 0.00 C ATOM 717 C LEU A 52 150.156 -1.557 2.930 1.00 0.00 C ATOM 718 O LEU A 52 151.144 -1.930 2.298 1.00 0.00 O ATOM 719 CB LEU A 52 148.255 -1.510 1.303 1.00 0.00 C ATOM 720 CG LEU A 52 147.027 -0.797 0.733 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.656 -1.374 -0.623 1.00 0.00 C ATOM 722 CD2 LEU A 52 145.856 -0.901 1.699 1.00 0.00 C ATOM 0 H LEU A 52 150.107 0.212 0.670 1.00 0.00 H new ATOM 0 HA LEU A 52 148.446 -0.280 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.891 -1.824 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.926 -2.415 1.814 1.00 0.00 H new ATOM 0 HG LEU A 52 147.271 0.257 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.781 -0.854 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.490 -1.247 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.431 -2.435 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 52 144.991 -0.389 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.612 -1.951 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.125 -0.438 2.648 1.00 0.00 H new ATOM 734 N GLU A 53 149.943 -1.883 4.200 1.00 0.00 N ATOM 735 CA GLU A 53 150.879 -2.718 4.942 1.00 0.00 C ATOM 736 C GLU A 53 150.370 -4.152 5.040 1.00 0.00 C ATOM 737 O GLU A 53 149.391 -4.428 5.733 1.00 0.00 O ATOM 738 CB GLU A 53 151.104 -2.147 6.344 1.00 0.00 C ATOM 739 CG GLU A 53 152.097 -2.944 7.174 1.00 0.00 C ATOM 740 CD GLU A 53 151.658 -3.099 8.617 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.440 -3.234 8.856 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.533 -3.087 9.508 1.00 0.00 O ATOM 0 H GLU A 53 149.130 -1.581 4.737 1.00 0.00 H new ATOM 0 HA GLU A 53 151.827 -2.724 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.458 -1.120 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.150 -2.111 6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.227 -3.931 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.068 -2.450 7.145 1.00 0.00 H new ATOM 749 N LEU A 54 151.041 -5.061 4.341 1.00 0.00 N ATOM 750 CA LEU A 54 150.656 -6.467 4.348 1.00 0.00 C ATOM 751 C LEU A 54 150.899 -7.091 5.718 1.00 0.00 C ATOM 752 O LEU A 54 151.876 -6.768 6.394 1.00 0.00 O ATOM 753 CB LEU A 54 151.434 -7.236 3.279 1.00 0.00 C ATOM 754 CG LEU A 54 151.427 -6.598 1.888 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.665 -7.009 1.107 1.00 0.00 C ATOM 756 CD2 LEU A 54 150.165 -6.983 1.133 1.00 0.00 C ATOM 0 H LEU A 54 151.854 -4.849 3.763 1.00 0.00 H new ATOM 0 HA LEU A 54 149.591 -6.527 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.468 -7.341 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 54 151.020 -8.241 3.203 1.00 0.00 H new ATOM 0 HG LEU A 54 151.440 -5.514 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.643 -6.546 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.557 -6.683 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.683 -8.093 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 54 150.176 -6.521 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 54 150.122 -8.067 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.291 -6.638 1.685 1.00 0.00 H new ATOM 768 N GLU A 55 150.004 -7.986 6.123 1.00 0.00 N ATOM 769 CA GLU A 55 150.121 -8.655 7.413 1.00 0.00 C ATOM 770 C GLU A 55 151.205 -9.727 7.374 1.00 0.00 C ATOM 771 O GLU A 55 151.863 -9.996 8.379 1.00 0.00 O ATOM 772 CB GLU A 55 148.783 -9.281 7.810 1.00 0.00 C ATOM 773 CG GLU A 55 147.655 -8.271 7.941 1.00 0.00 C ATOM 774 CD GLU A 55 147.697 -7.519 9.258 1.00 0.00 C ATOM 775 OE1 GLU A 55 147.688 -8.177 10.318 1.00 0.00 O ATOM 776 OE2 GLU A 55 147.737 -6.271 9.226 1.00 0.00 O ATOM 0 H GLU A 55 149.189 -8.265 5.576 1.00 0.00 H new ATOM 0 HA GLU A 55 150.400 -7.909 8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.506 -10.028 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.903 -9.804 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.712 -7.559 7.118 1.00 0.00 H new ATOM 0 HG3 GLU A 55 146.699 -8.786 7.851 1.00 0.00 H new ATOM 783 N ASP A 56 151.387 -10.336 6.207 1.00 0.00 N ATOM 784 CA ASP A 56 152.392 -11.378 6.037 1.00 0.00 C ATOM 785 C ASP A 56 153.662 -10.814 5.410 1.00 0.00 C ATOM 786 O ASP A 56 153.605 -10.068 4.432 1.00 0.00 O ATOM 787 CB ASP A 56 151.840 -12.511 5.169 1.00 0.00 C ATOM 788 CG ASP A 56 152.436 -13.858 5.527 1.00 0.00 C ATOM 789 OD1 ASP A 56 152.044 -14.421 6.570 1.00 0.00 O ATOM 790 OD2 ASP A 56 153.294 -14.350 4.764 1.00 0.00 O ATOM 0 H ASP A 56 150.851 -10.126 5.365 1.00 0.00 H new ATOM 0 HA ASP A 56 152.640 -11.772 7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.757 -12.555 5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.044 -12.294 4.121 1.00 0.00 H new ATOM 795 N GLU A 57 154.808 -11.175 5.978 1.00 0.00 N ATOM 796 CA GLU A 57 156.092 -10.704 5.475 1.00 0.00 C ATOM 797 C GLU A 57 156.441 -11.384 4.155 1.00 0.00 C ATOM 798 O GLU A 57 156.953 -12.504 4.137 1.00 0.00 O ATOM 799 CB GLU A 57 157.194 -10.967 6.503 1.00 0.00 C ATOM 800 CG GLU A 57 156.991 -10.226 7.815 1.00 0.00 C ATOM 801 CD GLU A 57 157.319 -11.081 9.024 1.00 0.00 C ATOM 802 OE1 GLU A 57 156.742 -12.181 9.146 1.00 0.00 O ATOM 803 OE2 GLU A 57 158.151 -10.648 9.848 1.00 0.00 O ATOM 0 H GLU A 57 154.873 -11.793 6.787 1.00 0.00 H new ATOM 0 HA GLU A 57 156.014 -9.631 5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 57 157.244 -12.037 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 57 158.154 -10.677 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.617 -9.334 7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 57 155.956 -9.890 7.882 1.00 0.00 H new ATOM 810 N CYS A 58 156.161 -10.700 3.051 1.00 0.00 N ATOM 811 CA CYS A 58 156.444 -11.239 1.725 1.00 0.00 C ATOM 812 C CYS A 58 157.694 -10.595 1.132 1.00 0.00 C ATOM 813 O CYS A 58 157.820 -9.370 1.106 1.00 0.00 O ATOM 814 CB CYS A 58 155.251 -11.016 0.795 1.00 0.00 C ATOM 815 SG CYS A 58 154.052 -12.369 0.796 1.00 0.00 S ATOM 0 H CYS A 58 155.739 -9.772 3.048 1.00 0.00 H new ATOM 0 HA CYS A 58 156.621 -12.310 1.826 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.744 -10.096 1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.618 -10.871 -0.221 1.00 0.00 H new ATOM 0 HG CYS A 58 153.079 -12.087 -0.019 1.00 0.00 H new ATOM 821 N ALA A 59 158.615 -11.427 0.659 1.00 0.00 N ATOM 822 CA ALA A 59 159.854 -10.940 0.067 1.00 0.00 C ATOM 823 C ALA A 59 159.574 -10.076 -1.158 1.00 0.00 C ATOM 824 O ALA A 59 158.805 -10.461 -2.039 1.00 0.00 O ATOM 825 CB ALA A 59 160.757 -12.107 -0.303 1.00 0.00 C ATOM 0 H ALA A 59 158.526 -12.443 0.674 1.00 0.00 H new ATOM 0 HA ALA A 59 160.363 -10.322 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.679 -11.728 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.993 -12.683 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.247 -12.748 -1.022 1.00 0.00 H new ATOM 831 N GLY A 60 160.204 -8.906 -1.208 1.00 0.00 N ATOM 832 CA GLY A 60 160.010 -8.006 -2.329 1.00 0.00 C ATOM 833 C GLY A 60 159.225 -6.766 -1.949 1.00 0.00 C ATOM 834 O GLY A 60 158.535 -6.180 -2.783 1.00 0.00 O ATOM 0 H GLY A 60 160.845 -8.566 -0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 60 160.981 -7.710 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 60 159.487 -8.533 -3.127 1.00 0.00 H new ATOM 838 N CYS A 61 159.329 -6.366 -0.686 1.00 0.00 N ATOM 839 CA CYS A 61 158.623 -5.188 -0.197 1.00 0.00 C ATOM 840 C CYS A 61 159.522 -4.353 0.710 1.00 0.00 C ATOM 841 O CYS A 61 160.429 -4.877 1.354 1.00 0.00 O ATOM 842 CB CYS A 61 157.360 -5.602 0.561 1.00 0.00 C ATOM 843 SG CYS A 61 156.284 -6.726 -0.360 1.00 0.00 S ATOM 0 H CYS A 61 159.895 -6.840 0.017 1.00 0.00 H new ATOM 0 HA CYS A 61 158.340 -4.582 -1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.651 -6.079 1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.795 -4.707 0.821 1.00 0.00 H new ATOM 0 HG CYS A 61 156.564 -7.954 -0.040 1.00 0.00 H new ATOM 849 N THR A 62 159.263 -3.050 0.752 1.00 0.00 N ATOM 850 CA THR A 62 160.048 -2.141 1.580 1.00 0.00 C ATOM 851 C THR A 62 159.462 -2.040 2.984 1.00 0.00 C ATOM 852 O THR A 62 158.532 -2.766 3.333 1.00 0.00 O ATOM 853 CB THR A 62 160.105 -0.754 0.938 1.00 0.00 C ATOM 854 OG1 THR A 62 158.834 -0.131 0.977 1.00 0.00 O ATOM 855 CG2 THR A 62 160.560 -0.781 -0.506 1.00 0.00 C ATOM 0 H THR A 62 158.516 -2.600 0.223 1.00 0.00 H new ATOM 0 HA THR A 62 161.059 -2.541 1.656 1.00 0.00 H new ATOM 0 HB THR A 62 160.836 -0.195 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.735 0.459 0.201 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.578 0.235 -0.901 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.560 -1.211 -0.564 1.00 0.00 H new ATOM 0 HG23 THR A 62 159.870 -1.386 -1.094 1.00 0.00 H new ATOM 863 N ASP A 63 160.015 -1.136 3.787 1.00 0.00 N ATOM 864 CA ASP A 63 159.548 -0.940 5.154 1.00 0.00 C ATOM 865 C ASP A 63 158.836 0.401 5.299 1.00 0.00 C ATOM 866 O ASP A 63 158.879 1.026 6.359 1.00 0.00 O ATOM 867 CB ASP A 63 160.722 -1.016 6.132 1.00 0.00 C ATOM 868 CG ASP A 63 161.782 0.030 5.845 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.485 1.233 6.000 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.907 -0.355 5.466 1.00 0.00 O ATOM 0 H ASP A 63 160.787 -0.528 3.514 1.00 0.00 H new ATOM 0 HA ASP A 63 158.839 -1.734 5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.353 -0.886 7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.171 -2.008 6.080 1.00 0.00 H new ATOM 875 N GLY A 64 158.182 0.836 4.227 1.00 0.00 N ATOM 876 CA GLY A 64 157.471 2.101 4.255 1.00 0.00 C ATOM 877 C GLY A 64 158.195 3.190 3.488 1.00 0.00 C ATOM 878 O GLY A 64 158.313 4.319 3.964 1.00 0.00 O ATOM 0 H GLY A 64 158.132 0.335 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.475 1.964 3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.338 2.417 5.290 1.00 0.00 H new ATOM 882 N THR A 65 158.679 2.851 2.299 1.00 0.00 N ATOM 883 CA THR A 65 159.394 3.809 1.464 1.00 0.00 C ATOM 884 C THR A 65 159.012 3.644 -0.003 1.00 0.00 C ATOM 885 O THR A 65 159.220 2.584 -0.594 1.00 0.00 O ATOM 886 CB THR A 65 160.905 3.634 1.631 1.00 0.00 C ATOM 887 OG1 THR A 65 161.228 2.278 1.882 1.00 0.00 O ATOM 888 CG2 THR A 65 161.481 4.460 2.761 1.00 0.00 C ATOM 0 H THR A 65 158.589 1.920 1.891 1.00 0.00 H new ATOM 0 HA THR A 65 159.113 4.812 1.784 1.00 0.00 H new ATOM 0 HB THR A 65 161.341 3.976 0.693 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.198 2.186 1.984 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.556 4.290 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.292 5.517 2.572 1.00 0.00 H new ATOM 0 HG23 THR A 65 161.011 4.169 3.700 1.00 0.00 H new ATOM 896 N PHE A 66 158.451 4.700 -0.585 1.00 0.00 N ATOM 897 CA PHE A 66 158.039 4.672 -1.984 1.00 0.00 C ATOM 898 C PHE A 66 158.944 5.556 -2.835 1.00 0.00 C ATOM 899 O PHE A 66 159.022 6.768 -2.624 1.00 0.00 O ATOM 900 CB PHE A 66 156.587 5.130 -2.118 1.00 0.00 C ATOM 901 CG PHE A 66 155.983 4.831 -3.461 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.843 3.522 -3.894 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.558 5.857 -4.289 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.289 3.242 -5.129 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.003 5.583 -5.524 1.00 0.00 C ATOM 906 CZ PHE A 66 154.869 4.274 -5.945 1.00 0.00 C ATOM 0 H PHE A 66 158.272 5.585 -0.110 1.00 0.00 H new ATOM 0 HA PHE A 66 158.123 3.646 -2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 66 155.990 4.647 -1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.535 6.204 -1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.170 2.712 -3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.662 6.882 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.185 2.218 -5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.674 6.392 -6.160 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.436 4.058 -6.911 1.00 0.00 H new ATOM 916 N ARG A 67 159.627 4.944 -3.797 1.00 0.00 N ATOM 917 CA ARG A 67 160.527 5.677 -4.680 1.00 0.00 C ATOM 918 C ARG A 67 161.640 6.352 -3.884 1.00 0.00 C ATOM 919 O ARG A 67 162.121 7.422 -4.257 1.00 0.00 O ATOM 920 CB ARG A 67 159.750 6.723 -5.481 1.00 0.00 C ATOM 921 CG ARG A 67 158.753 6.124 -6.459 1.00 0.00 C ATOM 922 CD ARG A 67 159.346 5.998 -7.853 1.00 0.00 C ATOM 923 NE ARG A 67 160.017 4.715 -8.049 1.00 0.00 N ATOM 924 CZ ARG A 67 160.796 4.438 -9.092 1.00 0.00 C ATOM 925 NH1 ARG A 67 161.005 5.349 -10.034 1.00 0.00 N ATOM 926 NH2 ARG A 67 161.368 3.247 -9.193 1.00 0.00 N ATOM 0 H ARG A 67 159.574 3.943 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 67 160.979 4.964 -5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.219 7.377 -4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 67 160.456 7.346 -6.031 1.00 0.00 H new ATOM 0 HG2 ARG A 67 158.440 5.141 -6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 67 157.860 6.748 -6.497 1.00 0.00 H new ATOM 0 HD2 ARG A 67 158.555 6.110 -8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 67 160.057 6.808 -8.019 1.00 0.00 H new ATOM 0 HE ARG A 67 159.880 3.989 -7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 67 160.568 6.268 -9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 67 161.603 5.131 -10.831 1.00 0.00 H new ATOM 0 HH21 ARG A 67 161.211 2.543 -8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 67 161.965 3.034 -9.992 1.00 0.00 H new ATOM 940 N GLY A 68 162.043 5.720 -2.787 1.00 0.00 N ATOM 941 CA GLY A 68 163.095 6.274 -1.957 1.00 0.00 C ATOM 942 C GLY A 68 162.613 7.431 -1.105 1.00 0.00 C ATOM 943 O GLY A 68 163.389 8.322 -0.761 1.00 0.00 O ATOM 0 H GLY A 68 161.659 4.834 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.493 5.492 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 68 163.915 6.611 -2.592 1.00 0.00 H new ATOM 947 N THR A 69 161.329 7.417 -0.764 1.00 0.00 N ATOM 948 CA THR A 69 160.744 8.474 0.054 1.00 0.00 C ATOM 949 C THR A 69 159.926 7.886 1.199 1.00 0.00 C ATOM 950 O THR A 69 158.814 7.398 0.995 1.00 0.00 O ATOM 951 CB THR A 69 159.861 9.382 -0.805 1.00 0.00 C ATOM 952 OG1 THR A 69 160.594 9.906 -1.897 1.00 0.00 O ATOM 953 CG2 THR A 69 159.281 10.550 -0.039 1.00 0.00 C ATOM 0 H THR A 69 160.674 6.686 -1.041 1.00 0.00 H new ATOM 0 HA THR A 69 161.557 9.064 0.478 1.00 0.00 H new ATOM 0 HB THR A 69 159.042 8.749 -1.147 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.012 10.482 -2.435 1.00 0.00 H new ATOM 0 HG21 THR A 69 158.666 11.153 -0.706 1.00 0.00 H new ATOM 0 HG22 THR A 69 158.668 10.178 0.782 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.090 11.161 0.360 1.00 0.00 H new ATOM 961 N ARG A 70 160.483 7.936 2.404 1.00 0.00 N ATOM 962 CA ARG A 70 159.806 7.408 3.583 1.00 0.00 C ATOM 963 C ARG A 70 158.531 8.193 3.874 1.00 0.00 C ATOM 964 O ARG A 70 158.548 9.423 3.934 1.00 0.00 O ATOM 965 CB ARG A 70 160.736 7.455 4.796 1.00 0.00 C ATOM 966 CG ARG A 70 160.242 6.630 5.973 1.00 0.00 C ATOM 967 CD ARG A 70 160.624 7.265 7.300 1.00 0.00 C ATOM 968 NE ARG A 70 161.094 6.275 8.267 1.00 0.00 N ATOM 969 CZ ARG A 70 161.219 6.514 9.571 1.00 0.00 C ATOM 970 NH1 ARG A 70 160.912 7.705 10.068 1.00 0.00 N ATOM 971 NH2 ARG A 70 161.653 5.557 10.380 1.00 0.00 N ATOM 0 H ARG A 70 161.402 8.337 2.590 1.00 0.00 H new ATOM 0 HA ARG A 70 159.536 6.371 3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.723 7.098 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 70 160.854 8.491 5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.158 6.527 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.661 5.625 5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 70 161.404 8.009 7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 70 159.763 7.792 7.711 1.00 0.00 H new ATOM 0 HE ARG A 70 161.341 5.347 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 70 160.578 8.445 9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 70 161.010 7.881 11.068 1.00 0.00 H new ATOM 0 HH21 ARG A 70 161.891 4.639 10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 70 161.749 5.739 11.379 1.00 0.00 H new ATOM 985 N TYR A 71 157.428 7.475 4.055 1.00 0.00 N ATOM 986 CA TYR A 71 156.143 8.104 4.341 1.00 0.00 C ATOM 987 C TYR A 71 155.676 7.769 5.753 1.00 0.00 C ATOM 988 O TYR A 71 155.095 8.609 6.442 1.00 0.00 O ATOM 989 CB TYR A 71 155.094 7.653 3.323 1.00 0.00 C ATOM 990 CG TYR A 71 155.205 8.353 1.988 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.339 9.734 1.914 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.177 7.632 0.800 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.441 10.377 0.695 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.278 8.268 -0.423 1.00 0.00 C ATOM 995 CZ TYR A 71 155.411 9.640 -0.470 1.00 0.00 C ATOM 996 OH TYR A 71 155.512 10.275 -1.686 1.00 0.00 O ATOM 0 H TYR A 71 157.398 6.457 4.009 1.00 0.00 H new ATOM 0 HA TYR A 71 156.270 9.184 4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.188 6.578 3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.101 7.830 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.364 10.315 2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.075 6.557 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.544 11.451 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.253 7.694 -1.337 1.00 0.00 H new ATOM 0 HH TYR A 71 154.630 10.308 -2.112 1.00 0.00 H new ATOM 1006 N PHE A 72 155.934 6.537 6.179 1.00 0.00 N ATOM 1007 CA PHE A 72 155.539 6.091 7.510 1.00 0.00 C ATOM 1008 C PHE A 72 156.482 5.006 8.022 1.00 0.00 C ATOM 1009 O PHE A 72 157.345 4.523 7.289 1.00 0.00 O ATOM 1010 CB PHE A 72 154.103 5.567 7.490 1.00 0.00 C ATOM 1011 CG PHE A 72 153.868 4.498 6.462 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.547 4.833 5.156 1.00 0.00 C ATOM 1013 CD2 PHE A 72 153.968 3.158 6.801 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.330 3.851 4.208 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.754 2.172 5.857 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.434 2.519 4.558 1.00 0.00 C ATOM 0 H PHE A 72 156.415 5.830 5.622 1.00 0.00 H new ATOM 0 HA PHE A 72 155.597 6.945 8.184 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.855 5.173 8.475 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.424 6.398 7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.466 5.873 4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.216 2.881 7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.079 4.125 3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.837 1.131 6.134 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.266 1.750 3.818 1.00 0.00 H new ATOM 1026 N THR A 73 156.310 4.627 9.284 1.00 0.00 N ATOM 1027 CA THR A 73 157.144 3.598 9.894 1.00 0.00 C ATOM 1028 C THR A 73 156.363 2.300 10.076 1.00 0.00 C ATOM 1029 O THR A 73 155.378 2.255 10.814 1.00 0.00 O ATOM 1030 CB THR A 73 157.676 4.079 11.244 1.00 0.00 C ATOM 1031 OG1 THR A 73 158.557 3.122 11.805 1.00 0.00 O ATOM 1032 CG2 THR A 73 156.585 4.347 12.257 1.00 0.00 C ATOM 0 H THR A 73 155.600 5.017 9.904 1.00 0.00 H new ATOM 0 HA THR A 73 157.984 3.404 9.227 1.00 0.00 H new ATOM 0 HB THR A 73 158.192 5.016 11.034 1.00 0.00 H new ATOM 0 HG1 THR A 73 158.888 3.448 12.668 1.00 0.00 H new ATOM 0 HG21 THR A 73 157.032 4.685 13.192 1.00 0.00 H new ATOM 0 HG22 THR A 73 155.915 5.118 11.875 1.00 0.00 H new ATOM 0 HG23 THR A 73 156.021 3.432 12.435 1.00 0.00 H new ATOM 1040 N CYS A 74 156.808 1.248 9.397 1.00 0.00 N ATOM 1041 CA CYS A 74 156.151 -0.051 9.484 1.00 0.00 C ATOM 1042 C CYS A 74 157.172 -1.183 9.428 1.00 0.00 C ATOM 1043 O CYS A 74 158.352 -0.954 9.162 1.00 0.00 O ATOM 1044 CB CYS A 74 155.136 -0.209 8.350 1.00 0.00 C ATOM 1045 SG CYS A 74 153.487 0.420 8.742 1.00 0.00 S ATOM 0 H CYS A 74 157.620 1.269 8.781 1.00 0.00 H new ATOM 0 HA CYS A 74 155.630 -0.103 10.440 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.510 0.309 7.467 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.058 -1.265 8.091 1.00 0.00 H new ATOM 0 HG CYS A 74 153.164 1.350 7.893 1.00 0.00 H new ATOM 1051 N ALA A 75 156.710 -2.403 9.681 1.00 0.00 N ATOM 1052 CA ALA A 75 157.584 -3.569 9.660 1.00 0.00 C ATOM 1053 C ALA A 75 158.224 -3.751 8.288 1.00 0.00 C ATOM 1054 O ALA A 75 157.663 -3.341 7.273 1.00 0.00 O ATOM 1055 CB ALA A 75 156.806 -4.818 10.052 1.00 0.00 C ATOM 0 H ALA A 75 155.736 -2.609 9.903 1.00 0.00 H new ATOM 0 HA ALA A 75 158.382 -3.408 10.385 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.471 -5.682 10.032 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.401 -4.694 11.057 1.00 0.00 H new ATOM 0 HB3 ALA A 75 155.988 -4.973 9.348 1.00 0.00 H new ATOM 1061 N LEU A 76 159.400 -4.369 8.267 1.00 0.00 N ATOM 1062 CA LEU A 76 160.116 -4.605 7.019 1.00 0.00 C ATOM 1063 C LEU A 76 159.404 -5.656 6.173 1.00 0.00 C ATOM 1064 O LEU A 76 158.806 -6.592 6.703 1.00 0.00 O ATOM 1065 CB LEU A 76 161.551 -5.051 7.306 1.00 0.00 C ATOM 1066 CG LEU A 76 162.480 -3.949 7.822 1.00 0.00 C ATOM 1067 CD1 LEU A 76 162.577 -3.998 9.339 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.860 -4.078 7.193 1.00 0.00 C ATOM 0 H LEU A 76 159.877 -4.715 9.099 1.00 0.00 H new ATOM 0 HA LEU A 76 160.139 -3.669 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.525 -5.857 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.976 -5.466 6.392 1.00 0.00 H new ATOM 0 HG LEU A 76 162.061 -2.984 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 76 163.242 -3.207 9.687 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.587 -3.856 9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 76 162.972 -4.966 9.647 1.00 0.00 H new ATOM 0 HD21 LEU A 76 164.508 -3.287 7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 76 164.286 -5.048 7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 76 163.776 -3.991 6.110 1.00 0.00 H new ATOM 1080 N LYS A 77 159.475 -5.494 4.856 1.00 0.00 N ATOM 1081 CA LYS A 77 158.837 -6.429 3.936 1.00 0.00 C ATOM 1082 C LYS A 77 157.331 -6.480 4.169 1.00 0.00 C ATOM 1083 O LYS A 77 156.703 -7.527 4.009 1.00 0.00 O ATOM 1084 CB LYS A 77 159.437 -7.827 4.100 1.00 0.00 C ATOM 1085 CG LYS A 77 160.946 -7.866 3.923 1.00 0.00 C ATOM 1086 CD LYS A 77 161.343 -7.627 2.475 1.00 0.00 C ATOM 1087 CE LYS A 77 162.607 -6.788 2.375 1.00 0.00 C ATOM 1088 NZ LYS A 77 162.874 -6.352 0.977 1.00 0.00 N ATOM 0 H LYS A 77 159.967 -4.725 4.402 1.00 0.00 H new ATOM 0 HA LYS A 77 159.018 -6.080 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 77 159.186 -8.207 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.977 -8.498 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.408 -7.109 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.327 -8.833 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.500 -8.584 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.529 -7.125 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.513 -5.912 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.455 -7.364 2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 163.795 -5.870 0.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 162.888 -7.182 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 162.126 -5.698 0.668 1.00 0.00 H new ATOM 1102 N LYS A 78 156.757 -5.342 4.546 1.00 0.00 N ATOM 1103 CA LYS A 78 155.323 -5.258 4.800 1.00 0.00 C ATOM 1104 C LYS A 78 154.792 -3.866 4.468 1.00 0.00 C ATOM 1105 O LYS A 78 153.921 -3.341 5.162 1.00 0.00 O ATOM 1106 CB LYS A 78 155.023 -5.595 6.262 1.00 0.00 C ATOM 1107 CG LYS A 78 155.524 -6.966 6.685 1.00 0.00 C ATOM 1108 CD LYS A 78 155.150 -7.275 8.127 1.00 0.00 C ATOM 1109 CE LYS A 78 153.909 -8.149 8.207 1.00 0.00 C ATOM 1110 NZ LYS A 78 152.946 -7.653 9.229 1.00 0.00 N ATOM 0 H LYS A 78 157.262 -4.466 4.682 1.00 0.00 H new ATOM 0 HA LYS A 78 154.822 -5.981 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.477 -4.838 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.946 -5.545 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 78 155.103 -7.727 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.607 -7.010 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.982 -7.778 8.620 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.976 -6.344 8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.422 -8.178 7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.200 -9.171 8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.180 -8.346 9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.439 -7.521 10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.546 -6.745 8.917 1.00 0.00 H new ATOM 1124 N ALA A 79 155.321 -3.276 3.401 1.00 0.00 N ATOM 1125 CA ALA A 79 154.901 -1.947 2.977 1.00 0.00 C ATOM 1126 C ALA A 79 154.814 -1.858 1.457 1.00 0.00 C ATOM 1127 O ALA A 79 155.824 -1.679 0.777 1.00 0.00 O ATOM 1128 CB ALA A 79 155.856 -0.893 3.515 1.00 0.00 C ATOM 0 H ALA A 79 156.041 -3.698 2.815 1.00 0.00 H new ATOM 0 HA ALA A 79 153.907 -1.761 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.529 0.095 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.865 -0.932 4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.860 -1.085 3.137 1.00 0.00 H new ATOM 1134 N LEU A 80 153.601 -1.984 0.930 1.00 0.00 N ATOM 1135 CA LEU A 80 153.381 -1.919 -0.510 1.00 0.00 C ATOM 1136 C LEU A 80 152.458 -0.758 -0.866 1.00 0.00 C ATOM 1137 O LEU A 80 151.333 -0.672 -0.372 1.00 0.00 O ATOM 1138 CB LEU A 80 152.787 -3.233 -1.018 1.00 0.00 C ATOM 1139 CG LEU A 80 152.459 -3.263 -2.512 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.730 -3.149 -3.339 1.00 0.00 C ATOM 1141 CD2 LEU A 80 151.702 -4.534 -2.865 1.00 0.00 C ATOM 0 H LEU A 80 152.754 -2.132 1.479 1.00 0.00 H new ATOM 0 HA LEU A 80 154.345 -1.756 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 80 153.488 -4.039 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.876 -3.442 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 80 151.822 -2.409 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 80 153.478 -3.172 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 80 154.233 -2.210 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 80 154.392 -3.983 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 80 151.477 -4.539 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 80 152.314 -5.402 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 80 150.772 -4.573 -2.298 1.00 0.00 H new ATOM 1153 N PHE A 81 152.939 0.132 -1.728 1.00 0.00 N ATOM 1154 CA PHE A 81 152.156 1.287 -2.150 1.00 0.00 C ATOM 1155 C PHE A 81 151.387 0.985 -3.432 1.00 0.00 C ATOM 1156 O PHE A 81 151.895 0.312 -4.329 1.00 0.00 O ATOM 1157 CB PHE A 81 153.068 2.498 -2.364 1.00 0.00 C ATOM 1158 CG PHE A 81 153.656 3.037 -1.091 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.838 2.522 -0.585 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.026 4.061 -0.401 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.382 3.016 0.585 1.00 0.00 C ATOM 1162 CE2 PHE A 81 153.565 4.559 0.770 1.00 0.00 C ATOM 1163 CZ PHE A 81 154.744 4.036 1.263 1.00 0.00 C ATOM 0 H PHE A 81 153.867 0.075 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 81 151.439 1.514 -1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.877 2.219 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.501 3.288 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.341 1.724 -1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.104 4.474 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.304 2.605 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.065 5.357 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.167 4.424 2.178 1.00 0.00 H new ATOM 1173 N VAL A 82 150.158 1.486 -3.511 1.00 0.00 N ATOM 1174 CA VAL A 82 149.319 1.270 -4.683 1.00 0.00 C ATOM 1175 C VAL A 82 148.378 2.449 -4.910 1.00 0.00 C ATOM 1176 O VAL A 82 148.205 3.295 -4.033 1.00 0.00 O ATOM 1177 CB VAL A 82 148.486 -0.018 -4.549 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.382 -1.245 -4.630 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.696 -0.010 -3.249 1.00 0.00 C ATOM 0 H VAL A 82 149.722 2.044 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 82 149.989 1.173 -5.537 1.00 0.00 H new ATOM 0 HB VAL A 82 147.778 -0.059 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.775 -2.145 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.898 -1.256 -5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.116 -1.214 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.113 -0.928 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.384 0.056 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 82 147.024 0.848 -3.237 1.00 0.00 H new ATOM 1189 N LYS A 83 147.774 2.498 -6.092 1.00 0.00 N ATOM 1190 CA LYS A 83 146.851 3.573 -6.434 1.00 0.00 C ATOM 1191 C LYS A 83 145.578 3.488 -5.598 1.00 0.00 C ATOM 1192 O LYS A 83 144.863 2.486 -5.636 1.00 0.00 O ATOM 1193 CB LYS A 83 146.501 3.519 -7.922 1.00 0.00 C ATOM 1194 CG LYS A 83 147.710 3.631 -8.836 1.00 0.00 C ATOM 1195 CD LYS A 83 147.400 3.123 -10.234 1.00 0.00 C ATOM 1196 CE LYS A 83 148.095 3.959 -11.298 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.618 3.119 -12.410 1.00 0.00 N ATOM 0 H LYS A 83 147.907 1.806 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 83 147.343 4.521 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.983 2.583 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.806 4.326 -8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 83 148.032 4.671 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.539 3.061 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.716 2.084 -10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.323 3.144 -10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.396 4.694 -11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.917 4.514 -10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 149.084 3.726 -13.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 149.305 2.434 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 147.831 2.609 -12.860 1.00 0.00 H new ATOM 1211 N LEU A 84 145.303 4.546 -4.844 1.00 0.00 N ATOM 1212 CA LEU A 84 144.118 4.598 -3.998 1.00 0.00 C ATOM 1213 C LEU A 84 142.847 4.449 -4.831 1.00 0.00 C ATOM 1214 O LEU A 84 141.831 3.947 -4.347 1.00 0.00 O ATOM 1215 CB LEU A 84 144.082 5.914 -3.220 1.00 0.00 C ATOM 1216 CG LEU A 84 142.827 6.134 -2.372 1.00 0.00 C ATOM 1217 CD1 LEU A 84 142.903 5.324 -1.087 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.648 7.612 -2.060 1.00 0.00 C ATOM 0 H LEU A 84 145.887 5.381 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 84 144.167 3.768 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 84 144.954 5.956 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.173 6.739 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 84 141.962 5.795 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.002 5.493 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 84 142.985 4.264 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.776 5.634 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.751 7.750 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.516 7.975 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.549 8.171 -2.991 1.00 0.00 H new ATOM 1230 N LYS A 85 142.909 4.888 -6.084 1.00 0.00 N ATOM 1231 CA LYS A 85 141.764 4.804 -6.981 1.00 0.00 C ATOM 1232 C LYS A 85 141.386 3.349 -7.248 1.00 0.00 C ATOM 1233 O LYS A 85 140.226 3.039 -7.520 1.00 0.00 O ATOM 1234 CB LYS A 85 142.070 5.513 -8.301 1.00 0.00 C ATOM 1235 CG LYS A 85 143.200 4.870 -9.089 1.00 0.00 C ATOM 1236 CD LYS A 85 144.065 5.915 -9.778 1.00 0.00 C ATOM 1237 CE LYS A 85 143.422 6.411 -11.063 1.00 0.00 C ATOM 1238 NZ LYS A 85 142.575 7.613 -10.832 1.00 0.00 N ATOM 0 H LYS A 85 143.741 5.306 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 85 140.920 5.297 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 85 141.170 5.523 -8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 85 142.327 6.552 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.816 4.270 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.785 4.191 -9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 85 144.228 6.756 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 85 145.044 5.490 -10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 85 144.199 6.649 -11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 85 142.814 5.616 -11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 141.606 7.423 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 142.559 7.837 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 142.967 8.420 -11.358 1.00 0.00 H new ATOM 1252 N SER A 86 142.372 2.461 -7.169 1.00 0.00 N ATOM 1253 CA SER A 86 142.140 1.041 -7.401 1.00 0.00 C ATOM 1254 C SER A 86 142.076 0.279 -6.082 1.00 0.00 C ATOM 1255 O SER A 86 142.459 -0.889 -6.009 1.00 0.00 O ATOM 1256 CB SER A 86 143.244 0.460 -8.286 1.00 0.00 C ATOM 1257 OG SER A 86 143.251 1.075 -9.563 1.00 0.00 O ATOM 0 H SER A 86 143.338 2.700 -6.946 1.00 0.00 H new ATOM 0 HA SER A 86 141.182 0.933 -7.910 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.212 0.602 -7.805 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.098 -0.614 -8.397 1.00 0.00 H new ATOM 0 HG SER A 86 143.967 0.687 -10.109 1.00 0.00 H new ATOM 1263 N CYS A 87 141.591 0.947 -5.041 1.00 0.00 N ATOM 1264 CA CYS A 87 141.476 0.334 -3.724 1.00 0.00 C ATOM 1265 C CYS A 87 140.014 0.185 -3.316 1.00 0.00 C ATOM 1266 O CYS A 87 139.142 0.887 -3.829 1.00 0.00 O ATOM 1267 CB CYS A 87 142.225 1.168 -2.683 1.00 0.00 C ATOM 1268 SG CYS A 87 143.995 0.811 -2.585 1.00 0.00 S ATOM 0 H CYS A 87 141.271 1.914 -5.085 1.00 0.00 H new ATOM 0 HA CYS A 87 141.922 -0.659 -3.775 1.00 0.00 H new ATOM 0 HB2 CYS A 87 142.091 2.225 -2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.776 0.997 -1.705 1.00 0.00 H new ATOM 0 HG CYS A 87 144.605 1.358 -3.594 1.00 0.00 H new ATOM 1274 N ARG A 88 139.754 -0.733 -2.391 1.00 0.00 N ATOM 1275 CA ARG A 88 138.397 -0.975 -1.913 1.00 0.00 C ATOM 1276 C ARG A 88 138.388 -1.224 -0.407 1.00 0.00 C ATOM 1277 O ARG A 88 139.319 -1.819 0.136 1.00 0.00 O ATOM 1278 CB ARG A 88 137.782 -2.170 -2.644 1.00 0.00 C ATOM 1279 CG ARG A 88 137.419 -1.877 -4.091 1.00 0.00 C ATOM 1280 CD ARG A 88 136.061 -2.455 -4.455 1.00 0.00 C ATOM 1281 NE ARG A 88 135.481 -1.796 -5.623 1.00 0.00 N ATOM 1282 CZ ARG A 88 134.188 -1.848 -5.938 1.00 0.00 C ATOM 1283 NH1 ARG A 88 133.340 -2.527 -5.177 1.00 0.00 N ATOM 1284 NH2 ARG A 88 133.744 -1.218 -7.018 1.00 0.00 N ATOM 0 H ARG A 88 140.465 -1.322 -1.957 1.00 0.00 H new ATOM 0 HA ARG A 88 137.801 -0.086 -2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.484 -3.003 -2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 88 136.887 -2.490 -2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.412 -0.799 -4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 88 138.181 -2.294 -4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 88 136.163 -3.522 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.384 -2.352 -3.607 1.00 0.00 H new ATOM 0 HE ARG A 88 136.103 -1.265 -6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 88 133.677 -3.013 -4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 88 132.351 -2.563 -5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 88 134.393 -0.695 -7.606 1.00 0.00 H new ATOM 0 HH22 ARG A 88 132.754 -1.257 -7.260 1.00 0.00 H new ATOM 1298 N PRO A 89 137.332 -0.771 0.291 1.00 0.00 N ATOM 1299 CA PRO A 89 137.213 -0.952 1.738 1.00 0.00 C ATOM 1300 C PRO A 89 137.019 -2.414 2.122 1.00 0.00 C ATOM 1301 O PRO A 89 135.964 -2.997 1.875 1.00 0.00 O ATOM 1302 CB PRO A 89 135.976 -0.131 2.110 1.00 0.00 C ATOM 1303 CG PRO A 89 135.191 0.000 0.853 1.00 0.00 C ATOM 1304 CD PRO A 89 136.177 -0.054 -0.277 1.00 0.00 C ATOM 0 HA PRO A 89 138.116 -0.636 2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 89 135.394 -0.628 2.886 1.00 0.00 H new ATOM 0 HB3 PRO A 89 136.257 0.847 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.460 -0.804 0.768 1.00 0.00 H new ATOM 0 HG3 PRO A 89 134.637 0.938 0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.767 -0.579 -1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.454 0.945 -0.613 1.00 0.00 H new ATOM 1312 N ASP A 90 138.046 -3.002 2.728 1.00 0.00 N ATOM 1313 CA ASP A 90 137.991 -4.398 3.146 1.00 0.00 C ATOM 1314 C ASP A 90 136.953 -4.597 4.246 1.00 0.00 C ATOM 1315 O ASP A 90 136.925 -3.855 5.229 1.00 0.00 O ATOM 1316 CB ASP A 90 139.365 -4.859 3.636 1.00 0.00 C ATOM 1317 CG ASP A 90 139.557 -6.357 3.498 1.00 0.00 C ATOM 1318 OD1 ASP A 90 138.548 -7.070 3.315 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.715 -6.816 3.574 1.00 0.00 O ATOM 0 H ASP A 90 138.926 -2.533 2.940 1.00 0.00 H new ATOM 0 HA ASP A 90 137.699 -4.998 2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.141 -4.343 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.489 -4.575 4.681 1.00 0.00 H new ATOM 1324 N SER A 91 136.104 -5.605 4.075 1.00 0.00 N ATOM 1325 CA SER A 91 135.067 -5.904 5.055 1.00 0.00 C ATOM 1326 C SER A 91 135.483 -7.067 5.950 1.00 0.00 C ATOM 1327 O SER A 91 134.642 -7.823 6.432 1.00 0.00 O ATOM 1328 CB SER A 91 133.751 -6.236 4.348 1.00 0.00 C ATOM 1329 OG SER A 91 132.638 -5.866 5.143 1.00 0.00 O ATOM 0 H SER A 91 136.114 -6.228 3.267 1.00 0.00 H new ATOM 0 HA SER A 91 134.926 -5.022 5.679 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.707 -5.716 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.709 -7.304 4.133 1.00 0.00 H new ATOM 0 HG SER A 91 131.809 -6.087 4.669 1.00 0.00 H new ATOM 1335 N ARG A 92 136.788 -7.202 6.165 1.00 0.00 N ATOM 1336 CA ARG A 92 137.316 -8.274 7.002 1.00 0.00 C ATOM 1337 C ARG A 92 136.883 -8.095 8.454 1.00 0.00 C ATOM 1338 O ARG A 92 136.702 -9.071 9.181 1.00 0.00 O ATOM 1339 CB ARG A 92 138.843 -8.311 6.914 1.00 0.00 C ATOM 1340 CG ARG A 92 139.364 -8.969 5.645 1.00 0.00 C ATOM 1341 CD ARG A 92 139.907 -10.361 5.921 1.00 0.00 C ATOM 1342 NE ARG A 92 138.927 -11.208 6.599 1.00 0.00 N ATOM 1343 CZ ARG A 92 139.080 -12.516 6.786 1.00 0.00 C ATOM 1344 NH1 ARG A 92 140.171 -13.134 6.348 1.00 0.00 N ATOM 1345 NH2 ARG A 92 138.140 -13.211 7.412 1.00 0.00 N ATOM 0 H ARG A 92 137.498 -6.584 5.772 1.00 0.00 H new ATOM 0 HA ARG A 92 136.914 -9.219 6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.227 -7.292 6.969 1.00 0.00 H new ATOM 0 HB3 ARG A 92 139.236 -8.846 7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.562 -9.030 4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 92 140.149 -8.351 5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 92 140.201 -10.828 4.981 1.00 0.00 H new ATOM 0 HD3 ARG A 92 140.805 -10.285 6.534 1.00 0.00 H new ATOM 0 HE ARG A 92 138.075 -10.770 6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 92 140.897 -12.605 5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 92 140.282 -14.137 6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 92 137.299 -12.743 7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 92 138.258 -14.214 7.555 1.00 0.00 H new ATOM 1359 N PHE A 93 136.721 -6.843 8.869 1.00 0.00 N ATOM 1360 CA PHE A 93 136.309 -6.537 10.234 1.00 0.00 C ATOM 1361 C PHE A 93 135.024 -5.717 10.246 1.00 0.00 C ATOM 1362 O PHE A 93 134.798 -4.915 11.153 1.00 0.00 O ATOM 1363 CB PHE A 93 137.419 -5.780 10.965 1.00 0.00 C ATOM 1364 CG PHE A 93 138.691 -6.567 11.107 1.00 0.00 C ATOM 1365 CD1 PHE A 93 139.419 -6.937 9.987 1.00 0.00 C ATOM 1366 CD2 PHE A 93 139.159 -6.934 12.357 1.00 0.00 C ATOM 1367 CE1 PHE A 93 140.589 -7.662 10.113 1.00 0.00 C ATOM 1368 CE2 PHE A 93 140.328 -7.658 12.491 1.00 0.00 C ATOM 1369 CZ PHE A 93 141.045 -8.022 11.366 1.00 0.00 C ATOM 0 H PHE A 93 136.869 -6.024 8.280 1.00 0.00 H new ATOM 0 HA PHE A 93 136.120 -7.479 10.749 1.00 0.00 H new ATOM 0 HB2 PHE A 93 137.632 -4.856 10.428 1.00 0.00 H new ATOM 0 HB3 PHE A 93 137.063 -5.498 11.956 1.00 0.00 H new ATOM 0 HD1 PHE A 93 139.068 -6.656 9.005 1.00 0.00 H new ATOM 0 HD2 PHE A 93 138.603 -6.651 13.239 1.00 0.00 H new ATOM 0 HE1 PHE A 93 141.146 -7.947 9.233 1.00 0.00 H new ATOM 0 HE2 PHE A 93 140.681 -7.939 13.472 1.00 0.00 H new ATOM 0 HZ PHE A 93 141.960 -8.587 11.467 1.00 0.00 H new ATOM 1379 N ALA A 94 134.184 -5.920 9.236 1.00 0.00 N ATOM 1380 CA ALA A 94 132.923 -5.199 9.134 1.00 0.00 C ATOM 1381 C ALA A 94 131.753 -6.073 9.572 1.00 0.00 C ATOM 1382 O ALA A 94 131.540 -7.160 9.032 1.00 0.00 O ATOM 1383 CB ALA A 94 132.711 -4.704 7.711 1.00 0.00 C ATOM 0 H ALA A 94 134.355 -6.579 8.476 1.00 0.00 H new ATOM 0 HA ALA A 94 132.970 -4.339 9.803 1.00 0.00 H new ATOM 0 HB1 ALA A 94 131.764 -4.167 7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 94 133.526 -4.036 7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 94 132.690 -5.554 7.029 1.00 0.00 H new ATOM 1389 N SER A 95 130.997 -5.593 10.554 1.00 0.00 N ATOM 1390 CA SER A 95 129.848 -6.330 11.065 1.00 0.00 C ATOM 1391 C SER A 95 128.542 -5.657 10.654 1.00 0.00 C ATOM 1392 O SER A 95 128.403 -4.437 10.754 1.00 0.00 O ATOM 1393 CB SER A 95 129.923 -6.440 12.589 1.00 0.00 C ATOM 1394 OG SER A 95 129.179 -7.551 13.058 1.00 0.00 O ATOM 0 H SER A 95 131.160 -4.696 11.012 1.00 0.00 H new ATOM 0 HA SER A 95 129.869 -7.331 10.634 1.00 0.00 H new ATOM 0 HB2 SER A 95 130.963 -6.538 12.899 1.00 0.00 H new ATOM 0 HB3 SER A 95 129.541 -5.525 13.042 1.00 0.00 H new ATOM 0 HG SER A 95 129.245 -7.600 14.035 1.00 0.00 H new ATOM 1400 N LEU A 96 127.587 -6.458 10.194 1.00 0.00 N ATOM 1401 CA LEU A 96 126.294 -5.939 9.768 1.00 0.00 C ATOM 1402 C LEU A 96 125.251 -6.107 10.868 1.00 0.00 C ATOM 1403 O LEU A 96 124.066 -6.293 10.592 1.00 0.00 O ATOM 1404 CB LEU A 96 125.829 -6.650 8.496 1.00 0.00 C ATOM 1405 CG LEU A 96 126.512 -6.187 7.209 1.00 0.00 C ATOM 1406 CD1 LEU A 96 126.653 -7.345 6.233 1.00 0.00 C ATOM 1407 CD2 LEU A 96 125.735 -5.043 6.575 1.00 0.00 C ATOM 0 H LEU A 96 127.685 -7.470 10.107 1.00 0.00 H new ATOM 0 HA LEU A 96 126.409 -4.875 9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 96 125.998 -7.720 8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 96 124.754 -6.507 8.390 1.00 0.00 H new ATOM 0 HG LEU A 96 127.510 -5.827 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 96 127.141 -6.996 5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 96 127.253 -8.133 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 96 125.666 -7.737 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 96 126.236 -4.726 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 96 124.724 -5.376 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 96 125.687 -4.206 7.271 1.00 0.00 H new ATOM 1419 N GLN A 97 125.700 -6.037 12.116 1.00 0.00 N ATOM 1420 CA GLN A 97 124.806 -6.180 13.260 1.00 0.00 C ATOM 1421 C GLN A 97 125.447 -5.618 14.528 1.00 0.00 C ATOM 1422 O GLN A 97 125.540 -6.305 15.546 1.00 0.00 O ATOM 1423 CB GLN A 97 124.440 -7.652 13.466 1.00 0.00 C ATOM 1424 CG GLN A 97 123.317 -7.864 14.467 1.00 0.00 C ATOM 1425 CD GLN A 97 123.167 -9.317 14.876 1.00 0.00 C ATOM 1426 OE1 GLN A 97 122.698 -10.148 14.099 1.00 0.00 O ATOM 1427 NE2 GLN A 97 123.569 -9.630 16.103 1.00 0.00 N ATOM 0 H GLN A 97 126.678 -5.882 12.362 1.00 0.00 H new ATOM 0 HA GLN A 97 123.898 -5.613 13.054 1.00 0.00 H new ATOM 0 HB2 GLN A 97 124.148 -8.083 12.508 1.00 0.00 H new ATOM 0 HB3 GLN A 97 125.324 -8.194 13.803 1.00 0.00 H new ATOM 0 HG2 GLN A 97 123.506 -7.259 15.353 1.00 0.00 H new ATOM 0 HG3 GLN A 97 122.380 -7.513 14.036 1.00 0.00 H new ATOM 0 HE21 GLN A 97 123.952 -8.908 16.714 1.00 0.00 H new ATOM 0 HE22 GLN A 97 123.495 -10.592 16.434 1.00 0.00 H new ATOM 1436 N PRO A 98 125.900 -4.353 14.483 1.00 0.00 N ATOM 1437 CA PRO A 98 126.534 -3.700 15.632 1.00 0.00 C ATOM 1438 C PRO A 98 125.534 -3.370 16.735 1.00 0.00 C ATOM 1439 O PRO A 98 124.728 -2.449 16.600 1.00 0.00 O ATOM 1440 CB PRO A 98 127.113 -2.416 15.035 1.00 0.00 C ATOM 1441 CG PRO A 98 126.248 -2.125 13.858 1.00 0.00 C ATOM 1442 CD PRO A 98 125.829 -3.460 13.309 1.00 0.00 C ATOM 0 HA PRO A 98 127.279 -4.340 16.105 1.00 0.00 H new ATOM 0 HB2 PRO A 98 127.090 -1.598 15.756 1.00 0.00 H new ATOM 0 HB3 PRO A 98 128.153 -2.551 14.739 1.00 0.00 H new ATOM 0 HG2 PRO A 98 125.380 -1.533 14.149 1.00 0.00 H new ATOM 0 HG3 PRO A 98 126.790 -1.548 13.109 1.00 0.00 H new ATOM 0 HD2 PRO A 98 124.823 -3.425 12.892 1.00 0.00 H new ATOM 0 HD3 PRO A 98 126.493 -3.792 12.511 1.00 0.00 H new ATOM 1450 N SER A 99 125.590 -4.129 17.825 1.00 0.00 N ATOM 1451 CA SER A 99 124.688 -3.917 18.950 1.00 0.00 C ATOM 1452 C SER A 99 125.020 -4.862 20.100 1.00 0.00 C ATOM 1453 O SER A 99 124.804 -6.071 20.005 1.00 0.00 O ATOM 1454 CB SER A 99 123.236 -4.118 18.513 1.00 0.00 C ATOM 1455 OG SER A 99 122.378 -3.188 19.148 1.00 0.00 O ATOM 0 H SER A 99 126.250 -4.896 17.952 1.00 0.00 H new ATOM 0 HA SER A 99 124.817 -2.892 19.297 1.00 0.00 H new ATOM 0 HB2 SER A 99 123.160 -4.007 17.431 1.00 0.00 H new ATOM 0 HB3 SER A 99 122.918 -5.133 18.753 1.00 0.00 H new ATOM 0 HG SER A 99 121.456 -3.337 18.850 1.00 0.00 H new ATOM 1461 N GLY A 100 125.544 -4.304 21.186 1.00 0.00 N ATOM 1462 CA GLY A 100 125.896 -5.111 22.339 1.00 0.00 C ATOM 1463 C GLY A 100 125.496 -4.454 23.648 1.00 0.00 C ATOM 1464 O GLY A 100 124.378 -4.651 24.125 1.00 0.00 O ATOM 0 H GLY A 100 125.731 -3.307 21.288 1.00 0.00 H new ATOM 0 HA2 GLY A 100 125.410 -6.084 22.260 1.00 0.00 H new ATOM 0 HA3 GLY A 100 126.971 -5.290 22.339 1.00 0.00 H new ATOM 1468 N PRO A 101 126.396 -3.664 24.257 1.00 0.00 N ATOM 1469 CA PRO A 101 126.116 -2.980 25.524 1.00 0.00 C ATOM 1470 C PRO A 101 125.105 -1.850 25.358 1.00 0.00 C ATOM 1471 O PRO A 101 124.312 -1.575 26.259 1.00 0.00 O ATOM 1472 CB PRO A 101 127.479 -2.422 25.935 1.00 0.00 C ATOM 1473 CG PRO A 101 128.223 -2.260 24.656 1.00 0.00 C ATOM 1474 CD PRO A 101 127.753 -3.373 23.760 1.00 0.00 C ATOM 0 HA PRO A 101 125.676 -3.651 26.262 1.00 0.00 H new ATOM 0 HB2 PRO A 101 127.376 -1.470 26.456 1.00 0.00 H new ATOM 0 HB3 PRO A 101 127.997 -3.102 26.611 1.00 0.00 H new ATOM 0 HG2 PRO A 101 128.022 -1.287 24.208 1.00 0.00 H new ATOM 0 HG3 PRO A 101 129.299 -2.319 24.820 1.00 0.00 H new ATOM 0 HD2 PRO A 101 127.741 -3.068 22.714 1.00 0.00 H new ATOM 0 HD3 PRO A 101 128.402 -4.246 23.830 1.00 0.00 H new ATOM 1482 N SER A 102 125.139 -1.199 24.199 1.00 0.00 N ATOM 1483 CA SER A 102 124.225 -0.098 23.914 1.00 0.00 C ATOM 1484 C SER A 102 123.435 -0.365 22.637 1.00 0.00 C ATOM 1485 O SER A 102 124.012 -0.552 21.566 1.00 0.00 O ATOM 1486 CB SER A 102 125.000 1.213 23.781 1.00 0.00 C ATOM 1487 OG SER A 102 125.222 1.806 25.049 1.00 0.00 O ATOM 0 H SER A 102 125.789 -1.415 23.443 1.00 0.00 H new ATOM 0 HA SER A 102 123.524 -0.016 24.745 1.00 0.00 H new ATOM 0 HB2 SER A 102 125.956 1.026 23.291 1.00 0.00 H new ATOM 0 HB3 SER A 102 124.446 1.904 23.145 1.00 0.00 H new ATOM 0 HG SER A 102 125.721 2.642 24.936 1.00 0.00 H new ATOM 1493 N SER A 103 122.112 -0.385 22.759 1.00 0.00 N ATOM 1494 CA SER A 103 121.243 -0.631 21.614 1.00 0.00 C ATOM 1495 C SER A 103 119.920 0.115 21.765 1.00 0.00 C ATOM 1496 O SER A 103 119.107 -0.212 22.629 1.00 0.00 O ATOM 1497 CB SER A 103 120.982 -2.129 21.459 1.00 0.00 C ATOM 1498 OG SER A 103 120.388 -2.668 22.627 1.00 0.00 O ATOM 0 H SER A 103 121.618 -0.234 23.639 1.00 0.00 H new ATOM 0 HA SER A 103 121.747 -0.263 20.721 1.00 0.00 H new ATOM 0 HB2 SER A 103 120.329 -2.301 20.603 1.00 0.00 H new ATOM 0 HB3 SER A 103 121.920 -2.645 21.253 1.00 0.00 H new ATOM 0 HG SER A 103 119.765 -2.015 23.008 1.00 0.00 H new ATOM 1504 N GLY A 104 119.713 1.118 20.918 1.00 0.00 N ATOM 1505 CA GLY A 104 118.488 1.894 20.973 1.00 0.00 C ATOM 1506 C GLY A 104 117.863 2.089 19.605 1.00 0.00 C ATOM 1507 O GLY A 104 117.616 3.253 19.226 1.00 0.00 O ATOM 1508 OXT GLY A 104 117.621 1.078 18.914 1.00 0.00 O ATOM 0 H GLY A 104 120.372 1.407 20.195 1.00 0.00 H new ATOM 0 HA2 GLY A 104 117.774 1.394 21.627 1.00 0.00 H new ATOM 0 HA3 GLY A 104 118.698 2.868 21.415 1.00 0.00 H new TER 1512 GLY A 104