USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 819 hydrogens (34 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 79 LYS NZ :NH3+ -149:sc= 2.51 (180deg=0.346) USER MOD Set 1.2: A 92 TYR OH : rot 180:sc= 1.07 USER MOD Set 2.1: A 37 ASN : amide:sc= -0.0202 X(o=1.1,f=0.73) USER MOD Set 2.2: A 74 SER OG : rot 77:sc= 1.15 USER MOD Set 3.1: A 41 THR OG1 : rot -120:sc= 0.803 USER MOD Set 3.2: A 75 CYS SG : rot 164:sc= 0.308 USER MOD Set 4.1: A 27 THR OG1 : rot -170:sc= -0.098 USER MOD Set 4.2: A 40 HIS : no HD1:sc= 0.47 K(o=0.37,f=-5.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 1.23 (180deg=0.67) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 1.07 K(o=1.1,f=-2.2) USER MOD Single : A 7 LYS NZ :NH3+ 147:sc= -0.394 (180deg=-2.66!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 11 ASN : amide:sc= -0.801 K(o=-0.8,f=-2.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 165:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc=-0.00713 X(o=-0.0071,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc=-0.00143 F(o=-0.75,f=-0.0014) USER MOD Single : A 34 ASN : amide:sc= 0.589 K(o=0.59,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.474 K(o=0.47,f=-12!) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= -0.0245 (180deg=-0.277) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0155) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.17) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.042) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 80 HIS : no HE2:sc= 0.998 K(o=1,f=-4.1!) USER MOD Single : A 81 MET CE :methyl 170:sc= -2.57 (180deg=-2.73!) USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 0.802 (180deg=0.781) USER MOD Single : A 87 SER OG : rot 90:sc= 1.26 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.801 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 100 HIS :FLIP no HE2:sc= 0.168 F(o=-0.73,f=0.17) USER MOD Single : A 101 HIS : no HD1:sc= -0.094 X(o=-0.094,f=0) USER MOD Single : A 102 HIS : no HD1:sc=-0.00222 X(o=-0.0022,f=-0.098) USER MOD Single : A 103 ACO O2B : rot -94:sc= 0.425 USER MOD Single : A 103 ACO OAP : rot 180:sc= -0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.867 0.562 -1.103 1.00 6.95 N ATOM 2 CA MET A 1 24.332 0.099 0.224 1.00 6.01 C ATOM 3 C MET A 1 23.181 -0.559 0.976 1.00 5.28 C ATOM 4 O MET A 1 22.046 -0.557 0.499 1.00 5.28 O ATOM 5 CB MET A 1 24.867 1.281 1.038 1.00 5.80 C ATOM 6 CG MET A 1 26.021 2.018 0.379 1.00 6.10 C ATOM 7 SD MET A 1 26.463 3.524 1.267 1.00 6.20 S ATOM 8 CE MET A 1 27.670 4.235 0.150 1.00 6.73 C ATOM 0 H1 MET A 1 24.573 0.312 -1.825 1.00 6.95 H new ATOM 0 H2 MET A 1 22.961 0.106 -1.332 1.00 6.95 H new ATOM 0 H3 MET A 1 23.740 1.594 -1.086 1.00 6.95 H new ATOM 0 HA MET A 1 25.133 -0.627 0.081 1.00 6.01 H new ATOM 0 HB2 MET A 1 24.054 1.985 1.213 1.00 5.80 H new ATOM 0 HB3 MET A 1 25.191 0.919 2.014 1.00 5.80 H new ATOM 0 HG2 MET A 1 26.889 1.360 0.329 1.00 6.10 H new ATOM 0 HG3 MET A 1 25.751 2.269 -0.647 1.00 6.10 H new ATOM 0 HE1 MET A 1 28.038 5.175 0.562 1.00 6.73 H new ATOM 0 HE2 MET A 1 28.503 3.543 0.025 1.00 6.73 H new ATOM 0 HE3 MET A 1 27.205 4.421 -0.818 1.00 6.73 H new ATOM 20 N SER A 2 23.470 -1.115 2.145 1.00 5.03 N ATOM 21 CA SER A 2 22.450 -1.766 2.952 1.00 4.69 C ATOM 22 C SER A 2 21.744 -0.747 3.841 1.00 3.60 C ATOM 23 O SER A 2 22.104 -0.549 5.006 1.00 3.51 O ATOM 24 CB SER A 2 23.077 -2.875 3.797 1.00 5.46 C ATOM 25 OG SER A 2 23.843 -3.755 2.988 1.00 6.47 O ATOM 0 H SER A 2 24.404 -1.128 2.555 1.00 5.03 H new ATOM 0 HA SER A 2 21.709 -2.212 2.289 1.00 4.69 H new ATOM 0 HB2 SER A 2 23.712 -2.437 4.567 1.00 5.46 H new ATOM 0 HB3 SER A 2 22.294 -3.434 4.310 1.00 5.46 H new ATOM 0 HG SER A 2 24.236 -4.456 3.549 1.00 6.47 H new ATOM 31 N ASN A 3 20.750 -0.089 3.269 1.00 3.10 N ATOM 32 CA ASN A 3 19.983 0.920 3.979 1.00 2.27 C ATOM 33 C ASN A 3 18.520 0.859 3.557 1.00 2.15 C ATOM 34 O ASN A 3 18.214 0.800 2.366 1.00 2.83 O ATOM 35 CB ASN A 3 20.558 2.311 3.697 1.00 2.40 C ATOM 36 CG ASN A 3 19.781 3.412 4.384 1.00 2.63 C ATOM 37 OD1 ASN A 3 19.299 3.246 5.503 1.00 2.70 O ATOM 38 ND2 ASN A 3 19.658 4.545 3.718 1.00 3.35 N ATOM 0 H ASN A 3 20.453 -0.238 2.305 1.00 3.10 H new ATOM 0 HA ASN A 3 20.047 0.724 5.049 1.00 2.27 H new ATOM 0 HB2 ASN A 3 21.597 2.344 4.026 1.00 2.40 H new ATOM 0 HB3 ASN A 3 20.559 2.489 2.622 1.00 2.40 H new ATOM 0 HD21 ASN A 3 19.147 5.326 4.130 1.00 3.35 H new ATOM 0 HD22 ASN A 3 20.074 4.640 2.792 1.00 3.35 H new ATOM 45 N LEU A 4 17.625 0.852 4.532 1.00 1.64 N ATOM 46 CA LEU A 4 16.201 0.792 4.248 1.00 1.54 C ATOM 47 C LEU A 4 15.599 2.195 4.195 1.00 1.65 C ATOM 48 O LEU A 4 15.760 2.900 3.194 1.00 2.49 O ATOM 49 CB LEU A 4 15.468 -0.079 5.282 1.00 1.47 C ATOM 50 CG LEU A 4 16.111 -0.139 6.668 1.00 1.63 C ATOM 51 CD1 LEU A 4 15.048 -0.068 7.752 1.00 2.06 C ATOM 52 CD2 LEU A 4 16.930 -1.411 6.819 1.00 2.10 C ATOM 0 H LEU A 4 17.859 0.887 5.524 1.00 1.64 H new ATOM 0 HA LEU A 4 16.073 0.330 3.269 1.00 1.54 H new ATOM 0 HB2 LEU A 4 14.450 0.295 5.389 1.00 1.47 H new ATOM 0 HB3 LEU A 4 15.396 -1.094 4.890 1.00 1.47 H new ATOM 0 HG LEU A 4 16.775 0.719 6.775 1.00 1.63 H new ATOM 0 HD11 LEU A 4 15.524 -0.112 8.732 1.00 2.06 H new ATOM 0 HD12 LEU A 4 14.495 0.867 7.659 1.00 2.06 H new ATOM 0 HD13 LEU A 4 14.362 -0.908 7.644 1.00 2.06 H new ATOM 0 HD21 LEU A 4 17.381 -1.438 7.811 1.00 2.10 H new ATOM 0 HD22 LEU A 4 16.282 -2.278 6.691 1.00 2.10 H new ATOM 0 HD23 LEU A 4 17.715 -1.430 6.063 1.00 2.10 H new ATOM 64 N GLU A 5 14.932 2.593 5.282 1.00 1.13 N ATOM 65 CA GLU A 5 14.289 3.904 5.396 1.00 1.19 C ATOM 66 C GLU A 5 13.110 4.033 4.437 1.00 1.05 C ATOM 67 O GLU A 5 13.239 3.824 3.230 1.00 1.01 O ATOM 68 CB GLU A 5 15.280 5.042 5.145 1.00 1.48 C ATOM 69 CG GLU A 5 16.495 5.009 6.052 1.00 1.61 C ATOM 70 CD GLU A 5 17.455 6.137 5.758 1.00 2.22 C ATOM 71 OE1 GLU A 5 17.798 6.334 4.573 1.00 2.91 O ATOM 72 OE2 GLU A 5 17.862 6.840 6.709 1.00 2.57 O ATOM 0 H GLU A 5 14.823 2.011 6.112 1.00 1.13 H new ATOM 0 HA GLU A 5 13.920 3.982 6.419 1.00 1.19 H new ATOM 0 HB2 GLU A 5 15.612 5.000 4.108 1.00 1.48 H new ATOM 0 HB3 GLU A 5 14.766 5.994 5.277 1.00 1.48 H new ATOM 0 HG2 GLU A 5 16.172 5.070 7.091 1.00 1.61 H new ATOM 0 HG3 GLU A 5 17.010 4.055 5.933 1.00 1.61 H new ATOM 79 N ILE A 6 11.957 4.381 4.982 1.00 1.00 N ATOM 80 CA ILE A 6 10.764 4.552 4.172 1.00 0.88 C ATOM 81 C ILE A 6 10.821 5.900 3.468 1.00 0.86 C ATOM 82 O ILE A 6 10.504 6.937 4.054 1.00 0.90 O ATOM 83 CB ILE A 6 9.470 4.463 5.009 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.565 3.330 6.033 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.271 4.247 4.097 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.454 3.343 7.058 1.00 0.92 C ATOM 0 H ILE A 6 11.822 4.550 5.979 1.00 1.00 H new ATOM 0 HA ILE A 6 10.740 3.741 3.444 1.00 0.88 H new ATOM 0 HB ILE A 6 9.342 5.402 5.547 1.00 0.86 H new ATOM 0 HG12 ILE A 6 9.551 2.375 5.508 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.523 3.397 6.548 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.363 4.186 4.698 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.189 5.081 3.400 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.400 3.319 3.539 1.00 0.79 H new ATOM 0 HD11 ILE A 6 8.588 2.511 7.750 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.480 4.282 7.610 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.493 3.245 6.554 1.00 0.92 H new ATOM 98 N LYS A 7 11.274 5.884 2.229 1.00 0.86 N ATOM 99 CA LYS A 7 11.382 7.094 1.442 1.00 0.89 C ATOM 100 C LYS A 7 10.048 7.385 0.768 1.00 0.79 C ATOM 101 O LYS A 7 9.442 6.497 0.170 1.00 0.74 O ATOM 102 CB LYS A 7 12.489 6.951 0.388 1.00 0.99 C ATOM 103 CG LYS A 7 13.751 6.249 0.889 1.00 1.10 C ATOM 104 CD LYS A 7 14.576 7.138 1.810 1.00 1.61 C ATOM 105 CE LYS A 7 16.073 6.977 1.559 1.00 1.77 C ATOM 106 NZ LYS A 7 16.629 5.726 2.152 1.00 2.23 N ATOM 0 H LYS A 7 11.575 5.039 1.744 1.00 0.86 H new ATOM 0 HA LYS A 7 11.640 7.924 2.100 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.094 6.397 -0.464 1.00 0.99 H new ATOM 0 HB3 LYS A 7 12.759 7.943 0.026 1.00 0.99 H new ATOM 0 HG2 LYS A 7 13.472 5.339 1.420 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.360 5.947 0.037 1.00 1.10 H new ATOM 0 HD2 LYS A 7 14.292 8.180 1.660 1.00 1.61 H new ATOM 0 HD3 LYS A 7 14.353 6.893 2.848 1.00 1.61 H new ATOM 0 HE2 LYS A 7 16.258 6.978 0.485 1.00 1.77 H new ATOM 0 HE3 LYS A 7 16.600 7.836 1.974 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 17.400 5.370 1.552 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 16.996 5.926 3.104 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 15.879 5.008 2.214 1.00 2.23 H new ATOM 120 N GLN A 8 9.583 8.615 0.881 1.00 0.81 N ATOM 121 CA GLN A 8 8.313 9.003 0.282 1.00 0.78 C ATOM 122 C GLN A 8 8.543 9.975 -0.862 1.00 0.90 C ATOM 123 O GLN A 8 9.252 10.971 -0.713 1.00 1.15 O ATOM 124 CB GLN A 8 7.389 9.627 1.329 1.00 0.93 C ATOM 125 CG GLN A 8 8.096 10.605 2.251 1.00 1.29 C ATOM 126 CD GLN A 8 7.289 10.927 3.494 1.00 1.76 C ATOM 127 OE1 GLN A 8 6.059 10.948 3.463 1.00 2.52 O ATOM 128 NE2 GLN A 8 7.976 11.176 4.597 1.00 1.94 N ATOM 0 H GLN A 8 10.062 9.364 1.381 1.00 0.81 H new ATOM 0 HA GLN A 8 7.833 8.107 -0.111 1.00 0.78 H new ATOM 0 HB2 GLN A 8 6.573 10.142 0.822 1.00 0.93 H new ATOM 0 HB3 GLN A 8 6.942 8.833 1.927 1.00 0.93 H new ATOM 0 HG2 GLN A 8 9.059 10.188 2.546 1.00 1.29 H new ATOM 0 HG3 GLN A 8 8.301 11.527 1.707 1.00 1.29 H new ATOM 0 HE21 GLN A 8 8.995 11.148 4.580 1.00 1.94 H new ATOM 0 HE22 GLN A 8 7.486 11.396 5.464 1.00 1.94 H new ATOM 137 N GLY A 9 7.960 9.670 -2.006 1.00 0.87 N ATOM 138 CA GLY A 9 8.111 10.523 -3.166 1.00 1.04 C ATOM 139 C GLY A 9 7.052 10.266 -4.213 1.00 0.71 C ATOM 140 O GLY A 9 6.623 9.127 -4.385 1.00 0.83 O ATOM 0 H GLY A 9 7.381 8.843 -2.155 1.00 0.87 H new ATOM 0 HA2 GLY A 9 8.064 11.567 -2.855 1.00 1.04 H new ATOM 0 HA3 GLY A 9 9.097 10.365 -3.604 1.00 1.04 H new ATOM 144 N GLU A 10 6.642 11.334 -4.900 1.00 1.04 N ATOM 145 CA GLU A 10 5.623 11.294 -5.963 1.00 0.82 C ATOM 146 C GLU A 10 4.453 10.356 -5.645 1.00 0.70 C ATOM 147 O GLU A 10 4.104 9.483 -6.446 1.00 0.72 O ATOM 148 CB GLU A 10 6.252 10.939 -7.322 1.00 0.79 C ATOM 149 CG GLU A 10 6.987 9.605 -7.363 1.00 1.82 C ATOM 150 CD GLU A 10 7.601 9.322 -8.716 1.00 2.48 C ATOM 151 OE1 GLU A 10 6.864 8.905 -9.636 1.00 2.65 O ATOM 152 OE2 GLU A 10 8.824 9.508 -8.865 1.00 3.19 O ATOM 0 H GLU A 10 7.012 12.270 -4.734 1.00 1.04 H new ATOM 0 HA GLU A 10 5.207 12.300 -6.020 1.00 0.82 H new ATOM 0 HB2 GLU A 10 5.466 10.927 -8.077 1.00 0.79 H new ATOM 0 HB3 GLU A 10 6.949 11.729 -7.600 1.00 0.79 H new ATOM 0 HG2 GLU A 10 7.770 9.602 -6.605 1.00 1.82 H new ATOM 0 HG3 GLU A 10 6.293 8.804 -7.108 1.00 1.82 H new ATOM 159 N ASN A 11 3.852 10.551 -4.474 1.00 0.63 N ATOM 160 CA ASN A 11 2.704 9.749 -4.034 1.00 0.59 C ATOM 161 C ASN A 11 3.049 8.264 -3.964 1.00 0.47 C ATOM 162 O ASN A 11 2.225 7.405 -4.286 1.00 0.44 O ATOM 163 CB ASN A 11 1.507 9.953 -4.968 1.00 0.71 C ATOM 164 CG ASN A 11 1.010 11.383 -5.000 1.00 0.73 C ATOM 165 OD1 ASN A 11 1.129 12.121 -4.021 1.00 1.10 O ATOM 166 ND2 ASN A 11 0.437 11.780 -6.126 1.00 1.38 N ATOM 0 H ASN A 11 4.142 11.264 -3.804 1.00 0.63 H new ATOM 0 HA ASN A 11 2.441 10.089 -3.032 1.00 0.59 H new ATOM 0 HB2 ASN A 11 1.786 9.650 -5.977 1.00 0.71 H new ATOM 0 HB3 ASN A 11 0.693 9.300 -4.653 1.00 0.71 H new ATOM 0 HD21 ASN A 11 0.074 12.730 -6.206 1.00 1.38 H new ATOM 0 HD22 ASN A 11 0.359 11.136 -6.913 1.00 1.38 H new ATOM 173 N LYS A 12 4.258 7.967 -3.524 1.00 0.45 N ATOM 174 CA LYS A 12 4.711 6.595 -3.420 1.00 0.43 C ATOM 175 C LYS A 12 5.662 6.418 -2.243 1.00 0.46 C ATOM 176 O LYS A 12 6.529 7.259 -1.999 1.00 0.55 O ATOM 177 CB LYS A 12 5.407 6.183 -4.722 1.00 0.50 C ATOM 178 CG LYS A 12 6.326 4.975 -4.581 1.00 0.65 C ATOM 179 CD LYS A 12 7.069 4.675 -5.873 1.00 0.59 C ATOM 180 CE LYS A 12 8.102 5.744 -6.183 1.00 0.73 C ATOM 181 NZ LYS A 12 8.802 5.481 -7.467 1.00 0.94 N ATOM 0 H LYS A 12 4.945 8.662 -3.232 1.00 0.45 H new ATOM 0 HA LYS A 12 3.843 5.958 -3.251 1.00 0.43 H new ATOM 0 HB2 LYS A 12 4.648 5.963 -5.473 1.00 0.50 H new ATOM 0 HB3 LYS A 12 5.988 7.027 -5.093 1.00 0.50 H new ATOM 0 HG2 LYS A 12 7.045 5.157 -3.782 1.00 0.65 H new ATOM 0 HG3 LYS A 12 5.739 4.104 -4.289 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.560 3.705 -5.795 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.357 4.606 -6.696 1.00 0.59 H new ATOM 0 HE2 LYS A 12 7.615 6.718 -6.228 1.00 0.73 H new ATOM 0 HE3 LYS A 12 8.831 5.790 -5.374 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 9.499 6.233 -7.643 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 9.288 4.563 -7.416 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 8.109 5.463 -8.243 1.00 0.94 H new ATOM 195 N PHE A 13 5.470 5.337 -1.510 1.00 0.46 N ATOM 196 CA PHE A 13 6.328 5.005 -0.388 1.00 0.50 C ATOM 197 C PHE A 13 7.225 3.856 -0.808 1.00 0.50 C ATOM 198 O PHE A 13 6.737 2.774 -1.142 1.00 0.46 O ATOM 199 CB PHE A 13 5.502 4.611 0.839 1.00 0.51 C ATOM 200 CG PHE A 13 4.899 5.777 1.579 1.00 0.53 C ATOM 201 CD1 PHE A 13 5.646 6.492 2.500 1.00 0.63 C ATOM 202 CD2 PHE A 13 3.582 6.151 1.359 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.095 7.557 3.186 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.025 7.216 2.044 1.00 0.59 C ATOM 205 CZ PHE A 13 3.782 7.918 2.959 1.00 0.65 C ATOM 0 H PHE A 13 4.719 4.667 -1.674 1.00 0.46 H new ATOM 0 HA PHE A 13 6.925 5.875 -0.113 1.00 0.50 H new ATOM 0 HB2 PHE A 13 4.701 3.942 0.524 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.136 4.049 1.525 1.00 0.51 H new ATOM 0 HD1 PHE A 13 6.673 6.213 2.684 1.00 0.63 H new ATOM 0 HD2 PHE A 13 2.984 5.605 0.645 1.00 0.54 H new ATOM 0 HE1 PHE A 13 5.691 8.107 3.899 1.00 0.69 H new ATOM 0 HE2 PHE A 13 1.998 7.498 1.863 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.348 8.748 3.497 1.00 0.65 H new ATOM 215 N TYR A 14 8.522 4.096 -0.833 1.00 0.60 N ATOM 216 CA TYR A 14 9.464 3.074 -1.242 1.00 0.64 C ATOM 217 C TYR A 14 10.624 2.959 -0.264 1.00 0.69 C ATOM 218 O TYR A 14 11.166 3.956 0.211 1.00 0.75 O ATOM 219 CB TYR A 14 9.977 3.347 -2.665 1.00 0.67 C ATOM 220 CG TYR A 14 10.720 4.653 -2.837 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.035 5.851 -2.992 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.108 4.685 -2.854 1.00 0.93 C ATOM 223 CE1 TYR A 14 10.711 7.044 -3.156 1.00 0.92 C ATOM 224 CE2 TYR A 14 12.791 5.872 -3.018 1.00 1.04 C ATOM 225 CZ TYR A 14 12.089 7.049 -3.168 1.00 1.03 C ATOM 226 OH TYR A 14 12.769 8.235 -3.332 1.00 1.16 O ATOM 0 H TYR A 14 8.946 4.987 -0.576 1.00 0.60 H new ATOM 0 HA TYR A 14 8.937 2.120 -1.241 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.635 2.530 -2.961 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.129 3.336 -3.349 1.00 0.67 H new ATOM 0 HD1 TYR A 14 8.955 5.850 -2.984 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.662 3.765 -2.737 1.00 0.93 H new ATOM 0 HE1 TYR A 14 10.163 7.967 -3.274 1.00 0.92 H new ATOM 0 HE2 TYR A 14 13.871 5.879 -3.029 1.00 1.04 H new ATOM 0 HH TYR A 14 13.708 8.111 -3.082 1.00 1.16 H new ATOM 236 N ILE A 15 10.977 1.730 0.048 1.00 0.71 N ATOM 237 CA ILE A 15 12.072 1.455 0.954 1.00 0.78 C ATOM 238 C ILE A 15 13.288 0.998 0.160 1.00 0.92 C ATOM 239 O ILE A 15 13.217 0.031 -0.606 1.00 0.92 O ATOM 240 CB ILE A 15 11.687 0.385 2.002 1.00 0.73 C ATOM 241 CG1 ILE A 15 10.629 0.939 2.958 1.00 0.67 C ATOM 242 CG2 ILE A 15 12.913 -0.066 2.778 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.109 -0.079 3.949 1.00 0.71 C ATOM 0 H ILE A 15 10.516 0.897 -0.317 1.00 0.71 H new ATOM 0 HA ILE A 15 12.309 2.373 1.492 1.00 0.78 H new ATOM 0 HB ILE A 15 11.272 -0.477 1.480 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.052 1.781 3.505 1.00 0.67 H new ATOM 0 HG13 ILE A 15 9.793 1.325 2.375 1.00 0.67 H new ATOM 0 HG21 ILE A 15 12.623 -0.819 3.511 1.00 0.80 H new ATOM 0 HG22 ILE A 15 13.643 -0.492 2.090 1.00 0.80 H new ATOM 0 HG23 ILE A 15 13.354 0.789 3.291 1.00 0.80 H new ATOM 0 HD11 ILE A 15 9.363 0.388 4.592 1.00 0.71 H new ATOM 0 HD12 ILE A 15 9.655 -0.911 3.411 1.00 0.71 H new ATOM 0 HD13 ILE A 15 10.934 -0.448 4.558 1.00 0.71 H new ATOM 255 N GLY A 16 14.388 1.710 0.331 1.00 1.09 N ATOM 256 CA GLY A 16 15.605 1.377 -0.369 1.00 1.26 C ATOM 257 C GLY A 16 16.665 2.436 -0.182 1.00 1.42 C ATOM 258 O GLY A 16 16.369 3.547 0.266 1.00 1.52 O ATOM 0 H GLY A 16 14.459 2.519 0.948 1.00 1.09 H new ATOM 0 HA2 GLY A 16 15.981 0.419 -0.010 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.393 1.258 -1.432 1.00 1.26 H new ATOM 262 N ASP A 17 17.898 2.097 -0.528 1.00 1.55 N ATOM 263 CA ASP A 17 19.022 3.019 -0.393 1.00 1.74 C ATOM 264 C ASP A 17 19.060 4.005 -1.557 1.00 1.66 C ATOM 265 O ASP A 17 19.750 5.023 -1.509 1.00 1.78 O ATOM 266 CB ASP A 17 20.334 2.232 -0.323 1.00 1.95 C ATOM 267 CG ASP A 17 21.540 3.123 -0.109 1.00 2.20 C ATOM 268 OD1 ASP A 17 21.471 4.034 0.742 1.00 2.62 O ATOM 269 OD2 ASP A 17 22.568 2.911 -0.791 1.00 2.14 O ATOM 0 H ASP A 17 18.149 1.184 -0.907 1.00 1.55 H new ATOM 0 HA ASP A 17 18.895 3.587 0.528 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.275 1.507 0.488 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.464 1.667 -1.246 1.00 1.95 H new ATOM 274 N ASP A 18 18.301 3.699 -2.597 1.00 1.53 N ATOM 275 CA ASP A 18 18.240 4.538 -3.785 1.00 1.48 C ATOM 276 C ASP A 18 16.913 4.311 -4.507 1.00 1.37 C ATOM 277 O ASP A 18 16.284 3.267 -4.333 1.00 1.29 O ATOM 278 CB ASP A 18 19.437 4.234 -4.694 1.00 1.53 C ATOM 279 CG ASP A 18 19.289 4.790 -6.092 1.00 1.47 C ATOM 280 OD1 ASP A 18 19.570 5.988 -6.296 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.898 4.028 -6.997 1.00 1.41 O ATOM 0 H ASP A 18 17.713 2.867 -2.643 1.00 1.53 H new ATOM 0 HA ASP A 18 18.293 5.589 -3.501 1.00 1.48 H new ATOM 0 HB2 ASP A 18 20.340 4.645 -4.242 1.00 1.53 H new ATOM 0 HB3 ASP A 18 19.573 3.154 -4.753 1.00 1.53 H new ATOM 286 N GLU A 19 16.487 5.293 -5.296 1.00 1.41 N ATOM 287 CA GLU A 19 15.223 5.226 -6.033 1.00 1.38 C ATOM 288 C GLU A 19 15.151 4.001 -6.947 1.00 1.34 C ATOM 289 O GLU A 19 14.101 3.365 -7.060 1.00 1.34 O ATOM 290 CB GLU A 19 15.024 6.496 -6.866 1.00 1.49 C ATOM 291 CG GLU A 19 15.123 7.784 -6.063 1.00 1.76 C ATOM 292 CD GLU A 19 16.549 8.276 -5.926 1.00 2.08 C ATOM 293 OE1 GLU A 19 17.018 9.008 -6.822 1.00 2.43 O ATOM 294 OE2 GLU A 19 17.210 7.925 -4.928 1.00 2.72 O ATOM 0 H GLU A 19 17.006 6.158 -5.444 1.00 1.41 H new ATOM 0 HA GLU A 19 14.427 5.140 -5.293 1.00 1.38 H new ATOM 0 HB2 GLU A 19 15.769 6.517 -7.661 1.00 1.49 H new ATOM 0 HB3 GLU A 19 14.047 6.454 -7.347 1.00 1.49 H new ATOM 0 HG2 GLU A 19 14.521 8.555 -6.544 1.00 1.76 H new ATOM 0 HG3 GLU A 19 14.701 7.623 -5.071 1.00 1.76 H new ATOM 301 N ASN A 20 16.265 3.662 -7.585 1.00 1.37 N ATOM 302 CA ASN A 20 16.306 2.514 -8.487 1.00 1.39 C ATOM 303 C ASN A 20 16.656 1.246 -7.727 1.00 1.40 C ATOM 304 O ASN A 20 16.805 0.170 -8.308 1.00 1.52 O ATOM 305 CB ASN A 20 17.311 2.740 -9.613 1.00 1.48 C ATOM 306 CG ASN A 20 16.673 3.371 -10.832 1.00 2.08 C ATOM 307 OD1 ASN A 20 16.591 4.594 -10.941 1.00 2.92 O ATOM 308 ND2 ASN A 20 16.209 2.545 -11.754 1.00 2.15 N ATOM 0 H ASN A 20 17.149 4.162 -7.496 1.00 1.37 H new ATOM 0 HA ASN A 20 15.314 2.399 -8.925 1.00 1.39 H new ATOM 0 HB2 ASN A 20 18.117 3.380 -9.255 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.761 1.787 -9.893 1.00 1.48 H new ATOM 0 HD21 ASN A 20 15.764 2.916 -12.593 1.00 2.15 H new ATOM 0 HD22 ASN A 20 16.296 1.537 -11.626 1.00 2.15 H new ATOM 315 N ASN A 21 16.788 1.387 -6.420 1.00 1.36 N ATOM 316 CA ASN A 21 17.105 0.272 -5.546 1.00 1.38 C ATOM 317 C ASN A 21 15.973 0.081 -4.559 1.00 1.25 C ATOM 318 O ASN A 21 16.177 -0.347 -3.423 1.00 1.23 O ATOM 319 CB ASN A 21 18.422 0.524 -4.813 1.00 1.54 C ATOM 320 CG ASN A 21 19.630 0.290 -5.699 1.00 1.92 C ATOM 321 OD1 ASN A 21 20.216 -0.792 -5.695 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.010 1.301 -6.470 1.00 2.45 N ATOM 0 H ASN A 21 16.678 2.278 -5.935 1.00 1.36 H new ATOM 0 HA ASN A 21 17.222 -0.634 -6.141 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.439 1.549 -4.444 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.481 -0.129 -3.943 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.814 1.197 -7.088 1.00 2.45 H new ATOM 0 HD22 ASN A 21 19.498 2.183 -6.444 1.00 2.45 H new ATOM 329 N ALA A 22 14.775 0.433 -5.006 1.00 1.19 N ATOM 330 CA ALA A 22 13.580 0.309 -4.195 1.00 1.09 C ATOM 331 C ALA A 22 13.211 -1.155 -4.025 1.00 1.06 C ATOM 332 O ALA A 22 12.657 -1.779 -4.934 1.00 1.14 O ATOM 333 CB ALA A 22 12.432 1.083 -4.826 1.00 1.04 C ATOM 0 H ALA A 22 14.609 0.811 -5.939 1.00 1.19 H new ATOM 0 HA ALA A 22 13.778 0.731 -3.210 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.541 0.981 -4.207 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.702 2.136 -4.903 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.229 0.687 -5.821 1.00 1.04 H new ATOM 339 N LEU A 23 13.537 -1.699 -2.865 1.00 0.99 N ATOM 340 CA LEU A 23 13.258 -3.093 -2.552 1.00 0.99 C ATOM 341 C LEU A 23 11.759 -3.308 -2.423 1.00 0.87 C ATOM 342 O LEU A 23 11.229 -4.355 -2.791 1.00 0.95 O ATOM 343 CB LEU A 23 13.966 -3.482 -1.252 1.00 1.05 C ATOM 344 CG LEU A 23 15.410 -2.992 -1.145 1.00 1.25 C ATOM 345 CD1 LEU A 23 15.849 -2.945 0.305 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.341 -3.883 -1.952 1.00 1.37 C ATOM 0 H LEU A 23 14.002 -1.189 -2.114 1.00 0.99 H new ATOM 0 HA LEU A 23 13.631 -3.724 -3.359 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.398 -3.085 -0.411 1.00 1.05 H new ATOM 0 HB3 LEU A 23 13.956 -4.568 -1.159 1.00 1.05 H new ATOM 0 HG LEU A 23 15.459 -1.983 -1.555 1.00 1.25 H new ATOM 0 HD11 LEU A 23 16.879 -2.594 0.362 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.203 -2.264 0.859 1.00 1.39 H new ATOM 0 HD13 LEU A 23 15.781 -3.943 0.738 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.364 -3.517 -1.862 1.00 1.37 H new ATOM 0 HD22 LEU A 23 16.287 -4.904 -1.573 1.00 1.37 H new ATOM 0 HD23 LEU A 23 16.041 -3.868 -3.000 1.00 1.37 H new ATOM 358 N ALA A 24 11.079 -2.295 -1.916 1.00 0.77 N ATOM 359 CA ALA A 24 9.640 -2.356 -1.744 1.00 0.66 C ATOM 360 C ALA A 24 9.026 -0.995 -2.018 1.00 0.60 C ATOM 361 O ALA A 24 9.452 0.002 -1.440 1.00 0.67 O ATOM 362 CB ALA A 24 9.303 -2.819 -0.339 1.00 0.71 C ATOM 0 H ALA A 24 11.503 -1.417 -1.615 1.00 0.77 H new ATOM 0 HA ALA A 24 9.226 -3.073 -2.453 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.220 -2.862 -0.220 1.00 0.71 H new ATOM 0 HB2 ALA A 24 9.726 -3.810 -0.171 1.00 0.71 H new ATOM 0 HB3 ALA A 24 9.720 -2.119 0.385 1.00 0.71 H new ATOM 368 N GLU A 25 8.035 -0.946 -2.897 1.00 0.54 N ATOM 369 CA GLU A 25 7.384 0.316 -3.217 1.00 0.52 C ATOM 370 C GLU A 25 5.877 0.142 -3.382 1.00 0.43 C ATOM 371 O GLU A 25 5.401 -0.822 -3.995 1.00 0.45 O ATOM 372 CB GLU A 25 7.986 0.941 -4.483 1.00 0.65 C ATOM 373 CG GLU A 25 7.625 0.219 -5.773 1.00 0.84 C ATOM 374 CD GLU A 25 7.686 1.125 -6.988 1.00 0.87 C ATOM 375 OE1 GLU A 25 8.779 1.640 -7.303 1.00 1.33 O ATOM 376 OE2 GLU A 25 6.639 1.317 -7.645 1.00 1.02 O ATOM 0 H GLU A 25 7.667 -1.756 -3.396 1.00 0.54 H new ATOM 0 HA GLU A 25 7.558 0.991 -2.379 1.00 0.52 H new ATOM 0 HB2 GLU A 25 7.654 1.977 -4.555 1.00 0.65 H new ATOM 0 HB3 GLU A 25 9.071 0.960 -4.383 1.00 0.65 H new ATOM 0 HG2 GLU A 25 8.305 -0.621 -5.917 1.00 0.84 H new ATOM 0 HG3 GLU A 25 6.621 -0.195 -5.684 1.00 0.84 H new ATOM 383 N ILE A 26 5.135 1.070 -2.803 1.00 0.40 N ATOM 384 CA ILE A 26 3.687 1.072 -2.890 1.00 0.33 C ATOM 385 C ILE A 26 3.233 2.417 -3.445 1.00 0.33 C ATOM 386 O ILE A 26 3.683 3.473 -2.987 1.00 0.38 O ATOM 387 CB ILE A 26 3.017 0.789 -1.520 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.493 0.753 -1.665 1.00 0.30 C ATOM 389 CG2 ILE A 26 3.440 1.820 -0.481 1.00 0.41 C ATOM 390 CD1 ILE A 26 0.782 0.201 -0.448 1.00 0.34 C ATOM 0 H ILE A 26 5.520 1.843 -2.260 1.00 0.40 H new ATOM 0 HA ILE A 26 3.378 0.267 -3.557 1.00 0.33 H new ATOM 0 HB ILE A 26 3.351 -0.189 -1.174 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.131 1.762 -1.860 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.233 0.147 -2.533 1.00 0.30 H new ATOM 0 HG21 ILE A 26 2.956 1.598 0.470 1.00 0.41 H new ATOM 0 HG22 ILE A 26 4.522 1.786 -0.354 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.145 2.815 -0.815 1.00 0.41 H new ATOM 0 HD11 ILE A 26 -0.294 0.205 -0.622 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.116 -0.820 -0.264 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.012 0.820 0.419 1.00 0.34 H new ATOM 402 N THR A 27 2.373 2.389 -4.444 1.00 0.33 N ATOM 403 CA THR A 27 1.909 3.615 -5.059 1.00 0.35 C ATOM 404 C THR A 27 0.442 3.874 -4.753 1.00 0.37 C ATOM 405 O THR A 27 -0.387 2.967 -4.821 1.00 0.41 O ATOM 406 CB THR A 27 2.111 3.575 -6.585 1.00 0.40 C ATOM 407 OG1 THR A 27 1.571 2.359 -7.126 1.00 0.60 O ATOM 408 CG2 THR A 27 3.586 3.673 -6.938 1.00 0.51 C ATOM 0 H THR A 27 1.984 1.536 -4.845 1.00 0.33 H new ATOM 0 HA THR A 27 2.502 4.427 -4.637 1.00 0.35 H new ATOM 0 HB THR A 27 1.588 4.429 -7.016 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.842 2.269 -8.063 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.704 3.643 -8.021 1.00 0.51 H new ATOM 0 HG22 THR A 27 3.990 4.610 -6.555 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.123 2.837 -6.491 1.00 0.51 H new ATOM 416 N TYR A 28 0.129 5.113 -4.416 1.00 0.39 N ATOM 417 CA TYR A 28 -1.241 5.501 -4.113 1.00 0.45 C ATOM 418 C TYR A 28 -1.564 6.803 -4.825 1.00 0.48 C ATOM 419 O TYR A 28 -0.739 7.717 -4.872 1.00 0.68 O ATOM 420 CB TYR A 28 -1.469 5.627 -2.597 1.00 0.48 C ATOM 421 CG TYR A 28 -0.705 6.749 -1.924 1.00 0.49 C ATOM 422 CD1 TYR A 28 0.637 6.608 -1.594 1.00 0.51 C ATOM 423 CD2 TYR A 28 -1.333 7.946 -1.608 1.00 0.59 C ATOM 424 CE1 TYR A 28 1.330 7.629 -0.969 1.00 0.60 C ATOM 425 CE2 TYR A 28 -0.650 8.972 -0.982 1.00 0.66 C ATOM 426 CZ TYR A 28 0.683 8.810 -0.665 1.00 0.65 C ATOM 427 OH TYR A 28 1.368 9.830 -0.035 1.00 0.76 O ATOM 0 H TYR A 28 0.807 5.872 -4.345 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.913 4.721 -4.471 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.534 5.774 -2.416 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -1.192 4.685 -2.124 1.00 0.48 H new ATOM 0 HD1 TYR A 28 1.148 5.686 -1.829 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -2.376 8.078 -1.856 1.00 0.59 H new ATOM 0 HE1 TYR A 28 2.373 7.503 -0.720 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -1.157 9.895 -0.742 1.00 0.66 H new ATOM 0 HH TYR A 28 0.766 10.591 0.105 1.00 0.76 H new ATOM 437 N ARG A 29 -2.742 6.873 -5.413 1.00 0.42 N ATOM 438 CA ARG A 29 -3.151 8.063 -6.138 1.00 0.48 C ATOM 439 C ARG A 29 -4.373 8.705 -5.502 1.00 0.48 C ATOM 440 O ARG A 29 -5.282 8.013 -5.039 1.00 0.49 O ATOM 441 CB ARG A 29 -3.457 7.716 -7.591 1.00 0.56 C ATOM 442 CG ARG A 29 -2.234 7.309 -8.398 1.00 0.93 C ATOM 443 CD ARG A 29 -2.587 7.043 -9.852 1.00 1.22 C ATOM 444 NE ARG A 29 -3.245 5.747 -10.036 1.00 1.83 N ATOM 445 CZ ARG A 29 -4.548 5.588 -10.267 1.00 2.81 C ATOM 446 NH1 ARG A 29 -5.362 6.641 -10.314 1.00 3.23 N ATOM 447 NH2 ARG A 29 -5.031 4.369 -10.460 1.00 3.63 N ATOM 0 H ARG A 29 -3.433 6.122 -5.404 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.327 8.775 -6.098 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -4.183 6.903 -7.615 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -3.926 8.576 -8.069 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -1.483 8.097 -8.344 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -1.790 6.414 -7.961 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -3.242 7.835 -10.215 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.680 7.077 -10.456 1.00 1.22 H new ATOM 0 HE ARG A 29 -2.666 4.909 -9.984 1.00 1.83 H new ATOM 0 HH11 ARG A 29 -4.990 7.580 -10.173 1.00 3.23 H new ATOM 0 HH12 ARG A 29 -6.358 6.508 -10.491 1.00 3.23 H new ATOM 0 HH21 ARG A 29 -4.407 3.563 -10.431 1.00 3.63 H new ATOM 0 HH22 ARG A 29 -6.027 4.237 -10.637 1.00 3.63 H new ATOM 461 N PHE A 30 -4.390 10.028 -5.491 1.00 0.56 N ATOM 462 CA PHE A 30 -5.502 10.777 -4.930 1.00 0.60 C ATOM 463 C PHE A 30 -6.612 10.864 -5.969 1.00 0.68 C ATOM 464 O PHE A 30 -6.695 11.825 -6.733 1.00 0.83 O ATOM 465 CB PHE A 30 -5.054 12.182 -4.508 1.00 0.66 C ATOM 466 CG PHE A 30 -4.017 12.191 -3.419 1.00 0.66 C ATOM 467 CD1 PHE A 30 -2.669 12.103 -3.726 1.00 0.70 C ATOM 468 CD2 PHE A 30 -4.390 12.286 -2.090 1.00 0.72 C ATOM 469 CE1 PHE A 30 -1.716 12.112 -2.727 1.00 0.77 C ATOM 470 CE2 PHE A 30 -3.439 12.296 -1.087 1.00 0.80 C ATOM 471 CZ PHE A 30 -2.101 12.207 -1.407 1.00 0.82 C ATOM 0 H PHE A 30 -3.640 10.609 -5.867 1.00 0.56 H new ATOM 0 HA PHE A 30 -5.870 10.264 -4.041 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -4.656 12.702 -5.379 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -5.925 12.744 -4.171 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -2.360 12.027 -4.758 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -5.437 12.353 -1.833 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -0.668 12.045 -2.980 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -3.744 12.373 -0.054 1.00 0.80 H new ATOM 0 HZ PHE A 30 -1.356 12.212 -0.625 1.00 0.82 H new ATOM 481 N VAL A 31 -7.452 9.840 -5.997 1.00 0.62 N ATOM 482 CA VAL A 31 -8.542 9.767 -6.957 1.00 0.70 C ATOM 483 C VAL A 31 -9.677 10.723 -6.607 1.00 0.73 C ATOM 484 O VAL A 31 -10.449 11.118 -7.480 1.00 0.83 O ATOM 485 CB VAL A 31 -9.090 8.329 -7.085 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.067 7.430 -7.764 1.00 0.84 C ATOM 487 CG2 VAL A 31 -9.480 7.765 -5.727 1.00 0.67 C ATOM 0 H VAL A 31 -7.398 9.044 -5.362 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.125 10.070 -7.918 1.00 0.70 H new ATOM 0 HB VAL A 31 -9.988 8.364 -7.702 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -8.468 6.420 -7.847 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -7.847 7.816 -8.759 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.151 7.409 -7.173 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -9.862 6.752 -5.850 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -8.606 7.747 -5.076 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.252 8.392 -5.281 1.00 0.67 H new ATOM 497 N ASP A 32 -9.780 11.096 -5.337 1.00 0.72 N ATOM 498 CA ASP A 32 -10.827 12.012 -4.903 1.00 0.84 C ATOM 499 C ASP A 32 -10.344 12.859 -3.732 1.00 0.97 C ATOM 500 O ASP A 32 -11.082 13.097 -2.777 1.00 1.74 O ATOM 501 CB ASP A 32 -12.091 11.237 -4.521 1.00 0.84 C ATOM 502 CG ASP A 32 -13.299 12.136 -4.363 1.00 0.97 C ATOM 503 OD1 ASP A 32 -13.552 12.972 -5.258 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.007 12.007 -3.344 1.00 1.16 O ATOM 0 H ASP A 32 -9.156 10.781 -4.594 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.068 12.678 -5.731 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.298 10.487 -5.285 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -11.916 10.702 -3.588 1.00 0.84 H new ATOM 509 N ASN A 33 -9.089 13.303 -3.819 1.00 0.89 N ATOM 510 CA ASN A 33 -8.459 14.140 -2.789 1.00 0.95 C ATOM 511 C ASN A 33 -8.285 13.388 -1.464 1.00 0.84 C ATOM 512 O ASN A 33 -7.164 13.102 -1.057 1.00 1.07 O ATOM 513 CB ASN A 33 -9.255 15.432 -2.569 1.00 1.09 C ATOM 514 CG ASN A 33 -8.573 16.393 -1.612 1.00 1.82 C ATOM 515 OD1 ASN A 33 -7.250 16.462 -1.660 1.00 2.09 O flip ATOM 516 ND2 ASN A 33 -9.239 17.087 -0.845 1.00 2.72 N flip ATOM 0 H ASN A 33 -8.477 13.093 -4.607 1.00 0.89 H new ATOM 0 HA ASN A 33 -7.465 14.399 -3.154 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -9.405 15.928 -3.528 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -10.243 15.182 -2.182 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -10.256 17.006 -0.837 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -8.774 17.743 -0.218 1.00 2.72 H new ATOM 523 N ASN A 34 -9.389 13.074 -0.794 1.00 0.73 N ATOM 524 CA ASN A 34 -9.334 12.351 0.474 1.00 0.86 C ATOM 525 C ASN A 34 -9.310 10.852 0.224 1.00 0.88 C ATOM 526 O ASN A 34 -8.961 10.068 1.099 1.00 1.22 O ATOM 527 CB ASN A 34 -10.528 12.701 1.364 1.00 1.01 C ATOM 528 CG ASN A 34 -10.223 13.822 2.337 1.00 1.35 C ATOM 529 OD1 ASN A 34 -10.454 14.992 2.043 1.00 1.84 O ATOM 530 ND2 ASN A 34 -9.715 13.474 3.508 1.00 1.83 N ATOM 0 H ASN A 34 -10.331 13.308 -1.106 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.420 12.650 0.987 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -11.371 12.989 0.737 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -10.833 11.815 1.921 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -9.501 14.189 4.204 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -9.537 12.491 3.715 1.00 1.83 H new ATOM 537 N GLU A 35 -9.698 10.462 -0.974 1.00 0.64 N ATOM 538 CA GLU A 35 -9.725 9.061 -1.351 1.00 0.62 C ATOM 539 C GLU A 35 -8.431 8.694 -2.066 1.00 0.57 C ATOM 540 O GLU A 35 -8.114 9.266 -3.113 1.00 0.59 O ATOM 541 CB GLU A 35 -10.927 8.806 -2.257 1.00 0.68 C ATOM 542 CG GLU A 35 -11.444 7.379 -2.231 1.00 1.01 C ATOM 543 CD GLU A 35 -12.763 7.247 -2.962 1.00 1.41 C ATOM 544 OE1 GLU A 35 -13.799 7.685 -2.419 1.00 2.25 O ATOM 545 OE2 GLU A 35 -12.771 6.690 -4.082 1.00 1.47 O ATOM 0 H GLU A 35 -10.001 11.101 -1.709 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.815 8.441 -0.459 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -11.735 9.477 -1.965 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.655 9.062 -3.281 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -10.708 6.717 -2.687 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.567 7.055 -1.197 1.00 1.01 H new ATOM 552 N ILE A 36 -7.676 7.757 -1.498 1.00 0.52 N ATOM 553 CA ILE A 36 -6.420 7.331 -2.101 1.00 0.48 C ATOM 554 C ILE A 36 -6.512 5.894 -2.600 1.00 0.46 C ATOM 555 O ILE A 36 -6.822 4.973 -1.841 1.00 0.53 O ATOM 556 CB ILE A 36 -5.218 7.475 -1.137 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.497 6.813 0.215 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.876 8.944 -0.946 1.00 0.51 C ATOM 559 CD1 ILE A 36 -4.260 6.640 1.071 1.00 0.51 C ATOM 0 H ILE A 36 -7.912 7.282 -0.627 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.246 7.996 -2.947 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.366 6.963 -1.585 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -6.225 7.413 0.761 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.951 5.837 0.045 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -4.029 9.035 -0.266 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.618 9.386 -1.909 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.736 9.466 -0.526 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.533 6.165 2.013 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.538 6.015 0.545 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.817 7.616 1.272 1.00 0.51 H new ATOM 571 N ASN A 37 -6.248 5.717 -3.883 1.00 0.44 N ATOM 572 CA ASN A 37 -6.305 4.406 -4.512 1.00 0.46 C ATOM 573 C ASN A 37 -4.910 3.845 -4.733 1.00 0.42 C ATOM 574 O ASN A 37 -4.107 4.422 -5.473 1.00 0.50 O ATOM 575 CB ASN A 37 -7.047 4.499 -5.848 1.00 0.54 C ATOM 576 CG ASN A 37 -7.106 3.179 -6.591 1.00 0.86 C ATOM 577 OD1 ASN A 37 -8.007 2.371 -6.375 1.00 1.82 O ATOM 578 ND2 ASN A 37 -6.152 2.955 -7.485 1.00 0.98 N ATOM 0 H ASN A 37 -5.989 6.473 -4.517 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.843 3.732 -3.845 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -8.062 4.853 -5.669 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.557 5.241 -6.478 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -6.149 2.088 -8.022 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.421 3.650 -7.636 1.00 0.98 H new ATOM 585 N ILE A 38 -4.625 2.728 -4.082 1.00 0.36 N ATOM 586 CA ILE A 38 -3.338 2.071 -4.227 1.00 0.33 C ATOM 587 C ILE A 38 -3.289 1.367 -5.576 1.00 0.41 C ATOM 588 O ILE A 38 -4.110 0.486 -5.857 1.00 0.53 O ATOM 589 CB ILE A 38 -3.079 1.060 -3.088 1.00 0.36 C ATOM 590 CG1 ILE A 38 -3.025 1.787 -1.742 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.782 0.300 -3.334 1.00 0.37 C ATOM 592 CD1 ILE A 38 -3.140 0.865 -0.549 1.00 0.69 C ATOM 0 H ILE A 38 -5.270 2.258 -3.447 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.556 2.828 -4.171 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.898 0.342 -3.066 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -2.088 2.339 -1.674 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.830 2.520 -1.702 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.615 -0.408 -2.522 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.850 -0.240 -4.278 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.951 1.004 -3.378 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -3.094 1.451 0.369 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -4.090 0.331 -0.592 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -2.320 0.147 -0.563 1.00 0.69 H new ATOM 604 N ASP A 39 -2.339 1.771 -6.407 1.00 0.52 N ATOM 605 CA ASP A 39 -2.198 1.212 -7.744 1.00 0.73 C ATOM 606 C ASP A 39 -1.532 -0.157 -7.705 1.00 0.50 C ATOM 607 O ASP A 39 -2.120 -1.147 -8.141 1.00 0.64 O ATOM 608 CB ASP A 39 -1.391 2.152 -8.638 1.00 1.08 C ATOM 609 CG ASP A 39 -1.838 2.099 -10.085 1.00 1.73 C ATOM 610 OD1 ASP A 39 -1.423 1.162 -10.799 1.00 2.16 O ATOM 611 OD2 ASP A 39 -2.611 2.984 -10.515 1.00 2.47 O ATOM 0 H ASP A 39 -1.651 2.488 -6.177 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.200 1.096 -8.158 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -1.487 3.173 -8.268 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -0.335 1.889 -8.577 1.00 1.08 H new ATOM 616 N HIS A 40 -0.312 -0.212 -7.181 1.00 0.37 N ATOM 617 CA HIS A 40 0.417 -1.472 -7.101 1.00 0.44 C ATOM 618 C HIS A 40 1.262 -1.554 -5.834 1.00 0.39 C ATOM 619 O HIS A 40 1.392 -0.577 -5.092 1.00 0.42 O ATOM 620 CB HIS A 40 1.295 -1.683 -8.350 1.00 0.72 C ATOM 621 CG HIS A 40 2.426 -0.699 -8.525 1.00 0.72 C ATOM 622 ND1 HIS A 40 2.565 0.095 -9.644 1.00 1.59 N ATOM 623 CD2 HIS A 40 3.491 -0.409 -7.734 1.00 0.92 C ATOM 624 CE1 HIS A 40 3.660 0.824 -9.533 1.00 2.12 C ATOM 625 NE2 HIS A 40 4.238 0.537 -8.385 1.00 1.64 N ATOM 0 H HIS A 40 0.189 0.594 -6.808 1.00 0.37 H new ATOM 0 HA HIS A 40 -0.323 -2.271 -7.060 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.714 -2.688 -8.312 1.00 0.72 H new ATOM 0 HB3 HIS A 40 0.657 -1.637 -9.233 1.00 0.72 H new ATOM 0 HD2 HIS A 40 3.709 -0.844 -6.770 1.00 0.92 H new ATOM 0 HE1 HIS A 40 4.021 1.536 -10.261 1.00 2.12 H new ATOM 0 HE2 HIS A 40 5.102 0.952 -8.037 1.00 1.64 H new ATOM 634 N THR A 41 1.839 -2.726 -5.607 1.00 0.41 N ATOM 635 CA THR A 41 2.683 -2.978 -4.449 1.00 0.45 C ATOM 636 C THR A 41 3.757 -3.995 -4.821 1.00 0.54 C ATOM 637 O THR A 41 3.486 -5.194 -4.894 1.00 0.73 O ATOM 638 CB THR A 41 1.852 -3.512 -3.264 1.00 0.48 C ATOM 639 OG1 THR A 41 0.614 -2.789 -3.176 1.00 0.48 O ATOM 640 CG2 THR A 41 2.618 -3.374 -1.954 1.00 0.55 C ATOM 0 H THR A 41 1.734 -3.531 -6.224 1.00 0.41 H new ATOM 0 HA THR A 41 3.146 -2.039 -4.145 1.00 0.45 H new ATOM 0 HB THR A 41 1.650 -4.569 -3.436 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.556 -2.344 -2.305 1.00 0.48 H new ATOM 0 HG21 THR A 41 2.010 -3.758 -1.135 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.546 -3.942 -2.014 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.846 -2.323 -1.775 1.00 0.55 H new ATOM 648 N GLY A 42 4.967 -3.516 -5.075 1.00 0.55 N ATOM 649 CA GLY A 42 6.040 -4.408 -5.469 1.00 0.66 C ATOM 650 C GLY A 42 7.116 -4.544 -4.417 1.00 0.64 C ATOM 651 O GLY A 42 7.602 -3.548 -3.881 1.00 0.70 O ATOM 0 H GLY A 42 5.224 -2.531 -5.016 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.625 -5.393 -5.685 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.488 -4.042 -6.393 1.00 0.66 H new ATOM 655 N VAL A 43 7.483 -5.785 -4.126 1.00 0.67 N ATOM 656 CA VAL A 43 8.508 -6.089 -3.135 1.00 0.71 C ATOM 657 C VAL A 43 9.432 -7.181 -3.664 1.00 0.74 C ATOM 658 O VAL A 43 8.964 -8.192 -4.184 1.00 0.82 O ATOM 659 CB VAL A 43 7.892 -6.566 -1.796 1.00 0.79 C ATOM 660 CG1 VAL A 43 8.983 -6.915 -0.790 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.950 -5.519 -1.222 1.00 0.80 C ATOM 0 H VAL A 43 7.079 -6.610 -4.570 1.00 0.67 H new ATOM 0 HA VAL A 43 9.066 -5.170 -2.952 1.00 0.71 H new ATOM 0 HB VAL A 43 7.312 -7.467 -1.999 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.526 -7.247 0.142 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.607 -7.713 -1.192 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.597 -6.035 -0.599 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.533 -5.881 -0.282 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.499 -4.595 -1.043 1.00 0.80 H new ATOM 0 HG23 VAL A 43 6.142 -5.330 -1.929 1.00 0.80 H new ATOM 671 N SER A 44 10.734 -6.968 -3.552 1.00 0.82 N ATOM 672 CA SER A 44 11.705 -7.953 -4.005 1.00 0.90 C ATOM 673 C SER A 44 11.785 -9.105 -3.008 1.00 1.01 C ATOM 674 O SER A 44 11.943 -8.886 -1.806 1.00 1.32 O ATOM 675 CB SER A 44 13.081 -7.302 -4.165 1.00 1.27 C ATOM 676 OG SER A 44 12.973 -6.022 -4.764 1.00 1.83 O ATOM 0 H SER A 44 11.143 -6.123 -3.152 1.00 0.82 H new ATOM 0 HA SER A 44 11.386 -8.343 -4.971 1.00 0.90 H new ATOM 0 HB2 SER A 44 13.560 -7.211 -3.190 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.720 -7.940 -4.776 1.00 1.27 H new ATOM 0 HG SER A 44 13.865 -5.626 -4.854 1.00 1.83 H new ATOM 682 N ASP A 45 11.665 -10.328 -3.499 1.00 1.10 N ATOM 683 CA ASP A 45 11.730 -11.493 -2.632 1.00 1.45 C ATOM 684 C ASP A 45 13.176 -11.912 -2.428 1.00 1.27 C ATOM 685 O ASP A 45 13.740 -12.680 -3.208 1.00 1.73 O ATOM 686 CB ASP A 45 10.917 -12.656 -3.198 1.00 2.05 C ATOM 687 CG ASP A 45 10.946 -13.865 -2.286 1.00 2.57 C ATOM 688 OD1 ASP A 45 10.724 -13.703 -1.066 1.00 2.90 O ATOM 689 OD2 ASP A 45 11.181 -14.987 -2.784 1.00 3.12 O ATOM 0 H ASP A 45 11.523 -10.539 -4.487 1.00 1.10 H new ATOM 0 HA ASP A 45 11.297 -11.221 -1.670 1.00 1.45 H new ATOM 0 HB2 ASP A 45 9.885 -12.339 -3.347 1.00 2.05 H new ATOM 0 HB3 ASP A 45 11.310 -12.931 -4.177 1.00 2.05 H new ATOM 694 N GLU A 46 13.775 -11.380 -1.384 1.00 1.36 N ATOM 695 CA GLU A 46 15.161 -11.665 -1.061 1.00 1.66 C ATOM 696 C GLU A 46 15.291 -12.954 -0.251 1.00 1.96 C ATOM 697 O GLU A 46 16.045 -13.855 -0.627 1.00 2.52 O ATOM 698 CB GLU A 46 15.759 -10.490 -0.288 1.00 2.19 C ATOM 699 CG GLU A 46 15.676 -9.164 -1.032 1.00 2.65 C ATOM 700 CD GLU A 46 16.040 -7.982 -0.162 1.00 3.34 C ATOM 701 OE1 GLU A 46 17.237 -7.634 -0.099 1.00 3.80 O ATOM 702 OE2 GLU A 46 15.134 -7.400 0.470 1.00 3.79 O ATOM 0 H GLU A 46 13.318 -10.739 -0.735 1.00 1.36 H new ATOM 0 HA GLU A 46 15.709 -11.804 -1.993 1.00 1.66 H new ATOM 0 HB2 GLU A 46 15.242 -10.394 0.667 1.00 2.19 H new ATOM 0 HB3 GLU A 46 16.804 -10.707 -0.065 1.00 2.19 H new ATOM 0 HG2 GLU A 46 16.342 -9.194 -1.894 1.00 2.65 H new ATOM 0 HG3 GLU A 46 14.664 -9.030 -1.415 1.00 2.65 H new ATOM 709 N LEU A 47 14.552 -13.051 0.850 1.00 2.08 N ATOM 710 CA LEU A 47 14.619 -14.234 1.702 1.00 2.74 C ATOM 711 C LEU A 47 13.238 -14.638 2.221 1.00 2.84 C ATOM 712 O LEU A 47 13.120 -15.468 3.124 1.00 3.61 O ATOM 713 CB LEU A 47 15.575 -13.997 2.880 1.00 3.16 C ATOM 714 CG LEU A 47 15.149 -12.913 3.881 1.00 3.70 C ATOM 715 CD1 LEU A 47 15.662 -13.247 5.273 1.00 4.35 C ATOM 716 CD2 LEU A 47 15.672 -11.551 3.444 1.00 4.47 C ATOM 0 H LEU A 47 13.905 -12.331 1.172 1.00 2.08 H new ATOM 0 HA LEU A 47 15.000 -15.053 1.091 1.00 2.74 H new ATOM 0 HB2 LEU A 47 15.695 -14.936 3.420 1.00 3.16 H new ATOM 0 HB3 LEU A 47 16.554 -13.731 2.481 1.00 3.16 H new ATOM 0 HG LEU A 47 14.060 -12.878 3.908 1.00 3.70 H new ATOM 0 HD11 LEU A 47 15.352 -12.470 5.971 1.00 4.35 H new ATOM 0 HD12 LEU A 47 15.252 -14.205 5.592 1.00 4.35 H new ATOM 0 HD13 LEU A 47 16.750 -13.306 5.255 1.00 4.35 H new ATOM 0 HD21 LEU A 47 15.361 -10.794 4.164 1.00 4.47 H new ATOM 0 HD22 LEU A 47 16.760 -11.578 3.393 1.00 4.47 H new ATOM 0 HD23 LEU A 47 15.269 -11.305 2.462 1.00 4.47 H new ATOM 728 N GLY A 48 12.195 -14.045 1.660 1.00 2.46 N ATOM 729 CA GLY A 48 10.846 -14.364 2.086 1.00 3.19 C ATOM 730 C GLY A 48 10.366 -13.484 3.221 1.00 3.20 C ATOM 731 O GLY A 48 9.239 -12.984 3.192 1.00 3.86 O ATOM 0 H GLY A 48 12.257 -13.349 0.917 1.00 2.46 H new ATOM 0 HA2 GLY A 48 10.168 -14.259 1.239 1.00 3.19 H new ATOM 0 HA3 GLY A 48 10.806 -15.407 2.399 1.00 3.19 H new ATOM 735 N GLY A 49 11.219 -13.285 4.217 1.00 2.85 N ATOM 736 CA GLY A 49 10.865 -12.454 5.353 1.00 3.05 C ATOM 737 C GLY A 49 10.995 -10.976 5.045 1.00 2.17 C ATOM 738 O GLY A 49 11.785 -10.269 5.672 1.00 2.73 O ATOM 0 H GLY A 49 12.156 -13.687 4.259 1.00 2.85 H new ATOM 0 HA2 GLY A 49 9.840 -12.672 5.655 1.00 3.05 H new ATOM 0 HA3 GLY A 49 11.506 -12.705 6.198 1.00 3.05 H new ATOM 742 N GLN A 50 10.224 -10.512 4.071 1.00 1.42 N ATOM 743 CA GLN A 50 10.254 -9.115 3.670 1.00 1.52 C ATOM 744 C GLN A 50 9.256 -8.289 4.471 1.00 1.37 C ATOM 745 O GLN A 50 8.096 -8.143 4.083 1.00 2.20 O ATOM 746 CB GLN A 50 9.964 -8.977 2.176 1.00 2.43 C ATOM 747 CG GLN A 50 11.169 -9.261 1.297 1.00 2.96 C ATOM 748 CD GLN A 50 11.314 -10.725 0.930 1.00 3.04 C ATOM 749 OE1 GLN A 50 12.404 -11.285 1.010 1.00 3.39 O ATOM 750 NE2 GLN A 50 10.226 -11.346 0.496 1.00 3.44 N ATOM 0 H GLN A 50 9.568 -11.087 3.543 1.00 1.42 H new ATOM 0 HA GLN A 50 11.255 -8.735 3.873 1.00 1.52 H new ATOM 0 HB2 GLN A 50 9.158 -9.659 1.906 1.00 2.43 H new ATOM 0 HB3 GLN A 50 9.607 -7.967 1.975 1.00 2.43 H new ATOM 0 HG2 GLN A 50 11.091 -8.671 0.384 1.00 2.96 H new ATOM 0 HG3 GLN A 50 12.071 -8.932 1.813 1.00 2.96 H new ATOM 0 HE21 GLN A 50 9.339 -10.845 0.445 1.00 3.44 H new ATOM 0 HE22 GLN A 50 10.276 -12.325 0.214 1.00 3.44 H new ATOM 759 N GLY A 51 9.721 -7.744 5.585 1.00 1.01 N ATOM 760 CA GLY A 51 8.869 -6.929 6.426 1.00 1.11 C ATOM 761 C GLY A 51 8.647 -5.553 5.834 1.00 0.88 C ATOM 762 O GLY A 51 7.782 -4.802 6.288 1.00 0.86 O ATOM 0 H GLY A 51 10.677 -7.852 5.923 1.00 1.01 H new ATOM 0 HA2 GLY A 51 7.908 -7.426 6.561 1.00 1.11 H new ATOM 0 HA3 GLY A 51 9.319 -6.832 7.414 1.00 1.11 H new ATOM 766 N VAL A 52 9.432 -5.232 4.809 1.00 0.80 N ATOM 767 CA VAL A 52 9.336 -3.951 4.121 1.00 0.68 C ATOM 768 C VAL A 52 7.932 -3.721 3.566 1.00 0.58 C ATOM 769 O VAL A 52 7.432 -2.598 3.583 1.00 0.56 O ATOM 770 CB VAL A 52 10.366 -3.847 2.972 1.00 0.70 C ATOM 771 CG1 VAL A 52 11.740 -3.491 3.517 1.00 0.91 C ATOM 772 CG2 VAL A 52 10.428 -5.143 2.173 1.00 1.14 C ATOM 0 H VAL A 52 10.150 -5.852 4.434 1.00 0.80 H new ATOM 0 HA VAL A 52 9.555 -3.180 4.860 1.00 0.68 H new ATOM 0 HB VAL A 52 10.042 -3.052 2.301 1.00 0.70 H new ATOM 0 HG11 VAL A 52 12.451 -3.422 2.694 1.00 0.91 H new ATOM 0 HG12 VAL A 52 11.689 -2.533 4.034 1.00 0.91 H new ATOM 0 HG13 VAL A 52 12.066 -4.263 4.215 1.00 0.91 H new ATOM 0 HG21 VAL A 52 11.160 -5.042 1.372 1.00 1.14 H new ATOM 0 HG22 VAL A 52 10.720 -5.962 2.830 1.00 1.14 H new ATOM 0 HG23 VAL A 52 9.448 -5.354 1.745 1.00 1.14 H new ATOM 782 N GLY A 53 7.297 -4.794 3.093 1.00 0.59 N ATOM 783 CA GLY A 53 5.952 -4.686 2.556 1.00 0.58 C ATOM 784 C GLY A 53 4.969 -4.203 3.604 1.00 0.51 C ATOM 785 O GLY A 53 4.131 -3.341 3.338 1.00 0.50 O ATOM 0 H GLY A 53 7.691 -5.734 3.073 1.00 0.59 H new ATOM 0 HA2 GLY A 53 5.951 -3.997 1.711 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.632 -5.656 2.176 1.00 0.58 H new ATOM 789 N LYS A 54 5.098 -4.746 4.808 1.00 0.52 N ATOM 790 CA LYS A 54 4.233 -4.372 5.918 1.00 0.50 C ATOM 791 C LYS A 54 4.549 -2.952 6.364 1.00 0.48 C ATOM 792 O LYS A 54 3.661 -2.200 6.772 1.00 0.48 O ATOM 793 CB LYS A 54 4.411 -5.337 7.096 1.00 0.59 C ATOM 794 CG LYS A 54 4.051 -6.777 6.771 1.00 0.75 C ATOM 795 CD LYS A 54 3.850 -7.601 8.033 1.00 1.08 C ATOM 796 CE LYS A 54 2.381 -7.696 8.423 1.00 1.49 C ATOM 797 NZ LYS A 54 1.886 -6.461 9.096 1.00 2.02 N ATOM 0 H LYS A 54 5.798 -5.451 5.041 1.00 0.52 H new ATOM 0 HA LYS A 54 3.198 -4.425 5.581 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.447 -5.299 7.431 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.794 -4.997 7.928 1.00 0.59 H new ATOM 0 HG2 LYS A 54 3.140 -6.799 6.172 1.00 0.75 H new ATOM 0 HG3 LYS A 54 4.841 -7.223 6.166 1.00 0.75 H new ATOM 0 HD2 LYS A 54 4.250 -8.603 7.879 1.00 1.08 H new ATOM 0 HD3 LYS A 54 4.414 -7.154 8.852 1.00 1.08 H new ATOM 0 HE2 LYS A 54 1.783 -7.884 7.531 1.00 1.49 H new ATOM 0 HE3 LYS A 54 2.239 -8.549 9.087 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 0.962 -6.651 9.534 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 2.564 -6.170 9.829 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 1.787 -5.700 8.395 1.00 2.02 H new ATOM 811 N LYS A 55 5.822 -2.595 6.276 1.00 0.51 N ATOM 812 CA LYS A 55 6.282 -1.269 6.655 1.00 0.54 C ATOM 813 C LYS A 55 5.682 -0.216 5.731 1.00 0.47 C ATOM 814 O LYS A 55 5.338 0.880 6.170 1.00 0.48 O ATOM 815 CB LYS A 55 7.811 -1.213 6.609 1.00 0.65 C ATOM 816 CG LYS A 55 8.439 -0.414 7.741 1.00 1.28 C ATOM 817 CD LYS A 55 8.181 -1.047 9.102 1.00 1.72 C ATOM 818 CE LYS A 55 8.881 -2.390 9.255 1.00 2.30 C ATOM 819 NZ LYS A 55 10.348 -2.238 9.411 1.00 2.57 N ATOM 0 H LYS A 55 6.561 -3.213 5.942 1.00 0.51 H new ATOM 0 HA LYS A 55 5.954 -1.059 7.673 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.202 -2.230 6.637 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.119 -0.779 5.658 1.00 0.65 H new ATOM 0 HG2 LYS A 55 9.514 -0.336 7.576 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.041 0.601 7.732 1.00 1.28 H new ATOM 0 HD2 LYS A 55 8.522 -0.370 9.886 1.00 1.72 H new ATOM 0 HD3 LYS A 55 7.108 -1.181 9.241 1.00 1.72 H new ATOM 0 HE2 LYS A 55 8.477 -2.913 10.122 1.00 2.30 H new ATOM 0 HE3 LYS A 55 8.672 -3.009 8.383 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 10.778 -3.170 9.580 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 10.748 -1.824 8.545 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 10.548 -1.613 10.218 1.00 2.57 H new ATOM 833 N LEU A 56 5.546 -0.566 4.453 1.00 0.46 N ATOM 834 CA LEU A 56 4.978 0.339 3.462 1.00 0.45 C ATOM 835 C LEU A 56 3.543 0.698 3.819 1.00 0.38 C ATOM 836 O LEU A 56 3.198 1.873 3.947 1.00 0.37 O ATOM 837 CB LEU A 56 4.997 -0.300 2.075 1.00 0.54 C ATOM 838 CG LEU A 56 6.378 -0.544 1.472 1.00 0.65 C ATOM 839 CD1 LEU A 56 6.238 -1.150 0.090 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.176 0.747 1.405 1.00 0.85 C ATOM 0 H LEU A 56 5.823 -1.474 4.081 1.00 0.46 H new ATOM 0 HA LEU A 56 5.587 1.243 3.455 1.00 0.45 H new ATOM 0 HB2 LEU A 56 4.472 -1.253 2.128 1.00 0.54 H new ATOM 0 HB3 LEU A 56 4.432 0.338 1.395 1.00 0.54 H new ATOM 0 HG LEU A 56 6.917 -1.241 2.113 1.00 0.65 H new ATOM 0 HD11 LEU A 56 7.227 -1.321 -0.334 1.00 0.86 H new ATOM 0 HD12 LEU A 56 5.704 -2.098 0.161 1.00 0.86 H new ATOM 0 HD13 LEU A 56 5.681 -0.467 -0.552 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.156 0.547 0.972 1.00 0.85 H new ATOM 0 HD22 LEU A 56 6.646 1.470 0.785 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.299 1.151 2.410 1.00 0.85 H new ATOM 852 N LEU A 57 2.715 -0.329 3.984 1.00 0.37 N ATOM 853 CA LEU A 57 1.309 -0.135 4.319 1.00 0.36 C ATOM 854 C LEU A 57 1.157 0.603 5.642 1.00 0.34 C ATOM 855 O LEU A 57 0.262 1.431 5.794 1.00 0.37 O ATOM 856 CB LEU A 57 0.569 -1.475 4.370 1.00 0.43 C ATOM 857 CG LEU A 57 -0.007 -1.950 3.030 1.00 0.72 C ATOM 858 CD1 LEU A 57 1.066 -2.629 2.189 1.00 1.29 C ATOM 859 CD2 LEU A 57 -1.186 -2.885 3.261 1.00 0.71 C ATOM 0 H LEU A 57 2.994 -1.306 3.891 1.00 0.37 H new ATOM 0 HA LEU A 57 0.864 0.476 3.534 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.253 -2.236 4.744 1.00 0.43 H new ATOM 0 HB3 LEU A 57 -0.245 -1.396 5.090 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.362 -1.078 2.480 1.00 0.72 H new ATOM 0 HD11 LEU A 57 0.634 -2.957 1.244 1.00 1.29 H new ATOM 0 HD12 LEU A 57 1.875 -1.925 1.993 1.00 1.29 H new ATOM 0 HD13 LEU A 57 1.459 -3.492 2.727 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -1.584 -3.213 2.301 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.856 -3.752 3.833 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -1.964 -2.360 3.815 1.00 0.71 H new ATOM 871 N LYS A 58 2.042 0.310 6.590 1.00 0.36 N ATOM 872 CA LYS A 58 2.006 0.961 7.896 1.00 0.42 C ATOM 873 C LYS A 58 2.157 2.471 7.741 1.00 0.41 C ATOM 874 O LYS A 58 1.453 3.246 8.392 1.00 0.44 O ATOM 875 CB LYS A 58 3.112 0.414 8.799 1.00 0.50 C ATOM 876 CG LYS A 58 2.602 -0.221 10.087 1.00 0.74 C ATOM 877 CD LYS A 58 1.952 0.798 11.014 1.00 1.10 C ATOM 878 CE LYS A 58 2.950 1.838 11.505 1.00 1.13 C ATOM 879 NZ LYS A 58 2.417 2.633 12.644 1.00 1.39 N ATOM 0 H LYS A 58 2.792 -0.373 6.479 1.00 0.36 H new ATOM 0 HA LYS A 58 1.042 0.749 8.358 1.00 0.42 H new ATOM 0 HB2 LYS A 58 3.687 -0.327 8.244 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.795 1.225 9.051 1.00 0.50 H new ATOM 0 HG2 LYS A 58 1.880 -1.001 9.844 1.00 0.74 H new ATOM 0 HG3 LYS A 58 3.431 -0.704 10.605 1.00 0.74 H new ATOM 0 HD2 LYS A 58 1.136 1.297 10.490 1.00 1.10 H new ATOM 0 HD3 LYS A 58 1.514 0.283 11.869 1.00 1.10 H new ATOM 0 HE2 LYS A 58 3.870 1.340 11.810 1.00 1.13 H new ATOM 0 HE3 LYS A 58 3.207 2.508 10.685 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 3.208 3.032 13.189 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 1.822 3.405 12.280 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 1.848 2.018 13.260 1.00 1.39 H new ATOM 893 N ALA A 59 3.068 2.880 6.866 1.00 0.43 N ATOM 894 CA ALA A 59 3.310 4.295 6.612 1.00 0.48 C ATOM 895 C ALA A 59 2.120 4.923 5.891 1.00 0.44 C ATOM 896 O ALA A 59 1.696 6.033 6.222 1.00 0.47 O ATOM 897 CB ALA A 59 4.580 4.475 5.797 1.00 0.56 C ATOM 0 H ALA A 59 3.653 2.249 6.319 1.00 0.43 H new ATOM 0 HA ALA A 59 3.436 4.801 7.569 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.748 5.536 5.615 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.426 4.063 6.346 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.478 3.955 4.844 1.00 0.56 H new ATOM 903 N VAL A 60 1.580 4.199 4.913 1.00 0.39 N ATOM 904 CA VAL A 60 0.432 4.672 4.146 1.00 0.38 C ATOM 905 C VAL A 60 -0.768 4.892 5.060 1.00 0.37 C ATOM 906 O VAL A 60 -1.383 5.957 5.046 1.00 0.40 O ATOM 907 CB VAL A 60 0.047 3.676 3.027 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.238 4.105 2.331 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.177 3.544 2.019 1.00 0.41 C ATOM 0 H VAL A 60 1.921 3.279 4.633 1.00 0.39 H new ATOM 0 HA VAL A 60 0.718 5.617 3.685 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.125 2.703 3.487 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.485 3.387 1.549 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.050 4.144 3.057 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -1.100 5.091 1.888 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.888 2.839 1.239 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.381 4.517 1.572 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.073 3.181 2.522 1.00 0.41 H new ATOM 919 N VAL A 61 -1.072 3.884 5.869 1.00 0.36 N ATOM 920 CA VAL A 61 -2.196 3.948 6.796 1.00 0.40 C ATOM 921 C VAL A 61 -2.015 5.080 7.807 1.00 0.44 C ATOM 922 O VAL A 61 -2.974 5.772 8.151 1.00 0.49 O ATOM 923 CB VAL A 61 -2.383 2.604 7.542 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.439 2.719 8.633 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.751 1.501 6.559 1.00 0.43 C ATOM 0 H VAL A 61 -0.552 3.007 5.902 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.090 4.147 6.205 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.437 2.349 8.019 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.547 1.759 9.138 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.135 3.477 9.355 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.392 3.004 8.188 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.879 0.562 7.097 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.681 1.760 6.054 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.956 1.391 5.822 1.00 0.43 H new ATOM 935 N GLU A 62 -0.777 5.283 8.253 1.00 0.47 N ATOM 936 CA GLU A 62 -0.475 6.329 9.220 1.00 0.54 C ATOM 937 C GLU A 62 -0.831 7.699 8.654 1.00 0.55 C ATOM 938 O GLU A 62 -1.618 8.441 9.243 1.00 0.61 O ATOM 939 CB GLU A 62 1.006 6.288 9.597 1.00 0.61 C ATOM 940 CG GLU A 62 1.294 6.843 10.978 1.00 1.05 C ATOM 941 CD GLU A 62 0.695 5.994 12.080 1.00 1.17 C ATOM 942 OE1 GLU A 62 0.864 4.759 12.048 1.00 1.53 O ATOM 943 OE2 GLU A 62 0.042 6.558 12.983 1.00 1.76 O ATOM 0 H GLU A 62 0.031 4.735 7.958 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.073 6.155 10.114 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.357 5.257 9.548 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.576 6.854 8.860 1.00 0.61 H new ATOM 0 HG2 GLU A 62 2.372 6.911 11.121 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.899 7.856 11.049 1.00 1.05 H new ATOM 950 N HIS A 63 -0.265 8.015 7.491 1.00 0.54 N ATOM 951 CA HIS A 63 -0.522 9.293 6.836 1.00 0.61 C ATOM 952 C HIS A 63 -1.996 9.423 6.469 1.00 0.61 C ATOM 953 O HIS A 63 -2.569 10.514 6.539 1.00 0.69 O ATOM 954 CB HIS A 63 0.349 9.444 5.584 1.00 0.67 C ATOM 955 CG HIS A 63 0.222 10.787 4.922 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.952 11.894 5.303 1.00 0.85 N ATOM 957 CD2 HIS A 63 -0.569 11.200 3.901 1.00 0.97 C ATOM 958 CE1 HIS A 63 0.615 12.924 4.551 1.00 0.97 C ATOM 959 NE2 HIS A 63 -0.305 12.529 3.694 1.00 1.04 N ATOM 0 H HIS A 63 0.374 7.403 6.984 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.266 10.089 7.536 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.392 9.279 5.855 1.00 0.67 H new ATOM 0 HB3 HIS A 63 0.079 8.668 4.868 1.00 0.67 H new ATOM 0 HD2 HIS A 63 -1.276 10.594 3.353 1.00 0.97 H new ATOM 0 HE1 HIS A 63 1.023 13.921 4.625 1.00 0.97 H new ATOM 0 HE2 HIS A 63 -0.749 13.118 2.990 1.00 1.04 H new ATOM 968 N ALA A 64 -2.601 8.311 6.081 1.00 0.56 N ATOM 969 CA ALA A 64 -4.005 8.296 5.709 1.00 0.62 C ATOM 970 C ALA A 64 -4.879 8.650 6.901 1.00 0.70 C ATOM 971 O ALA A 64 -5.707 9.548 6.821 1.00 0.85 O ATOM 972 CB ALA A 64 -4.394 6.938 5.150 1.00 0.61 C ATOM 0 H ALA A 64 -2.138 7.404 6.016 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.161 9.046 4.934 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.449 6.946 4.877 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -3.792 6.722 4.267 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.220 6.171 5.904 1.00 0.61 H new ATOM 978 N ARG A 65 -4.659 7.968 8.016 1.00 0.69 N ATOM 979 CA ARG A 65 -5.438 8.204 9.227 1.00 0.82 C ATOM 980 C ARG A 65 -5.299 9.650 9.709 1.00 0.85 C ATOM 981 O ARG A 65 -6.286 10.285 10.091 1.00 0.96 O ATOM 982 CB ARG A 65 -5.011 7.233 10.332 1.00 0.89 C ATOM 983 CG ARG A 65 -5.730 7.467 11.647 1.00 1.36 C ATOM 984 CD ARG A 65 -5.927 6.177 12.425 1.00 1.44 C ATOM 985 NE ARG A 65 -7.031 6.298 13.376 1.00 2.20 N ATOM 986 CZ ARG A 65 -8.254 5.816 13.166 1.00 2.25 C ATOM 987 NH1 ARG A 65 -8.513 5.081 12.090 1.00 1.87 N ATOM 988 NH2 ARG A 65 -9.214 6.054 14.054 1.00 3.12 N ATOM 0 H ARG A 65 -3.946 7.245 8.109 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.487 8.031 8.987 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -5.198 6.212 10.001 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -3.937 7.325 10.492 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -5.159 8.172 12.252 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -6.700 7.925 11.453 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -6.127 5.359 11.733 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -5.010 5.927 12.958 1.00 1.44 H new ATOM 0 HE ARG A 65 -6.853 6.782 14.256 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -7.772 4.882 11.418 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -9.453 4.715 11.936 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -9.011 6.603 14.890 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -10.153 5.688 13.900 1.00 3.12 H new ATOM 1002 N GLU A 66 -4.080 10.169 9.664 1.00 0.79 N ATOM 1003 CA GLU A 66 -3.805 11.535 10.105 1.00 0.88 C ATOM 1004 C GLU A 66 -4.486 12.578 9.217 1.00 0.89 C ATOM 1005 O GLU A 66 -4.856 13.654 9.688 1.00 1.00 O ATOM 1006 CB GLU A 66 -2.302 11.793 10.121 1.00 0.90 C ATOM 1007 CG GLU A 66 -1.542 10.961 11.138 1.00 1.05 C ATOM 1008 CD GLU A 66 -0.087 11.364 11.243 1.00 1.33 C ATOM 1009 OE1 GLU A 66 0.636 11.271 10.228 1.00 1.82 O ATOM 1010 OE2 GLU A 66 0.342 11.787 12.339 1.00 1.38 O ATOM 0 H GLU A 66 -3.261 9.665 9.326 1.00 0.79 H new ATOM 0 HA GLU A 66 -4.212 11.632 11.112 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -1.899 11.592 9.128 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -2.127 12.849 10.328 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -2.016 11.064 12.114 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -1.605 9.908 10.862 1.00 1.05 H new ATOM 1017 N ASN A 67 -4.656 12.259 7.940 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.271 13.192 6.997 1.00 0.87 C ATOM 1019 C ASN A 67 -6.708 12.798 6.671 1.00 0.89 C ATOM 1020 O ASN A 67 -7.316 13.361 5.762 1.00 0.97 O ATOM 1021 CB ASN A 67 -4.441 13.269 5.710 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.228 14.169 5.850 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -3.270 15.348 5.498 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -2.140 13.625 6.374 1.00 1.09 N ATOM 0 H ASN A 67 -4.379 11.366 7.532 1.00 0.82 H new ATOM 0 HA ASN A 67 -5.294 14.174 7.470 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -4.115 12.267 5.432 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.069 13.636 4.898 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -1.298 14.187 6.498 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -2.144 12.644 6.654 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.237 11.831 7.421 1.00 0.88 N ATOM 1032 CA ASN A 68 -8.607 11.341 7.232 1.00 0.94 C ATOM 1033 C ASN A 68 -8.826 10.888 5.789 1.00 0.87 C ATOM 1034 O ASN A 68 -9.834 11.212 5.156 1.00 0.94 O ATOM 1035 CB ASN A 68 -9.627 12.420 7.622 1.00 1.10 C ATOM 1036 CG ASN A 68 -10.960 11.835 8.057 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -11.867 11.642 7.247 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -11.092 11.556 9.344 1.00 2.18 N ATOM 0 H ASN A 68 -6.732 11.365 8.175 1.00 0.88 H new ATOM 0 HA ASN A 68 -8.753 10.480 7.885 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -9.219 13.025 8.432 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -9.786 13.087 6.775 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -11.968 11.167 9.694 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -10.318 11.730 9.985 1.00 2.18 H new ATOM 1045 N LEU A 69 -7.865 10.144 5.269 1.00 0.78 N ATOM 1046 CA LEU A 69 -7.933 9.645 3.908 1.00 0.73 C ATOM 1047 C LEU A 69 -8.566 8.259 3.874 1.00 0.70 C ATOM 1048 O LEU A 69 -8.372 7.449 4.782 1.00 0.70 O ATOM 1049 CB LEU A 69 -6.534 9.590 3.281 1.00 0.66 C ATOM 1050 CG LEU A 69 -5.742 10.902 3.316 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -4.359 10.707 2.712 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -6.488 12.007 2.583 1.00 0.77 C ATOM 0 H LEU A 69 -7.022 9.871 5.774 1.00 0.78 H new ATOM 0 HA LEU A 69 -8.553 10.331 3.330 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -5.955 8.823 3.795 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -6.633 9.273 2.243 1.00 0.66 H new ATOM 0 HG LEU A 69 -5.629 11.200 4.358 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -3.811 11.649 2.745 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -3.817 9.952 3.281 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.457 10.381 1.677 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -5.905 12.927 2.622 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -6.638 11.717 1.543 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -7.456 12.170 3.058 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.332 8.001 2.827 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.988 6.718 2.647 1.00 0.70 C ATOM 1066 C LYS A 70 -9.082 5.814 1.829 1.00 0.62 C ATOM 1067 O LYS A 70 -8.623 6.204 0.753 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.337 6.912 1.957 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.358 7.628 2.826 1.00 0.80 C ATOM 1070 CD LYS A 70 -13.697 7.782 2.124 1.00 1.70 C ATOM 1071 CE LYS A 70 -13.588 8.660 0.888 1.00 1.93 C ATOM 1072 NZ LYS A 70 -14.906 9.232 0.495 1.00 3.05 N ATOM 0 H LYS A 70 -9.516 8.672 2.081 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.173 6.254 3.616 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.189 7.480 1.039 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.734 5.938 1.669 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -12.497 7.073 3.754 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -11.976 8.612 3.098 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -14.074 6.799 1.840 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -14.422 8.214 2.814 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -12.883 9.469 1.079 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -13.185 8.075 0.061 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -14.789 9.824 -0.352 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -15.572 8.460 0.288 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -15.279 9.811 1.274 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.830 4.615 2.326 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.925 3.697 1.648 1.00 0.57 C ATOM 1088 C ILE A 71 -8.648 2.644 0.817 1.00 0.56 C ATOM 1089 O ILE A 71 -9.477 1.879 1.325 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.994 2.984 2.652 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -6.222 4.011 3.482 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -6.029 2.058 1.920 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -5.264 3.391 4.471 1.00 0.86 C ATOM 0 H ILE A 71 -9.235 4.254 3.190 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.339 4.318 0.970 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.606 2.382 3.324 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.665 4.664 2.810 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -6.932 4.638 4.021 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.380 1.564 2.643 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.594 1.308 1.367 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.422 2.640 1.226 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.752 4.178 5.024 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -5.817 2.760 5.167 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -4.531 2.787 3.937 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.327 2.628 -0.470 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.867 1.657 -1.404 1.00 0.54 C ATOM 1107 C ILE A 72 -7.717 1.084 -2.224 1.00 0.50 C ATOM 1108 O ILE A 72 -7.015 1.816 -2.922 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.936 2.259 -2.346 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.581 3.696 -2.744 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.304 2.219 -1.685 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.353 4.203 -3.942 1.00 0.99 C ATOM 0 H ILE A 72 -7.681 3.293 -0.895 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.365 0.877 -0.828 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.962 1.655 -3.253 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.768 4.355 -1.896 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.514 3.751 -2.961 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -12.046 2.646 -2.359 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.569 1.186 -1.460 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.279 2.796 -0.761 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -10.049 5.226 -4.165 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.147 3.568 -4.803 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.420 4.182 -3.723 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.500 -0.216 -2.121 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.408 -0.853 -2.842 1.00 0.43 C ATOM 1126 C ALA A 73 -6.905 -1.663 -4.026 1.00 0.43 C ATOM 1127 O ALA A 73 -7.931 -2.337 -3.943 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.604 -1.739 -1.905 1.00 0.50 C ATOM 0 H ALA A 73 -8.060 -0.849 -1.550 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.768 -0.061 -3.230 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.791 -2.209 -2.458 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.192 -1.135 -1.097 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.252 -2.510 -1.488 1.00 0.50 H new ATOM 1134 N SER A 74 -6.169 -1.587 -5.126 1.00 0.48 N ATOM 1135 CA SER A 74 -6.517 -2.325 -6.328 1.00 0.53 C ATOM 1136 C SER A 74 -5.801 -3.673 -6.339 1.00 0.46 C ATOM 1137 O SER A 74 -6.311 -4.659 -6.876 1.00 0.55 O ATOM 1138 CB SER A 74 -6.136 -1.520 -7.569 1.00 0.69 C ATOM 1139 OG SER A 74 -6.349 -0.131 -7.364 1.00 0.94 O ATOM 0 H SER A 74 -5.325 -1.020 -5.209 1.00 0.48 H new ATOM 0 HA SER A 74 -7.594 -2.496 -6.337 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.089 -1.698 -7.814 1.00 0.69 H new ATOM 0 HB3 SER A 74 -6.725 -1.859 -8.421 1.00 0.69 H new ATOM 0 HG SER A 74 -5.624 0.234 -6.815 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.611 -3.699 -5.749 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.816 -4.913 -5.673 1.00 0.48 C ATOM 1147 C CYS A 75 -4.423 -5.886 -4.669 1.00 0.45 C ATOM 1148 O CYS A 75 -4.691 -5.521 -3.526 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.376 -4.572 -5.275 1.00 0.59 C ATOM 1150 SG CYS A 75 -2.169 -2.900 -4.618 1.00 1.31 S ATOM 0 H CYS A 75 -4.176 -2.885 -5.314 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.810 -5.388 -6.654 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.037 -5.289 -4.527 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -1.732 -4.691 -6.146 1.00 0.59 H new ATOM 0 HG CYS A 75 -1.024 -2.812 -4.008 1.00 1.31 H new ATOM 1156 N SER A 76 -4.628 -7.123 -5.105 1.00 0.57 N ATOM 1157 CA SER A 76 -5.205 -8.157 -4.260 1.00 0.64 C ATOM 1158 C SER A 76 -4.336 -8.414 -3.027 1.00 0.61 C ATOM 1159 O SER A 76 -4.843 -8.766 -1.959 1.00 0.61 O ATOM 1160 CB SER A 76 -5.371 -9.439 -5.073 1.00 0.82 C ATOM 1161 OG SER A 76 -5.872 -9.140 -6.368 1.00 1.12 O ATOM 0 H SER A 76 -4.400 -7.435 -6.049 1.00 0.57 H new ATOM 0 HA SER A 76 -6.180 -7.819 -3.910 1.00 0.64 H new ATOM 0 HB2 SER A 76 -4.413 -9.952 -5.156 1.00 0.82 H new ATOM 0 HB3 SER A 76 -6.052 -10.118 -4.560 1.00 0.82 H new ATOM 0 HG SER A 76 -5.972 -9.970 -6.880 1.00 1.12 H new ATOM 1167 N PHE A 77 -3.029 -8.229 -3.179 1.00 0.63 N ATOM 1168 CA PHE A 77 -2.095 -8.426 -2.080 1.00 0.62 C ATOM 1169 C PHE A 77 -2.318 -7.381 -0.989 1.00 0.55 C ATOM 1170 O PHE A 77 -2.620 -7.721 0.158 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.649 -8.357 -2.585 1.00 0.68 C ATOM 1172 CG PHE A 77 0.379 -8.470 -1.491 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.634 -9.691 -0.890 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.083 -7.355 -1.058 1.00 0.77 C ATOM 1175 CE1 PHE A 77 1.569 -9.799 0.121 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.021 -7.459 -0.048 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.262 -8.683 0.542 1.00 0.95 C ATOM 0 H PHE A 77 -2.593 -7.942 -4.055 1.00 0.63 H new ATOM 0 HA PHE A 77 -2.273 -9.415 -1.657 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -0.487 -9.157 -3.308 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.502 -7.415 -3.114 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.096 -10.569 -1.215 1.00 0.83 H new ATOM 0 HD2 PHE A 77 0.896 -6.395 -1.516 1.00 0.77 H new ATOM 0 HE1 PHE A 77 1.758 -10.757 0.582 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.564 -6.584 0.279 1.00 0.87 H new ATOM 0 HZ PHE A 77 2.993 -8.767 1.333 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.187 -6.112 -1.358 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.364 -5.014 -0.415 1.00 0.46 C ATOM 1189 C ALA A 78 -3.789 -4.982 0.125 1.00 0.44 C ATOM 1190 O ALA A 78 -4.012 -4.686 1.299 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.015 -3.688 -1.075 1.00 0.47 C ATOM 0 H ALA A 78 -1.958 -5.817 -2.307 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.688 -5.175 0.425 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.152 -2.878 -0.359 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -0.977 -3.708 -1.406 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.666 -3.527 -1.934 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.746 -5.304 -0.734 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.149 -5.321 -0.345 1.00 0.47 C ATOM 1199 C LYS A 79 -6.375 -6.313 0.786 1.00 0.52 C ATOM 1200 O LYS A 79 -7.007 -5.990 1.788 1.00 0.55 O ATOM 1201 CB LYS A 79 -7.033 -5.689 -1.537 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.525 -5.586 -1.255 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.340 -6.328 -2.301 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.834 -6.120 -2.102 1.00 1.11 C ATOM 1205 NZ LYS A 79 -11.277 -6.460 -0.722 1.00 1.27 N ATOM 0 H LYS A 79 -4.576 -5.558 -1.707 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.418 -4.322 -0.001 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.786 -5.037 -2.375 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.802 -6.708 -1.847 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.739 -5.995 -0.268 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.822 -4.537 -1.237 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -9.054 -5.985 -3.295 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -9.111 -7.393 -2.253 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -11.085 -5.081 -2.315 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -11.382 -6.733 -2.818 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -12.255 -6.812 -0.748 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -10.655 -7.195 -0.329 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -11.230 -5.611 -0.123 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.824 -7.513 0.630 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.974 -8.557 1.637 1.00 0.64 C ATOM 1221 C HIS A 80 -5.270 -8.178 2.935 1.00 0.60 C ATOM 1222 O HIS A 80 -5.693 -8.576 4.020 1.00 0.60 O ATOM 1223 CB HIS A 80 -5.435 -9.894 1.126 1.00 0.77 C ATOM 1224 CG HIS A 80 -5.643 -11.019 2.092 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -6.872 -11.320 2.633 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -4.768 -11.900 2.634 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -6.746 -12.336 3.465 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -5.481 -12.705 3.482 1.00 1.13 N ATOM 0 H HIS A 80 -5.271 -7.786 -0.182 1.00 0.56 H new ATOM 0 HA HIS A 80 -7.040 -8.662 1.838 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -5.922 -10.139 0.182 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -4.370 -9.794 0.918 1.00 0.77 H new ATOM 0 HD1 HIS A 80 -7.744 -10.834 2.424 1.00 1.09 H new ATOM 0 HD2 HIS A 80 -3.708 -11.957 2.435 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -7.544 -12.788 4.035 1.00 1.21 H new ATOM 1237 N MET A 81 -4.192 -7.420 2.823 1.00 0.58 N ATOM 1238 CA MET A 81 -3.451 -6.991 4.001 1.00 0.59 C ATOM 1239 C MET A 81 -4.312 -6.071 4.855 1.00 0.54 C ATOM 1240 O MET A 81 -4.272 -6.128 6.085 1.00 0.58 O ATOM 1241 CB MET A 81 -2.160 -6.277 3.604 1.00 0.64 C ATOM 1242 CG MET A 81 -1.065 -7.212 3.119 1.00 1.25 C ATOM 1243 SD MET A 81 0.575 -6.466 3.210 1.00 1.51 S ATOM 1244 CE MET A 81 0.704 -6.135 4.966 1.00 1.09 C ATOM 0 H MET A 81 -3.811 -7.090 1.936 1.00 0.58 H new ATOM 0 HA MET A 81 -3.189 -7.877 4.580 1.00 0.59 H new ATOM 0 HB2 MET A 81 -2.382 -5.555 2.818 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.790 -5.713 4.460 1.00 0.64 H new ATOM 0 HG2 MET A 81 -1.079 -8.123 3.717 1.00 1.25 H new ATOM 0 HG3 MET A 81 -1.271 -7.503 2.089 1.00 1.25 H new ATOM 0 HE1 MET A 81 1.725 -5.839 5.206 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.020 -5.330 5.236 1.00 1.09 H new ATOM 0 HE3 MET A 81 0.445 -7.034 5.526 1.00 1.09 H new ATOM 1254 N LEU A 82 -5.106 -5.247 4.190 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.994 -4.318 4.870 1.00 0.51 C ATOM 1256 C LEU A 82 -7.172 -5.063 5.495 1.00 0.56 C ATOM 1257 O LEU A 82 -7.827 -4.558 6.405 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.497 -3.260 3.886 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.402 -2.431 3.206 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.944 -1.753 1.957 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.836 -1.397 4.168 1.00 0.49 C ATOM 0 H LEU A 82 -5.153 -5.203 3.172 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.438 -3.824 5.667 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -7.088 -3.755 3.115 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -7.167 -2.583 4.416 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.597 -3.104 2.912 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -5.152 -1.169 1.488 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -6.300 -2.510 1.258 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.768 -1.094 2.229 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -4.060 -0.819 3.666 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.633 -0.729 4.494 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.409 -1.902 5.035 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.434 -6.268 4.993 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.522 -7.101 5.502 1.00 0.70 C ATOM 1275 C GLU A 83 -8.057 -7.894 6.717 1.00 0.68 C ATOM 1276 O GLU A 83 -8.794 -8.054 7.694 1.00 0.72 O ATOM 1277 CB GLU A 83 -9.004 -8.089 4.433 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.349 -7.458 3.096 1.00 1.15 C ATOM 1279 CD GLU A 83 -9.500 -8.489 1.994 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -8.934 -9.598 2.123 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -10.190 -8.202 0.992 1.00 1.45 O ATOM 0 H GLU A 83 -6.905 -6.691 4.230 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.342 -6.438 5.778 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -8.230 -8.840 4.276 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -9.883 -8.612 4.810 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -10.277 -6.894 3.192 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -8.570 -6.747 2.821 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.832 -8.402 6.634 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.248 -9.200 7.706 1.00 0.69 C ATOM 1290 C LYS A 84 -5.988 -8.348 8.943 1.00 0.68 C ATOM 1291 O LYS A 84 -6.275 -8.767 10.063 1.00 0.67 O ATOM 1292 CB LYS A 84 -4.946 -9.849 7.226 1.00 0.76 C ATOM 1293 CG LYS A 84 -4.468 -11.002 8.101 1.00 0.99 C ATOM 1294 CD LYS A 84 -3.205 -11.640 7.541 1.00 1.43 C ATOM 1295 CE LYS A 84 -2.862 -12.944 8.252 1.00 1.94 C ATOM 1296 NZ LYS A 84 -2.462 -12.721 9.665 1.00 2.33 N ATOM 0 H LYS A 84 -6.220 -8.274 5.828 1.00 0.67 H new ATOM 0 HA LYS A 84 -6.958 -9.981 7.977 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -5.087 -10.213 6.208 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.166 -9.089 7.187 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -4.277 -10.639 9.111 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -5.254 -11.753 8.176 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -3.337 -11.831 6.476 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -2.372 -10.943 7.639 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -3.723 -13.611 8.220 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -2.052 -13.444 7.721 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -2.303 -13.638 10.130 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -1.586 -12.162 9.694 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -3.217 -12.207 10.163 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.446 -7.156 8.736 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.155 -6.253 9.840 1.00 0.96 C ATOM 1312 C GLU A 85 -6.404 -5.468 10.225 1.00 0.93 C ATOM 1313 O GLU A 85 -6.867 -4.606 9.479 1.00 0.86 O ATOM 1314 CB GLU A 85 -4.014 -5.302 9.464 1.00 1.07 C ATOM 1315 CG GLU A 85 -3.565 -4.401 10.603 1.00 1.07 C ATOM 1316 CD GLU A 85 -3.453 -5.138 11.918 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -2.474 -5.899 12.090 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -4.334 -4.957 12.785 1.00 1.60 O ATOM 0 H GLU A 85 -5.199 -6.792 7.815 1.00 0.84 H new ATOM 0 HA GLU A 85 -4.841 -6.843 10.701 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.162 -5.889 9.121 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.332 -4.682 8.626 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -2.599 -3.961 10.354 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -4.272 -3.578 10.711 1.00 1.07 H new ATOM 1325 N ASP A 86 -6.942 -5.770 11.401 1.00 1.07 N ATOM 1326 CA ASP A 86 -8.144 -5.108 11.895 1.00 1.10 C ATOM 1327 C ASP A 86 -7.921 -3.616 12.064 1.00 1.02 C ATOM 1328 O ASP A 86 -8.850 -2.824 11.918 1.00 0.99 O ATOM 1329 CB ASP A 86 -8.588 -5.723 13.220 1.00 1.36 C ATOM 1330 CG ASP A 86 -9.454 -6.948 13.021 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -10.657 -6.794 12.735 1.00 2.27 O ATOM 1332 OD2 ASP A 86 -8.936 -8.075 13.152 1.00 2.66 O ATOM 0 H ASP A 86 -6.562 -6.474 12.034 1.00 1.07 H new ATOM 0 HA ASP A 86 -8.930 -5.254 11.155 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -7.709 -5.993 13.806 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -9.139 -4.980 13.796 1.00 1.36 H new ATOM 1337 N SER A 87 -6.686 -3.237 12.352 1.00 1.05 N ATOM 1338 CA SER A 87 -6.342 -1.836 12.534 1.00 1.08 C ATOM 1339 C SER A 87 -6.429 -1.078 11.208 1.00 0.93 C ATOM 1340 O SER A 87 -6.604 0.139 11.186 1.00 0.97 O ATOM 1341 CB SER A 87 -4.935 -1.719 13.120 1.00 1.27 C ATOM 1342 OG SER A 87 -4.724 -2.692 14.136 1.00 1.46 O ATOM 0 H SER A 87 -5.904 -3.882 12.465 1.00 1.05 H new ATOM 0 HA SER A 87 -7.056 -1.390 13.227 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.196 -1.847 12.329 1.00 1.27 H new ATOM 0 HB3 SER A 87 -4.791 -0.720 13.532 1.00 1.27 H new ATOM 0 HG SER A 87 -4.370 -3.513 13.734 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.321 -1.806 10.101 1.00 0.91 N ATOM 1349 CA TYR A 88 -6.385 -1.195 8.779 1.00 0.88 C ATOM 1350 C TYR A 88 -7.826 -1.143 8.282 1.00 0.89 C ATOM 1351 O TYR A 88 -8.196 -0.244 7.532 1.00 0.80 O ATOM 1352 CB TYR A 88 -5.525 -1.974 7.777 1.00 0.93 C ATOM 1353 CG TYR A 88 -4.034 -1.906 8.036 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.506 -1.117 9.054 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -3.152 -2.636 7.250 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -2.145 -1.065 9.281 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.792 -2.591 7.473 1.00 0.97 C ATOM 1358 CZ TYR A 88 -1.293 -1.802 8.489 1.00 0.93 C ATOM 1359 OH TYR A 88 0.062 -1.756 8.718 1.00 1.00 O ATOM 0 H TYR A 88 -6.189 -2.817 10.093 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.998 -0.179 8.862 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.835 -3.019 7.788 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -5.724 -1.593 6.775 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -4.171 -0.536 9.676 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -3.538 -3.250 6.450 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.751 -0.449 10.076 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -1.121 -3.170 6.856 1.00 0.97 H new ATOM 0 HH TYR A 88 0.522 -2.333 8.073 1.00 1.00 H new ATOM 1369 N GLN A 89 -8.637 -2.102 8.732 1.00 1.08 N ATOM 1370 CA GLN A 89 -10.045 -2.187 8.331 1.00 1.18 C ATOM 1371 C GLN A 89 -10.826 -0.929 8.704 1.00 1.16 C ATOM 1372 O GLN A 89 -11.902 -0.678 8.165 1.00 1.26 O ATOM 1373 CB GLN A 89 -10.716 -3.404 8.971 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.207 -4.736 8.446 1.00 1.61 C ATOM 1375 CD GLN A 89 -11.199 -5.864 8.668 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -11.122 -6.505 9.824 1.00 2.42 O flip ATOM 1377 NE2 GLN A 89 -12.036 -6.150 7.811 1.00 2.33 N flip ATOM 0 H GLN A 89 -8.342 -2.835 9.378 1.00 1.08 H new ATOM 0 HA GLN A 89 -10.057 -2.287 7.246 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -10.561 -3.367 10.049 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -11.791 -3.345 8.801 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -9.996 -4.646 7.380 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -9.266 -4.982 8.938 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -12.064 -5.633 6.932 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -12.702 -6.904 7.980 1.00 2.33 H new ATOM 1386 N ASP A 90 -10.289 -0.147 9.629 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.949 1.077 10.065 1.00 1.17 C ATOM 1388 C ASP A 90 -10.939 2.130 8.960 1.00 1.09 C ATOM 1389 O ASP A 90 -11.981 2.681 8.611 1.00 1.33 O ATOM 1390 CB ASP A 90 -10.274 1.627 11.321 1.00 1.18 C ATOM 1391 CG ASP A 90 -11.038 2.788 11.922 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -10.797 3.944 11.514 1.00 2.03 O ATOM 1393 OD2 ASP A 90 -11.877 2.556 12.815 1.00 2.44 O ATOM 0 H ASP A 90 -9.400 -0.337 10.092 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.986 0.835 10.297 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -10.185 0.832 12.061 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -9.262 1.949 11.076 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.762 2.399 8.405 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.628 3.394 7.341 1.00 0.79 C ATOM 1400 C VAL A 91 -9.872 2.773 5.968 1.00 0.73 C ATOM 1401 O VAL A 91 -10.224 3.467 5.013 1.00 0.76 O ATOM 1402 CB VAL A 91 -8.243 4.075 7.357 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -8.184 5.140 8.442 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -7.134 3.051 7.556 1.00 0.78 C ATOM 0 H VAL A 91 -8.888 1.945 8.671 1.00 0.83 H new ATOM 0 HA VAL A 91 -10.387 4.153 7.531 1.00 0.79 H new ATOM 0 HB VAL A 91 -8.092 4.555 6.390 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -7.200 5.609 8.438 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.947 5.895 8.253 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -8.363 4.680 9.414 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -6.169 3.557 7.563 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -7.281 2.535 8.505 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -7.158 2.326 6.742 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.676 1.468 5.873 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.895 0.758 4.625 1.00 0.71 C ATOM 1416 C TYR A 92 -11.385 0.493 4.443 1.00 0.80 C ATOM 1417 O TYR A 92 -12.034 -0.085 5.315 1.00 0.98 O ATOM 1418 CB TYR A 92 -9.096 -0.554 4.608 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.661 -1.624 3.695 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.516 -1.541 2.317 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -10.338 -2.718 4.220 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -10.034 -2.517 1.488 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -10.860 -3.696 3.397 1.00 1.02 C ATOM 1424 CZ TYR A 92 -10.704 -3.592 2.033 1.00 1.02 C ATOM 1425 OH TYR A 92 -11.228 -4.562 1.211 1.00 1.14 O ATOM 0 H TYR A 92 -9.366 0.879 6.646 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.546 1.372 3.795 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -8.073 -0.337 4.302 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -9.049 -0.949 5.623 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.991 -0.701 1.887 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -10.458 -2.805 5.290 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.915 -2.438 0.417 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -11.388 -4.538 3.821 1.00 1.02 H new ATOM 0 HH TYR A 92 -11.667 -5.249 1.755 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.930 0.942 3.327 1.00 0.74 N ATOM 1436 CA LEU A 93 -13.346 0.754 3.046 1.00 0.84 C ATOM 1437 C LEU A 93 -13.538 -0.199 1.872 1.00 1.05 C ATOM 1438 O LEU A 93 -14.536 -0.915 1.802 1.00 1.14 O ATOM 1439 CB LEU A 93 -14.037 2.101 2.771 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.645 2.805 1.465 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -14.720 3.798 1.056 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -12.308 3.517 1.608 1.00 1.42 C ATOM 0 H LEU A 93 -11.416 1.439 2.600 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.810 0.312 3.928 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -15.115 1.939 2.763 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -13.822 2.773 3.602 1.00 0.87 H new ATOM 0 HG LEU A 93 -13.548 2.045 0.690 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -14.427 4.289 0.128 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -15.663 3.272 0.907 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -14.842 4.546 1.840 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -12.055 4.007 0.668 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -12.376 4.263 2.400 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -11.534 2.791 1.859 1.00 1.42 H new ATOM 1454 N GLY A 94 -12.564 -0.223 0.969 1.00 1.78 N ATOM 1455 CA GLY A 94 -12.644 -1.089 -0.192 1.00 2.31 C ATOM 1456 C GLY A 94 -13.806 -0.727 -1.091 1.00 3.01 C ATOM 1457 O GLY A 94 -13.942 0.422 -1.506 1.00 3.64 O ATOM 0 H GLY A 94 -11.718 0.344 1.021 1.00 1.78 H new ATOM 0 HA2 GLY A 94 -11.714 -1.024 -0.757 1.00 2.31 H new ATOM 0 HA3 GLY A 94 -12.747 -2.124 0.134 1.00 2.31 H new ATOM 1461 N LEU A 95 -14.644 -1.702 -1.397 1.00 3.25 N ATOM 1462 CA LEU A 95 -15.801 -1.468 -2.245 1.00 3.98 C ATOM 1463 C LEU A 95 -17.075 -1.505 -1.419 1.00 3.60 C ATOM 1464 O LEU A 95 -17.320 -2.463 -0.682 1.00 3.99 O ATOM 1465 CB LEU A 95 -15.876 -2.506 -3.368 1.00 4.97 C ATOM 1466 CG LEU A 95 -15.026 -2.195 -4.604 1.00 5.52 C ATOM 1467 CD1 LEU A 95 -13.584 -2.631 -4.395 1.00 5.76 C ATOM 1468 CD2 LEU A 95 -15.617 -2.865 -5.836 1.00 6.50 C ATOM 0 H LEU A 95 -14.545 -2.664 -1.071 1.00 3.25 H new ATOM 0 HA LEU A 95 -15.696 -0.481 -2.695 1.00 3.98 H new ATOM 0 HB2 LEU A 95 -15.567 -3.472 -2.969 1.00 4.97 H new ATOM 0 HB3 LEU A 95 -16.916 -2.607 -3.678 1.00 4.97 H new ATOM 0 HG LEU A 95 -15.032 -1.116 -4.760 1.00 5.52 H new ATOM 0 HD11 LEU A 95 -13.001 -2.399 -5.286 1.00 5.76 H new ATOM 0 HD12 LEU A 95 -13.164 -2.102 -3.539 1.00 5.76 H new ATOM 0 HD13 LEU A 95 -13.552 -3.705 -4.209 1.00 5.76 H new ATOM 0 HD21 LEU A 95 -15.002 -2.635 -6.706 1.00 6.50 H new ATOM 0 HD22 LEU A 95 -15.643 -3.944 -5.686 1.00 6.50 H new ATOM 0 HD23 LEU A 95 -16.630 -2.497 -6.000 1.00 6.50 H new ATOM 1480 N GLU A 96 -17.878 -0.458 -1.543 1.00 3.30 N ATOM 1481 CA GLU A 96 -19.137 -0.365 -0.815 1.00 3.30 C ATOM 1482 C GLU A 96 -20.174 -1.254 -1.479 1.00 3.83 C ATOM 1483 O GLU A 96 -21.116 -1.727 -0.843 1.00 4.33 O ATOM 1484 CB GLU A 96 -19.639 1.081 -0.793 1.00 3.38 C ATOM 1485 CG GLU A 96 -18.615 2.078 -0.285 1.00 3.76 C ATOM 1486 CD GLU A 96 -18.994 3.507 -0.610 1.00 4.68 C ATOM 1487 OE1 GLU A 96 -18.971 3.873 -1.802 1.00 5.06 O ATOM 1488 OE2 GLU A 96 -19.316 4.273 0.324 1.00 5.15 O ATOM 0 H GLU A 96 -17.680 0.342 -2.143 1.00 3.30 H new ATOM 0 HA GLU A 96 -18.974 -0.694 0.211 1.00 3.30 H new ATOM 0 HB2 GLU A 96 -19.941 1.366 -1.801 1.00 3.38 H new ATOM 0 HB3 GLU A 96 -20.529 1.137 -0.166 1.00 3.38 H new ATOM 0 HG2 GLU A 96 -18.509 1.969 0.794 1.00 3.76 H new ATOM 0 HG3 GLU A 96 -17.643 1.853 -0.725 1.00 3.76 H new ATOM 1495 N HIS A 97 -19.983 -1.476 -2.768 1.00 4.10 N ATOM 1496 CA HIS A 97 -20.883 -2.301 -3.546 1.00 4.81 C ATOM 1497 C HIS A 97 -20.097 -3.068 -4.601 1.00 4.91 C ATOM 1498 O HIS A 97 -19.177 -2.523 -5.209 1.00 5.78 O ATOM 1499 CB HIS A 97 -21.948 -1.419 -4.208 1.00 5.50 C ATOM 1500 CG HIS A 97 -22.924 -2.170 -5.061 1.00 5.36 C ATOM 1501 ND1 HIS A 97 -23.039 -1.984 -6.421 1.00 5.86 N ATOM 1502 CD2 HIS A 97 -23.835 -3.114 -4.735 1.00 5.14 C ATOM 1503 CE1 HIS A 97 -23.981 -2.780 -6.892 1.00 5.88 C ATOM 1504 NE2 HIS A 97 -24.478 -3.478 -5.888 1.00 5.53 N ATOM 0 H HIS A 97 -19.203 -1.090 -3.300 1.00 4.10 H new ATOM 0 HA HIS A 97 -21.378 -3.017 -2.890 1.00 4.81 H new ATOM 0 HB2 HIS A 97 -22.496 -0.886 -3.431 1.00 5.50 H new ATOM 0 HB3 HIS A 97 -21.451 -0.667 -4.821 1.00 5.50 H new ATOM 0 HD2 HIS A 97 -24.021 -3.509 -3.747 1.00 5.14 H new ATOM 0 HE1 HIS A 97 -24.292 -2.848 -7.924 1.00 5.88 H new ATOM 0 HE2 HIS A 97 -25.220 -4.175 -5.959 1.00 5.53 H new ATOM 1513 N HIS A 98 -20.449 -4.333 -4.799 1.00 4.24 N ATOM 1514 CA HIS A 98 -19.783 -5.169 -5.788 1.00 4.57 C ATOM 1515 C HIS A 98 -20.027 -4.610 -7.185 1.00 5.57 C ATOM 1516 O HIS A 98 -21.100 -4.790 -7.760 1.00 6.29 O ATOM 1517 CB HIS A 98 -20.295 -6.609 -5.699 1.00 4.01 C ATOM 1518 CG HIS A 98 -19.386 -7.611 -6.342 1.00 4.25 C ATOM 1519 ND1 HIS A 98 -19.592 -8.107 -7.613 1.00 4.75 N ATOM 1520 CD2 HIS A 98 -18.261 -8.206 -5.884 1.00 4.43 C ATOM 1521 CE1 HIS A 98 -18.630 -8.963 -7.908 1.00 5.20 C ATOM 1522 NE2 HIS A 98 -17.811 -9.040 -6.876 1.00 5.02 N ATOM 0 H HIS A 98 -21.195 -4.803 -4.285 1.00 4.24 H new ATOM 0 HA HIS A 98 -18.712 -5.169 -5.586 1.00 4.57 H new ATOM 0 HB2 HIS A 98 -20.429 -6.874 -4.650 1.00 4.01 H new ATOM 0 HB3 HIS A 98 -21.276 -6.666 -6.170 1.00 4.01 H new ATOM 0 HD2 HIS A 98 -17.803 -8.053 -4.918 1.00 4.43 H new ATOM 0 HE1 HIS A 98 -18.531 -9.507 -8.836 1.00 5.20 H new ATOM 0 HE2 HIS A 98 -16.977 -9.626 -6.824 1.00 5.02 H new ATOM 1531 N HIS A 99 -19.037 -3.918 -7.717 1.00 5.88 N ATOM 1532 CA HIS A 99 -19.147 -3.315 -9.033 1.00 7.00 C ATOM 1533 C HIS A 99 -18.520 -4.214 -10.089 1.00 7.19 C ATOM 1534 O HIS A 99 -17.386 -4.669 -9.932 1.00 6.84 O ATOM 1535 CB HIS A 99 -18.470 -1.944 -9.037 1.00 7.91 C ATOM 1536 CG HIS A 99 -19.059 -0.983 -10.024 1.00 8.85 C ATOM 1537 ND1 HIS A 99 -19.305 0.340 -9.727 1.00 9.53 N ATOM 1538 CD2 HIS A 99 -19.454 -1.154 -11.307 1.00 9.38 C ATOM 1539 CE1 HIS A 99 -19.826 0.936 -10.780 1.00 10.40 C ATOM 1540 NE2 HIS A 99 -19.925 0.051 -11.750 1.00 10.32 N ATOM 0 H HIS A 99 -18.142 -3.759 -7.255 1.00 5.88 H new ATOM 0 HA HIS A 99 -20.203 -3.191 -9.271 1.00 7.00 H new ATOM 0 HB2 HIS A 99 -18.538 -1.512 -8.038 1.00 7.91 H new ATOM 0 HB3 HIS A 99 -17.410 -2.073 -9.257 1.00 7.91 H new ATOM 0 HD2 HIS A 99 -19.406 -2.071 -11.875 1.00 9.38 H new ATOM 0 HE1 HIS A 99 -20.121 1.973 -10.838 1.00 10.40 H new ATOM 0 HE2 HIS A 99 -20.294 0.235 -12.683 1.00 10.32 H new ATOM 1549 N HIS A 100 -19.267 -4.475 -11.150 1.00 7.91 N ATOM 1550 CA HIS A 100 -18.786 -5.309 -12.240 1.00 8.32 C ATOM 1551 C HIS A 100 -17.595 -4.642 -12.923 1.00 8.49 C ATOM 1552 O HIS A 100 -17.677 -3.481 -13.332 1.00 8.85 O ATOM 1553 CB HIS A 100 -19.908 -5.547 -13.256 1.00 8.84 C ATOM 1554 CG HIS A 100 -19.748 -6.791 -14.075 1.00 9.39 C ATOM 1555 ND1 HIS A 100 -18.812 -7.136 -14.989 1.00 9.84 N flip ATOM 1556 CD2 HIS A 100 -20.631 -7.847 -14.017 1.00 9.72 C flip ATOM 1557 CE1 HIS A 100 -19.144 -8.380 -15.460 1.00 10.37 C flip ATOM 1558 NE2 HIS A 100 -20.244 -8.787 -14.858 1.00 10.32 N flip ATOM 0 H HIS A 100 -20.214 -4.119 -11.280 1.00 7.91 H new ATOM 0 HA HIS A 100 -18.468 -6.270 -11.834 1.00 8.32 H new ATOM 0 HB2 HIS A 100 -20.858 -5.596 -12.724 1.00 8.84 H new ATOM 0 HB3 HIS A 100 -19.962 -4.690 -13.927 1.00 8.84 H new ATOM 0 HD1 HIS A 100 -18.009 -6.575 -15.274 1.00 9.84 H new ATOM 0 HD2 HIS A 100 -21.503 -7.897 -13.382 1.00 9.72 H new ATOM 0 HE1 HIS A 100 -18.593 -8.937 -16.204 1.00 10.37 H new ATOM 1567 N HIS A 101 -16.491 -5.373 -13.027 1.00 8.41 N ATOM 1568 CA HIS A 101 -15.281 -4.853 -13.662 1.00 8.73 C ATOM 1569 C HIS A 101 -15.525 -4.593 -15.144 1.00 9.24 C ATOM 1570 O HIS A 101 -16.441 -5.159 -15.744 1.00 9.03 O ATOM 1571 CB HIS A 101 -14.100 -5.824 -13.483 1.00 8.88 C ATOM 1572 CG HIS A 101 -14.211 -7.103 -14.269 1.00 9.00 C ATOM 1573 ND1 HIS A 101 -14.704 -8.275 -13.739 1.00 8.78 N ATOM 1574 CD2 HIS A 101 -13.881 -7.388 -15.553 1.00 9.44 C ATOM 1575 CE1 HIS A 101 -14.672 -9.222 -14.659 1.00 9.10 C ATOM 1576 NE2 HIS A 101 -14.180 -8.710 -15.770 1.00 9.49 N ATOM 0 H HIS A 101 -16.407 -6.329 -12.680 1.00 8.41 H new ATOM 0 HA HIS A 101 -15.027 -3.911 -13.175 1.00 8.73 H new ATOM 0 HB2 HIS A 101 -13.181 -5.314 -13.773 1.00 8.88 H new ATOM 0 HB3 HIS A 101 -14.007 -6.071 -12.425 1.00 8.88 H new ATOM 0 HD2 HIS A 101 -13.460 -6.701 -16.273 1.00 9.44 H new ATOM 0 HE1 HIS A 101 -14.995 -10.244 -14.524 1.00 9.10 H new ATOM 0 HE2 HIS A 101 -14.044 -9.213 -16.647 1.00 9.49 H new ATOM 1585 N HIS A 102 -14.707 -3.737 -15.727 1.00 10.03 N ATOM 1586 CA HIS A 102 -14.826 -3.405 -17.137 1.00 10.75 C ATOM 1587 C HIS A 102 -13.947 -4.327 -17.961 1.00 11.48 C ATOM 1588 O HIS A 102 -14.490 -5.223 -18.640 1.00 11.72 O ATOM 1589 CB HIS A 102 -14.429 -1.951 -17.391 1.00 11.25 C ATOM 1590 CG HIS A 102 -15.475 -0.960 -16.992 1.00 11.59 C ATOM 1591 ND1 HIS A 102 -16.769 -1.009 -17.456 1.00 12.36 N ATOM 1592 CD2 HIS A 102 -15.412 0.118 -16.177 1.00 11.44 C ATOM 1593 CE1 HIS A 102 -17.455 -0.006 -16.947 1.00 12.66 C ATOM 1594 NE2 HIS A 102 -16.656 0.693 -16.167 1.00 12.14 N ATOM 1595 OXT HIS A 102 -12.711 -4.164 -17.912 1.00 11.93 O ATOM 0 H HIS A 102 -13.948 -3.256 -15.244 1.00 10.03 H new ATOM 0 HA HIS A 102 -15.867 -3.535 -17.432 1.00 10.75 H new ATOM 0 HB2 HIS A 102 -13.510 -1.735 -16.846 1.00 11.25 H new ATOM 0 HB3 HIS A 102 -14.208 -1.825 -18.451 1.00 11.25 H new ATOM 0 HD2 HIS A 102 -14.543 0.461 -15.635 1.00 11.44 H new ATOM 0 HE1 HIS A 102 -18.497 0.207 -17.137 1.00 12.66 H new ATOM 0 HE2 HIS A 102 -16.920 1.526 -15.641 1.00 12.14 H new TER 1604 HIS A 102 HETATM 1605 N1A ACO A 103 -2.368 -12.938 -1.436 1.00 1.26 N HETATM 1606 C2A ACO A 103 -2.855 -12.263 -0.322 1.00 1.17 C HETATM 1607 N3A ACO A 103 -2.005 -12.065 0.767 1.00 1.07 N HETATM 1608 C4A ACO A 103 -0.741 -12.531 0.714 1.00 1.07 C HETATM 1609 C5A ACO A 103 -0.295 -13.177 -0.377 1.00 1.24 C HETATM 1610 C6A ACO A 103 -1.103 -13.374 -1.428 1.00 1.33 C HETATM 1611 N6A ACO A 103 -0.584 -14.027 -2.466 1.00 1.58 N HETATM 1612 N7A ACO A 103 0.971 -13.517 -0.160 1.00 1.38 N HETATM 1613 C8A ACO A 103 1.317 -13.088 1.052 1.00 1.26 C HETATM 1614 N9A ACO A 103 0.263 -12.480 1.587 1.00 1.07 N HETATM 1615 C1B ACO A 103 0.209 -11.855 2.931 1.00 1.03 C HETATM 1616 C2B ACO A 103 0.986 -12.621 3.971 1.00 1.11 C HETATM 1617 O2B ACO A 103 0.189 -13.686 4.512 1.00 1.48 O HETATM 1618 C3B ACO A 103 1.256 -11.570 5.025 1.00 1.01 C HETATM 1619 O3B ACO A 103 0.295 -11.677 6.090 1.00 1.23 O HETATM 1620 P3B ACO A 103 0.485 -10.817 7.440 1.00 1.16 P HETATM 1621 O7A ACO A 103 -0.053 -9.337 7.098 1.00 1.71 O HETATM 1622 O8A ACO A 103 2.065 -10.693 7.717 1.00 1.81 O HETATM 1623 O9A ACO A 103 -0.228 -11.408 8.590 1.00 2.04 O HETATM 1624 C4B ACO A 103 1.074 -10.240 4.295 1.00 1.04 C HETATM 1625 O4B ACO A 103 0.844 -10.568 2.906 1.00 1.04 O HETATM 1626 C5B ACO A 103 2.328 -9.386 4.441 1.00 1.18 C HETATM 1627 O5B ACO A 103 3.494 -10.194 4.254 1.00 1.28 O HETATM 1628 P1A ACO A 103 4.840 -9.555 3.634 1.00 1.52 P HETATM 1629 O1A ACO A 103 4.751 -8.077 3.658 1.00 2.30 O HETATM 1630 O2A ACO A 103 6.033 -10.173 4.276 1.00 2.20 O HETATM 1631 O3A ACO A 103 4.802 -10.057 2.107 1.00 1.44 O HETATM 1632 P2A ACO A 103 5.858 -9.493 1.035 1.00 1.59 P HETATM 1633 O4A ACO A 103 7.075 -10.350 1.013 1.00 2.35 O HETATM 1634 O5A ACO A 103 6.055 -8.040 1.233 1.00 2.24 O HETATM 1635 O6A ACO A 103 5.097 -9.718 -0.362 1.00 1.29 O HETATM 1636 CBP ACO A 103 5.060 -9.476 -2.776 1.00 0.94 C HETATM 1637 CCP ACO A 103 5.839 -9.987 -1.557 1.00 1.05 C HETATM 1638 CDP ACO A 103 3.779 -10.301 -2.948 1.00 1.01 C HETATM 1639 CEP ACO A 103 4.688 -8.002 -2.565 1.00 0.88 C HETATM 1640 CAP ACO A 103 5.941 -9.614 -4.028 1.00 0.97 C HETATM 1641 OAP ACO A 103 5.959 -10.975 -4.462 1.00 1.11 O HETATM 1642 C9P ACO A 103 5.399 -8.724 -5.152 1.00 0.94 C HETATM 1643 O9P ACO A 103 6.012 -7.721 -5.514 1.00 0.99 O HETATM 1644 N8P ACO A 103 4.235 -9.117 -5.687 1.00 1.53 N HETATM 1645 C7P ACO A 103 3.296 -8.157 -6.288 1.00 1.93 C HETATM 1646 C6P ACO A 103 2.022 -8.082 -5.442 1.00 2.42 C HETATM 1647 C5P ACO A 103 1.174 -6.877 -5.864 1.00 2.41 C HETATM 1648 O5P ACO A 103 0.190 -6.537 -5.210 1.00 3.30 O HETATM 1649 N4P ACO A 103 1.588 -6.247 -6.969 1.00 1.79 N HETATM 1650 C3P ACO A 103 1.159 -6.663 -8.311 1.00 2.18 C HETATM 1651 C2P ACO A 103 0.980 -5.432 -9.203 1.00 2.07 C HETATM 1652 S1P ACO A 103 2.496 -5.058 -10.156 1.00 2.13 S HETATM 1653 C ACO A 103 3.679 -4.901 -8.834 1.00 1.95 C HETATM 1654 O ACO A 103 3.518 -3.878 -7.846 1.00 1.49 O HETATM 1655 CH3 ACO A 103 4.873 -5.853 -8.757 1.00 3.07 C HETATM 0 HO2A ACO A 103 -0.259 -13.378 5.327 1.00 1.48 H new HETATM 0 HH33 ACO A 103 4.515 -6.879 -8.668 1.00 3.07 H new HETATM 0 HH32 ACO A 103 5.475 -5.755 -9.660 1.00 3.07 H new HETATM 0 HH31 ACO A 103 5.481 -5.604 -7.887 1.00 3.07 H new HETATM 0 H62A ACO A 103 0.383 -14.349 -2.434 1.00 1.58 H new HETATM 0 H61A ACO A 103 -1.154 -14.205 -3.293 1.00 1.58 H new HETATM 0 H52A ACO A 103 2.315 -8.577 3.710 1.00 1.18 H new HETATM 0 H51A ACO A 103 2.350 -8.923 5.428 1.00 1.18 H new HETATM 0 H143 ACO A 103 4.069 -7.907 -1.673 1.00 0.88 H new HETATM 0 H142 ACO A 103 5.596 -7.412 -2.441 1.00 0.88 H new HETATM 0 H141 ACO A 103 4.135 -7.639 -3.431 1.00 0.88 H new HETATM 0 H133 ACO A 103 4.038 -11.349 -3.097 1.00 1.01 H new HETATM 0 H132 ACO A 103 3.161 -10.203 -2.056 1.00 1.01 H new HETATM 0 H131 ACO A 103 3.226 -9.938 -3.814 1.00 1.01 H new HETATM 0 H122 ACO A 103 6.814 -9.503 -1.508 1.00 1.05 H new HETATM 0 H121 ACO A 103 6.019 -11.058 -1.651 1.00 1.05 H new HETATM 0 HO1 ACO A 103 6.521 -11.056 -5.261 1.00 1.11 H new HETATM 0 HN8 ACO A 103 3.994 -10.108 -5.677 1.00 1.53 H new HETATM 0 HN4 ACO A 103 2.221 -5.453 -6.877 1.00 1.79 H new HETATM 0 H8A ACO A 103 2.292 -13.213 1.522 1.00 1.26 H new HETATM 0 H72 ACO A 103 3.759 -7.173 -6.353 1.00 1.93 H new HETATM 0 H71 ACO A 103 3.051 -8.462 -7.305 1.00 1.93 H new HETATM 0 H62 ACO A 103 1.445 -9.000 -5.558 1.00 2.42 H new HETATM 0 H61 ACO A 103 2.282 -8.001 -4.387 1.00 2.42 H new HETATM 0 H4B ACO A 103 0.242 -9.669 4.707 1.00 1.04 H new HETATM 0 H3B ACO A 103 2.246 -11.674 5.470 1.00 1.01 H new HETATM 0 H32 ACO A 103 1.898 -7.335 -8.747 1.00 2.18 H new HETATM 0 H31 ACO A 103 0.222 -7.217 -8.248 1.00 2.18 H new HETATM 0 H2B ACO A 103 1.890 -13.089 3.582 1.00 1.11 H new HETATM 0 H2A ACO A 103 -3.881 -11.896 -0.300 1.00 1.17 H new HETATM 0 H22 ACO A 103 0.150 -5.599 -9.890 1.00 2.07 H new HETATM 0 H21 ACO A 103 0.716 -4.572 -8.587 1.00 2.07 H new HETATM 0 H1B ACO A 103 -0.852 -11.820 3.180 1.00 1.03 H new HETATM 0 H10 ACO A 103 6.955 -9.301 -3.781 1.00 0.97 H new