USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 691 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 27 MET CE :methyl -166:sc= -0.1 (180deg=-0.549) USER MOD Set 1.2: A 54 CYS SG : rot 120:sc= -1.8 USER MOD Set 2.1: A 1 MET CE :methyl -130:sc= 0 (180deg=0) USER MOD Set 2.2: A 4 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.824 (180deg=0.335) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.0607 F(o=-0.65,f=-0.061) USER MOD Single : A 5 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.39) USER MOD Single : A 6 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0.0462 K(o=0.046,f=-1.5) USER MOD Single : A 8 HIS : no HD1:sc= -0.0643 X(o=-0.064,f=-0.053) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -0.205 K(o=-0.21,f=-1.3) USER MOD Single : A 12 ASN : amide:sc= -0.0112 K(o=-0.011,f=-3.3!) USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= 1.16 (180deg=-0.0195) USER MOD Single : A 23 HIS :FLIP no HE2:sc= 0.143 F(o=-0.56,f=0.14) USER MOD Single : A 24 SER OG : rot -83:sc= 0.977 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.11) USER MOD Single : A 28 ASN : amide:sc= -0.982 K(o=-0.98,f=-4.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 34 ASN : amide:sc= -2.1! C(o=-2.1!,f=-5.2!) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0.794) USER MOD Single : A 42 MET CE :methyl 138:sc= -0.173 (180deg=-1.61) USER MOD Single : A 46 SER OG : rot 10:sc= 0.74 USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00778) USER MOD Single : A 55 THR OG1 : rot 76:sc= 1.1 USER MOD Single : A 59 MET CE :methyl 148:sc= -1.61 (180deg=-3.35!) USER MOD Single : A 60 TYR OH : rot -104:sc= 0.499 USER MOD Single : A 68 HIS :FLIP no HD1:sc=-0.00984 F(o=-0.59,f=-0.0098) USER MOD Single : A 70 THR OG1 : rot -42:sc= 0.944 USER MOD Single : A 71 GLN : amide:sc= -2.09! X(o=-2.1!,f=-1.6) USER MOD Single : A 76 MET CE :methyl -163:sc= -0.109 (180deg=-0.607) USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= 1.28 (180deg=0.869) USER MOD Single : A 82 MET CE :methyl -110:sc= -0.371 (180deg=-1.74) USER MOD Single : A 83 GLN : amide:sc= 0.445 X(o=0.45,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 177:sc= 0.986 (180deg=0.982) USER MOD Single : A 86 SER OG : rot 54:sc= 0.44 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.507 -32.856 2.037 1.00 44.41 N ATOM 2 CA MET A 1 8.872 -33.435 1.959 1.00 43.15 C ATOM 3 C MET A 1 9.943 -32.348 2.129 1.00 3.42 C ATOM 4 O MET A 1 11.042 -32.620 2.614 1.00 21.05 O ATOM 5 CB MET A 1 9.068 -34.168 0.622 1.00 12.14 C ATOM 6 CG MET A 1 9.228 -33.244 -0.578 1.00 14.21 C ATOM 7 SD MET A 1 7.936 -31.989 -0.671 1.00 22.43 S ATOM 8 CE MET A 1 8.462 -31.075 -2.122 1.00 51.41 C ATOM 0 H1 MET A 1 6.804 -33.622 2.021 1.00 44.41 H new ATOM 0 H2 MET A 1 7.410 -32.314 2.920 1.00 44.41 H new ATOM 0 H3 MET A 1 7.350 -32.225 1.225 1.00 44.41 H new ATOM 0 HA MET A 1 8.981 -34.151 2.774 1.00 43.15 H new ATOM 0 HB2 MET A 1 9.949 -34.806 0.696 1.00 12.14 H new ATOM 0 HB3 MET A 1 8.214 -34.823 0.451 1.00 12.14 H new ATOM 0 HG2 MET A 1 10.201 -32.755 -0.527 1.00 14.21 H new ATOM 0 HG3 MET A 1 9.218 -33.838 -1.492 1.00 14.21 H new ATOM 0 HE1 MET A 1 8.480 -30.009 -1.894 1.00 51.41 H new ATOM 0 HE2 MET A 1 9.460 -31.401 -2.415 1.00 51.41 H new ATOM 0 HE3 MET A 1 7.766 -31.259 -2.940 1.00 51.41 H new ATOM 20 N GLY A 2 9.613 -31.114 1.739 1.00 31.21 N ATOM 21 CA GLY A 2 10.562 -30.011 1.850 1.00 41.43 C ATOM 22 C GLY A 2 10.179 -28.804 0.997 1.00 60.51 C ATOM 23 O GLY A 2 9.004 -28.598 0.694 1.00 71.41 O ATOM 0 H GLY A 2 8.706 -30.858 1.348 1.00 31.21 H new ATOM 0 HA2 GLY A 2 10.632 -29.704 2.893 1.00 41.43 H new ATOM 0 HA3 GLY A 2 11.551 -30.359 1.553 1.00 41.43 H new ATOM 27 N HIS A 3 11.177 -28.007 0.615 1.00 23.24 N ATOM 28 CA HIS A 3 10.959 -26.800 -0.203 1.00 21.14 C ATOM 29 C HIS A 3 10.205 -27.102 -1.517 1.00 4.34 C ATOM 30 O HIS A 3 10.442 -28.125 -2.161 1.00 64.01 O ATOM 31 CB HIS A 3 12.304 -26.120 -0.506 1.00 12.23 C ATOM 32 CG HIS A 3 13.292 -26.981 -1.247 1.00 43.15 C ATOM 33 ND1 HIS A 3 13.354 -28.323 -1.436 1.00 43.33 N flip ATOM 34 CD2 HIS A 3 14.400 -26.464 -1.883 1.00 50.02 C flip ATOM 35 CE1 HIS A 3 14.486 -28.580 -2.169 1.00 41.41 C flip ATOM 36 NE2 HIS A 3 15.095 -27.441 -2.426 1.00 71.02 N flip ATOM 0 H HIS A 3 12.154 -28.172 0.858 1.00 23.24 H new ATOM 0 HA HIS A 3 10.329 -26.126 0.378 1.00 21.14 H new ATOM 0 HB2 HIS A 3 12.117 -25.220 -1.091 1.00 12.23 H new ATOM 0 HB3 HIS A 3 12.754 -25.801 0.434 1.00 12.23 H new ATOM 0 HD2 HIS A 3 14.659 -25.416 -1.929 1.00 50.02 H new ATOM 0 HE1 HIS A 3 14.822 -29.557 -2.484 1.00 41.41 H new ATOM 0 HE2 HIS A 3 15.960 -27.334 -2.956 1.00 71.02 H new ATOM 45 N HIS A 4 9.302 -26.199 -1.913 1.00 53.11 N ATOM 46 CA HIS A 4 8.498 -26.380 -3.131 1.00 53.44 C ATOM 47 C HIS A 4 8.898 -25.377 -4.231 1.00 55.43 C ATOM 48 O HIS A 4 8.637 -24.178 -4.123 1.00 20.22 O ATOM 49 CB HIS A 4 7.007 -26.232 -2.804 1.00 51.02 C ATOM 50 CG HIS A 4 6.525 -27.200 -1.766 1.00 13.30 C ATOM 51 ND1 HIS A 4 6.503 -26.907 -0.422 1.00 75.41 N ATOM 52 CD2 HIS A 4 6.047 -28.463 -1.876 1.00 72.10 C ATOM 53 CE1 HIS A 4 6.040 -27.938 0.248 1.00 10.52 C ATOM 54 NE2 HIS A 4 5.754 -28.896 -0.607 1.00 10.15 N ATOM 0 H HIS A 4 9.108 -25.334 -1.409 1.00 53.11 H new ATOM 0 HA HIS A 4 8.690 -27.384 -3.509 1.00 53.44 H new ATOM 0 HB2 HIS A 4 6.818 -25.216 -2.458 1.00 51.02 H new ATOM 0 HB3 HIS A 4 6.427 -26.371 -3.716 1.00 51.02 H new ATOM 0 HD2 HIS A 4 5.920 -29.024 -2.790 1.00 72.10 H new ATOM 0 HE1 HIS A 4 5.915 -27.990 1.320 1.00 10.52 H new ATOM 0 HE2 HIS A 4 5.376 -29.812 -0.366 1.00 10.15 H new ATOM 63 N HIS A 5 9.534 -25.887 -5.283 1.00 21.21 N ATOM 64 CA HIS A 5 9.965 -25.063 -6.424 1.00 33.25 C ATOM 65 C HIS A 5 8.784 -24.364 -7.125 1.00 12.20 C ATOM 66 O HIS A 5 7.771 -24.994 -7.430 1.00 54.20 O ATOM 67 CB HIS A 5 10.736 -25.928 -7.431 1.00 14.33 C ATOM 68 CG HIS A 5 10.089 -27.254 -7.718 1.00 42.55 C ATOM 69 ND1 HIS A 5 9.041 -27.420 -8.602 1.00 14.23 N ATOM 70 CD2 HIS A 5 10.352 -28.488 -7.224 1.00 3.00 C ATOM 71 CE1 HIS A 5 8.693 -28.691 -8.636 1.00 24.43 C ATOM 72 NE2 HIS A 5 9.471 -29.357 -7.812 1.00 51.30 N ATOM 0 H HIS A 5 9.767 -26.876 -5.375 1.00 21.21 H new ATOM 0 HA HIS A 5 10.615 -24.281 -6.032 1.00 33.25 H new ATOM 0 HB2 HIS A 5 10.839 -25.376 -8.365 1.00 14.33 H new ATOM 0 HB3 HIS A 5 11.743 -26.101 -7.050 1.00 14.33 H new ATOM 0 HD2 HIS A 5 11.114 -28.740 -6.501 1.00 3.00 H new ATOM 0 HE1 HIS A 5 7.903 -29.113 -9.239 1.00 24.43 H new ATOM 0 HE2 HIS A 5 9.426 -30.361 -7.638 1.00 51.30 H new ATOM 81 N HIS A 6 8.942 -23.061 -7.385 1.00 52.33 N ATOM 82 CA HIS A 6 7.915 -22.242 -8.052 1.00 2.43 C ATOM 83 C HIS A 6 6.677 -22.005 -7.168 1.00 45.13 C ATOM 84 O HIS A 6 5.583 -21.757 -7.678 1.00 11.31 O ATOM 85 CB HIS A 6 7.492 -22.850 -9.402 1.00 23.33 C ATOM 86 CG HIS A 6 8.507 -22.674 -10.494 1.00 13.53 C ATOM 87 ND1 HIS A 6 8.872 -23.686 -11.355 1.00 31.21 N ATOM 88 CD2 HIS A 6 9.211 -21.584 -10.884 1.00 72.12 C ATOM 89 CE1 HIS A 6 9.752 -23.229 -12.222 1.00 54.15 C ATOM 90 NE2 HIS A 6 9.975 -21.960 -11.959 1.00 51.02 N ATOM 0 H HIS A 6 9.785 -22.541 -7.140 1.00 52.33 H new ATOM 0 HA HIS A 6 8.379 -21.273 -8.235 1.00 2.43 H new ATOM 0 HB2 HIS A 6 7.300 -23.914 -9.266 1.00 23.33 H new ATOM 0 HB3 HIS A 6 6.553 -22.395 -9.716 1.00 23.33 H new ATOM 0 HD2 HIS A 6 9.177 -20.603 -10.433 1.00 72.12 H new ATOM 0 HE1 HIS A 6 10.212 -23.800 -13.015 1.00 54.15 H new ATOM 0 HE2 HIS A 6 10.614 -21.353 -12.472 1.00 51.02 H new ATOM 99 N HIS A 7 6.846 -22.049 -5.848 1.00 61.32 N ATOM 100 CA HIS A 7 5.746 -21.705 -4.941 1.00 61.52 C ATOM 101 C HIS A 7 5.594 -20.178 -4.827 1.00 24.30 C ATOM 102 O HIS A 7 6.081 -19.556 -3.881 1.00 63.02 O ATOM 103 CB HIS A 7 5.945 -22.328 -3.549 1.00 32.14 C ATOM 104 CG HIS A 7 4.828 -22.009 -2.593 1.00 33.41 C ATOM 105 ND1 HIS A 7 3.604 -22.639 -2.633 1.00 65.23 N ATOM 106 CD2 HIS A 7 4.743 -21.101 -1.589 1.00 73.25 C ATOM 107 CE1 HIS A 7 2.819 -22.135 -1.705 1.00 51.02 C ATOM 108 NE2 HIS A 7 3.482 -21.203 -1.056 1.00 12.34 N ATOM 0 H HIS A 7 7.716 -22.314 -5.386 1.00 61.32 H new ATOM 0 HA HIS A 7 4.831 -22.119 -5.364 1.00 61.52 H new ATOM 0 HB2 HIS A 7 6.030 -23.410 -3.651 1.00 32.14 H new ATOM 0 HB3 HIS A 7 6.886 -21.972 -3.130 1.00 32.14 H new ATOM 0 HD2 HIS A 7 5.522 -20.424 -1.269 1.00 73.25 H new ATOM 0 HE1 HIS A 7 1.801 -22.436 -1.509 1.00 51.02 H new ATOM 0 HE2 HIS A 7 3.118 -20.646 -0.282 1.00 12.34 H new ATOM 117 N HIS A 8 4.943 -19.577 -5.822 1.00 31.44 N ATOM 118 CA HIS A 8 4.643 -18.138 -5.803 1.00 71.12 C ATOM 119 C HIS A 8 3.159 -17.890 -5.498 1.00 0.32 C ATOM 120 O HIS A 8 2.758 -16.774 -5.169 1.00 72.13 O ATOM 121 CB HIS A 8 5.041 -17.477 -7.134 1.00 52.31 C ATOM 122 CG HIS A 8 4.492 -18.160 -8.350 1.00 54.31 C ATOM 123 ND1 HIS A 8 3.256 -17.871 -8.885 1.00 31.31 N ATOM 124 CD2 HIS A 8 5.022 -19.122 -9.142 1.00 43.25 C ATOM 125 CE1 HIS A 8 3.049 -18.621 -9.948 1.00 64.33 C ATOM 126 NE2 HIS A 8 4.103 -19.388 -10.128 1.00 52.23 N ATOM 0 H HIS A 8 4.611 -20.062 -6.655 1.00 31.44 H new ATOM 0 HA HIS A 8 5.233 -17.684 -5.007 1.00 71.12 H new ATOM 0 HB2 HIS A 8 4.700 -16.442 -7.128 1.00 52.31 H new ATOM 0 HB3 HIS A 8 6.129 -17.454 -7.204 1.00 52.31 H new ATOM 0 HD2 HIS A 8 5.987 -19.592 -9.021 1.00 43.25 H new ATOM 0 HE1 HIS A 8 2.164 -18.609 -10.567 1.00 64.33 H new ATOM 0 HE2 HIS A 8 4.219 -20.070 -10.878 1.00 52.23 H new ATOM 135 N SER A 9 2.348 -18.942 -5.617 1.00 44.12 N ATOM 136 CA SER A 9 0.928 -18.881 -5.244 1.00 14.23 C ATOM 137 C SER A 9 0.775 -18.906 -3.718 1.00 32.10 C ATOM 138 O SER A 9 1.047 -19.926 -3.083 1.00 23.01 O ATOM 139 CB SER A 9 0.159 -20.061 -5.859 1.00 45.44 C ATOM 140 OG SER A 9 -1.219 -20.023 -5.512 1.00 72.34 O ATOM 0 H SER A 9 2.648 -19.851 -5.970 1.00 44.12 H new ATOM 0 HA SER A 9 0.514 -17.949 -5.629 1.00 14.23 H new ATOM 0 HB2 SER A 9 0.263 -20.038 -6.944 1.00 45.44 H new ATOM 0 HB3 SER A 9 0.596 -20.999 -5.517 1.00 45.44 H new ATOM 0 HG SER A 9 -1.680 -20.786 -5.920 1.00 72.34 H new ATOM 146 N HIS A 10 0.349 -17.777 -3.144 1.00 2.22 N ATOM 147 CA HIS A 10 0.228 -17.619 -1.688 1.00 54.23 C ATOM 148 C HIS A 10 1.586 -17.752 -0.974 1.00 24.25 C ATOM 149 O HIS A 10 2.026 -18.859 -0.650 1.00 12.55 O ATOM 150 CB HIS A 10 -0.771 -18.627 -1.103 1.00 65.21 C ATOM 151 CG HIS A 10 -0.900 -18.541 0.391 1.00 60.10 C ATOM 152 ND1 HIS A 10 -0.037 -19.177 1.261 1.00 5.34 N ATOM 153 CD2 HIS A 10 -1.787 -17.876 1.170 1.00 2.42 C ATOM 154 CE1 HIS A 10 -0.387 -18.908 2.501 1.00 43.41 C ATOM 155 NE2 HIS A 10 -1.441 -18.123 2.474 1.00 0.14 N ATOM 0 H HIS A 10 0.078 -16.948 -3.672 1.00 2.22 H new ATOM 0 HA HIS A 10 -0.144 -16.609 -1.515 1.00 54.23 H new ATOM 0 HB2 HIS A 10 -1.749 -18.462 -1.555 1.00 65.21 H new ATOM 0 HB3 HIS A 10 -0.460 -19.635 -1.376 1.00 65.21 H new ATOM 0 HD1 HIS A 10 0.750 -19.764 0.985 1.00 5.34 H new ATOM 0 HD2 HIS A 10 -2.611 -17.267 0.829 1.00 2.42 H new ATOM 0 HE1 HIS A 10 0.108 -19.271 3.390 1.00 43.41 H new ATOM 164 N PRO A 11 2.277 -16.625 -0.730 1.00 74.22 N ATOM 165 CA PRO A 11 3.500 -16.611 0.077 1.00 74.42 C ATOM 166 C PRO A 11 3.198 -16.477 1.582 1.00 5.53 C ATOM 167 O PRO A 11 2.035 -16.511 1.995 1.00 3.44 O ATOM 168 CB PRO A 11 4.218 -15.367 -0.451 1.00 33.53 C ATOM 169 CG PRO A 11 3.112 -14.423 -0.803 1.00 14.24 C ATOM 170 CD PRO A 11 1.937 -15.277 -1.234 1.00 32.02 C ATOM 0 HA PRO A 11 4.080 -17.530 -0.007 1.00 74.42 H new ATOM 0 HB2 PRO A 11 4.880 -14.940 0.302 1.00 33.53 H new ATOM 0 HB3 PRO A 11 4.833 -15.601 -1.320 1.00 33.53 H new ATOM 0 HG2 PRO A 11 2.846 -13.801 0.052 1.00 14.24 H new ATOM 0 HG3 PRO A 11 3.417 -13.750 -1.604 1.00 14.24 H new ATOM 0 HD2 PRO A 11 1.002 -14.915 -0.808 1.00 32.02 H new ATOM 0 HD3 PRO A 11 1.816 -15.274 -2.317 1.00 32.02 H new ATOM 178 N ASN A 12 4.237 -16.333 2.405 1.00 43.10 N ATOM 179 CA ASN A 12 4.045 -16.096 3.840 1.00 0.34 C ATOM 180 C ASN A 12 3.737 -14.613 4.105 1.00 63.10 C ATOM 181 O ASN A 12 4.012 -13.754 3.266 1.00 55.22 O ATOM 182 CB ASN A 12 5.290 -16.528 4.631 1.00 22.34 C ATOM 183 CG ASN A 12 5.085 -16.425 6.134 1.00 53.53 C ATOM 184 OD1 ASN A 12 3.978 -16.605 6.638 1.00 60.11 O ATOM 185 ND2 ASN A 12 6.138 -16.122 6.865 1.00 64.35 N ATOM 0 H ASN A 12 5.212 -16.375 2.109 1.00 43.10 H new ATOM 0 HA ASN A 12 3.197 -16.694 4.174 1.00 0.34 H new ATOM 0 HB2 ASN A 12 5.544 -17.556 4.371 1.00 22.34 H new ATOM 0 HB3 ASN A 12 6.137 -15.907 4.339 1.00 22.34 H new ATOM 0 HD21 ASN A 12 6.047 -16.031 7.877 1.00 64.35 H new ATOM 0 HD22 ASN A 12 7.044 -15.978 6.419 1.00 64.35 H new ATOM 192 N GLU A 13 3.175 -14.318 5.274 1.00 73.43 N ATOM 193 CA GLU A 13 2.808 -12.942 5.633 1.00 0.14 C ATOM 194 C GLU A 13 3.998 -11.975 5.528 1.00 13.54 C ATOM 195 O GLU A 13 3.877 -10.897 4.949 1.00 25.12 O ATOM 196 CB GLU A 13 2.220 -12.891 7.044 1.00 22.54 C ATOM 197 CG GLU A 13 1.848 -11.482 7.492 1.00 30.21 C ATOM 198 CD GLU A 13 1.063 -11.479 8.787 1.00 50.11 C ATOM 199 OE1 GLU A 13 1.686 -11.557 9.867 1.00 13.23 O ATOM 200 OE2 GLU A 13 -0.179 -11.423 8.726 1.00 21.14 O ATOM 0 H GLU A 13 2.962 -15.010 5.992 1.00 73.43 H new ATOM 0 HA GLU A 13 2.055 -12.619 4.915 1.00 0.14 H new ATOM 0 HB2 GLU A 13 1.333 -13.523 7.084 1.00 22.54 H new ATOM 0 HB3 GLU A 13 2.941 -13.309 7.746 1.00 22.54 H new ATOM 0 HG2 GLU A 13 2.756 -10.892 7.619 1.00 30.21 H new ATOM 0 HG3 GLU A 13 1.260 -10.999 6.712 1.00 30.21 H new ATOM 207 N GLU A 14 5.141 -12.355 6.090 1.00 44.13 N ATOM 208 CA GLU A 14 6.349 -11.521 6.003 1.00 21.43 C ATOM 209 C GLU A 14 6.728 -11.292 4.527 1.00 74.24 C ATOM 210 O GLU A 14 7.143 -10.202 4.139 1.00 45.10 O ATOM 211 CB GLU A 14 7.508 -12.189 6.771 1.00 63.15 C ATOM 212 CG GLU A 14 8.604 -11.227 7.258 1.00 42.54 C ATOM 213 CD GLU A 14 9.440 -10.615 6.140 1.00 24.04 C ATOM 214 OE1 GLU A 14 10.167 -11.375 5.457 1.00 62.42 O ATOM 215 OE2 GLU A 14 9.399 -9.377 5.963 1.00 3.12 O ATOM 0 H GLU A 14 5.263 -13.226 6.607 1.00 44.13 H new ATOM 0 HA GLU A 14 6.149 -10.552 6.459 1.00 21.43 H new ATOM 0 HB2 GLU A 14 7.097 -12.715 7.633 1.00 63.15 H new ATOM 0 HB3 GLU A 14 7.965 -12.941 6.127 1.00 63.15 H new ATOM 0 HG2 GLU A 14 8.139 -10.424 7.830 1.00 42.54 H new ATOM 0 HG3 GLU A 14 9.265 -11.762 7.939 1.00 42.54 H new ATOM 222 N ALA A 15 6.536 -12.324 3.705 1.00 24.21 N ATOM 223 CA ALA A 15 6.859 -12.255 2.276 1.00 41.22 C ATOM 224 C ALA A 15 5.945 -11.273 1.523 1.00 55.04 C ATOM 225 O ALA A 15 6.425 -10.415 0.783 1.00 61.02 O ATOM 226 CB ALA A 15 6.781 -13.647 1.655 1.00 34.11 C ATOM 0 H ALA A 15 6.157 -13.222 4.004 1.00 24.21 H new ATOM 0 HA ALA A 15 7.877 -11.878 2.184 1.00 41.22 H new ATOM 0 HB1 ALA A 15 7.022 -13.586 0.594 1.00 34.11 H new ATOM 0 HB2 ALA A 15 7.492 -14.307 2.152 1.00 34.11 H new ATOM 0 HB3 ALA A 15 5.773 -14.043 1.776 1.00 34.11 H new ATOM 232 N ARG A 16 4.625 -11.396 1.712 1.00 72.31 N ATOM 233 CA ARG A 16 3.675 -10.459 1.089 1.00 50.05 C ATOM 234 C ARG A 16 3.915 -9.028 1.605 1.00 14.42 C ATOM 235 O ARG A 16 3.843 -8.061 0.849 1.00 52.00 O ATOM 236 CB ARG A 16 2.213 -10.881 1.356 1.00 42.43 C ATOM 237 CG ARG A 16 1.806 -10.836 2.829 1.00 3.55 C ATOM 238 CD ARG A 16 0.329 -11.170 3.045 1.00 11.03 C ATOM 239 NE ARG A 16 -0.029 -11.181 4.469 1.00 13.02 N ATOM 240 CZ ARG A 16 -1.235 -11.417 4.928 1.00 5.23 C ATOM 241 NH1 ARG A 16 -2.227 -11.610 4.119 1.00 51.22 N ATOM 242 NH2 ARG A 16 -1.452 -11.449 6.207 1.00 63.32 N ATOM 0 H ARG A 16 4.193 -12.123 2.282 1.00 72.31 H new ATOM 0 HA ARG A 16 3.843 -10.482 0.012 1.00 50.05 H new ATOM 0 HB2 ARG A 16 1.549 -10.230 0.787 1.00 42.43 H new ATOM 0 HB3 ARG A 16 2.065 -11.894 0.981 1.00 42.43 H new ATOM 0 HG2 ARG A 16 2.419 -11.539 3.393 1.00 3.55 H new ATOM 0 HG3 ARG A 16 2.012 -9.843 3.228 1.00 3.55 H new ATOM 0 HD2 ARG A 16 -0.288 -10.440 2.521 1.00 11.03 H new ATOM 0 HD3 ARG A 16 0.110 -12.144 2.608 1.00 11.03 H new ATOM 0 HE ARG A 16 0.710 -10.992 5.147 1.00 13.02 H new ATOM 0 HH11 ARG A 16 -2.076 -11.580 3.111 1.00 51.22 H new ATOM 0 HH12 ARG A 16 -3.159 -11.793 4.490 1.00 51.22 H new ATOM 0 HH21 ARG A 16 -0.684 -11.290 6.859 1.00 63.32 H new ATOM 0 HH22 ARG A 16 -2.391 -11.633 6.561 1.00 63.32 H new ATOM 256 N LEU A 17 4.228 -8.921 2.895 1.00 63.13 N ATOM 257 CA LEU A 17 4.463 -7.628 3.546 1.00 21.44 C ATOM 258 C LEU A 17 5.755 -6.954 3.048 1.00 3.11 C ATOM 259 O LEU A 17 5.785 -5.739 2.821 1.00 62.45 O ATOM 260 CB LEU A 17 4.512 -7.826 5.071 1.00 24.33 C ATOM 261 CG LEU A 17 4.977 -6.615 5.896 1.00 24.14 C ATOM 262 CD1 LEU A 17 4.147 -5.377 5.578 1.00 1.52 C ATOM 263 CD2 LEU A 17 4.929 -6.933 7.391 1.00 1.45 C ATOM 0 H LEU A 17 4.326 -9.722 3.518 1.00 63.13 H new ATOM 0 HA LEU A 17 3.639 -6.964 3.286 1.00 21.44 H new ATOM 0 HB2 LEU A 17 3.517 -8.112 5.412 1.00 24.33 H new ATOM 0 HB3 LEU A 17 5.175 -8.663 5.287 1.00 24.33 H new ATOM 0 HG LEU A 17 6.010 -6.399 5.623 1.00 24.14 H new ATOM 0 HD11 LEU A 17 4.501 -4.538 6.177 1.00 1.52 H new ATOM 0 HD12 LEU A 17 4.246 -5.134 4.520 1.00 1.52 H new ATOM 0 HD13 LEU A 17 3.100 -5.572 5.809 1.00 1.52 H new ATOM 0 HD21 LEU A 17 5.262 -6.064 7.959 1.00 1.45 H new ATOM 0 HD22 LEU A 17 3.908 -7.184 7.677 1.00 1.45 H new ATOM 0 HD23 LEU A 17 5.584 -7.778 7.604 1.00 1.45 H new ATOM 275 N ASP A 18 6.814 -7.738 2.874 1.00 4.55 N ATOM 276 CA ASP A 18 8.106 -7.200 2.445 1.00 13.12 C ATOM 277 C ASP A 18 7.985 -6.463 1.101 1.00 22.33 C ATOM 278 O ASP A 18 8.664 -5.461 0.863 1.00 51.52 O ATOM 279 CB ASP A 18 9.146 -8.322 2.356 1.00 60.11 C ATOM 280 CG ASP A 18 10.555 -7.796 2.139 1.00 22.14 C ATOM 281 OD1 ASP A 18 11.126 -7.202 3.079 1.00 12.03 O ATOM 282 OD2 ASP A 18 11.111 -7.992 1.038 1.00 72.34 O ATOM 0 H ASP A 18 6.806 -8.747 3.022 1.00 4.55 H new ATOM 0 HA ASP A 18 8.436 -6.476 3.190 1.00 13.12 H new ATOM 0 HB2 ASP A 18 9.119 -8.911 3.273 1.00 60.11 H new ATOM 0 HB3 ASP A 18 8.882 -8.993 1.538 1.00 60.11 H new ATOM 287 N ILE A 19 7.093 -6.946 0.240 1.00 4.25 N ATOM 288 CA ILE A 19 6.847 -6.310 -1.057 1.00 34.41 C ATOM 289 C ILE A 19 6.330 -4.866 -0.886 1.00 4.52 C ATOM 290 O ILE A 19 6.725 -3.961 -1.633 1.00 62.43 O ATOM 291 CB ILE A 19 5.843 -7.134 -1.903 1.00 64.14 C ATOM 292 CG1 ILE A 19 6.301 -8.601 -1.990 1.00 22.32 C ATOM 293 CG2 ILE A 19 5.695 -6.532 -3.303 1.00 13.12 C ATOM 294 CD1 ILE A 19 5.328 -9.510 -2.713 1.00 34.21 C ATOM 0 H ILE A 19 6.527 -7.776 0.415 1.00 4.25 H new ATOM 0 HA ILE A 19 7.801 -6.275 -1.584 1.00 34.41 H new ATOM 0 HB ILE A 19 4.869 -7.102 -1.415 1.00 64.14 H new ATOM 0 HG12 ILE A 19 7.265 -8.640 -2.498 1.00 22.32 H new ATOM 0 HG13 ILE A 19 6.457 -8.982 -0.981 1.00 22.32 H new ATOM 0 HG21 ILE A 19 4.986 -7.125 -3.881 1.00 13.12 H new ATOM 0 HG22 ILE A 19 5.330 -5.508 -3.222 1.00 13.12 H new ATOM 0 HG23 ILE A 19 6.663 -6.534 -3.804 1.00 13.12 H new ATOM 0 HD11 ILE A 19 5.724 -10.525 -2.731 1.00 34.21 H new ATOM 0 HD12 ILE A 19 4.370 -9.503 -2.194 1.00 34.21 H new ATOM 0 HD13 ILE A 19 5.190 -9.156 -3.735 1.00 34.21 H new ATOM 306 N LEU A 20 5.454 -4.645 0.106 1.00 74.43 N ATOM 307 CA LEU A 20 4.979 -3.287 0.416 1.00 72.15 C ATOM 308 C LEU A 20 6.146 -2.400 0.866 1.00 11.32 C ATOM 309 O LEU A 20 6.243 -1.238 0.466 1.00 23.42 O ATOM 310 CB LEU A 20 3.887 -3.279 1.506 1.00 2.11 C ATOM 311 CG LEU A 20 2.536 -3.908 1.116 1.00 54.43 C ATOM 312 CD1 LEU A 20 2.549 -5.419 1.325 1.00 14.40 C ATOM 313 CD2 LEU A 20 1.389 -3.260 1.893 1.00 64.13 C ATOM 0 H LEU A 20 5.065 -5.377 0.700 1.00 74.43 H new ATOM 0 HA LEU A 20 4.542 -2.893 -0.501 1.00 72.15 H new ATOM 0 HB2 LEU A 20 4.271 -3.805 2.380 1.00 2.11 H new ATOM 0 HB3 LEU A 20 3.711 -2.246 1.807 1.00 2.11 H new ATOM 0 HG LEU A 20 2.376 -3.721 0.054 1.00 54.43 H new ATOM 0 HD11 LEU A 20 1.582 -5.834 1.041 1.00 14.40 H new ATOM 0 HD12 LEU A 20 3.330 -5.865 0.709 1.00 14.40 H new ATOM 0 HD13 LEU A 20 2.744 -5.639 2.374 1.00 14.40 H new ATOM 0 HD21 LEU A 20 0.445 -3.721 1.601 1.00 64.13 H new ATOM 0 HD22 LEU A 20 1.547 -3.403 2.962 1.00 64.13 H new ATOM 0 HD23 LEU A 20 1.356 -2.193 1.671 1.00 64.13 H new ATOM 325 N LYS A 21 7.032 -2.958 1.696 1.00 35.05 N ATOM 326 CA LYS A 21 8.228 -2.240 2.158 1.00 30.45 C ATOM 327 C LYS A 21 9.043 -1.718 0.965 1.00 70.25 C ATOM 328 O LYS A 21 9.341 -0.529 0.869 1.00 74.22 O ATOM 329 CB LYS A 21 9.120 -3.161 3.008 1.00 25.21 C ATOM 330 CG LYS A 21 8.418 -3.809 4.199 1.00 11.50 C ATOM 331 CD LYS A 21 9.312 -4.860 4.856 1.00 73.21 C ATOM 332 CE LYS A 21 8.598 -5.634 5.957 1.00 44.11 C ATOM 333 NZ LYS A 21 9.422 -6.771 6.450 1.00 3.31 N ATOM 0 H LYS A 21 6.945 -3.906 2.063 1.00 35.05 H new ATOM 0 HA LYS A 21 7.894 -1.398 2.764 1.00 30.45 H new ATOM 0 HB2 LYS A 21 9.521 -3.947 2.368 1.00 25.21 H new ATOM 0 HB3 LYS A 21 9.969 -2.584 3.374 1.00 25.21 H new ATOM 0 HG2 LYS A 21 8.152 -3.045 4.929 1.00 11.50 H new ATOM 0 HG3 LYS A 21 7.488 -4.272 3.870 1.00 11.50 H new ATOM 0 HD2 LYS A 21 9.664 -5.558 4.096 1.00 73.21 H new ATOM 0 HD3 LYS A 21 10.193 -4.372 5.273 1.00 73.21 H new ATOM 0 HE2 LYS A 21 8.370 -4.963 6.785 1.00 44.11 H new ATOM 0 HE3 LYS A 21 7.647 -6.010 5.580 1.00 44.11 H new ATOM 0 HZ1 LYS A 21 9.240 -6.918 7.463 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 9.173 -7.633 5.925 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 10.430 -6.557 6.307 1.00 3.31 H new ATOM 347 N ILE A 22 9.386 -2.629 0.053 1.00 13.32 N ATOM 348 CA ILE A 22 10.215 -2.304 -1.117 1.00 33.14 C ATOM 349 C ILE A 22 9.669 -1.100 -1.907 1.00 35.34 C ATOM 350 O ILE A 22 10.381 -0.122 -2.138 1.00 33.04 O ATOM 351 CB ILE A 22 10.324 -3.520 -2.076 1.00 24.42 C ATOM 352 CG1 ILE A 22 10.886 -4.742 -1.336 1.00 11.31 C ATOM 353 CG2 ILE A 22 11.197 -3.179 -3.285 1.00 11.01 C ATOM 354 CD1 ILE A 22 10.930 -6.000 -2.177 1.00 3.22 C ATOM 0 H ILE A 22 9.101 -3.607 0.100 1.00 13.32 H new ATOM 0 HA ILE A 22 11.200 -2.046 -0.728 1.00 33.14 H new ATOM 0 HB ILE A 22 9.323 -3.763 -2.433 1.00 24.42 H new ATOM 0 HG12 ILE A 22 11.894 -4.513 -0.989 1.00 11.31 H new ATOM 0 HG13 ILE A 22 10.279 -4.929 -0.450 1.00 11.31 H new ATOM 0 HG21 ILE A 22 11.260 -4.045 -3.944 1.00 11.01 H new ATOM 0 HG22 ILE A 22 10.757 -2.342 -3.827 1.00 11.01 H new ATOM 0 HG23 ILE A 22 12.197 -2.907 -2.947 1.00 11.01 H new ATOM 0 HD11 ILE A 22 11.339 -6.819 -1.585 1.00 3.22 H new ATOM 0 HD12 ILE A 22 9.922 -6.255 -2.503 1.00 3.22 H new ATOM 0 HD13 ILE A 22 11.561 -5.832 -3.050 1.00 3.22 H new ATOM 366 N HIS A 23 8.399 -1.178 -2.308 1.00 51.54 N ATOM 367 CA HIS A 23 7.797 -0.151 -3.173 1.00 40.34 C ATOM 368 C HIS A 23 7.470 1.148 -2.413 1.00 55.21 C ATOM 369 O HIS A 23 7.622 2.244 -2.958 1.00 62.10 O ATOM 370 CB HIS A 23 6.544 -0.705 -3.857 1.00 42.03 C ATOM 371 CG HIS A 23 6.845 -1.798 -4.839 1.00 12.54 C ATOM 372 ND1 HIS A 23 6.923 -3.140 -4.676 1.00 24.42 N flip ATOM 373 CD2 HIS A 23 7.127 -1.564 -6.166 1.00 44.54 C flip ATOM 374 CE1 HIS A 23 7.249 -3.682 -5.895 1.00 61.31 C flip ATOM 375 NE2 HIS A 23 7.362 -2.707 -6.775 1.00 23.44 N flip ATOM 0 H HIS A 23 7.767 -1.936 -2.051 1.00 51.54 H new ATOM 0 HA HIS A 23 8.538 0.107 -3.930 1.00 40.34 H new ATOM 0 HB2 HIS A 23 5.861 -1.085 -3.098 1.00 42.03 H new ATOM 0 HB3 HIS A 23 6.029 0.106 -4.372 1.00 42.03 H new ATOM 0 HD1 HIS A 23 6.768 -3.653 -3.808 1.00 24.42 H new ATOM 0 HD2 HIS A 23 7.152 -0.592 -6.635 1.00 44.54 H new ATOM 0 HE1 HIS A 23 7.390 -4.733 -6.099 1.00 61.31 H new ATOM 384 N SER A 24 7.029 1.035 -1.162 1.00 31.22 N ATOM 385 CA SER A 24 6.734 2.223 -0.345 1.00 64.10 C ATOM 386 C SER A 24 7.994 3.078 -0.153 1.00 62.54 C ATOM 387 O SER A 24 7.951 4.305 -0.255 1.00 22.45 O ATOM 388 CB SER A 24 6.165 1.816 1.022 1.00 42.33 C ATOM 389 OG SER A 24 7.095 1.035 1.757 1.00 41.11 O ATOM 0 H SER A 24 6.867 0.145 -0.690 1.00 31.22 H new ATOM 0 HA SER A 24 5.986 2.815 -0.873 1.00 64.10 H new ATOM 0 HB2 SER A 24 5.907 2.709 1.591 1.00 42.33 H new ATOM 0 HB3 SER A 24 5.244 1.251 0.881 1.00 42.33 H new ATOM 0 HG SER A 24 7.039 0.101 1.467 1.00 41.11 H new ATOM 395 N ARG A 25 9.122 2.411 0.098 1.00 13.12 N ATOM 396 CA ARG A 25 10.427 3.079 0.249 1.00 35.22 C ATOM 397 C ARG A 25 10.831 3.879 -1.010 1.00 53.32 C ATOM 398 O ARG A 25 11.722 4.728 -0.954 1.00 10.31 O ATOM 399 CB ARG A 25 11.507 2.031 0.578 1.00 63.42 C ATOM 400 CG ARG A 25 11.386 1.437 1.982 1.00 75.52 C ATOM 401 CD ARG A 25 12.076 0.077 2.093 1.00 52.25 C ATOM 402 NE ARG A 25 13.482 0.117 1.694 1.00 12.32 N ATOM 403 CZ ARG A 25 14.173 -0.938 1.337 1.00 4.11 C ATOM 404 NH1 ARG A 25 13.634 -2.117 1.340 1.00 70.03 N ATOM 405 NH2 ARG A 25 15.409 -0.814 0.983 1.00 61.23 N ATOM 0 H ARG A 25 9.163 1.397 0.203 1.00 13.12 H new ATOM 0 HA ARG A 25 10.337 3.795 1.066 1.00 35.22 H new ATOM 0 HB2 ARG A 25 11.452 1.225 -0.153 1.00 63.42 H new ATOM 0 HB3 ARG A 25 12.490 2.491 0.472 1.00 63.42 H new ATOM 0 HG2 ARG A 25 11.824 2.125 2.705 1.00 75.52 H new ATOM 0 HG3 ARG A 25 10.332 1.331 2.241 1.00 75.52 H new ATOM 0 HD2 ARG A 25 12.006 -0.277 3.121 1.00 52.25 H new ATOM 0 HD3 ARG A 25 11.547 -0.645 1.470 1.00 52.25 H new ATOM 0 HE ARG A 25 13.954 1.021 1.693 1.00 12.32 H new ATOM 0 HH11 ARG A 25 12.661 -2.232 1.623 1.00 70.03 H new ATOM 0 HH12 ARG A 25 14.183 -2.930 1.060 1.00 70.03 H new ATOM 0 HH21 ARG A 25 15.849 0.106 0.981 1.00 61.23 H new ATOM 0 HH22 ARG A 25 15.945 -1.636 0.706 1.00 61.23 H new ATOM 419 N LYS A 26 10.185 3.606 -2.143 1.00 52.43 N ATOM 420 CA LYS A 26 10.479 4.321 -3.395 1.00 74.01 C ATOM 421 C LYS A 26 9.640 5.603 -3.537 1.00 52.12 C ATOM 422 O LYS A 26 9.932 6.457 -4.377 1.00 63.34 O ATOM 423 CB LYS A 26 10.241 3.406 -4.606 1.00 23.24 C ATOM 424 CG LYS A 26 11.159 2.187 -4.652 1.00 42.52 C ATOM 425 CD LYS A 26 12.626 2.587 -4.514 1.00 65.23 C ATOM 426 CE LYS A 26 13.569 1.410 -4.732 1.00 42.51 C ATOM 427 NZ LYS A 26 13.563 0.946 -6.144 1.00 3.35 N ATOM 0 H LYS A 26 9.456 2.898 -2.225 1.00 52.43 H new ATOM 0 HA LYS A 26 11.529 4.611 -3.360 1.00 74.01 H new ATOM 0 HB2 LYS A 26 9.205 3.068 -4.595 1.00 23.24 H new ATOM 0 HB3 LYS A 26 10.377 3.986 -5.519 1.00 23.24 H new ATOM 0 HG2 LYS A 26 10.892 1.498 -3.851 1.00 42.52 H new ATOM 0 HG3 LYS A 26 11.013 1.655 -5.592 1.00 42.52 H new ATOM 0 HD2 LYS A 26 12.856 3.372 -5.235 1.00 65.23 H new ATOM 0 HD3 LYS A 26 12.794 3.006 -3.522 1.00 65.23 H new ATOM 0 HE2 LYS A 26 14.581 1.699 -4.450 1.00 42.51 H new ATOM 0 HE3 LYS A 26 13.279 0.587 -4.079 1.00 42.51 H new ATOM 0 HZ1 LYS A 26 14.344 0.276 -6.293 1.00 3.35 H new ATOM 0 HZ2 LYS A 26 12.659 0.475 -6.351 1.00 3.35 H new ATOM 0 HZ3 LYS A 26 13.681 1.762 -6.778 1.00 3.35 H new ATOM 441 N MET A 27 8.594 5.729 -2.723 1.00 15.55 N ATOM 442 CA MET A 27 7.727 6.914 -2.745 1.00 31.44 C ATOM 443 C MET A 27 7.951 7.785 -1.498 1.00 64.30 C ATOM 444 O MET A 27 8.906 7.586 -0.747 1.00 72.23 O ATOM 445 CB MET A 27 6.251 6.490 -2.824 1.00 64.43 C ATOM 446 CG MET A 27 5.920 5.621 -4.033 1.00 3.45 C ATOM 447 SD MET A 27 4.151 5.286 -4.192 1.00 12.32 S ATOM 448 CE MET A 27 3.785 4.539 -2.606 1.00 72.33 C ATOM 0 H MET A 27 8.323 5.025 -2.037 1.00 15.55 H new ATOM 0 HA MET A 27 7.982 7.502 -3.627 1.00 31.44 H new ATOM 0 HB2 MET A 27 5.991 5.946 -1.916 1.00 64.43 H new ATOM 0 HB3 MET A 27 5.628 7.384 -2.850 1.00 64.43 H new ATOM 0 HG2 MET A 27 6.274 6.115 -4.938 1.00 3.45 H new ATOM 0 HG3 MET A 27 6.458 4.676 -3.954 1.00 3.45 H new ATOM 0 HE1 MET A 27 2.807 4.059 -2.647 1.00 72.33 H new ATOM 0 HE2 MET A 27 4.545 3.794 -2.370 1.00 72.33 H new ATOM 0 HE3 MET A 27 3.779 5.309 -1.834 1.00 72.33 H new ATOM 458 N ASN A 28 7.085 8.774 -1.297 1.00 54.13 N ATOM 459 CA ASN A 28 7.115 9.592 -0.082 1.00 10.12 C ATOM 460 C ASN A 28 6.170 8.986 0.971 1.00 40.44 C ATOM 461 O ASN A 28 5.006 8.720 0.681 1.00 14.44 O ATOM 462 CB ASN A 28 6.700 11.030 -0.409 1.00 13.44 C ATOM 463 CG ASN A 28 7.058 12.015 0.689 1.00 51.32 C ATOM 464 OD1 ASN A 28 7.214 11.650 1.848 1.00 2.43 O ATOM 465 ND2 ASN A 28 7.179 13.273 0.333 1.00 23.21 N ATOM 0 H ASN A 28 6.352 9.031 -1.958 1.00 54.13 H new ATOM 0 HA ASN A 28 8.128 9.607 0.319 1.00 10.12 H new ATOM 0 HB2 ASN A 28 7.181 11.339 -1.337 1.00 13.44 H new ATOM 0 HB3 ASN A 28 5.624 11.062 -0.581 1.00 13.44 H new ATOM 0 HD21 ASN A 28 7.410 13.981 1.031 1.00 23.21 H new ATOM 0 HD22 ASN A 28 7.042 13.543 -0.641 1.00 23.21 H new ATOM 472 N LEU A 29 6.669 8.764 2.187 1.00 63.01 N ATOM 473 CA LEU A 29 5.879 8.097 3.233 1.00 33.44 C ATOM 474 C LEU A 29 5.644 8.997 4.452 1.00 35.42 C ATOM 475 O LEU A 29 6.366 9.968 4.681 1.00 2.33 O ATOM 476 CB LEU A 29 6.580 6.807 3.685 1.00 52.45 C ATOM 477 CG LEU A 29 6.759 5.734 2.599 1.00 22.00 C ATOM 478 CD1 LEU A 29 7.489 4.518 3.163 1.00 74.51 C ATOM 479 CD2 LEU A 29 5.407 5.331 2.007 1.00 3.14 C ATOM 0 H LEU A 29 7.610 9.033 2.475 1.00 63.01 H new ATOM 0 HA LEU A 29 4.908 7.865 2.796 1.00 33.44 H new ATOM 0 HB2 LEU A 29 7.562 7.067 4.079 1.00 52.45 H new ATOM 0 HB3 LEU A 29 6.011 6.374 4.508 1.00 52.45 H new ATOM 0 HG LEU A 29 7.366 6.155 1.798 1.00 22.00 H new ATOM 0 HD11 LEU A 29 7.607 3.769 2.380 1.00 74.51 H new ATOM 0 HD12 LEU A 29 8.471 4.820 3.527 1.00 74.51 H new ATOM 0 HD13 LEU A 29 6.911 4.096 3.985 1.00 74.51 H new ATOM 0 HD21 LEU A 29 5.557 4.571 1.241 1.00 3.14 H new ATOM 0 HD22 LEU A 29 4.770 4.930 2.795 1.00 3.14 H new ATOM 0 HD23 LEU A 29 4.929 6.204 1.563 1.00 3.14 H new ATOM 491 N THR A 30 4.617 8.664 5.229 1.00 42.35 N ATOM 492 CA THR A 30 4.350 9.350 6.496 1.00 62.33 C ATOM 493 C THR A 30 5.236 8.796 7.621 1.00 34.12 C ATOM 494 O THR A 30 5.811 7.714 7.495 1.00 52.12 O ATOM 495 CB THR A 30 2.867 9.223 6.923 1.00 12.31 C ATOM 496 OG1 THR A 30 2.617 10.045 8.074 1.00 41.31 O ATOM 497 CG2 THR A 30 2.501 7.776 7.243 1.00 3.13 C ATOM 0 H THR A 30 3.953 7.922 5.006 1.00 42.35 H new ATOM 0 HA THR A 30 4.579 10.403 6.330 1.00 62.33 H new ATOM 0 HB THR A 30 2.250 9.556 6.089 1.00 12.31 H new ATOM 0 HG1 THR A 30 1.677 9.961 8.338 1.00 41.31 H new ATOM 0 HG21 THR A 30 1.453 7.723 7.539 1.00 3.13 H new ATOM 0 HG22 THR A 30 2.661 7.157 6.360 1.00 3.13 H new ATOM 0 HG23 THR A 30 3.127 7.414 8.058 1.00 3.13 H new ATOM 505 N ARG A 31 5.332 9.530 8.724 1.00 21.34 N ATOM 506 CA ARG A 31 6.167 9.119 9.858 1.00 64.41 C ATOM 507 C ARG A 31 5.317 8.449 10.950 1.00 31.12 C ATOM 508 O ARG A 31 4.471 9.088 11.577 1.00 42.24 O ATOM 509 CB ARG A 31 6.938 10.326 10.427 1.00 12.01 C ATOM 510 CG ARG A 31 7.941 10.940 9.442 1.00 74.31 C ATOM 511 CD ARG A 31 7.257 11.741 8.334 1.00 62.31 C ATOM 512 NE ARG A 31 8.147 12.002 7.205 1.00 65.41 N ATOM 513 CZ ARG A 31 7.961 12.951 6.326 1.00 63.24 C ATOM 514 NH1 ARG A 31 6.979 13.785 6.445 1.00 34.31 N ATOM 515 NH2 ARG A 31 8.766 13.068 5.324 1.00 23.10 N ATOM 0 H ARG A 31 4.843 10.415 8.862 1.00 21.34 H new ATOM 0 HA ARG A 31 6.892 8.387 9.501 1.00 64.41 H new ATOM 0 HB2 ARG A 31 6.224 11.092 10.729 1.00 12.01 H new ATOM 0 HB3 ARG A 31 7.470 10.015 11.326 1.00 12.01 H new ATOM 0 HG2 ARG A 31 8.627 11.590 9.985 1.00 74.31 H new ATOM 0 HG3 ARG A 31 8.540 10.146 8.996 1.00 74.31 H new ATOM 0 HD2 ARG A 31 6.380 11.196 7.984 1.00 62.31 H new ATOM 0 HD3 ARG A 31 6.902 12.688 8.740 1.00 62.31 H new ATOM 0 HE ARG A 31 8.967 11.405 7.096 1.00 65.41 H new ATOM 0 HH11 ARG A 31 6.337 13.707 7.233 1.00 34.31 H new ATOM 0 HH12 ARG A 31 6.847 14.520 5.750 1.00 34.31 H new ATOM 0 HH21 ARG A 31 9.547 12.420 5.219 1.00 23.10 H new ATOM 0 HH22 ARG A 31 8.622 13.808 4.637 1.00 23.10 H new ATOM 529 N GLY A 32 5.555 7.157 11.172 1.00 15.45 N ATOM 530 CA GLY A 32 4.735 6.381 12.098 1.00 32.34 C ATOM 531 C GLY A 32 3.673 5.551 11.376 1.00 21.11 C ATOM 532 O GLY A 32 2.484 5.620 11.695 1.00 73.41 O ATOM 0 H GLY A 32 6.305 6.629 10.726 1.00 15.45 H new ATOM 0 HA2 GLY A 32 5.376 5.719 12.681 1.00 32.34 H new ATOM 0 HA3 GLY A 32 4.249 7.056 12.803 1.00 32.34 H new ATOM 536 N ILE A 33 4.107 4.755 10.403 1.00 4.54 N ATOM 537 CA ILE A 33 3.191 3.973 9.564 1.00 63.13 C ATOM 538 C ILE A 33 3.362 2.456 9.791 1.00 73.34 C ATOM 539 O ILE A 33 4.483 1.943 9.841 1.00 52.43 O ATOM 540 CB ILE A 33 3.406 4.310 8.061 1.00 20.22 C ATOM 541 CG1 ILE A 33 2.376 3.578 7.184 1.00 33.14 C ATOM 542 CG2 ILE A 33 4.835 3.984 7.623 1.00 62.31 C ATOM 543 CD1 ILE A 33 2.538 3.836 5.698 1.00 51.20 C ATOM 0 H ILE A 33 5.093 4.631 10.172 1.00 4.54 H new ATOM 0 HA ILE A 33 2.175 4.245 9.852 1.00 63.13 H new ATOM 0 HB ILE A 33 3.257 5.382 7.931 1.00 20.22 H new ATOM 0 HG12 ILE A 33 2.454 2.506 7.367 1.00 33.14 H new ATOM 0 HG13 ILE A 33 1.374 3.881 7.488 1.00 33.14 H new ATOM 0 HG21 ILE A 33 4.957 4.229 6.568 1.00 62.31 H new ATOM 0 HG22 ILE A 33 5.539 4.568 8.215 1.00 62.31 H new ATOM 0 HG23 ILE A 33 5.028 2.922 7.773 1.00 62.31 H new ATOM 0 HD11 ILE A 33 1.775 3.285 5.148 1.00 51.20 H new ATOM 0 HD12 ILE A 33 2.429 4.902 5.500 1.00 51.20 H new ATOM 0 HD13 ILE A 33 3.526 3.506 5.377 1.00 51.20 H new ATOM 555 N ASN A 34 2.246 1.746 9.956 1.00 1.40 N ATOM 556 CA ASN A 34 2.271 0.285 10.108 1.00 65.50 C ATOM 557 C ASN A 34 1.867 -0.417 8.799 1.00 22.43 C ATOM 558 O ASN A 34 0.689 -0.457 8.435 1.00 15.31 O ATOM 559 CB ASN A 34 1.350 -0.145 11.260 1.00 20.13 C ATOM 560 CG ASN A 34 1.250 -1.654 11.416 1.00 63.15 C ATOM 561 OD1 ASN A 34 2.127 -2.399 10.996 1.00 75.33 O ATOM 562 ND2 ASN A 34 0.189 -2.117 12.046 1.00 72.14 N ATOM 0 H ASN A 34 1.312 2.155 9.988 1.00 1.40 H new ATOM 0 HA ASN A 34 3.292 -0.015 10.345 1.00 65.50 H new ATOM 0 HB2 ASN A 34 1.718 0.286 12.191 1.00 20.13 H new ATOM 0 HB3 ASN A 34 0.353 0.263 11.091 1.00 20.13 H new ATOM 0 HD21 ASN A 34 0.082 -3.120 12.195 1.00 72.14 H new ATOM 0 HD22 ASN A 34 -0.525 -1.472 12.385 1.00 72.14 H new ATOM 569 N LEU A 35 2.853 -0.970 8.097 1.00 21.25 N ATOM 570 CA LEU A 35 2.606 -1.647 6.821 1.00 24.11 C ATOM 571 C LEU A 35 1.972 -3.031 7.026 1.00 33.30 C ATOM 572 O LEU A 35 1.211 -3.502 6.178 1.00 52.15 O ATOM 573 CB LEU A 35 3.911 -1.774 6.017 1.00 44.41 C ATOM 574 CG LEU A 35 4.541 -0.444 5.565 1.00 35.22 C ATOM 575 CD1 LEU A 35 5.853 -0.691 4.823 1.00 74.55 C ATOM 576 CD2 LEU A 35 3.568 0.347 4.688 1.00 54.23 C ATOM 0 H LEU A 35 3.831 -0.964 8.388 1.00 21.25 H new ATOM 0 HA LEU A 35 1.899 -1.037 6.258 1.00 24.11 H new ATOM 0 HB2 LEU A 35 4.639 -2.314 6.622 1.00 44.41 H new ATOM 0 HB3 LEU A 35 3.716 -2.383 5.134 1.00 44.41 H new ATOM 0 HG LEU A 35 4.757 0.147 6.455 1.00 35.22 H new ATOM 0 HD11 LEU A 35 6.281 0.262 4.513 1.00 74.55 H new ATOM 0 HD12 LEU A 35 6.553 -1.205 5.482 1.00 74.55 H new ATOM 0 HD13 LEU A 35 5.663 -1.307 3.944 1.00 74.55 H new ATOM 0 HD21 LEU A 35 4.034 1.283 4.380 1.00 54.23 H new ATOM 0 HD22 LEU A 35 3.315 -0.240 3.805 1.00 54.23 H new ATOM 0 HD23 LEU A 35 2.661 0.562 5.253 1.00 54.23 H new ATOM 588 N ARG A 36 2.277 -3.682 8.153 1.00 50.44 N ATOM 589 CA ARG A 36 1.711 -5.005 8.444 1.00 41.42 C ATOM 590 C ARG A 36 0.175 -4.974 8.427 1.00 42.45 C ATOM 591 O ARG A 36 -0.459 -5.846 7.836 1.00 32.51 O ATOM 592 CB ARG A 36 2.195 -5.546 9.799 1.00 31.44 C ATOM 593 CG ARG A 36 1.492 -6.843 10.190 1.00 44.14 C ATOM 594 CD ARG A 36 1.854 -7.335 11.587 1.00 24.33 C ATOM 595 NE ARG A 36 0.839 -8.258 12.083 1.00 14.31 N ATOM 596 CZ ARG A 36 1.067 -9.464 12.519 1.00 52.31 C ATOM 597 NH1 ARG A 36 2.271 -9.940 12.577 1.00 13.21 N ATOM 598 NH2 ARG A 36 0.068 -10.202 12.881 1.00 74.50 N ATOM 0 H ARG A 36 2.905 -3.321 8.871 1.00 50.44 H new ATOM 0 HA ARG A 36 2.062 -5.672 7.657 1.00 41.42 H new ATOM 0 HB2 ARG A 36 3.271 -5.717 9.756 1.00 31.44 H new ATOM 0 HB3 ARG A 36 2.022 -4.795 10.570 1.00 31.44 H new ATOM 0 HG2 ARG A 36 0.414 -6.693 10.134 1.00 44.14 H new ATOM 0 HG3 ARG A 36 1.744 -7.616 9.465 1.00 44.14 H new ATOM 0 HD2 ARG A 36 2.825 -7.831 11.564 1.00 24.33 H new ATOM 0 HD3 ARG A 36 1.945 -6.487 12.265 1.00 24.33 H new ATOM 0 HE ARG A 36 -0.128 -7.933 12.089 1.00 14.31 H new ATOM 0 HH11 ARG A 36 3.061 -9.368 12.278 1.00 13.21 H new ATOM 0 HH12 ARG A 36 2.429 -10.887 12.922 1.00 13.21 H new ATOM 0 HH21 ARG A 36 -0.883 -9.837 12.823 1.00 74.50 H new ATOM 0 HH22 ARG A 36 0.231 -11.148 13.224 1.00 74.50 H new ATOM 612 N LYS A 37 -0.412 -3.960 9.070 1.00 44.43 N ATOM 613 CA LYS A 37 -1.875 -3.808 9.123 1.00 44.33 C ATOM 614 C LYS A 37 -2.483 -3.897 7.711 1.00 73.35 C ATOM 615 O LYS A 37 -3.549 -4.477 7.515 1.00 70.11 O ATOM 616 CB LYS A 37 -2.235 -2.462 9.793 1.00 52.22 C ATOM 617 CG LYS A 37 -3.680 -2.350 10.304 1.00 1.43 C ATOM 618 CD LYS A 37 -4.693 -2.130 9.179 1.00 34.23 C ATOM 619 CE LYS A 37 -4.571 -0.746 8.541 1.00 71.32 C ATOM 620 NZ LYS A 37 -4.989 0.349 9.460 1.00 31.35 N ATOM 0 H LYS A 37 0.102 -3.230 9.563 1.00 44.43 H new ATOM 0 HA LYS A 37 -2.294 -4.620 9.717 1.00 44.33 H new ATOM 0 HB2 LYS A 37 -1.557 -2.299 10.631 1.00 52.22 H new ATOM 0 HB3 LYS A 37 -2.057 -1.659 9.077 1.00 52.22 H new ATOM 0 HG2 LYS A 37 -3.939 -3.259 10.847 1.00 1.43 H new ATOM 0 HG3 LYS A 37 -3.747 -1.525 11.013 1.00 1.43 H new ATOM 0 HD2 LYS A 37 -4.552 -2.893 8.413 1.00 34.23 H new ATOM 0 HD3 LYS A 37 -5.701 -2.257 9.573 1.00 34.23 H new ATOM 0 HE2 LYS A 37 -3.538 -0.582 8.233 1.00 71.32 H new ATOM 0 HE3 LYS A 37 -5.182 -0.711 7.639 1.00 71.32 H new ATOM 0 HZ1 LYS A 37 -5.213 1.200 8.906 1.00 31.35 H new ATOM 0 HZ2 LYS A 37 -5.830 0.052 9.994 1.00 31.35 H new ATOM 0 HZ3 LYS A 37 -4.216 0.561 10.122 1.00 31.35 H new ATOM 634 N ILE A 38 -1.781 -3.331 6.731 1.00 41.12 N ATOM 635 CA ILE A 38 -2.230 -3.363 5.336 1.00 14.30 C ATOM 636 C ILE A 38 -2.136 -4.787 4.768 1.00 62.40 C ATOM 637 O ILE A 38 -3.078 -5.291 4.159 1.00 62.50 O ATOM 638 CB ILE A 38 -1.386 -2.409 4.449 1.00 75.54 C ATOM 639 CG1 ILE A 38 -1.311 -1.007 5.081 1.00 75.04 C ATOM 640 CG2 ILE A 38 -1.964 -2.339 3.035 1.00 13.45 C ATOM 641 CD1 ILE A 38 -2.660 -0.355 5.292 1.00 55.42 C ATOM 0 H ILE A 38 -0.897 -2.843 6.875 1.00 41.12 H new ATOM 0 HA ILE A 38 -3.268 -3.032 5.324 1.00 14.30 H new ATOM 0 HB ILE A 38 -0.373 -2.806 4.383 1.00 75.54 H new ATOM 0 HG12 ILE A 38 -0.799 -1.079 6.041 1.00 75.04 H new ATOM 0 HG13 ILE A 38 -0.704 -0.364 4.444 1.00 75.04 H new ATOM 0 HG21 ILE A 38 -1.359 -1.666 2.428 1.00 13.45 H new ATOM 0 HG22 ILE A 38 -1.957 -3.334 2.590 1.00 13.45 H new ATOM 0 HG23 ILE A 38 -2.988 -1.968 3.078 1.00 13.45 H new ATOM 0 HD11 ILE A 38 -2.522 0.629 5.741 1.00 55.42 H new ATOM 0 HD12 ILE A 38 -3.167 -0.249 4.333 1.00 55.42 H new ATOM 0 HD13 ILE A 38 -3.264 -0.975 5.955 1.00 55.42 H new ATOM 653 N ALA A 39 -0.990 -5.432 4.987 1.00 22.24 N ATOM 654 CA ALA A 39 -0.760 -6.801 4.513 1.00 32.44 C ATOM 655 C ALA A 39 -1.792 -7.790 5.081 1.00 11.10 C ATOM 656 O ALA A 39 -2.290 -8.661 4.365 1.00 21.24 O ATOM 657 CB ALA A 39 0.652 -7.250 4.872 1.00 31.33 C ATOM 0 H ALA A 39 -0.201 -5.028 5.492 1.00 22.24 H new ATOM 0 HA ALA A 39 -0.875 -6.796 3.429 1.00 32.44 H new ATOM 0 HB1 ALA A 39 0.812 -8.268 4.515 1.00 31.33 H new ATOM 0 HB2 ALA A 39 1.376 -6.583 4.403 1.00 31.33 H new ATOM 0 HB3 ALA A 39 0.779 -7.221 5.954 1.00 31.33 H new ATOM 663 N GLU A 40 -2.114 -7.644 6.366 1.00 14.14 N ATOM 664 CA GLU A 40 -3.095 -8.519 7.027 1.00 61.22 C ATOM 665 C GLU A 40 -4.490 -8.385 6.399 1.00 31.34 C ATOM 666 O GLU A 40 -5.331 -9.278 6.534 1.00 41.11 O ATOM 667 CB GLU A 40 -3.163 -8.220 8.535 1.00 43.41 C ATOM 668 CG GLU A 40 -1.858 -8.497 9.276 1.00 73.23 C ATOM 669 CD GLU A 40 -1.976 -8.312 10.785 1.00 14.11 C ATOM 670 OE1 GLU A 40 -1.787 -7.177 11.272 1.00 23.40 O ATOM 671 OE2 GLU A 40 -2.241 -9.303 11.498 1.00 15.53 O ATOM 0 H GLU A 40 -1.713 -6.930 6.974 1.00 14.14 H new ATOM 0 HA GLU A 40 -2.760 -9.546 6.884 1.00 61.22 H new ATOM 0 HB2 GLU A 40 -3.436 -7.174 8.677 1.00 43.41 H new ATOM 0 HB3 GLU A 40 -3.957 -8.820 8.980 1.00 43.41 H new ATOM 0 HG2 GLU A 40 -1.537 -9.517 9.065 1.00 73.23 H new ATOM 0 HG3 GLU A 40 -1.082 -7.833 8.894 1.00 73.23 H new ATOM 678 N LEU A 41 -4.731 -7.270 5.706 1.00 21.02 N ATOM 679 CA LEU A 41 -6.008 -7.042 5.014 1.00 53.24 C ATOM 680 C LEU A 41 -6.018 -7.668 3.608 1.00 2.33 C ATOM 681 O LEU A 41 -7.011 -7.569 2.887 1.00 62.22 O ATOM 682 CB LEU A 41 -6.297 -5.535 4.914 1.00 3.03 C ATOM 683 CG LEU A 41 -6.447 -4.797 6.255 1.00 23.33 C ATOM 684 CD1 LEU A 41 -6.689 -3.307 6.025 1.00 11.13 C ATOM 685 CD2 LEU A 41 -7.577 -5.406 7.086 1.00 20.31 C ATOM 0 H LEU A 41 -4.060 -6.508 5.607 1.00 21.02 H new ATOM 0 HA LEU A 41 -6.788 -7.526 5.602 1.00 53.24 H new ATOM 0 HB2 LEU A 41 -5.492 -5.065 4.349 1.00 3.03 H new ATOM 0 HB3 LEU A 41 -7.212 -5.396 4.339 1.00 3.03 H new ATOM 0 HG LEU A 41 -5.517 -4.911 6.812 1.00 23.33 H new ATOM 0 HD11 LEU A 41 -6.792 -2.803 6.986 1.00 11.13 H new ATOM 0 HD12 LEU A 41 -5.846 -2.881 5.481 1.00 11.13 H new ATOM 0 HD13 LEU A 41 -7.601 -3.172 5.444 1.00 11.13 H new ATOM 0 HD21 LEU A 41 -7.665 -4.868 8.030 1.00 20.31 H new ATOM 0 HD22 LEU A 41 -8.515 -5.329 6.536 1.00 20.31 H new ATOM 0 HD23 LEU A 41 -7.358 -6.455 7.285 1.00 20.31 H new ATOM 697 N MET A 42 -4.917 -8.319 3.220 1.00 14.51 N ATOM 698 CA MET A 42 -4.803 -8.937 1.890 1.00 11.51 C ATOM 699 C MET A 42 -4.595 -10.465 1.980 1.00 42.22 C ATOM 700 O MET A 42 -3.466 -10.958 1.866 1.00 12.41 O ATOM 701 CB MET A 42 -3.645 -8.297 1.109 1.00 72.51 C ATOM 702 CG MET A 42 -3.784 -6.790 0.921 1.00 23.00 C ATOM 703 SD MET A 42 -2.399 -6.072 0.013 1.00 72.53 S ATOM 704 CE MET A 42 -2.528 -6.933 -1.551 1.00 1.44 C ATOM 0 H MET A 42 -4.090 -8.433 3.806 1.00 14.51 H new ATOM 0 HA MET A 42 -5.741 -8.761 1.364 1.00 11.51 H new ATOM 0 HB2 MET A 42 -2.710 -8.503 1.630 1.00 72.51 H new ATOM 0 HB3 MET A 42 -3.575 -8.770 0.130 1.00 72.51 H new ATOM 0 HG2 MET A 42 -4.711 -6.578 0.389 1.00 23.00 H new ATOM 0 HG3 MET A 42 -3.860 -6.311 1.897 1.00 23.00 H new ATOM 0 HE1 MET A 42 -2.359 -6.231 -2.368 1.00 1.44 H new ATOM 0 HE2 MET A 42 -1.780 -7.725 -1.593 1.00 1.44 H new ATOM 0 HE3 MET A 42 -3.523 -7.368 -1.646 1.00 1.44 H new ATOM 714 N PRO A 43 -5.675 -11.240 2.204 1.00 74.52 N ATOM 715 CA PRO A 43 -5.598 -12.707 2.277 1.00 62.24 C ATOM 716 C PRO A 43 -5.603 -13.376 0.888 1.00 30.33 C ATOM 717 O PRO A 43 -6.470 -13.105 0.056 1.00 42.51 O ATOM 718 CB PRO A 43 -6.860 -13.067 3.066 1.00 40.23 C ATOM 719 CG PRO A 43 -7.849 -12.004 2.708 1.00 34.35 C ATOM 720 CD PRO A 43 -7.053 -10.750 2.422 1.00 23.11 C ATOM 0 HA PRO A 43 -4.672 -13.053 2.735 1.00 62.24 H new ATOM 0 HB2 PRO A 43 -7.227 -14.057 2.795 1.00 40.23 H new ATOM 0 HB3 PRO A 43 -6.666 -13.082 4.138 1.00 40.23 H new ATOM 0 HG2 PRO A 43 -8.435 -12.298 1.837 1.00 34.35 H new ATOM 0 HG3 PRO A 43 -8.552 -11.839 3.524 1.00 34.35 H new ATOM 0 HD2 PRO A 43 -7.434 -10.227 1.544 1.00 23.11 H new ATOM 0 HD3 PRO A 43 -7.100 -10.049 3.256 1.00 23.11 H new ATOM 728 N GLY A 44 -4.621 -14.248 0.647 1.00 34.41 N ATOM 729 CA GLY A 44 -4.528 -14.954 -0.633 1.00 21.13 C ATOM 730 C GLY A 44 -3.911 -14.123 -1.761 1.00 73.43 C ATOM 731 O GLY A 44 -3.765 -14.607 -2.886 1.00 2.05 O ATOM 0 H GLY A 44 -3.886 -14.481 1.314 1.00 34.41 H new ATOM 0 HA2 GLY A 44 -3.934 -15.858 -0.495 1.00 21.13 H new ATOM 0 HA3 GLY A 44 -5.526 -15.271 -0.934 1.00 21.13 H new ATOM 735 N ALA A 45 -3.543 -12.878 -1.466 1.00 70.11 N ATOM 736 CA ALA A 45 -2.963 -11.978 -2.474 1.00 12.24 C ATOM 737 C ALA A 45 -1.442 -12.177 -2.615 1.00 44.24 C ATOM 738 O ALA A 45 -0.777 -12.645 -1.689 1.00 73.12 O ATOM 739 CB ALA A 45 -3.279 -10.530 -2.118 1.00 74.51 C ATOM 0 H ALA A 45 -3.634 -12.465 -0.538 1.00 70.11 H new ATOM 0 HA ALA A 45 -3.412 -12.221 -3.437 1.00 12.24 H new ATOM 0 HB1 ALA A 45 -2.847 -9.868 -2.868 1.00 74.51 H new ATOM 0 HB2 ALA A 45 -4.360 -10.390 -2.090 1.00 74.51 H new ATOM 0 HB3 ALA A 45 -2.857 -10.295 -1.141 1.00 74.51 H new ATOM 745 N SER A 46 -0.897 -11.815 -3.778 1.00 41.35 N ATOM 746 CA SER A 46 0.546 -11.957 -4.042 1.00 23.14 C ATOM 747 C SER A 46 1.139 -10.700 -4.724 1.00 62.43 C ATOM 748 O SER A 46 0.494 -9.651 -4.773 1.00 63.13 O ATOM 749 CB SER A 46 0.811 -13.230 -4.872 1.00 23.24 C ATOM 750 OG SER A 46 -0.071 -13.339 -5.979 1.00 61.53 O ATOM 0 H SER A 46 -1.428 -11.421 -4.555 1.00 41.35 H new ATOM 0 HA SER A 46 1.055 -12.057 -3.083 1.00 23.14 H new ATOM 0 HB2 SER A 46 1.841 -13.222 -5.229 1.00 23.24 H new ATOM 0 HB3 SER A 46 0.702 -14.107 -4.234 1.00 23.24 H new ATOM 0 HG SER A 46 -0.568 -12.501 -6.085 1.00 61.53 H new ATOM 756 N GLY A 47 2.367 -10.825 -5.248 1.00 34.03 N ATOM 757 CA GLY A 47 3.164 -9.667 -5.683 1.00 34.35 C ATOM 758 C GLY A 47 2.439 -8.623 -6.539 1.00 1.23 C ATOM 759 O GLY A 47 2.460 -7.433 -6.212 1.00 61.44 O ATOM 0 H GLY A 47 2.833 -11.722 -5.382 1.00 34.03 H new ATOM 0 HA2 GLY A 47 3.555 -9.169 -4.796 1.00 34.35 H new ATOM 0 HA3 GLY A 47 4.021 -10.035 -6.246 1.00 34.35 H new ATOM 763 N ALA A 48 1.805 -9.050 -7.629 1.00 1.20 N ATOM 764 CA ALA A 48 1.156 -8.109 -8.554 1.00 43.35 C ATOM 765 C ALA A 48 0.039 -7.313 -7.867 1.00 11.10 C ATOM 766 O ALA A 48 -0.128 -6.113 -8.108 1.00 42.44 O ATOM 767 CB ALA A 48 0.615 -8.843 -9.775 1.00 73.44 C ATOM 0 H ALA A 48 1.724 -10.031 -7.896 1.00 1.20 H new ATOM 0 HA ALA A 48 1.914 -7.397 -8.880 1.00 43.35 H new ATOM 0 HB1 ALA A 48 0.139 -8.129 -10.447 1.00 73.44 H new ATOM 0 HB2 ALA A 48 1.435 -9.339 -10.294 1.00 73.44 H new ATOM 0 HB3 ALA A 48 -0.116 -9.587 -9.458 1.00 73.44 H new ATOM 773 N GLU A 49 -0.718 -7.983 -7.002 1.00 20.00 N ATOM 774 CA GLU A 49 -1.797 -7.332 -6.253 1.00 22.12 C ATOM 775 C GLU A 49 -1.224 -6.346 -5.223 1.00 63.23 C ATOM 776 O GLU A 49 -1.789 -5.275 -4.989 1.00 4.30 O ATOM 777 CB GLU A 49 -2.686 -8.376 -5.550 1.00 32.02 C ATOM 778 CG GLU A 49 -3.391 -9.349 -6.499 1.00 44.24 C ATOM 779 CD GLU A 49 -2.440 -10.349 -7.143 1.00 33.42 C ATOM 780 OE1 GLU A 49 -2.001 -11.283 -6.445 1.00 52.54 O ATOM 781 OE2 GLU A 49 -2.116 -10.198 -8.341 1.00 10.45 O ATOM 0 H GLU A 49 -0.607 -8.977 -6.800 1.00 20.00 H new ATOM 0 HA GLU A 49 -2.411 -6.778 -6.963 1.00 22.12 H new ATOM 0 HB2 GLU A 49 -2.073 -8.947 -4.853 1.00 32.02 H new ATOM 0 HB3 GLU A 49 -3.439 -7.855 -4.959 1.00 32.02 H new ATOM 0 HG2 GLU A 49 -4.160 -9.891 -5.949 1.00 44.24 H new ATOM 0 HG3 GLU A 49 -3.897 -8.782 -7.281 1.00 44.24 H new ATOM 788 N VAL A 50 -0.096 -6.713 -4.617 1.00 65.03 N ATOM 789 CA VAL A 50 0.594 -5.832 -3.671 1.00 1.45 C ATOM 790 C VAL A 50 1.086 -4.550 -4.364 1.00 20.13 C ATOM 791 O VAL A 50 0.866 -3.440 -3.872 1.00 32.33 O ATOM 792 CB VAL A 50 1.794 -6.547 -3.002 1.00 24.42 C ATOM 793 CG1 VAL A 50 2.554 -5.585 -2.092 1.00 74.14 C ATOM 794 CG2 VAL A 50 1.327 -7.780 -2.227 1.00 44.14 C ATOM 0 H VAL A 50 0.361 -7.613 -4.763 1.00 65.03 H new ATOM 0 HA VAL A 50 -0.130 -5.566 -2.901 1.00 1.45 H new ATOM 0 HB VAL A 50 2.474 -6.881 -3.786 1.00 24.42 H new ATOM 0 HG11 VAL A 50 3.393 -6.106 -1.631 1.00 74.14 H new ATOM 0 HG12 VAL A 50 2.926 -4.746 -2.680 1.00 74.14 H new ATOM 0 HG13 VAL A 50 1.886 -5.215 -1.314 1.00 74.14 H new ATOM 0 HG21 VAL A 50 2.186 -8.267 -1.765 1.00 44.14 H new ATOM 0 HG22 VAL A 50 0.622 -7.478 -1.453 1.00 44.14 H new ATOM 0 HG23 VAL A 50 0.840 -8.476 -2.910 1.00 44.14 H new ATOM 804 N LYS A 51 1.752 -4.704 -5.510 1.00 11.42 N ATOM 805 CA LYS A 51 2.186 -3.549 -6.303 1.00 32.02 C ATOM 806 C LYS A 51 0.976 -2.715 -6.751 1.00 42.31 C ATOM 807 O LYS A 51 1.052 -1.489 -6.853 1.00 72.11 O ATOM 808 CB LYS A 51 3.012 -3.995 -7.521 1.00 41.03 C ATOM 809 CG LYS A 51 3.450 -2.838 -8.420 1.00 62.23 C ATOM 810 CD LYS A 51 4.442 -3.280 -9.493 1.00 54.34 C ATOM 811 CE LYS A 51 3.884 -4.391 -10.379 1.00 71.42 C ATOM 812 NZ LYS A 51 2.702 -3.951 -11.170 1.00 71.44 N ATOM 0 H LYS A 51 2.002 -5.609 -5.909 1.00 11.42 H new ATOM 0 HA LYS A 51 2.821 -2.927 -5.672 1.00 32.02 H new ATOM 0 HB2 LYS A 51 3.896 -4.529 -7.174 1.00 41.03 H new ATOM 0 HB3 LYS A 51 2.424 -4.699 -8.110 1.00 41.03 H new ATOM 0 HG2 LYS A 51 2.573 -2.400 -8.897 1.00 62.23 H new ATOM 0 HG3 LYS A 51 3.903 -2.058 -7.809 1.00 62.23 H new ATOM 0 HD2 LYS A 51 4.708 -2.424 -10.113 1.00 54.34 H new ATOM 0 HD3 LYS A 51 5.359 -3.625 -9.016 1.00 54.34 H new ATOM 0 HE2 LYS A 51 4.664 -4.735 -11.058 1.00 71.42 H new ATOM 0 HE3 LYS A 51 3.605 -5.241 -9.757 1.00 71.42 H new ATOM 0 HZ1 LYS A 51 2.393 -4.725 -11.792 1.00 71.44 H new ATOM 0 HZ2 LYS A 51 1.928 -3.695 -10.524 1.00 71.44 H new ATOM 0 HZ3 LYS A 51 2.959 -3.125 -11.747 1.00 71.44 H new ATOM 826 N GLY A 52 -0.141 -3.398 -7.005 1.00 65.34 N ATOM 827 CA GLY A 52 -1.391 -2.717 -7.311 1.00 72.11 C ATOM 828 C GLY A 52 -1.823 -1.778 -6.188 1.00 41.34 C ATOM 829 O GLY A 52 -2.057 -0.596 -6.417 1.00 21.22 O ATOM 0 H GLY A 52 -0.202 -4.416 -7.004 1.00 65.34 H new ATOM 0 HA2 GLY A 52 -1.277 -2.149 -8.234 1.00 72.11 H new ATOM 0 HA3 GLY A 52 -2.173 -3.456 -7.486 1.00 72.11 H new ATOM 833 N VAL A 53 -1.895 -2.305 -4.962 1.00 32.44 N ATOM 834 CA VAL A 53 -2.246 -1.502 -3.782 1.00 4.14 C ATOM 835 C VAL A 53 -1.280 -0.319 -3.595 1.00 13.20 C ATOM 836 O VAL A 53 -1.704 0.815 -3.366 1.00 21.11 O ATOM 837 CB VAL A 53 -2.250 -2.374 -2.499 1.00 51.14 C ATOM 838 CG1 VAL A 53 -2.506 -1.525 -1.253 1.00 31.41 C ATOM 839 CG2 VAL A 53 -3.290 -3.489 -2.615 1.00 32.13 C ATOM 0 H VAL A 53 -1.714 -3.288 -4.758 1.00 32.44 H new ATOM 0 HA VAL A 53 -3.248 -1.108 -3.951 1.00 4.14 H new ATOM 0 HB VAL A 53 -1.264 -2.827 -2.396 1.00 51.14 H new ATOM 0 HG11 VAL A 53 -2.503 -2.164 -0.370 1.00 31.41 H new ATOM 0 HG12 VAL A 53 -1.723 -0.772 -1.159 1.00 31.41 H new ATOM 0 HG13 VAL A 53 -3.474 -1.033 -1.341 1.00 31.41 H new ATOM 0 HG21 VAL A 53 -3.280 -4.092 -1.707 1.00 32.13 H new ATOM 0 HG22 VAL A 53 -4.279 -3.051 -2.749 1.00 32.13 H new ATOM 0 HG23 VAL A 53 -3.053 -4.120 -3.472 1.00 32.13 H new ATOM 849 N CYS A 54 0.020 -0.589 -3.712 1.00 61.23 N ATOM 850 CA CYS A 54 1.048 0.453 -3.572 1.00 63.44 C ATOM 851 C CYS A 54 0.901 1.552 -4.638 1.00 65.12 C ATOM 852 O CYS A 54 1.156 2.730 -4.375 1.00 24.33 O ATOM 853 CB CYS A 54 2.446 -0.164 -3.663 1.00 64.23 C ATOM 854 SG CYS A 54 3.796 1.029 -3.492 1.00 65.12 S ATOM 0 H CYS A 54 0.391 -1.520 -3.903 1.00 61.23 H new ATOM 0 HA CYS A 54 0.911 0.912 -2.593 1.00 63.44 H new ATOM 0 HB2 CYS A 54 2.547 -0.923 -2.888 1.00 64.23 H new ATOM 0 HB3 CYS A 54 2.545 -0.672 -4.622 1.00 64.23 H new ATOM 0 HG CYS A 54 4.528 0.712 -2.465 1.00 65.12 H new ATOM 860 N THR A 55 0.497 1.158 -5.844 1.00 14.41 N ATOM 861 CA THR A 55 0.278 2.112 -6.941 1.00 30.12 C ATOM 862 C THR A 55 -1.025 2.899 -6.737 1.00 73.43 C ATOM 863 O THR A 55 -1.056 4.121 -6.894 1.00 74.02 O ATOM 864 CB THR A 55 0.227 1.396 -8.321 1.00 1.21 C ATOM 865 OG1 THR A 55 1.448 0.671 -8.551 1.00 31.03 O ATOM 866 CG2 THR A 55 0.013 2.393 -9.460 1.00 4.20 C ATOM 0 H THR A 55 0.313 0.186 -6.091 1.00 14.41 H new ATOM 0 HA THR A 55 1.123 2.801 -6.932 1.00 30.12 H new ATOM 0 HB THR A 55 -0.616 0.705 -8.301 1.00 1.21 H new ATOM 0 HG1 THR A 55 1.448 -0.149 -8.014 1.00 31.03 H new ATOM 0 HG21 THR A 55 -0.018 1.859 -10.410 1.00 4.20 H new ATOM 0 HG22 THR A 55 -0.929 2.921 -9.310 1.00 4.20 H new ATOM 0 HG23 THR A 55 0.833 3.111 -9.474 1.00 4.20 H new ATOM 874 N GLU A 56 -2.096 2.190 -6.372 1.00 73.04 N ATOM 875 CA GLU A 56 -3.404 2.813 -6.136 1.00 4.32 C ATOM 876 C GLU A 56 -3.364 3.771 -4.939 1.00 5.24 C ATOM 877 O GLU A 56 -4.078 4.774 -4.915 1.00 13.01 O ATOM 878 CB GLU A 56 -4.488 1.747 -5.917 1.00 75.22 C ATOM 879 CG GLU A 56 -4.695 0.811 -7.104 1.00 60.14 C ATOM 880 CD GLU A 56 -4.957 1.553 -8.405 1.00 43.31 C ATOM 881 OE1 GLU A 56 -5.838 2.440 -8.419 1.00 64.43 O ATOM 882 OE2 GLU A 56 -4.292 1.248 -9.419 1.00 23.53 O ATOM 0 H GLU A 56 -2.084 1.180 -6.233 1.00 73.04 H new ATOM 0 HA GLU A 56 -3.651 3.390 -7.027 1.00 4.32 H new ATOM 0 HB2 GLU A 56 -4.225 1.153 -5.042 1.00 75.22 H new ATOM 0 HB3 GLU A 56 -5.431 2.245 -5.693 1.00 75.22 H new ATOM 0 HG2 GLU A 56 -3.813 0.182 -7.222 1.00 60.14 H new ATOM 0 HG3 GLU A 56 -5.534 0.148 -6.895 1.00 60.14 H new ATOM 889 N ALA A 57 -2.528 3.457 -3.948 1.00 15.52 N ATOM 890 CA ALA A 57 -2.333 4.331 -2.785 1.00 23.40 C ATOM 891 C ALA A 57 -1.961 5.757 -3.221 1.00 24.21 C ATOM 892 O ALA A 57 -2.470 6.742 -2.685 1.00 74.24 O ATOM 893 CB ALA A 57 -1.254 3.756 -1.871 1.00 53.24 C ATOM 0 H ALA A 57 -1.973 2.602 -3.926 1.00 15.52 H new ATOM 0 HA ALA A 57 -3.273 4.382 -2.235 1.00 23.40 H new ATOM 0 HB1 ALA A 57 -1.118 4.412 -1.012 1.00 53.24 H new ATOM 0 HB2 ALA A 57 -1.557 2.767 -1.528 1.00 53.24 H new ATOM 0 HB3 ALA A 57 -0.316 3.678 -2.420 1.00 53.24 H new ATOM 899 N GLY A 58 -1.083 5.853 -4.217 1.00 44.10 N ATOM 900 CA GLY A 58 -0.694 7.149 -4.758 1.00 54.45 C ATOM 901 C GLY A 58 -1.867 7.911 -5.374 1.00 2.44 C ATOM 902 O GLY A 58 -1.858 9.139 -5.427 1.00 44.03 O ATOM 0 H GLY A 58 -0.631 5.054 -4.662 1.00 44.10 H new ATOM 0 HA2 GLY A 58 -0.253 7.751 -3.964 1.00 54.45 H new ATOM 0 HA3 GLY A 58 0.077 7.005 -5.515 1.00 54.45 H new ATOM 906 N MET A 59 -2.888 7.181 -5.831 1.00 54.23 N ATOM 907 CA MET A 59 -4.088 7.797 -6.414 1.00 75.35 C ATOM 908 C MET A 59 -4.911 8.523 -5.339 1.00 73.14 C ATOM 909 O MET A 59 -5.474 9.594 -5.588 1.00 40.34 O ATOM 910 CB MET A 59 -4.952 6.736 -7.113 1.00 44.53 C ATOM 911 CG MET A 59 -4.242 5.959 -8.225 1.00 11.30 C ATOM 912 SD MET A 59 -4.341 6.753 -9.853 1.00 72.45 S ATOM 913 CE MET A 59 -3.375 8.244 -9.622 1.00 55.13 C ATOM 0 H MET A 59 -2.910 6.161 -5.809 1.00 54.23 H new ATOM 0 HA MET A 59 -3.764 8.530 -7.152 1.00 75.35 H new ATOM 0 HB2 MET A 59 -5.308 6.028 -6.365 1.00 44.53 H new ATOM 0 HB3 MET A 59 -5.831 7.224 -7.534 1.00 44.53 H new ATOM 0 HG2 MET A 59 -3.193 5.834 -7.955 1.00 11.30 H new ATOM 0 HG3 MET A 59 -4.675 4.961 -8.291 1.00 11.30 H new ATOM 0 HE1 MET A 59 -2.885 8.509 -10.559 1.00 55.13 H new ATOM 0 HE2 MET A 59 -4.031 9.058 -9.313 1.00 55.13 H new ATOM 0 HE3 MET A 59 -2.621 8.074 -8.854 1.00 55.13 H new ATOM 923 N TYR A 60 -4.982 7.933 -4.144 1.00 53.20 N ATOM 924 CA TYR A 60 -5.656 8.569 -3.003 1.00 51.13 C ATOM 925 C TYR A 60 -4.872 9.800 -2.529 1.00 21.41 C ATOM 926 O TYR A 60 -5.446 10.774 -2.038 1.00 31.13 O ATOM 927 CB TYR A 60 -5.823 7.569 -1.852 1.00 15.33 C ATOM 928 CG TYR A 60 -6.735 6.401 -2.186 1.00 15.50 C ATOM 929 CD1 TYR A 60 -8.111 6.495 -1.998 1.00 43.01 C ATOM 930 CD2 TYR A 60 -6.225 5.210 -2.692 1.00 71.12 C ATOM 931 CE1 TYR A 60 -8.946 5.439 -2.300 1.00 5.00 C ATOM 932 CE2 TYR A 60 -7.056 4.151 -2.997 1.00 63.14 C ATOM 933 CZ TYR A 60 -8.415 4.271 -2.799 1.00 24.32 C ATOM 934 OH TYR A 60 -9.247 3.217 -3.100 1.00 4.34 O ATOM 0 H TYR A 60 -4.583 7.017 -3.938 1.00 53.20 H new ATOM 0 HA TYR A 60 -6.645 8.893 -3.328 1.00 51.13 H new ATOM 0 HB2 TYR A 60 -4.842 7.184 -1.571 1.00 15.33 H new ATOM 0 HB3 TYR A 60 -6.221 8.092 -0.983 1.00 15.33 H new ATOM 0 HD1 TYR A 60 -8.532 7.410 -1.609 1.00 43.01 H new ATOM 0 HD2 TYR A 60 -5.161 5.112 -2.849 1.00 71.12 H new ATOM 0 HE1 TYR A 60 -10.011 5.528 -2.146 1.00 5.00 H new ATOM 0 HE2 TYR A 60 -6.644 3.233 -3.389 1.00 63.14 H new ATOM 0 HH TYR A 60 -9.170 2.531 -2.405 1.00 4.34 H new ATOM 944 N ALA A 61 -3.556 9.747 -2.690 1.00 12.11 N ATOM 945 CA ALA A 61 -2.694 10.883 -2.376 1.00 63.31 C ATOM 946 C ALA A 61 -2.884 12.034 -3.381 1.00 10.32 C ATOM 947 O ALA A 61 -3.186 13.164 -2.996 1.00 25.24 O ATOM 948 CB ALA A 61 -1.235 10.434 -2.341 1.00 51.52 C ATOM 0 H ALA A 61 -3.059 8.927 -3.038 1.00 12.11 H new ATOM 0 HA ALA A 61 -2.975 11.261 -1.393 1.00 63.31 H new ATOM 0 HB1 ALA A 61 -0.598 11.286 -2.106 1.00 51.52 H new ATOM 0 HB2 ALA A 61 -1.109 9.666 -1.578 1.00 51.52 H new ATOM 0 HB3 ALA A 61 -0.956 10.029 -3.314 1.00 51.52 H new ATOM 954 N LEU A 62 -2.722 11.737 -4.670 1.00 60.01 N ATOM 955 CA LEU A 62 -2.808 12.760 -5.725 1.00 5.22 C ATOM 956 C LEU A 62 -4.165 13.486 -5.732 1.00 52.51 C ATOM 957 O LEU A 62 -4.216 14.709 -5.888 1.00 11.22 O ATOM 958 CB LEU A 62 -2.538 12.135 -7.100 1.00 22.41 C ATOM 959 CG LEU A 62 -1.134 11.536 -7.282 1.00 24.22 C ATOM 960 CD1 LEU A 62 -0.961 10.983 -8.694 1.00 2.21 C ATOM 961 CD2 LEU A 62 -0.057 12.574 -6.970 1.00 62.34 C ATOM 0 H LEU A 62 -2.530 10.796 -5.014 1.00 60.01 H new ATOM 0 HA LEU A 62 -2.043 13.505 -5.508 1.00 5.22 H new ATOM 0 HB2 LEU A 62 -3.275 11.352 -7.277 1.00 22.41 H new ATOM 0 HB3 LEU A 62 -2.693 12.897 -7.864 1.00 22.41 H new ATOM 0 HG LEU A 62 -1.023 10.711 -6.578 1.00 24.22 H new ATOM 0 HD11 LEU A 62 0.040 10.564 -8.801 1.00 2.21 H new ATOM 0 HD12 LEU A 62 -1.702 10.204 -8.873 1.00 2.21 H new ATOM 0 HD13 LEU A 62 -1.097 11.786 -9.418 1.00 2.21 H new ATOM 0 HD21 LEU A 62 0.928 12.128 -7.105 1.00 62.34 H new ATOM 0 HD22 LEU A 62 -0.166 13.425 -7.643 1.00 62.34 H new ATOM 0 HD23 LEU A 62 -0.164 12.911 -5.939 1.00 62.34 H new ATOM 973 N ARG A 63 -5.257 12.739 -5.551 1.00 10.50 N ATOM 974 CA ARG A 63 -6.604 13.337 -5.520 1.00 72.11 C ATOM 975 C ARG A 63 -6.696 14.438 -4.442 1.00 34.41 C ATOM 976 O ARG A 63 -7.370 15.453 -4.626 1.00 0.42 O ATOM 977 CB ARG A 63 -7.675 12.262 -5.248 1.00 21.11 C ATOM 978 CG ARG A 63 -7.638 11.727 -3.824 1.00 31.52 C ATOM 979 CD ARG A 63 -8.791 10.782 -3.504 1.00 64.12 C ATOM 980 NE ARG A 63 -8.848 10.500 -2.070 1.00 44.34 N ATOM 981 CZ ARG A 63 -9.629 9.623 -1.509 1.00 61.22 C ATOM 982 NH1 ARG A 63 -10.412 8.873 -2.219 1.00 54.31 N ATOM 983 NH2 ARG A 63 -9.613 9.497 -0.223 1.00 21.45 N ATOM 0 H ARG A 63 -5.241 11.727 -5.424 1.00 10.50 H new ATOM 0 HA ARG A 63 -6.787 13.783 -6.498 1.00 72.11 H new ATOM 0 HB2 ARG A 63 -8.661 12.682 -5.446 1.00 21.11 H new ATOM 0 HB3 ARG A 63 -7.535 11.435 -5.944 1.00 21.11 H new ATOM 0 HG2 ARG A 63 -6.695 11.205 -3.664 1.00 31.52 H new ATOM 0 HG3 ARG A 63 -7.661 12.565 -3.128 1.00 31.52 H new ATOM 0 HD2 ARG A 63 -9.732 11.226 -3.830 1.00 64.12 H new ATOM 0 HD3 ARG A 63 -8.669 9.851 -4.058 1.00 64.12 H new ATOM 0 HE ARG A 63 -8.227 11.033 -1.461 1.00 44.34 H new ATOM 0 HH11 ARG A 63 -10.423 8.965 -3.235 1.00 54.31 H new ATOM 0 HH12 ARG A 63 -11.017 8.191 -1.762 1.00 54.31 H new ATOM 0 HH21 ARG A 63 -8.994 10.081 0.339 1.00 21.45 H new ATOM 0 HH22 ARG A 63 -10.220 8.814 0.230 1.00 21.45 H new ATOM 997 N GLU A 64 -6.006 14.227 -3.318 1.00 23.01 N ATOM 998 CA GLU A 64 -6.023 15.174 -2.193 1.00 22.03 C ATOM 999 C GLU A 64 -4.739 16.018 -2.138 1.00 44.03 C ATOM 1000 O GLU A 64 -4.523 16.767 -1.184 1.00 24.43 O ATOM 1001 CB GLU A 64 -6.199 14.411 -0.870 1.00 33.11 C ATOM 1002 CG GLU A 64 -7.545 13.695 -0.742 1.00 2.45 C ATOM 1003 CD GLU A 64 -7.686 12.904 0.551 1.00 60.41 C ATOM 1004 OE1 GLU A 64 -7.332 13.438 1.627 1.00 10.33 O ATOM 1005 OE2 GLU A 64 -8.148 11.743 0.504 1.00 21.53 O ATOM 0 H GLU A 64 -5.424 13.404 -3.160 1.00 23.01 H new ATOM 0 HA GLU A 64 -6.863 15.852 -2.344 1.00 22.03 H new ATOM 0 HB2 GLU A 64 -5.398 13.678 -0.775 1.00 33.11 H new ATOM 0 HB3 GLU A 64 -6.090 15.111 -0.041 1.00 33.11 H new ATOM 0 HG2 GLU A 64 -8.347 14.431 -0.799 1.00 2.45 H new ATOM 0 HG3 GLU A 64 -7.671 13.020 -1.588 1.00 2.45 H new ATOM 1012 N ARG A 65 -3.891 15.891 -3.164 1.00 31.12 N ATOM 1013 CA ARG A 65 -2.620 16.634 -3.237 1.00 71.15 C ATOM 1014 C ARG A 65 -1.668 16.276 -2.079 1.00 23.41 C ATOM 1015 O ARG A 65 -0.816 17.082 -1.689 1.00 33.01 O ATOM 1016 CB ARG A 65 -2.887 18.151 -3.263 1.00 21.21 C ATOM 1017 CG ARG A 65 -3.589 18.636 -4.530 1.00 54.20 C ATOM 1018 CD ARG A 65 -2.725 18.426 -5.772 1.00 63.05 C ATOM 1019 NE ARG A 65 -3.373 18.910 -6.990 1.00 4.31 N ATOM 1020 CZ ARG A 65 -2.734 19.459 -7.990 1.00 75.40 C ATOM 1021 NH1 ARG A 65 -1.447 19.596 -7.952 1.00 64.03 N ATOM 1022 NH2 ARG A 65 -3.387 19.870 -9.027 1.00 65.22 N ATOM 0 H ARG A 65 -4.060 15.278 -3.962 1.00 31.12 H new ATOM 0 HA ARG A 65 -2.126 16.341 -4.163 1.00 71.15 H new ATOM 0 HB2 ARG A 65 -3.495 18.418 -2.398 1.00 21.21 H new ATOM 0 HB3 ARG A 65 -1.939 18.678 -3.161 1.00 21.21 H new ATOM 0 HG2 ARG A 65 -4.533 18.104 -4.649 1.00 54.20 H new ATOM 0 HG3 ARG A 65 -3.830 19.694 -4.430 1.00 54.20 H new ATOM 0 HD2 ARG A 65 -1.773 18.941 -5.641 1.00 63.05 H new ATOM 0 HD3 ARG A 65 -2.501 17.365 -5.880 1.00 63.05 H new ATOM 0 HE ARG A 65 -4.386 18.813 -7.064 1.00 4.31 H new ATOM 0 HH11 ARG A 65 -0.924 19.275 -7.138 1.00 64.03 H new ATOM 0 HH12 ARG A 65 -0.956 20.025 -8.736 1.00 64.03 H new ATOM 0 HH21 ARG A 65 -4.401 19.766 -9.065 1.00 65.22 H new ATOM 0 HH22 ARG A 65 -2.888 20.298 -9.807 1.00 65.22 H new ATOM 1036 N ARG A 66 -1.803 15.065 -1.540 1.00 13.53 N ATOM 1037 CA ARG A 66 -0.917 14.589 -0.471 1.00 13.02 C ATOM 1038 C ARG A 66 0.519 14.402 -0.981 1.00 74.22 C ATOM 1039 O ARG A 66 0.761 13.634 -1.915 1.00 41.15 O ATOM 1040 CB ARG A 66 -1.419 13.254 0.101 1.00 33.23 C ATOM 1041 CG ARG A 66 -2.834 13.296 0.669 1.00 1.15 C ATOM 1042 CD ARG A 66 -3.272 11.924 1.178 1.00 21.30 C ATOM 1043 NE ARG A 66 -4.630 11.945 1.712 1.00 5.41 N ATOM 1044 CZ ARG A 66 -5.207 10.922 2.280 1.00 62.15 C ATOM 1045 NH1 ARG A 66 -4.626 9.767 2.324 1.00 24.23 N ATOM 1046 NH2 ARG A 66 -6.392 11.049 2.769 1.00 53.10 N ATOM 0 H ARG A 66 -2.516 14.394 -1.824 1.00 13.53 H new ATOM 0 HA ARG A 66 -0.923 15.347 0.312 1.00 13.02 H new ATOM 0 HB2 ARG A 66 -1.380 12.500 -0.685 1.00 33.23 H new ATOM 0 HB3 ARG A 66 -0.736 12.931 0.887 1.00 33.23 H new ATOM 0 HG2 ARG A 66 -2.879 14.019 1.483 1.00 1.15 H new ATOM 0 HG3 ARG A 66 -3.526 13.638 -0.100 1.00 1.15 H new ATOM 0 HD2 ARG A 66 -3.214 11.200 0.365 1.00 21.30 H new ATOM 0 HD3 ARG A 66 -2.583 11.588 1.953 1.00 21.30 H new ATOM 0 HE ARG A 66 -5.161 12.813 1.637 1.00 5.41 H new ATOM 0 HH11 ARG A 66 -3.702 9.645 1.910 1.00 24.23 H new ATOM 0 HH12 ARG A 66 -5.092 8.978 2.772 1.00 24.23 H new ATOM 0 HH21 ARG A 66 -6.874 11.946 2.711 1.00 53.10 H new ATOM 0 HH22 ARG A 66 -6.848 10.253 3.214 1.00 53.10 H new ATOM 1060 N VAL A 67 1.468 15.105 -0.370 1.00 11.10 N ATOM 1061 CA VAL A 67 2.883 14.955 -0.718 1.00 11.24 C ATOM 1062 C VAL A 67 3.423 13.603 -0.224 1.00 24.25 C ATOM 1063 O VAL A 67 4.120 12.893 -0.952 1.00 14.03 O ATOM 1064 CB VAL A 67 3.739 16.099 -0.115 1.00 2.11 C ATOM 1065 CG1 VAL A 67 5.204 15.971 -0.536 1.00 53.41 C ATOM 1066 CG2 VAL A 67 3.175 17.465 -0.512 1.00 63.55 C ATOM 0 H VAL A 67 1.286 15.785 0.369 1.00 11.10 H new ATOM 0 HA VAL A 67 2.955 15.000 -1.805 1.00 11.24 H new ATOM 0 HB VAL A 67 3.695 16.015 0.971 1.00 2.11 H new ATOM 0 HG11 VAL A 67 5.781 16.786 -0.099 1.00 53.41 H new ATOM 0 HG12 VAL A 67 5.601 15.018 -0.187 1.00 53.41 H new ATOM 0 HG13 VAL A 67 5.276 16.018 -1.623 1.00 53.41 H new ATOM 0 HG21 VAL A 67 3.791 18.253 -0.078 1.00 63.55 H new ATOM 0 HG22 VAL A 67 3.178 17.558 -1.598 1.00 63.55 H new ATOM 0 HG23 VAL A 67 2.154 17.558 -0.143 1.00 63.55 H new ATOM 1076 N HIS A 68 3.082 13.253 1.019 1.00 65.20 N ATOM 1077 CA HIS A 68 3.501 11.978 1.612 1.00 41.23 C ATOM 1078 C HIS A 68 2.315 11.008 1.753 1.00 55.12 C ATOM 1079 O HIS A 68 1.242 11.384 2.231 1.00 4.54 O ATOM 1080 CB HIS A 68 4.163 12.208 2.982 1.00 1.02 C ATOM 1081 CG HIS A 68 3.256 12.797 4.023 1.00 61.10 C ATOM 1082 ND1 HIS A 68 2.438 12.203 4.926 1.00 40.31 N flip ATOM 1083 CD2 HIS A 68 3.135 14.150 4.240 1.00 72.10 C flip ATOM 1084 CE1 HIS A 68 1.854 13.203 5.662 1.00 44.43 C flip ATOM 1085 NE2 HIS A 68 2.291 14.366 5.229 1.00 41.23 N flip ATOM 0 H HIS A 68 2.516 13.835 1.636 1.00 65.20 H new ATOM 0 HA HIS A 68 4.230 11.526 0.939 1.00 41.23 H new ATOM 0 HB2 HIS A 68 4.547 11.256 3.350 1.00 1.02 H new ATOM 0 HB3 HIS A 68 5.020 12.868 2.850 1.00 1.02 H new ATOM 0 HD2 HIS A 68 3.653 14.918 3.685 1.00 72.10 H new ATOM 0 HE1 HIS A 68 1.149 13.059 6.467 1.00 44.43 H new ATOM 0 HE2 HIS A 68 2.022 15.279 5.596 1.00 41.23 H new ATOM 1094 N VAL A 69 2.525 9.764 1.338 1.00 75.32 N ATOM 1095 CA VAL A 69 1.501 8.718 1.444 1.00 10.25 C ATOM 1096 C VAL A 69 1.386 8.195 2.887 1.00 15.31 C ATOM 1097 O VAL A 69 2.395 7.972 3.565 1.00 64.33 O ATOM 1098 CB VAL A 69 1.818 7.539 0.486 1.00 61.34 C ATOM 1099 CG1 VAL A 69 0.742 6.458 0.566 1.00 43.21 C ATOM 1100 CG2 VAL A 69 1.974 8.045 -0.948 1.00 43.54 C ATOM 0 H VAL A 69 3.401 9.448 0.921 1.00 75.32 H new ATOM 0 HA VAL A 69 0.548 9.164 1.158 1.00 10.25 H new ATOM 0 HB VAL A 69 2.761 7.091 0.800 1.00 61.34 H new ATOM 0 HG11 VAL A 69 0.991 5.645 -0.116 1.00 43.21 H new ATOM 0 HG12 VAL A 69 0.688 6.073 1.584 1.00 43.21 H new ATOM 0 HG13 VAL A 69 -0.222 6.883 0.287 1.00 43.21 H new ATOM 0 HG21 VAL A 69 2.196 7.206 -1.608 1.00 43.54 H new ATOM 0 HG22 VAL A 69 1.048 8.523 -1.268 1.00 43.54 H new ATOM 0 HG23 VAL A 69 2.789 8.767 -0.992 1.00 43.54 H new ATOM 1110 N THR A 70 0.154 8.009 3.358 1.00 42.21 N ATOM 1111 CA THR A 70 -0.096 7.512 4.719 1.00 15.42 C ATOM 1112 C THR A 70 -0.607 6.069 4.691 1.00 32.13 C ATOM 1113 O THR A 70 -0.798 5.487 3.624 1.00 13.23 O ATOM 1114 CB THR A 70 -1.133 8.383 5.474 1.00 74.14 C ATOM 1115 OG1 THR A 70 -2.456 8.126 4.981 1.00 5.10 O ATOM 1116 CG2 THR A 70 -0.816 9.866 5.323 1.00 13.14 C ATOM 0 H THR A 70 -0.692 8.194 2.819 1.00 42.21 H new ATOM 0 HA THR A 70 0.859 7.561 5.243 1.00 15.42 H new ATOM 0 HB THR A 70 -1.082 8.119 6.530 1.00 74.14 H new ATOM 0 HG1 THR A 70 -2.434 8.061 4.003 1.00 5.10 H new ATOM 0 HG21 THR A 70 -1.559 10.454 5.862 1.00 13.14 H new ATOM 0 HG22 THR A 70 0.174 10.070 5.731 1.00 13.14 H new ATOM 0 HG23 THR A 70 -0.836 10.137 4.267 1.00 13.14 H new ATOM 1124 N GLN A 71 -0.828 5.489 5.870 1.00 73.02 N ATOM 1125 CA GLN A 71 -1.363 4.127 5.962 1.00 11.14 C ATOM 1126 C GLN A 71 -2.768 4.047 5.344 1.00 60.24 C ATOM 1127 O GLN A 71 -3.148 3.031 4.753 1.00 13.11 O ATOM 1128 CB GLN A 71 -1.411 3.678 7.428 1.00 33.44 C ATOM 1129 CG GLN A 71 -1.732 2.200 7.593 1.00 62.22 C ATOM 1130 CD GLN A 71 -1.917 1.783 9.037 1.00 14.32 C ATOM 1131 OE1 GLN A 71 -2.364 2.555 9.874 1.00 61.10 O ATOM 1132 NE2 GLN A 71 -1.561 0.556 9.346 1.00 44.33 N ATOM 0 H GLN A 71 -0.647 5.935 6.769 1.00 73.02 H new ATOM 0 HA GLN A 71 -0.703 3.463 5.404 1.00 11.14 H new ATOM 0 HB2 GLN A 71 -0.450 3.889 7.897 1.00 33.44 H new ATOM 0 HB3 GLN A 71 -2.160 4.267 7.957 1.00 33.44 H new ATOM 0 HG2 GLN A 71 -2.640 1.969 7.036 1.00 62.22 H new ATOM 0 HG3 GLN A 71 -0.929 1.610 7.152 1.00 62.22 H new ATOM 0 HE21 GLN A 71 -1.191 -0.065 8.626 1.00 44.33 H new ATOM 0 HE22 GLN A 71 -1.654 0.224 10.306 1.00 44.33 H new ATOM 1141 N GLU A 72 -3.518 5.140 5.474 1.00 33.43 N ATOM 1142 CA GLU A 72 -4.887 5.228 4.955 1.00 32.41 C ATOM 1143 C GLU A 72 -4.952 4.963 3.445 1.00 32.45 C ATOM 1144 O GLU A 72 -5.807 4.210 2.972 1.00 23.21 O ATOM 1145 CB GLU A 72 -5.466 6.609 5.274 1.00 14.41 C ATOM 1146 CG GLU A 72 -6.853 6.858 4.693 1.00 62.43 C ATOM 1147 CD GLU A 72 -7.423 8.198 5.118 1.00 63.44 C ATOM 1148 OE1 GLU A 72 -6.898 9.240 4.679 1.00 51.01 O ATOM 1149 OE2 GLU A 72 -8.386 8.220 5.911 1.00 43.13 O ATOM 0 H GLU A 72 -3.197 5.989 5.940 1.00 33.43 H new ATOM 0 HA GLU A 72 -5.480 4.454 5.443 1.00 32.41 H new ATOM 0 HB2 GLU A 72 -5.511 6.730 6.356 1.00 14.41 H new ATOM 0 HB3 GLU A 72 -4.785 7.372 4.897 1.00 14.41 H new ATOM 0 HG2 GLU A 72 -6.802 6.816 3.605 1.00 62.43 H new ATOM 0 HG3 GLU A 72 -7.526 6.062 5.011 1.00 62.43 H new ATOM 1156 N ASP A 73 -4.047 5.586 2.696 1.00 22.42 N ATOM 1157 CA ASP A 73 -4.000 5.421 1.243 1.00 45.22 C ATOM 1158 C ASP A 73 -3.909 3.933 0.848 1.00 51.43 C ATOM 1159 O ASP A 73 -4.612 3.472 -0.056 1.00 10.12 O ATOM 1160 CB ASP A 73 -2.804 6.191 0.673 1.00 31.14 C ATOM 1161 CG ASP A 73 -2.835 7.669 1.034 1.00 41.33 C ATOM 1162 OD1 ASP A 73 -2.470 8.014 2.178 1.00 1.40 O ATOM 1163 OD2 ASP A 73 -3.229 8.490 0.186 1.00 44.11 O ATOM 0 H ASP A 73 -3.334 6.212 3.070 1.00 22.42 H new ATOM 0 HA ASP A 73 -4.924 5.821 0.825 1.00 45.22 H new ATOM 0 HB2 ASP A 73 -1.880 5.749 1.046 1.00 31.14 H new ATOM 0 HB3 ASP A 73 -2.792 6.086 -0.412 1.00 31.14 H new ATOM 1168 N PHE A 74 -3.048 3.186 1.546 1.00 11.42 N ATOM 1169 CA PHE A 74 -2.855 1.757 1.271 1.00 21.13 C ATOM 1170 C PHE A 74 -4.114 0.928 1.590 1.00 71.43 C ATOM 1171 O PHE A 74 -4.632 0.217 0.728 1.00 23.21 O ATOM 1172 CB PHE A 74 -1.660 1.217 2.069 1.00 12.41 C ATOM 1173 CG PHE A 74 -0.329 1.800 1.657 1.00 3.33 C ATOM 1174 CD1 PHE A 74 0.317 1.349 0.513 1.00 14.43 C ATOM 1175 CD2 PHE A 74 0.281 2.788 2.417 1.00 31.40 C ATOM 1176 CE1 PHE A 74 1.539 1.878 0.135 1.00 32.53 C ATOM 1177 CE2 PHE A 74 1.501 3.317 2.046 1.00 31.04 C ATOM 1178 CZ PHE A 74 2.133 2.860 0.905 1.00 25.04 C ATOM 0 H PHE A 74 -2.472 3.547 2.307 1.00 11.42 H new ATOM 0 HA PHE A 74 -2.656 1.659 0.204 1.00 21.13 H new ATOM 0 HB2 PHE A 74 -1.822 1.421 3.127 1.00 12.41 H new ATOM 0 HB3 PHE A 74 -1.621 0.134 1.955 1.00 12.41 H new ATOM 0 HD1 PHE A 74 -0.139 0.577 -0.088 1.00 14.43 H new ATOM 0 HD2 PHE A 74 -0.206 3.148 3.311 1.00 31.40 H new ATOM 0 HE1 PHE A 74 2.028 1.524 -0.761 1.00 32.53 H new ATOM 0 HE2 PHE A 74 1.961 4.087 2.647 1.00 31.04 H new ATOM 0 HZ PHE A 74 3.089 3.270 0.616 1.00 25.04 H new ATOM 1188 N GLU A 75 -4.610 1.024 2.824 1.00 30.13 N ATOM 1189 CA GLU A 75 -5.782 0.232 3.244 1.00 31.11 C ATOM 1190 C GLU A 75 -7.024 0.549 2.393 1.00 41.13 C ATOM 1191 O GLU A 75 -7.832 -0.338 2.102 1.00 14.41 O ATOM 1192 CB GLU A 75 -6.077 0.435 4.742 1.00 73.54 C ATOM 1193 CG GLU A 75 -6.243 1.890 5.160 1.00 50.21 C ATOM 1194 CD GLU A 75 -6.409 2.052 6.663 1.00 11.22 C ATOM 1195 OE1 GLU A 75 -5.386 2.126 7.382 1.00 44.14 O ATOM 1196 OE2 GLU A 75 -7.562 2.096 7.137 1.00 42.23 O ATOM 0 H GLU A 75 -4.229 1.633 3.548 1.00 30.13 H new ATOM 0 HA GLU A 75 -5.537 -0.818 3.082 1.00 31.11 H new ATOM 0 HB2 GLU A 75 -6.986 -0.110 4.998 1.00 73.54 H new ATOM 0 HB3 GLU A 75 -5.267 -0.007 5.322 1.00 73.54 H new ATOM 0 HG2 GLU A 75 -5.374 2.460 4.831 1.00 50.21 H new ATOM 0 HG3 GLU A 75 -7.112 2.312 4.655 1.00 50.21 H new ATOM 1203 N MET A 76 -7.166 1.809 1.979 1.00 35.55 N ATOM 1204 CA MET A 76 -8.243 2.201 1.062 1.00 63.34 C ATOM 1205 C MET A 76 -8.033 1.588 -0.333 1.00 12.04 C ATOM 1206 O MET A 76 -8.989 1.210 -1.014 1.00 50.24 O ATOM 1207 CB MET A 76 -8.336 3.729 0.960 1.00 41.21 C ATOM 1208 CG MET A 76 -8.872 4.395 2.221 1.00 14.14 C ATOM 1209 SD MET A 76 -10.506 3.782 2.685 1.00 53.34 S ATOM 1210 CE MET A 76 -11.450 4.160 1.210 1.00 75.14 C ATOM 0 H MET A 76 -6.553 2.574 2.261 1.00 35.55 H new ATOM 0 HA MET A 76 -9.180 1.819 1.466 1.00 63.34 H new ATOM 0 HB2 MET A 76 -7.347 4.131 0.740 1.00 41.21 H new ATOM 0 HB3 MET A 76 -8.980 3.990 0.120 1.00 41.21 H new ATOM 0 HG2 MET A 76 -8.176 4.224 3.042 1.00 14.14 H new ATOM 0 HG3 MET A 76 -8.922 5.473 2.066 1.00 14.14 H new ATOM 0 HE1 MET A 76 -12.515 4.126 1.441 1.00 75.14 H new ATOM 0 HE2 MET A 76 -11.188 5.157 0.856 1.00 75.14 H new ATOM 0 HE3 MET A 76 -11.223 3.428 0.435 1.00 75.14 H new ATOM 1220 N ALA A 77 -6.774 1.498 -0.757 1.00 30.14 N ATOM 1221 CA ALA A 77 -6.430 0.845 -2.022 1.00 0.45 C ATOM 1222 C ALA A 77 -6.817 -0.643 -1.999 1.00 54.34 C ATOM 1223 O ALA A 77 -7.415 -1.151 -2.949 1.00 22.14 O ATOM 1224 CB ALA A 77 -4.944 1.013 -2.318 1.00 65.23 C ATOM 0 H ALA A 77 -5.974 1.869 -0.244 1.00 30.14 H new ATOM 0 HA ALA A 77 -6.998 1.324 -2.819 1.00 0.45 H new ATOM 0 HB1 ALA A 77 -4.703 0.523 -3.261 1.00 65.23 H new ATOM 0 HB2 ALA A 77 -4.705 2.074 -2.389 1.00 65.23 H new ATOM 0 HB3 ALA A 77 -4.360 0.563 -1.515 1.00 65.23 H new ATOM 1230 N VAL A 78 -6.499 -1.323 -0.894 1.00 55.21 N ATOM 1231 CA VAL A 78 -6.840 -2.746 -0.725 1.00 5.14 C ATOM 1232 C VAL A 78 -8.339 -2.999 -0.957 1.00 75.21 C ATOM 1233 O VAL A 78 -8.721 -3.907 -1.704 1.00 5.44 O ATOM 1234 CB VAL A 78 -6.460 -3.259 0.690 1.00 73.12 C ATOM 1235 CG1 VAL A 78 -6.855 -4.727 0.865 1.00 24.34 C ATOM 1236 CG2 VAL A 78 -4.970 -3.065 0.955 1.00 42.43 C ATOM 0 H VAL A 78 -6.006 -0.914 -0.100 1.00 55.21 H new ATOM 0 HA VAL A 78 -6.263 -3.291 -1.472 1.00 5.14 H new ATOM 0 HB VAL A 78 -7.015 -2.671 1.421 1.00 73.12 H new ATOM 0 HG11 VAL A 78 -6.578 -5.062 1.865 1.00 24.34 H new ATOM 0 HG12 VAL A 78 -7.932 -4.832 0.733 1.00 24.34 H new ATOM 0 HG13 VAL A 78 -6.337 -5.334 0.123 1.00 24.34 H new ATOM 0 HG21 VAL A 78 -4.727 -3.432 1.952 1.00 42.43 H new ATOM 0 HG22 VAL A 78 -4.394 -3.619 0.214 1.00 42.43 H new ATOM 0 HG23 VAL A 78 -4.723 -2.005 0.888 1.00 42.43 H new ATOM 1246 N ALA A 79 -9.179 -2.185 -0.319 1.00 51.23 N ATOM 1247 CA ALA A 79 -10.635 -2.288 -0.478 1.00 44.32 C ATOM 1248 C ALA A 79 -11.061 -2.120 -1.946 1.00 41.02 C ATOM 1249 O ALA A 79 -11.920 -2.852 -2.442 1.00 53.24 O ATOM 1250 CB ALA A 79 -11.333 -1.251 0.399 1.00 2.54 C ATOM 0 H ALA A 79 -8.879 -1.444 0.315 1.00 51.23 H new ATOM 0 HA ALA A 79 -10.935 -3.287 -0.161 1.00 44.32 H new ATOM 0 HB1 ALA A 79 -12.412 -1.336 0.274 1.00 2.54 H new ATOM 0 HB2 ALA A 79 -11.074 -1.424 1.444 1.00 2.54 H new ATOM 0 HB3 ALA A 79 -11.011 -0.251 0.107 1.00 2.54 H new ATOM 1256 N LYS A 80 -10.446 -1.162 -2.642 1.00 14.50 N ATOM 1257 CA LYS A 80 -10.771 -0.904 -4.050 1.00 2.52 C ATOM 1258 C LYS A 80 -10.259 -2.031 -4.969 1.00 64.25 C ATOM 1259 O LYS A 80 -10.783 -2.236 -6.064 1.00 31.54 O ATOM 1260 CB LYS A 80 -10.188 0.446 -4.499 1.00 71.12 C ATOM 1261 CG LYS A 80 -10.673 0.888 -5.880 1.00 62.23 C ATOM 1262 CD LYS A 80 -10.072 2.223 -6.317 1.00 25.23 C ATOM 1263 CE LYS A 80 -8.562 2.136 -6.509 1.00 51.40 C ATOM 1264 NZ LYS A 80 -8.006 3.378 -7.106 1.00 23.43 N ATOM 0 H LYS A 80 -9.723 -0.553 -2.258 1.00 14.50 H new ATOM 0 HA LYS A 80 -11.857 -0.871 -4.133 1.00 2.52 H new ATOM 0 HB2 LYS A 80 -10.453 1.209 -3.767 1.00 71.12 H new ATOM 0 HB3 LYS A 80 -9.100 0.378 -4.509 1.00 71.12 H new ATOM 0 HG2 LYS A 80 -10.418 0.122 -6.612 1.00 62.23 H new ATOM 0 HG3 LYS A 80 -11.760 0.970 -5.870 1.00 62.23 H new ATOM 0 HD2 LYS A 80 -10.538 2.542 -7.249 1.00 25.23 H new ATOM 0 HD3 LYS A 80 -10.299 2.984 -5.570 1.00 25.23 H new ATOM 0 HE2 LYS A 80 -8.084 1.950 -5.547 1.00 51.40 H new ATOM 0 HE3 LYS A 80 -8.326 1.288 -7.151 1.00 51.40 H new ATOM 0 HZ1 LYS A 80 -7.037 3.200 -7.438 1.00 23.43 H new ATOM 0 HZ2 LYS A 80 -8.598 3.673 -7.909 1.00 23.43 H new ATOM 0 HZ3 LYS A 80 -7.994 4.132 -6.390 1.00 23.43 H new ATOM 1278 N VAL A 81 -9.228 -2.749 -4.525 1.00 43.12 N ATOM 1279 CA VAL A 81 -8.663 -3.859 -5.308 1.00 34.23 C ATOM 1280 C VAL A 81 -9.468 -5.159 -5.125 1.00 12.14 C ATOM 1281 O VAL A 81 -10.037 -5.687 -6.083 1.00 52.04 O ATOM 1282 CB VAL A 81 -7.176 -4.122 -4.935 1.00 54.32 C ATOM 1283 CG1 VAL A 81 -6.630 -5.344 -5.677 1.00 24.52 C ATOM 1284 CG2 VAL A 81 -6.317 -2.892 -5.227 1.00 51.23 C ATOM 0 H VAL A 81 -8.765 -2.587 -3.631 1.00 43.12 H new ATOM 0 HA VAL A 81 -8.721 -3.555 -6.353 1.00 34.23 H new ATOM 0 HB VAL A 81 -7.133 -4.327 -3.865 1.00 54.32 H new ATOM 0 HG11 VAL A 81 -5.589 -5.504 -5.397 1.00 24.52 H new ATOM 0 HG12 VAL A 81 -7.217 -6.223 -5.411 1.00 24.52 H new ATOM 0 HG13 VAL A 81 -6.695 -5.176 -6.752 1.00 24.52 H new ATOM 0 HG21 VAL A 81 -5.281 -3.099 -4.958 1.00 51.23 H new ATOM 0 HG22 VAL A 81 -6.375 -2.651 -6.288 1.00 51.23 H new ATOM 0 HG23 VAL A 81 -6.681 -2.047 -4.643 1.00 51.23 H new ATOM 1294 N MET A 82 -9.520 -5.668 -3.891 1.00 63.12 N ATOM 1295 CA MET A 82 -10.174 -6.958 -3.616 1.00 31.03 C ATOM 1296 C MET A 82 -11.704 -6.866 -3.741 1.00 63.33 C ATOM 1297 O MET A 82 -12.357 -7.841 -4.111 1.00 14.40 O ATOM 1298 CB MET A 82 -9.788 -7.470 -2.223 1.00 14.12 C ATOM 1299 CG MET A 82 -8.289 -7.670 -2.042 1.00 54.44 C ATOM 1300 SD MET A 82 -7.884 -8.572 -0.531 1.00 54.54 S ATOM 1301 CE MET A 82 -8.562 -10.189 -0.910 1.00 20.12 C ATOM 0 H MET A 82 -9.121 -5.213 -3.070 1.00 63.12 H new ATOM 0 HA MET A 82 -9.823 -7.665 -4.368 1.00 31.03 H new ATOM 0 HB2 MET A 82 -10.145 -6.764 -1.473 1.00 14.12 H new ATOM 0 HB3 MET A 82 -10.297 -8.416 -2.038 1.00 14.12 H new ATOM 0 HG2 MET A 82 -7.892 -8.211 -2.901 1.00 54.44 H new ATOM 0 HG3 MET A 82 -7.797 -6.698 -2.023 1.00 54.44 H new ATOM 0 HE1 MET A 82 -9.439 -10.370 -0.289 1.00 20.12 H new ATOM 0 HE2 MET A 82 -8.848 -10.226 -1.961 1.00 20.12 H new ATOM 0 HE3 MET A 82 -7.812 -10.954 -0.711 1.00 20.12 H new ATOM 1311 N GLN A 83 -12.263 -5.693 -3.423 1.00 53.04 N ATOM 1312 CA GLN A 83 -13.702 -5.430 -3.611 1.00 4.22 C ATOM 1313 C GLN A 83 -14.591 -6.481 -2.919 1.00 2.20 C ATOM 1314 O GLN A 83 -15.229 -7.305 -3.577 1.00 33.43 O ATOM 1315 CB GLN A 83 -14.023 -5.364 -5.112 1.00 51.44 C ATOM 1316 CG GLN A 83 -13.249 -4.278 -5.848 1.00 35.45 C ATOM 1317 CD GLN A 83 -13.312 -4.424 -7.356 1.00 52.05 C ATOM 1318 OE1 GLN A 83 -14.211 -3.905 -8.007 1.00 31.05 O ATOM 1319 NE2 GLN A 83 -12.344 -5.109 -7.929 1.00 5.22 N ATOM 0 H GLN A 83 -11.743 -4.907 -3.033 1.00 53.04 H new ATOM 0 HA GLN A 83 -13.924 -4.472 -3.142 1.00 4.22 H new ATOM 0 HB2 GLN A 83 -13.801 -6.330 -5.566 1.00 51.44 H new ATOM 0 HB3 GLN A 83 -15.091 -5.189 -5.240 1.00 51.44 H new ATOM 0 HG2 GLN A 83 -13.645 -3.303 -5.566 1.00 35.45 H new ATOM 0 HG3 GLN A 83 -12.207 -4.303 -5.529 1.00 35.45 H new ATOM 0 HE21 GLN A 83 -11.610 -5.529 -7.359 1.00 5.22 H new ATOM 0 HE22 GLN A 83 -12.328 -5.219 -8.943 1.00 5.22 H new ATOM 1328 N LYS A 84 -14.620 -6.456 -1.591 1.00 31.21 N ATOM 1329 CA LYS A 84 -15.434 -7.399 -0.819 1.00 35.33 C ATOM 1330 C LYS A 84 -16.809 -6.792 -0.480 1.00 41.30 C ATOM 1331 O LYS A 84 -16.912 -5.622 -0.112 1.00 41.12 O ATOM 1332 CB LYS A 84 -14.693 -7.818 0.463 1.00 44.54 C ATOM 1333 CG LYS A 84 -15.458 -8.823 1.321 1.00 70.11 C ATOM 1334 CD LYS A 84 -15.904 -10.037 0.509 1.00 71.11 C ATOM 1335 CE LYS A 84 -16.734 -11.009 1.343 1.00 32.10 C ATOM 1336 NZ LYS A 84 -17.423 -12.010 0.492 1.00 22.50 N ATOM 0 H LYS A 84 -14.091 -5.794 -1.023 1.00 31.21 H new ATOM 0 HA LYS A 84 -15.602 -8.286 -1.429 1.00 35.33 H new ATOM 0 HB2 LYS A 84 -13.729 -8.248 0.190 1.00 44.54 H new ATOM 0 HB3 LYS A 84 -14.488 -6.929 1.059 1.00 44.54 H new ATOM 0 HG2 LYS A 84 -14.827 -9.150 2.147 1.00 70.11 H new ATOM 0 HG3 LYS A 84 -16.330 -8.338 1.759 1.00 70.11 H new ATOM 0 HD2 LYS A 84 -16.489 -9.705 -0.349 1.00 71.11 H new ATOM 0 HD3 LYS A 84 -15.027 -10.553 0.117 1.00 71.11 H new ATOM 0 HE2 LYS A 84 -16.088 -11.520 2.056 1.00 32.10 H new ATOM 0 HE3 LYS A 84 -17.472 -10.454 1.922 1.00 32.10 H new ATOM 0 HZ1 LYS A 84 -17.936 -12.684 1.095 1.00 22.50 H new ATOM 0 HZ2 LYS A 84 -18.096 -11.527 -0.137 1.00 22.50 H new ATOM 0 HZ3 LYS A 84 -16.721 -12.522 -0.080 1.00 22.50 H new ATOM 1350 N ASP A 85 -17.858 -7.605 -0.598 1.00 43.30 N ATOM 1351 CA ASP A 85 -19.242 -7.146 -0.408 1.00 51.42 C ATOM 1352 C ASP A 85 -19.651 -7.060 1.080 1.00 42.24 C ATOM 1353 O ASP A 85 -20.840 -6.974 1.397 1.00 13.45 O ATOM 1354 CB ASP A 85 -20.188 -8.089 -1.163 1.00 41.20 C ATOM 1355 CG ASP A 85 -20.087 -9.530 -0.686 1.00 52.52 C ATOM 1356 OD1 ASP A 85 -19.064 -10.189 -0.968 1.00 75.22 O ATOM 1357 OD2 ASP A 85 -21.028 -10.016 -0.026 1.00 1.43 O ATOM 0 H ASP A 85 -17.778 -8.596 -0.827 1.00 43.30 H new ATOM 0 HA ASP A 85 -19.312 -6.133 -0.805 1.00 51.42 H new ATOM 0 HB2 ASP A 85 -21.214 -7.742 -1.041 1.00 41.20 H new ATOM 0 HB3 ASP A 85 -19.962 -8.047 -2.228 1.00 41.20 H new ATOM 1362 N SER A 86 -18.672 -7.062 1.984 1.00 71.14 N ATOM 1363 CA SER A 86 -18.949 -7.013 3.433 1.00 0.33 C ATOM 1364 C SER A 86 -19.040 -5.564 3.960 1.00 10.41 C ATOM 1365 O SER A 86 -18.045 -5.055 4.528 1.00 37.53 O ATOM 1366 CB SER A 86 -17.869 -7.792 4.206 1.00 55.20 C ATOM 1367 OG SER A 86 -16.571 -7.271 3.951 1.00 14.11 O ATOM 1368 OXT SER A 86 -20.115 -4.937 3.812 1.00 37.53 O ATOM 0 H SER A 86 -17.680 -7.097 1.747 1.00 71.14 H new ATOM 0 HA SER A 86 -19.921 -7.480 3.595 1.00 0.33 H new ATOM 0 HB2 SER A 86 -18.078 -7.744 5.275 1.00 55.20 H new ATOM 0 HB3 SER A 86 -17.903 -8.844 3.921 1.00 55.20 H new ATOM 0 HG SER A 86 -16.564 -6.307 4.129 1.00 14.11 H new TER 1374 SER A 86