USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 790 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 LYS NZ :NH3+ -106:sc= 0.551 (180deg=-0.939) USER MOD Set 1.2: A 90 ASN : amide:sc= 0.473 K(o=1,f=-5.7!) USER MOD Set 2.1: A 82 ASN : amide:sc= 1.27 K(o=1.5,f=0.77) USER MOD Set 2.2: A 89 TYR OH : rot -110:sc= 0.232 USER MOD Set 3.1: A 18 ASN : amide:sc= 0.617 K(o=0.055,f=-1.9!) USER MOD Set 3.2: A 21 GLN :FLIP amide:sc= -0.562 F(o=-2.5!,f=0.055) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.109 (180deg=-0.711) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.0684 F(o=-0.96,f=-0.068) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.229 (180deg=-0.71) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.11) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0144 F(o=-1.2!,f=-0.014) USER MOD Single : A 29 THR OG1 : rot -50:sc= 1.07 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -127:sc= 0 (180deg=-0.0782) USER MOD Single : A 43 ASN : amide:sc= -0.0672 K(o=-0.067,f=-0.62!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 1.33 (180deg=1.25) USER MOD Single : A 52 GLN : amide:sc= -0.285 K(o=-0.29,f=-2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= 1.12 K(o=1.1,f=-0.78) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.104 X(o=0.1,f=-0.074) USER MOD Single : A 60 SER OG : rot 70:sc= 1.23 USER MOD Single : A 65 ASN : amide:sc= -1.92 K(o=-1.9,f=-10!) USER MOD Single : A 68 SER OG : rot -160:sc= -0.271 USER MOD Single : A 72 GLN : amide:sc= -4.02! C(o=-4!,f=-5.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -116:sc= -0.452 (180deg=-3.61!) USER MOD Single : A 78 MET CE :methyl 157:sc= -10! (180deg=-11.2!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.663 K(o=0.66,f=-13!) USER MOD Single : A 88 MET CE :methyl -157:sc= -0.535 (180deg=-1.11) USER MOD Single : A 91 GLN :FLIP amide:sc=-0.00189 F(o=-1,f=-0.0019) USER MOD Single : A 94 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=-0.016) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc=-0.00559 X(o=-0.0056,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.209 11.140 16.136 1.00 61.44 N ATOM 2 CA MET A 1 -6.516 11.954 15.113 1.00 41.24 C ATOM 3 C MET A 1 -5.362 11.173 14.501 1.00 51.22 C ATOM 4 O MET A 1 -4.303 11.033 15.111 1.00 22.42 O ATOM 5 CB MET A 1 -5.993 13.257 15.730 1.00 10.42 C ATOM 6 CG MET A 1 -5.261 14.154 14.742 1.00 2.42 C ATOM 7 SD MET A 1 -4.646 15.670 15.503 1.00 3.43 S ATOM 8 CE MET A 1 -6.173 16.411 16.078 1.00 42.51 C ATOM 0 H1 MET A 1 -7.993 11.688 16.543 1.00 61.44 H new ATOM 0 H2 MET A 1 -7.583 10.275 15.696 1.00 61.44 H new ATOM 0 H3 MET A 1 -6.538 10.884 16.889 1.00 61.44 H new ATOM 0 HA MET A 1 -7.232 12.197 14.328 1.00 41.24 H new ATOM 0 HB2 MET A 1 -6.831 13.809 16.155 1.00 10.42 H new ATOM 0 HB3 MET A 1 -5.321 13.014 16.553 1.00 10.42 H new ATOM 0 HG2 MET A 1 -4.425 13.605 14.309 1.00 2.42 H new ATOM 0 HG3 MET A 1 -5.933 14.410 13.923 1.00 2.42 H new ATOM 0 HE1 MET A 1 -6.021 17.478 16.242 1.00 42.51 H new ATOM 0 HE2 MET A 1 -6.952 16.267 15.329 1.00 42.51 H new ATOM 0 HE3 MET A 1 -6.477 15.940 17.013 1.00 42.51 H new ATOM 20 N ASP A 2 -5.580 10.655 13.302 1.00 1.51 N ATOM 21 CA ASP A 2 -4.553 9.902 12.600 1.00 30.34 C ATOM 22 C ASP A 2 -4.394 10.415 11.174 1.00 21.25 C ATOM 23 O ASP A 2 -5.374 10.599 10.449 1.00 1.22 O ATOM 24 CB ASP A 2 -4.866 8.396 12.607 1.00 3.33 C ATOM 25 CG ASP A 2 -6.136 8.031 11.869 1.00 4.02 C ATOM 26 OD1 ASP A 2 -7.233 8.391 12.345 1.00 73.01 O ATOM 27 OD2 ASP A 2 -6.041 7.366 10.819 1.00 33.13 O ATOM 0 H ASP A 2 -6.460 10.743 12.794 1.00 1.51 H new ATOM 0 HA ASP A 2 -3.609 10.048 13.126 1.00 30.34 H new ATOM 0 HB2 ASP A 2 -4.030 7.859 12.159 1.00 3.33 H new ATOM 0 HB3 ASP A 2 -4.947 8.056 13.640 1.00 3.33 H new ATOM 32 N GLN A 3 -3.147 10.653 10.787 1.00 3.35 N ATOM 33 CA GLN A 3 -2.828 11.195 9.471 1.00 63.00 C ATOM 34 C GLN A 3 -3.238 10.209 8.386 1.00 74.11 C ATOM 35 O GLN A 3 -3.639 10.596 7.285 1.00 63.43 O ATOM 36 CB GLN A 3 -1.329 11.482 9.374 1.00 1.42 C ATOM 37 CG GLN A 3 -0.931 12.252 8.129 1.00 62.42 C ATOM 38 CD GLN A 3 0.571 12.348 7.958 1.00 10.43 C ATOM 39 OE1 GLN A 3 1.300 12.271 9.058 1.00 12.54 O flip ATOM 40 NE2 GLN A 3 1.074 12.463 6.842 1.00 23.00 N flip ATOM 0 H GLN A 3 -2.331 10.477 11.373 1.00 3.35 H new ATOM 0 HA GLN A 3 -3.378 12.125 9.330 1.00 63.00 H new ATOM 0 HB2 GLN A 3 -1.019 12.047 10.253 1.00 1.42 H new ATOM 0 HB3 GLN A 3 -0.786 10.537 9.394 1.00 1.42 H new ATOM 0 HG2 GLN A 3 -1.362 11.767 7.253 1.00 62.42 H new ATOM 0 HG3 GLN A 3 -1.352 13.256 8.177 1.00 62.42 H new ATOM 0 HE21 GLN A 3 0.477 12.519 6.017 1.00 23.00 H new ATOM 0 HE22 GLN A 3 2.088 12.502 6.741 1.00 23.00 H new ATOM 49 N LEU A 4 -3.140 8.930 8.725 1.00 34.05 N ATOM 50 CA LEU A 4 -3.509 7.843 7.825 1.00 3.23 C ATOM 51 C LEU A 4 -4.944 7.993 7.332 1.00 70.34 C ATOM 52 O LEU A 4 -5.244 7.690 6.178 1.00 3.43 O ATOM 53 CB LEU A 4 -3.338 6.508 8.545 1.00 54.40 C ATOM 54 CG LEU A 4 -1.902 6.179 8.941 1.00 54.14 C ATOM 55 CD1 LEU A 4 -1.875 5.031 9.937 1.00 0.24 C ATOM 56 CD2 LEU A 4 -1.086 5.836 7.704 1.00 63.22 C ATOM 0 H LEU A 4 -2.801 8.615 9.634 1.00 34.05 H new ATOM 0 HA LEU A 4 -2.854 7.878 6.955 1.00 3.23 H new ATOM 0 HB2 LEU A 4 -3.956 6.512 9.443 1.00 54.40 H new ATOM 0 HB3 LEU A 4 -3.715 5.713 7.902 1.00 54.40 H new ATOM 0 HG LEU A 4 -1.460 7.053 9.418 1.00 54.14 H new ATOM 0 HD11 LEU A 4 -0.843 4.809 10.209 1.00 0.24 H new ATOM 0 HD12 LEU A 4 -2.433 5.311 10.830 1.00 0.24 H new ATOM 0 HD13 LEU A 4 -2.329 4.148 9.487 1.00 0.24 H new ATOM 0 HD21 LEU A 4 -0.062 5.603 7.997 1.00 63.22 H new ATOM 0 HD22 LEU A 4 -1.527 4.973 7.205 1.00 63.22 H new ATOM 0 HD23 LEU A 4 -1.084 6.687 7.022 1.00 63.22 H new ATOM 68 N LYS A 5 -5.817 8.480 8.202 1.00 1.24 N ATOM 69 CA LYS A 5 -7.222 8.659 7.862 1.00 42.42 C ATOM 70 C LYS A 5 -7.376 9.694 6.749 1.00 30.31 C ATOM 71 O LYS A 5 -8.170 9.512 5.826 1.00 42.15 O ATOM 72 CB LYS A 5 -8.006 9.079 9.106 1.00 62.34 C ATOM 73 CG LYS A 5 -9.508 9.136 8.902 1.00 42.13 C ATOM 74 CD LYS A 5 -10.245 9.355 10.216 1.00 45.31 C ATOM 75 CE LYS A 5 -10.548 8.044 10.939 1.00 62.42 C ATOM 76 NZ LYS A 5 -9.327 7.234 11.209 1.00 34.10 N ATOM 0 H LYS A 5 -5.576 8.759 9.153 1.00 1.24 H new ATOM 0 HA LYS A 5 -7.623 7.713 7.499 1.00 42.42 H new ATOM 0 HB2 LYS A 5 -7.786 8.381 9.914 1.00 62.34 H new ATOM 0 HB3 LYS A 5 -7.657 10.060 9.429 1.00 62.34 H new ATOM 0 HG2 LYS A 5 -9.751 9.942 8.209 1.00 42.13 H new ATOM 0 HG3 LYS A 5 -9.849 8.208 8.444 1.00 42.13 H new ATOM 0 HD2 LYS A 5 -9.645 9.994 10.864 1.00 45.31 H new ATOM 0 HD3 LYS A 5 -11.178 9.884 10.022 1.00 45.31 H new ATOM 0 HE2 LYS A 5 -11.048 8.263 11.882 1.00 62.42 H new ATOM 0 HE3 LYS A 5 -11.242 7.456 10.339 1.00 62.42 H new ATOM 0 HZ1 LYS A 5 -9.555 6.476 11.884 1.00 34.10 H new ATOM 0 HZ2 LYS A 5 -8.985 6.815 10.321 1.00 34.10 H new ATOM 0 HZ3 LYS A 5 -8.587 7.845 11.611 1.00 34.10 H new ATOM 90 N THR A 6 -6.595 10.765 6.834 1.00 24.14 N ATOM 91 CA THR A 6 -6.589 11.803 5.811 1.00 32.42 C ATOM 92 C THR A 6 -6.123 11.233 4.472 1.00 41.32 C ATOM 93 O THR A 6 -6.689 11.533 3.417 1.00 21.42 O ATOM 94 CB THR A 6 -5.667 12.968 6.230 1.00 44.10 C ATOM 95 OG1 THR A 6 -6.127 13.533 7.467 1.00 62.11 O ATOM 96 CG2 THR A 6 -5.618 14.044 5.158 1.00 63.24 C ATOM 0 H THR A 6 -5.953 10.937 7.608 1.00 24.14 H new ATOM 0 HA THR A 6 -7.607 12.178 5.701 1.00 32.42 H new ATOM 0 HB THR A 6 -4.659 12.573 6.361 1.00 44.10 H new ATOM 0 HG1 THR A 6 -5.537 14.271 7.729 1.00 62.11 H new ATOM 0 HG21 THR A 6 -4.961 14.851 5.482 1.00 63.24 H new ATOM 0 HG22 THR A 6 -5.237 13.616 4.230 1.00 63.24 H new ATOM 0 HG23 THR A 6 -6.621 14.438 4.991 1.00 63.24 H new ATOM 104 N ILE A 7 -5.096 10.395 4.530 1.00 31.54 N ATOM 105 CA ILE A 7 -4.551 9.754 3.347 1.00 42.42 C ATOM 106 C ILE A 7 -5.579 8.812 2.727 1.00 64.31 C ATOM 107 O ILE A 7 -5.742 8.768 1.508 1.00 63.33 O ATOM 108 CB ILE A 7 -3.266 8.985 3.697 1.00 64.22 C ATOM 109 CG1 ILE A 7 -2.247 9.953 4.301 1.00 21.11 C ATOM 110 CG2 ILE A 7 -2.699 8.302 2.461 1.00 70.23 C ATOM 111 CD1 ILE A 7 -1.056 9.275 4.934 1.00 41.25 C ATOM 0 H ILE A 7 -4.621 10.143 5.397 1.00 31.54 H new ATOM 0 HA ILE A 7 -4.307 10.527 2.619 1.00 42.42 H new ATOM 0 HB ILE A 7 -3.496 8.210 4.428 1.00 64.22 H new ATOM 0 HG12 ILE A 7 -1.895 10.628 3.521 1.00 21.11 H new ATOM 0 HG13 ILE A 7 -2.745 10.566 5.052 1.00 21.11 H new ATOM 0 HG21 ILE A 7 -1.790 7.763 2.728 1.00 70.23 H new ATOM 0 HG22 ILE A 7 -3.433 7.601 2.064 1.00 70.23 H new ATOM 0 HG23 ILE A 7 -2.467 9.052 1.705 1.00 70.23 H new ATOM 0 HD11 ILE A 7 -0.381 10.029 5.339 1.00 41.25 H new ATOM 0 HD12 ILE A 7 -1.394 8.622 5.738 1.00 41.25 H new ATOM 0 HD13 ILE A 7 -0.532 8.684 4.183 1.00 41.25 H new ATOM 123 N LYS A 8 -6.287 8.078 3.578 1.00 45.30 N ATOM 124 CA LYS A 8 -7.353 7.192 3.126 1.00 43.12 C ATOM 125 C LYS A 8 -8.441 7.986 2.413 1.00 5.33 C ATOM 126 O LYS A 8 -8.977 7.541 1.397 1.00 0.43 O ATOM 127 CB LYS A 8 -7.925 6.403 4.310 1.00 73.12 C ATOM 128 CG LYS A 8 -6.934 5.407 4.885 1.00 21.34 C ATOM 129 CD LYS A 8 -7.435 4.748 6.159 1.00 44.44 C ATOM 130 CE LYS A 8 -6.433 3.720 6.662 1.00 34.33 C ATOM 131 NZ LYS A 8 -6.857 3.080 7.931 1.00 62.04 N ATOM 0 H LYS A 8 -6.141 8.079 4.588 1.00 45.30 H new ATOM 0 HA LYS A 8 -6.940 6.479 2.413 1.00 43.12 H new ATOM 0 HB2 LYS A 8 -8.229 7.099 5.092 1.00 73.12 H new ATOM 0 HB3 LYS A 8 -8.822 5.873 3.989 1.00 73.12 H new ATOM 0 HG2 LYS A 8 -6.725 4.638 4.141 1.00 21.34 H new ATOM 0 HG3 LYS A 8 -5.992 5.916 5.090 1.00 21.34 H new ATOM 0 HD2 LYS A 8 -7.602 5.505 6.925 1.00 44.44 H new ATOM 0 HD3 LYS A 8 -8.395 4.267 5.972 1.00 44.44 H new ATOM 0 HE2 LYS A 8 -6.294 2.952 5.901 1.00 34.33 H new ATOM 0 HE3 LYS A 8 -5.466 4.202 6.808 1.00 34.33 H new ATOM 0 HZ1 LYS A 8 -6.242 2.266 8.131 1.00 62.04 H new ATOM 0 HZ2 LYS A 8 -6.785 3.768 8.708 1.00 62.04 H new ATOM 0 HZ3 LYS A 8 -7.842 2.757 7.845 1.00 62.04 H new ATOM 145 N GLU A 9 -8.744 9.173 2.933 1.00 11.12 N ATOM 146 CA GLU A 9 -9.677 10.078 2.272 1.00 71.21 C ATOM 147 C GLU A 9 -9.187 10.406 0.864 1.00 0.12 C ATOM 148 O GLU A 9 -9.948 10.349 -0.098 1.00 54.54 O ATOM 149 CB GLU A 9 -9.840 11.369 3.081 1.00 10.54 C ATOM 150 CG GLU A 9 -10.595 11.189 4.389 1.00 64.52 C ATOM 151 CD GLU A 9 -12.060 10.874 4.175 1.00 14.21 C ATOM 152 OE1 GLU A 9 -12.401 9.688 4.009 1.00 54.15 O ATOM 153 OE2 GLU A 9 -12.879 11.816 4.160 1.00 31.12 O ATOM 0 H GLU A 9 -8.358 9.529 3.807 1.00 11.12 H new ATOM 0 HA GLU A 9 -10.646 9.583 2.205 1.00 71.21 H new ATOM 0 HB2 GLU A 9 -8.853 11.777 3.297 1.00 10.54 H new ATOM 0 HB3 GLU A 9 -10.363 12.105 2.470 1.00 10.54 H new ATOM 0 HG2 GLU A 9 -10.134 10.385 4.963 1.00 64.52 H new ATOM 0 HG3 GLU A 9 -10.505 12.098 4.984 1.00 64.52 H new ATOM 160 N LEU A 10 -7.905 10.736 0.753 1.00 2.23 N ATOM 161 CA LEU A 10 -7.292 11.063 -0.532 1.00 70.33 C ATOM 162 C LEU A 10 -7.414 9.897 -1.513 1.00 61.15 C ATOM 163 O LEU A 10 -7.753 10.092 -2.681 1.00 45.31 O ATOM 164 CB LEU A 10 -5.819 11.425 -0.335 1.00 22.22 C ATOM 165 CG LEU A 10 -5.563 12.670 0.518 1.00 15.52 C ATOM 166 CD1 LEU A 10 -4.085 12.798 0.849 1.00 63.21 C ATOM 167 CD2 LEU A 10 -6.055 13.919 -0.200 1.00 72.34 C ATOM 0 H LEU A 10 -7.264 10.785 1.545 1.00 2.23 H new ATOM 0 HA LEU A 10 -7.821 11.919 -0.951 1.00 70.33 H new ATOM 0 HB2 LEU A 10 -5.312 10.578 0.126 1.00 22.22 H new ATOM 0 HB3 LEU A 10 -5.364 11.575 -1.314 1.00 22.22 H new ATOM 0 HG LEU A 10 -6.117 12.565 1.451 1.00 15.52 H new ATOM 0 HD11 LEU A 10 -3.924 13.689 1.456 1.00 63.21 H new ATOM 0 HD12 LEU A 10 -3.759 11.918 1.403 1.00 63.21 H new ATOM 0 HD13 LEU A 10 -3.511 12.879 -0.074 1.00 63.21 H new ATOM 0 HD21 LEU A 10 -5.865 14.794 0.421 1.00 72.34 H new ATOM 0 HD22 LEU A 10 -5.528 14.025 -1.148 1.00 72.34 H new ATOM 0 HD23 LEU A 10 -7.125 13.833 -0.388 1.00 72.34 H new ATOM 179 N ILE A 11 -7.155 8.688 -1.024 1.00 70.44 N ATOM 180 CA ILE A 11 -7.221 7.489 -1.851 1.00 73.33 C ATOM 181 C ILE A 11 -8.642 7.259 -2.373 1.00 24.42 C ATOM 182 O ILE A 11 -8.833 6.860 -3.525 1.00 11.12 O ATOM 183 CB ILE A 11 -6.736 6.244 -1.070 1.00 24.02 C ATOM 184 CG1 ILE A 11 -5.298 6.461 -0.591 1.00 30.43 C ATOM 185 CG2 ILE A 11 -6.831 4.990 -1.933 1.00 22.40 C ATOM 186 CD1 ILE A 11 -4.764 5.344 0.280 1.00 74.13 C ATOM 0 H ILE A 11 -6.896 8.513 -0.053 1.00 70.44 H new ATOM 0 HA ILE A 11 -6.558 7.643 -2.702 1.00 73.33 H new ATOM 0 HB ILE A 11 -7.381 6.102 -0.203 1.00 24.02 H new ATOM 0 HG12 ILE A 11 -4.649 6.572 -1.460 1.00 30.43 H new ATOM 0 HG13 ILE A 11 -5.249 7.397 -0.035 1.00 30.43 H new ATOM 0 HG21 ILE A 11 -6.485 4.128 -1.362 1.00 22.40 H new ATOM 0 HG22 ILE A 11 -7.867 4.833 -2.234 1.00 22.40 H new ATOM 0 HG23 ILE A 11 -6.210 5.111 -2.820 1.00 22.40 H new ATOM 0 HD11 ILE A 11 -3.741 5.572 0.578 1.00 74.13 H new ATOM 0 HD12 ILE A 11 -5.387 5.246 1.169 1.00 74.13 H new ATOM 0 HD13 ILE A 11 -4.779 4.408 -0.279 1.00 74.13 H new ATOM 198 N ASN A 12 -9.636 7.520 -1.530 1.00 43.33 N ATOM 199 CA ASN A 12 -11.034 7.396 -1.939 1.00 2.30 C ATOM 200 C ASN A 12 -11.393 8.495 -2.933 1.00 72.20 C ATOM 201 O ASN A 12 -12.105 8.258 -3.908 1.00 21.02 O ATOM 202 CB ASN A 12 -11.978 7.471 -0.734 1.00 42.23 C ATOM 203 CG ASN A 12 -11.778 6.342 0.260 1.00 44.34 C ATOM 204 OD1 ASN A 12 -11.342 5.246 -0.096 1.00 42.41 O ATOM 205 ND2 ASN A 12 -12.117 6.600 1.515 1.00 31.04 N ATOM 0 H ASN A 12 -9.502 7.817 -0.564 1.00 43.33 H new ATOM 0 HA ASN A 12 -11.154 6.421 -2.411 1.00 2.30 H new ATOM 0 HB2 ASN A 12 -11.830 8.424 -0.225 1.00 42.23 H new ATOM 0 HB3 ASN A 12 -13.009 7.455 -1.088 1.00 42.23 H new ATOM 0 HD21 ASN A 12 -12.021 5.877 2.228 1.00 31.04 H new ATOM 0 HD22 ASN A 12 -12.474 7.521 1.768 1.00 31.04 H new ATOM 212 N GLN A 13 -10.878 9.695 -2.683 1.00 5.40 N ATOM 213 CA GLN A 13 -11.136 10.843 -3.549 1.00 10.30 C ATOM 214 C GLN A 13 -10.540 10.623 -4.933 1.00 71.11 C ATOM 215 O GLN A 13 -11.081 11.087 -5.937 1.00 53.05 O ATOM 216 CB GLN A 13 -10.556 12.122 -2.936 1.00 51.02 C ATOM 217 CG GLN A 13 -11.263 12.568 -1.668 1.00 34.42 C ATOM 218 CD GLN A 13 -10.644 13.811 -1.064 1.00 20.22 C ATOM 219 OE1 GLN A 13 -9.685 13.622 -0.173 1.00 73.23 O flip ATOM 220 NE2 GLN A 13 -11.023 14.932 -1.397 1.00 2.32 N flip ATOM 0 H GLN A 13 -10.277 9.899 -1.885 1.00 5.40 H new ATOM 0 HA GLN A 13 -12.216 10.952 -3.645 1.00 10.30 H new ATOM 0 HB2 GLN A 13 -9.501 11.962 -2.716 1.00 51.02 H new ATOM 0 HB3 GLN A 13 -10.610 12.924 -3.672 1.00 51.02 H new ATOM 0 HG2 GLN A 13 -12.313 12.760 -1.890 1.00 34.42 H new ATOM 0 HG3 GLN A 13 -11.234 11.760 -0.937 1.00 34.42 H new ATOM 0 HE21 GLN A 13 -11.766 15.035 -2.088 1.00 2.32 H new ATOM 0 HE22 GLN A 13 -10.594 15.759 -0.982 1.00 2.32 H new ATOM 229 N GLY A 14 -9.428 9.909 -4.980 1.00 35.14 N ATOM 230 CA GLY A 14 -8.771 9.644 -6.240 1.00 3.22 C ATOM 231 C GLY A 14 -7.465 10.397 -6.356 1.00 44.01 C ATOM 232 O GLY A 14 -6.757 10.281 -7.357 1.00 42.42 O ATOM 0 H GLY A 14 -8.967 9.507 -4.164 1.00 35.14 H new ATOM 0 HA2 GLY A 14 -8.585 8.574 -6.336 1.00 3.22 H new ATOM 0 HA3 GLY A 14 -9.429 9.928 -7.061 1.00 3.22 H new ATOM 236 N ASP A 15 -7.143 11.169 -5.327 1.00 55.50 N ATOM 237 CA ASP A 15 -5.894 11.914 -5.303 1.00 4.33 C ATOM 238 C ASP A 15 -4.784 11.011 -4.790 1.00 35.12 C ATOM 239 O ASP A 15 -4.427 11.034 -3.607 1.00 53.05 O ATOM 240 CB ASP A 15 -6.009 13.163 -4.428 1.00 25.42 C ATOM 241 CG ASP A 15 -4.868 14.137 -4.653 1.00 33.01 C ATOM 242 OD1 ASP A 15 -3.733 13.694 -4.934 1.00 24.35 O ATOM 243 OD2 ASP A 15 -5.103 15.358 -4.546 1.00 21.13 O ATOM 0 H ASP A 15 -7.728 11.295 -4.501 1.00 55.50 H new ATOM 0 HA ASP A 15 -5.663 12.243 -6.316 1.00 4.33 H new ATOM 0 HB2 ASP A 15 -6.955 13.663 -4.636 1.00 25.42 H new ATOM 0 HB3 ASP A 15 -6.029 12.867 -3.379 1.00 25.42 H new ATOM 248 N ILE A 16 -4.276 10.182 -5.683 1.00 33.22 N ATOM 249 CA ILE A 16 -3.268 9.201 -5.330 1.00 23.35 C ATOM 250 C ILE A 16 -1.938 9.870 -5.024 1.00 5.55 C ATOM 251 O ILE A 16 -1.228 9.457 -4.108 1.00 34.53 O ATOM 252 CB ILE A 16 -3.081 8.166 -6.459 1.00 54.25 C ATOM 253 CG1 ILE A 16 -4.404 7.444 -6.743 1.00 61.44 C ATOM 254 CG2 ILE A 16 -1.989 7.169 -6.100 1.00 72.15 C ATOM 255 CD1 ILE A 16 -4.993 6.754 -5.532 1.00 0.23 C ATOM 0 H ILE A 16 -4.548 10.169 -6.666 1.00 33.22 H new ATOM 0 HA ILE A 16 -3.616 8.685 -4.435 1.00 23.35 H new ATOM 0 HB ILE A 16 -2.774 8.692 -7.363 1.00 54.25 H new ATOM 0 HG12 ILE A 16 -5.126 8.165 -7.126 1.00 61.44 H new ATOM 0 HG13 ILE A 16 -4.243 6.706 -7.528 1.00 61.44 H new ATOM 0 HG21 ILE A 16 -1.874 6.448 -6.910 1.00 72.15 H new ATOM 0 HG22 ILE A 16 -1.048 7.698 -5.949 1.00 72.15 H new ATOM 0 HG23 ILE A 16 -2.262 6.645 -5.184 1.00 72.15 H new ATOM 0 HD11 ILE A 16 -5.927 6.266 -5.810 1.00 0.23 H new ATOM 0 HD12 ILE A 16 -4.290 6.008 -5.160 1.00 0.23 H new ATOM 0 HD13 ILE A 16 -5.187 7.490 -4.752 1.00 0.23 H new ATOM 267 N GLU A 17 -1.614 10.913 -5.775 1.00 12.42 N ATOM 268 CA GLU A 17 -0.348 11.610 -5.598 1.00 2.22 C ATOM 269 C GLU A 17 -0.226 12.183 -4.197 1.00 54.21 C ATOM 270 O GLU A 17 0.776 11.960 -3.519 1.00 33.04 O ATOM 271 CB GLU A 17 -0.190 12.715 -6.634 1.00 3.21 C ATOM 272 CG GLU A 17 0.047 12.180 -8.029 1.00 65.40 C ATOM 273 CD GLU A 17 0.253 13.278 -9.045 1.00 44.40 C ATOM 274 OE1 GLU A 17 1.368 13.832 -9.102 1.00 42.50 O ATOM 275 OE2 GLU A 17 -0.704 13.595 -9.787 1.00 62.14 O ATOM 0 H GLU A 17 -2.208 11.294 -6.511 1.00 12.42 H new ATOM 0 HA GLU A 17 0.451 10.882 -5.739 1.00 2.22 H new ATOM 0 HB2 GLU A 17 -1.085 13.337 -6.635 1.00 3.21 H new ATOM 0 HB3 GLU A 17 0.643 13.357 -6.349 1.00 3.21 H new ATOM 0 HG2 GLU A 17 0.921 11.529 -8.021 1.00 65.40 H new ATOM 0 HG3 GLU A 17 -0.804 11.568 -8.329 1.00 65.40 H new ATOM 282 N ASN A 18 -1.251 12.905 -3.753 1.00 22.14 N ATOM 283 CA ASN A 18 -1.245 13.477 -2.413 1.00 73.33 C ATOM 284 C ASN A 18 -1.176 12.383 -1.362 1.00 63.54 C ATOM 285 O ASN A 18 -0.463 12.515 -0.370 1.00 62.31 O ATOM 286 CB ASN A 18 -2.473 14.358 -2.184 1.00 12.33 C ATOM 287 CG ASN A 18 -2.179 15.823 -2.440 1.00 14.12 C ATOM 288 OD1 ASN A 18 -1.076 16.297 -2.177 1.00 74.12 O ATOM 289 ND2 ASN A 18 -3.149 16.545 -2.976 1.00 53.24 N ATOM 0 H ASN A 18 -2.090 13.106 -4.298 1.00 22.14 H new ATOM 0 HA ASN A 18 -0.357 14.102 -2.322 1.00 73.33 H new ATOM 0 HB2 ASN A 18 -3.281 14.031 -2.839 1.00 12.33 H new ATOM 0 HB3 ASN A 18 -2.823 14.232 -1.159 1.00 12.33 H new ATOM 0 HD21 ASN A 18 -2.995 17.531 -3.185 1.00 53.24 H new ATOM 0 HD22 ASN A 18 -4.051 16.115 -3.180 1.00 53.24 H new ATOM 296 N ALA A 19 -1.896 11.293 -1.596 1.00 23.44 N ATOM 297 CA ALA A 19 -1.863 10.156 -0.688 1.00 64.41 C ATOM 298 C ALA A 19 -0.455 9.572 -0.591 1.00 61.33 C ATOM 299 O ALA A 19 0.074 9.399 0.504 1.00 53.03 O ATOM 300 CB ALA A 19 -2.853 9.092 -1.129 1.00 42.55 C ATOM 0 H ALA A 19 -2.507 11.173 -2.404 1.00 23.44 H new ATOM 0 HA ALA A 19 -2.151 10.507 0.303 1.00 64.41 H new ATOM 0 HB1 ALA A 19 -2.814 8.250 -0.438 1.00 42.55 H new ATOM 0 HB2 ALA A 19 -3.859 9.511 -1.134 1.00 42.55 H new ATOM 0 HB3 ALA A 19 -2.597 8.750 -2.132 1.00 42.55 H new ATOM 306 N LEU A 20 0.154 9.300 -1.743 1.00 52.04 N ATOM 307 CA LEU A 20 1.482 8.686 -1.800 1.00 32.42 C ATOM 308 C LEU A 20 2.528 9.508 -1.056 1.00 31.35 C ATOM 309 O LEU A 20 3.252 8.979 -0.210 1.00 24.33 O ATOM 310 CB LEU A 20 1.925 8.506 -3.252 1.00 54.53 C ATOM 311 CG LEU A 20 1.169 7.439 -4.040 1.00 52.55 C ATOM 312 CD1 LEU A 20 1.675 7.384 -5.469 1.00 71.15 C ATOM 313 CD2 LEU A 20 1.320 6.084 -3.371 1.00 24.34 C ATOM 0 H LEU A 20 -0.254 9.496 -2.657 1.00 52.04 H new ATOM 0 HA LEU A 20 1.402 7.715 -1.312 1.00 32.42 H new ATOM 0 HB2 LEU A 20 1.816 9.460 -3.768 1.00 54.53 H new ATOM 0 HB3 LEU A 20 2.986 8.257 -3.262 1.00 54.53 H new ATOM 0 HG LEU A 20 0.111 7.701 -4.057 1.00 52.55 H new ATOM 0 HD11 LEU A 20 1.127 6.619 -6.020 1.00 71.15 H new ATOM 0 HD12 LEU A 20 1.524 8.352 -5.946 1.00 71.15 H new ATOM 0 HD13 LEU A 20 2.738 7.141 -5.470 1.00 71.15 H new ATOM 0 HD21 LEU A 20 0.776 5.333 -3.944 1.00 24.34 H new ATOM 0 HD22 LEU A 20 2.375 5.814 -3.329 1.00 24.34 H new ATOM 0 HD23 LEU A 20 0.917 6.131 -2.359 1.00 24.34 H new ATOM 325 N GLN A 21 2.606 10.796 -1.370 1.00 40.12 N ATOM 326 CA GLN A 21 3.615 11.654 -0.765 1.00 54.04 C ATOM 327 C GLN A 21 3.346 11.854 0.723 1.00 71.44 C ATOM 328 O GLN A 21 4.280 11.911 1.518 1.00 53.21 O ATOM 329 CB GLN A 21 3.716 12.998 -1.498 1.00 52.51 C ATOM 330 CG GLN A 21 2.394 13.714 -1.699 1.00 63.41 C ATOM 331 CD GLN A 21 2.524 14.911 -2.621 1.00 14.33 C ATOM 332 OE1 GLN A 21 1.490 15.172 -3.403 1.00 5.13 O flip ATOM 333 NE2 GLN A 21 3.561 15.573 -2.655 1.00 40.34 N flip ATOM 0 H GLN A 21 1.989 11.265 -2.033 1.00 40.12 H new ATOM 0 HA GLN A 21 4.578 11.153 -0.864 1.00 54.04 H new ATOM 0 HB2 GLN A 21 4.386 13.651 -0.939 1.00 52.51 H new ATOM 0 HB3 GLN A 21 4.174 12.831 -2.473 1.00 52.51 H new ATOM 0 HG2 GLN A 21 1.665 13.017 -2.112 1.00 63.41 H new ATOM 0 HG3 GLN A 21 2.010 14.042 -0.733 1.00 63.41 H new ATOM 0 HE21 GLN A 21 4.336 15.339 -2.035 1.00 40.34 H new ATOM 0 HE22 GLN A 21 3.645 16.356 -3.303 1.00 40.34 H new ATOM 342 N ALA A 22 2.074 11.918 1.104 1.00 11.42 N ATOM 343 CA ALA A 22 1.715 12.050 2.511 1.00 74.51 C ATOM 344 C ALA A 22 2.109 10.794 3.283 1.00 74.34 C ATOM 345 O ALA A 22 2.514 10.869 4.439 1.00 22.25 O ATOM 346 CB ALA A 22 0.227 12.324 2.665 1.00 31.00 C ATOM 0 H ALA A 22 1.281 11.881 0.464 1.00 11.42 H new ATOM 0 HA ALA A 22 2.262 12.897 2.924 1.00 74.51 H new ATOM 0 HB1 ALA A 22 -0.018 12.419 3.723 1.00 31.00 H new ATOM 0 HB2 ALA A 22 -0.028 13.250 2.149 1.00 31.00 H new ATOM 0 HB3 ALA A 22 -0.341 11.500 2.233 1.00 31.00 H new ATOM 352 N LEU A 23 2.000 9.645 2.624 1.00 11.53 N ATOM 353 CA LEU A 23 2.338 8.363 3.234 1.00 1.14 C ATOM 354 C LEU A 23 3.823 8.268 3.570 1.00 42.13 C ATOM 355 O LEU A 23 4.188 7.886 4.683 1.00 10.23 O ATOM 356 CB LEU A 23 1.922 7.218 2.309 1.00 52.41 C ATOM 357 CG LEU A 23 0.421 6.938 2.283 1.00 23.45 C ATOM 358 CD1 LEU A 23 0.036 6.173 1.031 1.00 24.44 C ATOM 359 CD2 LEU A 23 0.015 6.161 3.527 1.00 52.02 C ATOM 0 H LEU A 23 1.677 9.575 1.659 1.00 11.53 H new ATOM 0 HA LEU A 23 1.789 8.284 4.172 1.00 1.14 H new ATOM 0 HB2 LEU A 23 2.254 7.447 1.296 1.00 52.41 H new ATOM 0 HB3 LEU A 23 2.443 6.311 2.617 1.00 52.41 H new ATOM 0 HG LEU A 23 -0.109 7.891 2.273 1.00 23.45 H new ATOM 0 HD11 LEU A 23 -1.038 5.985 1.035 1.00 24.44 H new ATOM 0 HD12 LEU A 23 0.298 6.760 0.151 1.00 24.44 H new ATOM 0 HD13 LEU A 23 0.570 5.223 1.006 1.00 24.44 H new ATOM 0 HD21 LEU A 23 -1.057 5.966 3.500 1.00 52.02 H new ATOM 0 HD22 LEU A 23 0.556 5.215 3.558 1.00 52.02 H new ATOM 0 HD23 LEU A 23 0.255 6.745 4.415 1.00 52.02 H new ATOM 371 N GLU A 24 4.682 8.625 2.622 1.00 21.40 N ATOM 372 CA GLU A 24 6.119 8.574 2.865 1.00 3.43 C ATOM 373 C GLU A 24 6.549 9.673 3.838 1.00 34.10 C ATOM 374 O GLU A 24 7.511 9.503 4.589 1.00 63.34 O ATOM 375 CB GLU A 24 6.919 8.626 1.556 1.00 61.03 C ATOM 376 CG GLU A 24 6.438 9.656 0.549 1.00 72.23 C ATOM 377 CD GLU A 24 7.203 9.575 -0.756 1.00 53.45 C ATOM 378 OE1 GLU A 24 7.455 8.445 -1.236 1.00 1.02 O ATOM 379 OE2 GLU A 24 7.554 10.635 -1.314 1.00 14.41 O ATOM 0 H GLU A 24 4.415 8.948 1.692 1.00 21.40 H new ATOM 0 HA GLU A 24 6.342 7.615 3.332 1.00 3.43 H new ATOM 0 HB2 GLU A 24 7.963 8.833 1.794 1.00 61.03 H new ATOM 0 HB3 GLU A 24 6.887 7.642 1.089 1.00 61.03 H new ATOM 0 HG2 GLU A 24 5.376 9.506 0.356 1.00 72.23 H new ATOM 0 HG3 GLU A 24 6.547 10.655 0.972 1.00 72.23 H new ATOM 386 N GLU A 25 5.830 10.789 3.833 1.00 33.34 N ATOM 387 CA GLU A 25 6.024 11.825 4.847 1.00 61.35 C ATOM 388 C GLU A 25 5.620 11.290 6.222 1.00 55.44 C ATOM 389 O GLU A 25 6.308 11.514 7.220 1.00 74.34 O ATOM 390 CB GLU A 25 5.196 13.072 4.514 1.00 60.24 C ATOM 391 CG GLU A 25 5.711 13.865 3.323 1.00 13.42 C ATOM 392 CD GLU A 25 6.980 14.629 3.630 1.00 60.55 C ATOM 393 OE1 GLU A 25 6.893 15.676 4.308 1.00 4.53 O ATOM 394 OE2 GLU A 25 8.067 14.207 3.182 1.00 20.45 O ATOM 0 H GLU A 25 5.110 11.002 3.143 1.00 33.34 H new ATOM 0 HA GLU A 25 7.078 12.101 4.860 1.00 61.35 H new ATOM 0 HB2 GLU A 25 4.168 12.769 4.317 1.00 60.24 H new ATOM 0 HB3 GLU A 25 5.174 13.724 5.388 1.00 60.24 H new ATOM 0 HG2 GLU A 25 5.895 13.184 2.492 1.00 13.42 H new ATOM 0 HG3 GLU A 25 4.941 14.565 2.998 1.00 13.42 H new ATOM 401 N PHE A 26 4.506 10.564 6.250 1.00 4.24 N ATOM 402 CA PHE A 26 3.983 9.962 7.474 1.00 41.00 C ATOM 403 C PHE A 26 4.985 8.999 8.100 1.00 10.23 C ATOM 404 O PHE A 26 5.038 8.866 9.324 1.00 32.12 O ATOM 405 CB PHE A 26 2.669 9.226 7.183 1.00 61.13 C ATOM 406 CG PHE A 26 2.223 8.308 8.292 1.00 20.34 C ATOM 407 CD1 PHE A 26 1.551 8.802 9.399 1.00 61.55 C ATOM 408 CD2 PHE A 26 2.489 6.948 8.228 1.00 55.33 C ATOM 409 CE1 PHE A 26 1.154 7.958 10.418 1.00 4.20 C ATOM 410 CE2 PHE A 26 2.096 6.101 9.245 1.00 44.14 C ATOM 411 CZ PHE A 26 1.427 6.606 10.343 1.00 23.34 C ATOM 0 H PHE A 26 3.939 10.376 5.423 1.00 4.24 H new ATOM 0 HA PHE A 26 3.800 10.768 8.185 1.00 41.00 H new ATOM 0 HB2 PHE A 26 1.886 9.961 6.997 1.00 61.13 H new ATOM 0 HB3 PHE A 26 2.785 8.645 6.268 1.00 61.13 H new ATOM 0 HD1 PHE A 26 1.335 9.858 9.466 1.00 61.55 H new ATOM 0 HD2 PHE A 26 3.010 6.547 7.372 1.00 55.33 H new ATOM 0 HE1 PHE A 26 0.630 8.356 11.274 1.00 4.20 H new ATOM 0 HE2 PHE A 26 2.311 5.045 9.182 1.00 44.14 H new ATOM 0 HZ PHE A 26 1.118 5.946 11.140 1.00 23.34 H new ATOM 421 N LEU A 27 5.779 8.338 7.267 1.00 53.31 N ATOM 422 CA LEU A 27 6.738 7.344 7.744 1.00 3.52 C ATOM 423 C LEU A 27 7.719 7.946 8.748 1.00 31.33 C ATOM 424 O LEU A 27 8.254 7.246 9.607 1.00 72.22 O ATOM 425 CB LEU A 27 7.513 6.735 6.572 1.00 51.24 C ATOM 426 CG LEU A 27 6.657 6.069 5.491 1.00 11.11 C ATOM 427 CD1 LEU A 27 7.538 5.513 4.383 1.00 42.55 C ATOM 428 CD2 LEU A 27 5.794 4.968 6.086 1.00 32.31 C ATOM 0 H LEU A 27 5.779 8.471 6.256 1.00 53.31 H new ATOM 0 HA LEU A 27 6.169 6.562 8.246 1.00 3.52 H new ATOM 0 HB2 LEU A 27 8.109 7.520 6.106 1.00 51.24 H new ATOM 0 HB3 LEU A 27 8.211 5.996 6.965 1.00 51.24 H new ATOM 0 HG LEU A 27 5.998 6.825 5.065 1.00 11.11 H new ATOM 0 HD11 LEU A 27 6.914 5.043 3.623 1.00 42.55 H new ATOM 0 HD12 LEU A 27 8.110 6.324 3.932 1.00 42.55 H new ATOM 0 HD13 LEU A 27 8.222 4.773 4.799 1.00 42.55 H new ATOM 0 HD21 LEU A 27 5.195 4.510 5.299 1.00 32.31 H new ATOM 0 HD22 LEU A 27 6.433 4.212 6.543 1.00 32.31 H new ATOM 0 HD23 LEU A 27 5.135 5.392 6.844 1.00 32.31 H new ATOM 440 N GLN A 28 7.939 9.247 8.638 1.00 50.31 N ATOM 441 CA GLN A 28 8.848 9.954 9.533 1.00 15.11 C ATOM 442 C GLN A 28 8.142 10.381 10.817 1.00 15.23 C ATOM 443 O GLN A 28 8.785 10.792 11.781 1.00 43.02 O ATOM 444 CB GLN A 28 9.419 11.187 8.832 1.00 50.20 C ATOM 445 CG GLN A 28 10.302 10.863 7.639 1.00 31.44 C ATOM 446 CD GLN A 28 10.765 12.105 6.898 1.00 53.11 C ATOM 447 OE1 GLN A 28 9.923 13.129 6.865 1.00 2.13 O flip ATOM 448 NE2 GLN A 28 11.864 12.139 6.342 1.00 4.13 N flip ATOM 0 H GLN A 28 7.499 9.839 7.934 1.00 50.31 H new ATOM 0 HA GLN A 28 9.656 9.271 9.795 1.00 15.11 H new ATOM 0 HB2 GLN A 28 8.595 11.819 8.501 1.00 50.20 H new ATOM 0 HB3 GLN A 28 9.996 11.767 9.552 1.00 50.20 H new ATOM 0 HG2 GLN A 28 11.173 10.302 7.978 1.00 31.44 H new ATOM 0 HG3 GLN A 28 9.755 10.218 6.952 1.00 31.44 H new ATOM 0 HE21 GLN A 28 12.485 11.331 6.390 1.00 4.13 H new ATOM 0 HE22 GLN A 28 12.153 12.975 5.834 1.00 4.13 H new ATOM 457 N THR A 29 6.821 10.273 10.833 1.00 60.54 N ATOM 458 CA THR A 29 6.039 10.779 11.953 1.00 21.43 C ATOM 459 C THR A 29 5.660 9.656 12.920 1.00 41.25 C ATOM 460 O THR A 29 5.868 9.768 14.132 1.00 14.12 O ATOM 461 CB THR A 29 4.767 11.515 11.464 1.00 11.45 C ATOM 462 OG1 THR A 29 3.805 10.589 10.939 1.00 60.44 O ATOM 463 CG2 THR A 29 5.123 12.517 10.379 1.00 1.43 C ATOM 0 H THR A 29 6.271 9.843 10.089 1.00 60.54 H new ATOM 0 HA THR A 29 6.666 11.493 12.486 1.00 21.43 H new ATOM 0 HB THR A 29 4.335 12.032 12.321 1.00 11.45 H new ATOM 0 HG1 THR A 29 4.242 9.994 10.294 1.00 60.44 H new ATOM 0 HG21 THR A 29 4.220 13.027 10.044 1.00 1.43 H new ATOM 0 HG22 THR A 29 5.827 13.248 10.776 1.00 1.43 H new ATOM 0 HG23 THR A 29 5.578 11.995 9.537 1.00 1.43 H new ATOM 471 N GLU A 30 5.115 8.571 12.382 1.00 31.01 N ATOM 472 CA GLU A 30 4.703 7.440 13.199 1.00 3.34 C ATOM 473 C GLU A 30 5.171 6.132 12.575 1.00 40.35 C ATOM 474 O GLU A 30 4.473 5.545 11.748 1.00 54.31 O ATOM 475 CB GLU A 30 3.178 7.415 13.369 1.00 42.32 C ATOM 476 CG GLU A 30 2.607 8.668 14.015 1.00 20.21 C ATOM 477 CD GLU A 30 1.098 8.624 14.152 1.00 21.34 C ATOM 478 OE1 GLU A 30 0.602 8.018 15.125 1.00 23.02 O ATOM 479 OE2 GLU A 30 0.402 9.200 13.293 1.00 23.31 O ATOM 0 H GLU A 30 4.949 8.452 11.383 1.00 31.01 H new ATOM 0 HA GLU A 30 5.163 7.552 14.181 1.00 3.34 H new ATOM 0 HB2 GLU A 30 2.716 7.280 12.391 1.00 42.32 H new ATOM 0 HB3 GLU A 30 2.904 6.550 13.973 1.00 42.32 H new ATOM 0 HG2 GLU A 30 3.053 8.798 15.001 1.00 20.21 H new ATOM 0 HG3 GLU A 30 2.888 9.538 13.421 1.00 20.21 H new ATOM 486 N PRO A 31 6.371 5.663 12.949 1.00 51.03 N ATOM 487 CA PRO A 31 6.911 4.388 12.461 1.00 0.33 C ATOM 488 C PRO A 31 6.062 3.202 12.907 1.00 32.24 C ATOM 489 O PRO A 31 6.087 2.134 12.298 1.00 65.24 O ATOM 490 CB PRO A 31 8.308 4.318 13.090 1.00 55.32 C ATOM 491 CG PRO A 31 8.262 5.253 14.249 1.00 34.34 C ATOM 492 CD PRO A 31 7.306 6.344 13.860 1.00 15.42 C ATOM 0 HA PRO A 31 6.925 4.340 11.372 1.00 0.33 H new ATOM 0 HB2 PRO A 31 8.545 3.304 13.411 1.00 55.32 H new ATOM 0 HB3 PRO A 31 9.077 4.614 12.376 1.00 55.32 H new ATOM 0 HG2 PRO A 31 7.925 4.741 15.150 1.00 34.34 H new ATOM 0 HG3 PRO A 31 9.251 5.658 14.463 1.00 34.34 H new ATOM 0 HD2 PRO A 31 6.793 6.758 14.728 1.00 15.42 H new ATOM 0 HD3 PRO A 31 7.818 7.171 13.368 1.00 15.42 H new ATOM 500 N VAL A 32 5.294 3.417 13.963 1.00 61.40 N ATOM 501 CA VAL A 32 4.436 2.384 14.521 1.00 33.20 C ATOM 502 C VAL A 32 3.285 2.035 13.569 1.00 64.13 C ATOM 503 O VAL A 32 2.756 0.925 13.606 1.00 53.23 O ATOM 504 CB VAL A 32 3.876 2.820 15.894 1.00 40.41 C ATOM 505 CG1 VAL A 32 3.051 4.093 15.771 1.00 51.21 C ATOM 506 CG2 VAL A 32 3.056 1.706 16.527 1.00 1.12 C ATOM 0 H VAL A 32 5.248 4.309 14.456 1.00 61.40 H new ATOM 0 HA VAL A 32 5.046 1.491 14.656 1.00 33.20 H new ATOM 0 HB VAL A 32 4.724 3.030 16.546 1.00 40.41 H new ATOM 0 HG11 VAL A 32 2.670 4.376 16.752 1.00 51.21 H new ATOM 0 HG12 VAL A 32 3.676 4.895 15.379 1.00 51.21 H new ATOM 0 HG13 VAL A 32 2.215 3.921 15.093 1.00 51.21 H new ATOM 0 HG21 VAL A 32 2.674 2.039 17.492 1.00 1.12 H new ATOM 0 HG22 VAL A 32 2.221 1.453 15.874 1.00 1.12 H new ATOM 0 HG23 VAL A 32 3.685 0.827 16.669 1.00 1.12 H new ATOM 516 N GLY A 33 2.925 2.966 12.696 1.00 33.13 N ATOM 517 CA GLY A 33 1.804 2.740 11.805 1.00 22.25 C ATOM 518 C GLY A 33 2.217 2.630 10.351 1.00 1.35 C ATOM 519 O GLY A 33 1.422 2.904 9.453 1.00 61.44 O ATOM 0 H GLY A 33 3.386 3.869 12.589 1.00 33.13 H new ATOM 0 HA2 GLY A 33 1.290 1.826 12.101 1.00 22.25 H new ATOM 0 HA3 GLY A 33 1.090 3.557 11.914 1.00 22.25 H new ATOM 523 N LYS A 34 3.455 2.214 10.110 1.00 60.10 N ATOM 524 CA LYS A 34 3.968 2.119 8.749 1.00 63.31 C ATOM 525 C LYS A 34 3.332 0.961 7.986 1.00 3.42 C ATOM 526 O LYS A 34 3.192 1.027 6.770 1.00 31.34 O ATOM 527 CB LYS A 34 5.490 1.976 8.744 1.00 12.11 C ATOM 528 CG LYS A 34 6.224 3.229 9.195 1.00 2.14 C ATOM 529 CD LYS A 34 7.730 3.071 9.055 1.00 3.44 C ATOM 530 CE LYS A 34 8.237 1.894 9.872 1.00 3.42 C ATOM 531 NZ LYS A 34 9.701 1.688 9.721 1.00 11.54 N ATOM 0 H LYS A 34 4.118 1.939 10.834 1.00 60.10 H new ATOM 0 HA LYS A 34 3.701 3.046 8.242 1.00 63.31 H new ATOM 0 HB2 LYS A 34 5.770 1.148 9.395 1.00 12.11 H new ATOM 0 HB3 LYS A 34 5.818 1.716 7.738 1.00 12.11 H new ATOM 0 HG2 LYS A 34 5.890 4.081 8.603 1.00 2.14 H new ATOM 0 HG3 LYS A 34 5.974 3.445 10.234 1.00 2.14 H new ATOM 0 HD2 LYS A 34 7.987 2.926 8.006 1.00 3.44 H new ATOM 0 HD3 LYS A 34 8.226 3.985 9.382 1.00 3.44 H new ATOM 0 HE2 LYS A 34 8.002 2.058 10.924 1.00 3.42 H new ATOM 0 HE3 LYS A 34 7.712 0.989 9.565 1.00 3.42 H new ATOM 0 HZ1 LYS A 34 9.998 0.875 10.297 1.00 11.54 H new ATOM 0 HZ2 LYS A 34 9.925 1.505 8.722 1.00 11.54 H new ATOM 0 HZ3 LYS A 34 10.206 2.540 10.038 1.00 11.54 H new ATOM 545 N ASP A 35 2.939 -0.096 8.691 1.00 42.22 N ATOM 546 CA ASP A 35 2.295 -1.237 8.039 1.00 42.14 C ATOM 547 C ASP A 35 0.927 -0.830 7.504 1.00 51.55 C ATOM 548 O ASP A 35 0.509 -1.271 6.434 1.00 24.22 O ATOM 549 CB ASP A 35 2.174 -2.436 8.991 1.00 0.24 C ATOM 550 CG ASP A 35 1.141 -2.243 10.084 1.00 74.25 C ATOM 551 OD1 ASP A 35 1.286 -1.291 10.880 1.00 33.04 O ATOM 552 OD2 ASP A 35 0.194 -3.055 10.167 1.00 22.43 O ATOM 0 H ASP A 35 3.052 -0.189 9.700 1.00 42.22 H new ATOM 0 HA ASP A 35 2.922 -1.548 7.203 1.00 42.14 H new ATOM 0 HB2 ASP A 35 1.917 -3.324 8.413 1.00 0.24 H new ATOM 0 HB3 ASP A 35 3.145 -2.624 9.450 1.00 0.24 H new ATOM 557 N GLU A 36 0.251 0.035 8.248 1.00 62.11 N ATOM 558 CA GLU A 36 -0.997 0.634 7.796 1.00 12.41 C ATOM 559 C GLU A 36 -0.720 1.528 6.589 1.00 3.01 C ATOM 560 O GLU A 36 -1.465 1.528 5.608 1.00 30.21 O ATOM 561 CB GLU A 36 -1.612 1.459 8.930 1.00 23.33 C ATOM 562 CG GLU A 36 -2.960 2.087 8.602 1.00 44.31 C ATOM 563 CD GLU A 36 -4.134 1.196 8.957 1.00 65.42 C ATOM 564 OE1 GLU A 36 -4.174 0.682 10.097 1.00 12.14 O ATOM 565 OE2 GLU A 36 -5.049 1.044 8.124 1.00 4.20 O ATOM 0 H GLU A 36 0.549 0.339 9.175 1.00 62.11 H new ATOM 0 HA GLU A 36 -1.698 -0.150 7.509 1.00 12.41 H new ATOM 0 HB2 GLU A 36 -1.728 0.819 9.805 1.00 23.33 H new ATOM 0 HB3 GLU A 36 -0.915 2.251 9.204 1.00 23.33 H new ATOM 0 HG2 GLU A 36 -3.054 3.032 9.138 1.00 44.31 H new ATOM 0 HG3 GLU A 36 -2.997 2.319 7.538 1.00 44.31 H new ATOM 572 N ALA A 37 0.375 2.277 6.675 1.00 72.13 N ATOM 573 CA ALA A 37 0.777 3.191 5.614 1.00 55.34 C ATOM 574 C ALA A 37 1.108 2.446 4.325 1.00 11.14 C ATOM 575 O ALA A 37 0.562 2.762 3.272 1.00 0.11 O ATOM 576 CB ALA A 37 1.967 4.028 6.057 1.00 43.14 C ATOM 0 H ALA A 37 1.005 2.267 7.477 1.00 72.13 H new ATOM 0 HA ALA A 37 -0.067 3.850 5.411 1.00 55.34 H new ATOM 0 HB1 ALA A 37 2.255 4.705 5.253 1.00 43.14 H new ATOM 0 HB2 ALA A 37 1.696 4.607 6.940 1.00 43.14 H new ATOM 0 HB3 ALA A 37 2.804 3.372 6.296 1.00 43.14 H new ATOM 582 N TYR A 38 1.988 1.453 4.412 1.00 22.44 N ATOM 583 CA TYR A 38 2.399 0.687 3.235 1.00 14.24 C ATOM 584 C TYR A 38 1.211 -0.018 2.593 1.00 21.54 C ATOM 585 O TYR A 38 1.154 -0.172 1.370 1.00 74.51 O ATOM 586 CB TYR A 38 3.485 -0.328 3.593 1.00 14.54 C ATOM 587 CG TYR A 38 4.848 0.295 3.802 1.00 12.34 C ATOM 588 CD1 TYR A 38 5.467 0.997 2.776 1.00 1.02 C ATOM 589 CD2 TYR A 38 5.513 0.194 5.018 1.00 61.32 C ATOM 590 CE1 TYR A 38 6.707 1.577 2.953 1.00 11.23 C ATOM 591 CE2 TYR A 38 6.754 0.774 5.204 1.00 11.52 C ATOM 592 CZ TYR A 38 7.346 1.464 4.167 1.00 70.11 C ATOM 593 OH TYR A 38 8.578 2.050 4.345 1.00 51.44 O ATOM 0 H TYR A 38 2.431 1.159 5.282 1.00 22.44 H new ATOM 0 HA TYR A 38 2.809 1.393 2.513 1.00 14.24 H new ATOM 0 HB2 TYR A 38 3.193 -0.856 4.501 1.00 14.54 H new ATOM 0 HB3 TYR A 38 3.552 -1.072 2.799 1.00 14.54 H new ATOM 0 HD1 TYR A 38 4.969 1.091 1.822 1.00 1.02 H new ATOM 0 HD2 TYR A 38 5.052 -0.347 5.832 1.00 61.32 H new ATOM 0 HE1 TYR A 38 7.174 2.117 2.143 1.00 11.23 H new ATOM 0 HE2 TYR A 38 7.257 0.687 6.156 1.00 11.52 H new ATOM 0 HH TYR A 38 8.893 1.879 5.257 1.00 51.44 H new ATOM 603 N TYR A 39 0.263 -0.435 3.421 1.00 51.01 N ATOM 604 CA TYR A 39 -0.984 -1.008 2.934 1.00 44.31 C ATOM 605 C TYR A 39 -1.725 0.009 2.064 1.00 44.21 C ATOM 606 O TYR A 39 -2.245 -0.324 0.997 1.00 73.21 O ATOM 607 CB TYR A 39 -1.849 -1.441 4.125 1.00 33.20 C ATOM 608 CG TYR A 39 -3.254 -1.873 3.760 1.00 33.45 C ATOM 609 CD1 TYR A 39 -3.508 -3.146 3.268 1.00 33.31 C ATOM 610 CD2 TYR A 39 -4.329 -1.007 3.925 1.00 63.23 C ATOM 611 CE1 TYR A 39 -4.792 -3.543 2.947 1.00 22.41 C ATOM 612 CE2 TYR A 39 -5.615 -1.396 3.605 1.00 21.01 C ATOM 613 CZ TYR A 39 -5.842 -2.664 3.117 1.00 71.23 C ATOM 614 OH TYR A 39 -7.125 -3.053 2.803 1.00 22.33 O ATOM 0 H TYR A 39 0.335 -0.387 4.437 1.00 51.01 H new ATOM 0 HA TYR A 39 -0.768 -1.884 2.322 1.00 44.31 H new ATOM 0 HB2 TYR A 39 -1.352 -2.264 4.638 1.00 33.20 H new ATOM 0 HB3 TYR A 39 -1.910 -0.614 4.833 1.00 33.20 H new ATOM 0 HD1 TYR A 39 -2.689 -3.837 3.134 1.00 33.31 H new ATOM 0 HD2 TYR A 39 -4.156 -0.013 4.310 1.00 63.23 H new ATOM 0 HE1 TYR A 39 -4.973 -4.537 2.565 1.00 22.41 H new ATOM 0 HE2 TYR A 39 -6.438 -0.710 3.737 1.00 21.01 H new ATOM 0 HH TYR A 39 -7.744 -2.315 2.983 1.00 22.33 H new ATOM 624 N LEU A 40 -1.745 1.254 2.521 1.00 54.34 N ATOM 625 CA LEU A 40 -2.390 2.336 1.790 1.00 12.22 C ATOM 626 C LEU A 40 -1.592 2.701 0.544 1.00 31.02 C ATOM 627 O LEU A 40 -2.165 2.991 -0.504 1.00 61.31 O ATOM 628 CB LEU A 40 -2.541 3.566 2.682 1.00 0.31 C ATOM 629 CG LEU A 40 -3.371 3.353 3.943 1.00 73.31 C ATOM 630 CD1 LEU A 40 -3.420 4.633 4.762 1.00 51.33 C ATOM 631 CD2 LEU A 40 -4.774 2.891 3.581 1.00 4.05 C ATOM 0 H LEU A 40 -1.318 1.541 3.402 1.00 54.34 H new ATOM 0 HA LEU A 40 -3.378 1.992 1.484 1.00 12.22 H new ATOM 0 HB2 LEU A 40 -1.548 3.909 2.973 1.00 0.31 H new ATOM 0 HB3 LEU A 40 -2.996 4.366 2.097 1.00 0.31 H new ATOM 0 HG LEU A 40 -2.901 2.576 4.546 1.00 73.31 H new ATOM 0 HD11 LEU A 40 -4.016 4.468 5.660 1.00 51.33 H new ATOM 0 HD12 LEU A 40 -2.408 4.922 5.046 1.00 51.33 H new ATOM 0 HD13 LEU A 40 -3.871 5.428 4.168 1.00 51.33 H new ATOM 0 HD21 LEU A 40 -5.355 2.743 4.492 1.00 4.05 H new ATOM 0 HD22 LEU A 40 -5.257 3.646 2.961 1.00 4.05 H new ATOM 0 HD23 LEU A 40 -4.717 1.952 3.030 1.00 4.05 H new ATOM 643 N MET A 41 -0.267 2.684 0.666 1.00 4.42 N ATOM 644 CA MET A 41 0.608 2.999 -0.459 1.00 62.24 C ATOM 645 C MET A 41 0.359 2.026 -1.600 1.00 45.54 C ATOM 646 O MET A 41 0.157 2.436 -2.744 1.00 23.05 O ATOM 647 CB MET A 41 2.084 2.958 -0.045 1.00 42.23 C ATOM 648 CG MET A 41 2.403 3.834 1.154 1.00 63.03 C ATOM 649 SD MET A 41 4.162 3.915 1.537 1.00 62.04 S ATOM 650 CE MET A 41 4.736 5.011 0.245 1.00 20.22 C ATOM 0 H MET A 41 0.223 2.456 1.531 1.00 4.42 H new ATOM 0 HA MET A 41 0.379 4.011 -0.792 1.00 62.24 H new ATOM 0 HB2 MET A 41 2.360 1.929 0.184 1.00 42.23 H new ATOM 0 HB3 MET A 41 2.698 3.273 -0.888 1.00 42.23 H new ATOM 0 HG2 MET A 41 2.033 4.842 0.966 1.00 63.03 H new ATOM 0 HG3 MET A 41 1.867 3.455 2.024 1.00 63.03 H new ATOM 0 HE1 MET A 41 5.565 4.544 -0.286 1.00 20.22 H new ATOM 0 HE2 MET A 41 3.922 5.208 -0.453 1.00 20.22 H new ATOM 0 HE3 MET A 41 5.071 5.950 0.686 1.00 20.22 H new ATOM 660 N GLY A 42 0.338 0.738 -1.274 1.00 64.51 N ATOM 661 CA GLY A 42 0.051 -0.279 -2.269 1.00 20.20 C ATOM 662 C GLY A 42 -1.330 -0.113 -2.875 1.00 52.51 C ATOM 663 O GLY A 42 -1.528 -0.356 -4.063 1.00 30.35 O ATOM 0 H GLY A 42 0.515 0.379 -0.336 1.00 64.51 H new ATOM 0 HA2 GLY A 42 0.801 -0.234 -3.059 1.00 20.20 H new ATOM 0 HA3 GLY A 42 0.129 -1.265 -1.811 1.00 20.20 H new ATOM 667 N ASN A 43 -2.281 0.318 -2.053 1.00 33.11 N ATOM 668 CA ASN A 43 -3.650 0.546 -2.509 1.00 20.54 C ATOM 669 C ASN A 43 -3.686 1.713 -3.497 1.00 43.45 C ATOM 670 O ASN A 43 -4.365 1.659 -4.527 1.00 14.31 O ATOM 671 CB ASN A 43 -4.557 0.840 -1.308 1.00 24.32 C ATOM 672 CG ASN A 43 -6.038 0.693 -1.618 1.00 33.11 C ATOM 673 OD1 ASN A 43 -6.475 0.861 -2.756 1.00 22.24 O ATOM 674 ND2 ASN A 43 -6.823 0.382 -0.596 1.00 64.35 N ATOM 0 H ASN A 43 -2.129 0.517 -1.064 1.00 33.11 H new ATOM 0 HA ASN A 43 -4.011 -0.350 -3.013 1.00 20.54 H new ATOM 0 HB2 ASN A 43 -4.296 0.166 -0.492 1.00 24.32 H new ATOM 0 HB3 ASN A 43 -4.366 1.854 -0.958 1.00 24.32 H new ATOM 0 HD21 ASN A 43 -7.827 0.274 -0.739 1.00 64.35 H new ATOM 0 HD22 ASN A 43 -6.423 0.251 0.333 1.00 64.35 H new ATOM 681 N ALA A 44 -2.934 2.760 -3.180 1.00 15.14 N ATOM 682 CA ALA A 44 -2.848 3.931 -4.037 1.00 10.14 C ATOM 683 C ALA A 44 -2.209 3.579 -5.381 1.00 34.50 C ATOM 684 O ALA A 44 -2.715 3.963 -6.438 1.00 1.44 O ATOM 685 CB ALA A 44 -2.068 5.037 -3.340 1.00 64.52 C ATOM 0 H ALA A 44 -2.373 2.820 -2.330 1.00 15.14 H new ATOM 0 HA ALA A 44 -3.859 4.290 -4.233 1.00 10.14 H new ATOM 0 HB1 ALA A 44 -2.011 5.908 -3.992 1.00 64.52 H new ATOM 0 HB2 ALA A 44 -2.573 5.310 -2.413 1.00 64.52 H new ATOM 0 HB3 ALA A 44 -1.061 4.686 -3.115 1.00 64.52 H new ATOM 691 N TYR A 45 -1.109 2.829 -5.338 1.00 30.31 N ATOM 692 CA TYR A 45 -0.438 2.385 -6.557 1.00 63.03 C ATOM 693 C TYR A 45 -1.350 1.479 -7.380 1.00 24.34 C ATOM 694 O TYR A 45 -1.243 1.421 -8.606 1.00 42.23 O ATOM 695 CB TYR A 45 0.868 1.655 -6.233 1.00 4.31 C ATOM 696 CG TYR A 45 2.005 2.570 -5.831 1.00 5.54 C ATOM 697 CD1 TYR A 45 2.611 3.400 -6.764 1.00 72.53 C ATOM 698 CD2 TYR A 45 2.479 2.595 -4.527 1.00 24.02 C ATOM 699 CE1 TYR A 45 3.656 4.230 -6.408 1.00 52.24 C ATOM 700 CE2 TYR A 45 3.525 3.421 -4.163 1.00 72.44 C ATOM 701 CZ TYR A 45 4.110 4.237 -5.108 1.00 34.25 C ATOM 702 OH TYR A 45 5.159 5.057 -4.755 1.00 53.10 O ATOM 0 H TYR A 45 -0.665 2.517 -4.474 1.00 30.31 H new ATOM 0 HA TYR A 45 -0.202 3.273 -7.144 1.00 63.03 H new ATOM 0 HB2 TYR A 45 0.684 0.945 -5.426 1.00 4.31 H new ATOM 0 HB3 TYR A 45 1.173 1.075 -7.104 1.00 4.31 H new ATOM 0 HD1 TYR A 45 2.260 3.397 -7.785 1.00 72.53 H new ATOM 0 HD2 TYR A 45 2.022 1.958 -3.784 1.00 24.02 H new ATOM 0 HE1 TYR A 45 4.115 4.871 -7.146 1.00 52.24 H new ATOM 0 HE2 TYR A 45 3.882 3.427 -3.144 1.00 72.44 H new ATOM 0 HH TYR A 45 5.356 4.944 -3.802 1.00 53.10 H new ATOM 712 N ARG A 46 -2.255 0.784 -6.697 1.00 31.20 N ATOM 713 CA ARG A 46 -3.232 -0.068 -7.362 1.00 4.20 C ATOM 714 C ARG A 46 -4.175 0.774 -8.215 1.00 15.43 C ATOM 715 O ARG A 46 -4.503 0.401 -9.340 1.00 10.22 O ATOM 716 CB ARG A 46 -4.039 -0.866 -6.335 1.00 42.21 C ATOM 717 CG ARG A 46 -4.956 -1.901 -6.963 1.00 75.52 C ATOM 718 CD ARG A 46 -5.853 -2.564 -5.931 1.00 24.12 C ATOM 719 NE ARG A 46 -6.920 -1.675 -5.466 1.00 44.22 N ATOM 720 CZ ARG A 46 -8.202 -1.822 -5.811 1.00 13.24 C ATOM 721 NH1 ARG A 46 -8.551 -2.774 -6.671 1.00 25.52 N ATOM 722 NH2 ARG A 46 -9.130 -1.014 -5.316 1.00 14.54 N ATOM 0 H ARG A 46 -2.331 0.795 -5.680 1.00 31.20 H new ATOM 0 HA ARG A 46 -2.694 -0.765 -8.005 1.00 4.20 H new ATOM 0 HB2 ARG A 46 -3.352 -1.366 -5.653 1.00 42.21 H new ATOM 0 HB3 ARG A 46 -4.636 -0.177 -5.738 1.00 42.21 H new ATOM 0 HG2 ARG A 46 -5.571 -1.425 -7.727 1.00 75.52 H new ATOM 0 HG3 ARG A 46 -4.356 -2.661 -7.464 1.00 75.52 H new ATOM 0 HD2 ARG A 46 -6.294 -3.463 -6.361 1.00 24.12 H new ATOM 0 HD3 ARG A 46 -5.251 -2.881 -5.080 1.00 24.12 H new ATOM 0 HE ARG A 46 -6.671 -0.904 -4.847 1.00 44.22 H new ATOM 0 HH11 ARG A 46 -7.840 -3.390 -7.066 1.00 25.52 H new ATOM 0 HH12 ARG A 46 -9.529 -2.888 -6.936 1.00 25.52 H new ATOM 0 HH21 ARG A 46 -8.867 -0.273 -4.666 1.00 14.54 H new ATOM 0 HH22 ARG A 46 -10.107 -1.134 -5.585 1.00 14.54 H new ATOM 736 N LYS A 47 -4.595 1.919 -7.680 1.00 54.15 N ATOM 737 CA LYS A 47 -5.482 2.817 -8.413 1.00 25.31 C ATOM 738 C LYS A 47 -4.741 3.516 -9.551 1.00 22.25 C ATOM 739 O LYS A 47 -5.360 3.999 -10.499 1.00 10.14 O ATOM 740 CB LYS A 47 -6.127 3.852 -7.484 1.00 73.44 C ATOM 741 CG LYS A 47 -7.195 3.266 -6.572 1.00 43.54 C ATOM 742 CD LYS A 47 -8.043 4.351 -5.923 1.00 31.43 C ATOM 743 CE LYS A 47 -9.237 3.748 -5.204 1.00 3.23 C ATOM 744 NZ LYS A 47 -10.181 4.784 -4.716 1.00 34.41 N ATOM 0 H LYS A 47 -4.337 2.244 -6.748 1.00 54.15 H new ATOM 0 HA LYS A 47 -6.276 2.206 -8.842 1.00 25.31 H new ATOM 0 HB2 LYS A 47 -5.351 4.313 -6.873 1.00 73.44 H new ATOM 0 HB3 LYS A 47 -6.570 4.644 -8.087 1.00 73.44 H new ATOM 0 HG2 LYS A 47 -7.837 2.598 -7.147 1.00 43.54 H new ATOM 0 HG3 LYS A 47 -6.721 2.664 -5.797 1.00 43.54 H new ATOM 0 HD2 LYS A 47 -7.437 4.918 -5.217 1.00 31.43 H new ATOM 0 HD3 LYS A 47 -8.387 5.052 -6.683 1.00 31.43 H new ATOM 0 HE2 LYS A 47 -9.761 3.071 -5.879 1.00 3.23 H new ATOM 0 HE3 LYS A 47 -8.888 3.151 -4.361 1.00 3.23 H new ATOM 0 HZ1 LYS A 47 -10.944 4.331 -4.174 1.00 34.41 H new ATOM 0 HZ2 LYS A 47 -9.674 5.456 -4.105 1.00 34.41 H new ATOM 0 HZ3 LYS A 47 -10.588 5.293 -5.527 1.00 34.41 H new ATOM 758 N LEU A 48 -3.419 3.581 -9.450 1.00 14.35 N ATOM 759 CA LEU A 48 -2.599 4.097 -10.542 1.00 73.01 C ATOM 760 C LEU A 48 -2.472 3.053 -11.643 1.00 24.43 C ATOM 761 O LEU A 48 -2.342 3.383 -12.824 1.00 52.15 O ATOM 762 CB LEU A 48 -1.204 4.486 -10.044 1.00 41.12 C ATOM 763 CG LEU A 48 -1.154 5.690 -9.109 1.00 13.13 C ATOM 764 CD1 LEU A 48 0.281 5.967 -8.687 1.00 32.44 C ATOM 765 CD2 LEU A 48 -1.759 6.911 -9.783 1.00 61.51 C ATOM 0 H LEU A 48 -2.893 3.285 -8.628 1.00 14.35 H new ATOM 0 HA LEU A 48 -3.089 4.986 -10.939 1.00 73.01 H new ATOM 0 HB2 LEU A 48 -0.769 3.629 -9.529 1.00 41.12 H new ATOM 0 HB3 LEU A 48 -0.573 4.692 -10.908 1.00 41.12 H new ATOM 0 HG LEU A 48 -1.740 5.466 -8.218 1.00 13.13 H new ATOM 0 HD11 LEU A 48 0.304 6.829 -8.020 1.00 32.44 H new ATOM 0 HD12 LEU A 48 0.683 5.096 -8.169 1.00 32.44 H new ATOM 0 HD13 LEU A 48 0.886 6.175 -9.569 1.00 32.44 H new ATOM 0 HD21 LEU A 48 -1.716 7.761 -9.102 1.00 61.51 H new ATOM 0 HD22 LEU A 48 -1.198 7.142 -10.689 1.00 61.51 H new ATOM 0 HD23 LEU A 48 -2.798 6.706 -10.042 1.00 61.51 H new ATOM 777 N GLY A 49 -2.515 1.791 -11.242 1.00 52.15 N ATOM 778 CA GLY A 49 -2.393 0.705 -12.187 1.00 74.31 C ATOM 779 C GLY A 49 -1.008 0.097 -12.180 1.00 55.03 C ATOM 780 O GLY A 49 -0.577 -0.489 -13.171 1.00 20.22 O ATOM 0 H GLY A 49 -2.633 1.500 -10.271 1.00 52.15 H new ATOM 0 HA2 GLY A 49 -3.127 -0.065 -11.951 1.00 74.31 H new ATOM 0 HA3 GLY A 49 -2.624 1.069 -13.188 1.00 74.31 H new ATOM 784 N ASP A 50 -0.298 0.245 -11.070 1.00 54.34 N ATOM 785 CA ASP A 50 1.026 -0.345 -10.943 1.00 50.20 C ATOM 786 C ASP A 50 0.986 -1.478 -9.936 1.00 51.42 C ATOM 787 O ASP A 50 0.934 -1.249 -8.726 1.00 61.25 O ATOM 788 CB ASP A 50 2.062 0.692 -10.515 1.00 44.44 C ATOM 789 CG ASP A 50 3.472 0.267 -10.878 1.00 22.31 C ATOM 790 OD1 ASP A 50 4.054 -0.589 -10.177 1.00 55.32 O ATOM 791 OD2 ASP A 50 4.000 0.785 -11.884 1.00 54.13 O ATOM 0 H ASP A 50 -0.614 0.764 -10.251 1.00 54.34 H new ATOM 0 HA ASP A 50 1.320 -0.729 -11.920 1.00 50.20 H new ATOM 0 HB2 ASP A 50 1.837 1.647 -10.990 1.00 44.44 H new ATOM 0 HB3 ASP A 50 1.996 0.848 -9.438 1.00 44.44 H new ATOM 796 N TRP A 51 1.001 -2.697 -10.439 1.00 60.01 N ATOM 797 CA TRP A 51 0.843 -3.864 -9.593 1.00 33.15 C ATOM 798 C TRP A 51 2.136 -4.179 -8.862 1.00 15.44 C ATOM 799 O TRP A 51 2.113 -4.677 -7.739 1.00 23.51 O ATOM 800 CB TRP A 51 0.396 -5.067 -10.422 1.00 3.14 C ATOM 801 CG TRP A 51 -0.874 -4.822 -11.172 1.00 72.11 C ATOM 802 CD1 TRP A 51 -1.002 -4.596 -12.511 1.00 40.13 C ATOM 803 CD2 TRP A 51 -2.196 -4.766 -10.625 1.00 12.11 C ATOM 804 NE1 TRP A 51 -2.324 -4.403 -12.832 1.00 65.53 N ATOM 805 CE2 TRP A 51 -3.078 -4.503 -11.691 1.00 12.14 C ATOM 806 CE3 TRP A 51 -2.721 -4.917 -9.339 1.00 22.55 C ATOM 807 CZ2 TRP A 51 -4.453 -4.386 -11.505 1.00 53.34 C ATOM 808 CZ3 TRP A 51 -4.085 -4.801 -9.156 1.00 42.33 C ATOM 809 CH2 TRP A 51 -4.939 -4.540 -10.235 1.00 64.42 C ATOM 0 H TRP A 51 1.121 -2.905 -11.430 1.00 60.01 H new ATOM 0 HA TRP A 51 0.075 -3.645 -8.851 1.00 33.15 H new ATOM 0 HB2 TRP A 51 1.184 -5.327 -11.129 1.00 3.14 H new ATOM 0 HB3 TRP A 51 0.263 -5.925 -9.764 1.00 3.14 H new ATOM 0 HD1 TRP A 51 -0.184 -4.572 -13.216 1.00 40.13 H new ATOM 0 HE1 TRP A 51 -2.686 -4.216 -13.767 1.00 65.53 H new ATOM 0 HE3 TRP A 51 -2.071 -5.121 -8.501 1.00 22.55 H new ATOM 0 HZ2 TRP A 51 -5.113 -4.181 -12.335 1.00 53.34 H new ATOM 0 HZ3 TRP A 51 -4.500 -4.913 -8.165 1.00 42.33 H new ATOM 0 HH2 TRP A 51 -6.002 -4.459 -10.061 1.00 64.42 H new ATOM 820 N GLN A 52 3.260 -3.863 -9.490 1.00 11.10 N ATOM 821 CA GLN A 52 4.559 -4.157 -8.905 1.00 22.34 C ATOM 822 C GLN A 52 4.801 -3.276 -7.685 1.00 24.42 C ATOM 823 O GLN A 52 5.202 -3.764 -6.626 1.00 24.32 O ATOM 824 CB GLN A 52 5.670 -3.964 -9.936 1.00 62.21 C ATOM 825 CG GLN A 52 6.987 -4.610 -9.532 1.00 24.44 C ATOM 826 CD GLN A 52 6.858 -6.108 -9.318 1.00 62.10 C ATOM 827 OE1 GLN A 52 6.601 -6.570 -8.207 1.00 72.32 O ATOM 828 NE2 GLN A 52 7.023 -6.876 -10.384 1.00 64.02 N ATOM 0 H GLN A 52 3.298 -3.405 -10.401 1.00 11.10 H new ATOM 0 HA GLN A 52 4.567 -5.200 -8.587 1.00 22.34 H new ATOM 0 HB2 GLN A 52 5.347 -4.381 -10.890 1.00 62.21 H new ATOM 0 HB3 GLN A 52 5.830 -2.897 -10.092 1.00 62.21 H new ATOM 0 HG2 GLN A 52 7.733 -4.419 -10.303 1.00 24.44 H new ATOM 0 HG3 GLN A 52 7.350 -4.145 -8.615 1.00 24.44 H new ATOM 0 HE21 GLN A 52 7.235 -6.455 -11.288 1.00 64.02 H new ATOM 0 HE22 GLN A 52 6.938 -7.889 -10.301 1.00 64.02 H new ATOM 837 N LYS A 53 4.538 -1.977 -7.825 1.00 51.10 N ATOM 838 CA LYS A 53 4.644 -1.058 -6.698 1.00 51.31 C ATOM 839 C LYS A 53 3.691 -1.466 -5.587 1.00 63.15 C ATOM 840 O LYS A 53 4.032 -1.388 -4.407 1.00 34.20 O ATOM 841 CB LYS A 53 4.356 0.384 -7.124 1.00 64.50 C ATOM 842 CG LYS A 53 5.522 1.068 -7.816 1.00 24.43 C ATOM 843 CD LYS A 53 6.721 1.192 -6.891 1.00 64.45 C ATOM 844 CE LYS A 53 7.891 1.880 -7.575 1.00 61.20 C ATOM 845 NZ LYS A 53 9.061 2.014 -6.667 1.00 34.41 N ATOM 0 H LYS A 53 4.252 -1.542 -8.702 1.00 51.10 H new ATOM 0 HA LYS A 53 5.668 -1.108 -6.329 1.00 51.31 H new ATOM 0 HB2 LYS A 53 3.496 0.389 -7.793 1.00 64.50 H new ATOM 0 HB3 LYS A 53 4.079 0.964 -6.244 1.00 64.50 H new ATOM 0 HG2 LYS A 53 5.803 0.502 -8.704 1.00 24.43 H new ATOM 0 HG3 LYS A 53 5.217 2.059 -8.153 1.00 24.43 H new ATOM 0 HD2 LYS A 53 6.438 1.755 -6.002 1.00 64.45 H new ATOM 0 HD3 LYS A 53 7.027 0.201 -6.557 1.00 64.45 H new ATOM 0 HE2 LYS A 53 8.180 1.312 -8.459 1.00 61.20 H new ATOM 0 HE3 LYS A 53 7.582 2.867 -7.918 1.00 61.20 H new ATOM 0 HZ1 LYS A 53 9.838 2.488 -7.170 1.00 34.41 H new ATOM 0 HZ2 LYS A 53 8.792 2.578 -5.835 1.00 34.41 H new ATOM 0 HZ3 LYS A 53 9.372 1.070 -6.360 1.00 34.41 H new ATOM 859 N ALA A 54 2.500 -1.909 -5.970 1.00 52.14 N ATOM 860 CA ALA A 54 1.523 -2.394 -5.008 1.00 44.42 C ATOM 861 C ALA A 54 2.072 -3.603 -4.259 1.00 5.24 C ATOM 862 O ALA A 54 2.100 -3.619 -3.027 1.00 2.40 O ATOM 863 CB ALA A 54 0.219 -2.746 -5.707 1.00 21.41 C ATOM 0 H ALA A 54 2.189 -1.942 -6.941 1.00 52.14 H new ATOM 0 HA ALA A 54 1.323 -1.602 -4.286 1.00 44.42 H new ATOM 0 HB1 ALA A 54 -0.501 -3.107 -4.973 1.00 21.41 H new ATOM 0 HB2 ALA A 54 -0.180 -1.860 -6.201 1.00 21.41 H new ATOM 0 HB3 ALA A 54 0.402 -3.523 -6.449 1.00 21.41 H new ATOM 869 N LEU A 55 2.541 -4.592 -5.016 1.00 20.31 N ATOM 870 CA LEU A 55 3.100 -5.814 -4.448 1.00 12.44 C ATOM 871 C LEU A 55 4.247 -5.512 -3.496 1.00 43.04 C ATOM 872 O LEU A 55 4.339 -6.107 -2.421 1.00 22.50 O ATOM 873 CB LEU A 55 3.606 -6.738 -5.556 1.00 61.00 C ATOM 874 CG LEU A 55 2.530 -7.338 -6.454 1.00 34.42 C ATOM 875 CD1 LEU A 55 3.169 -8.111 -7.592 1.00 40.15 C ATOM 876 CD2 LEU A 55 1.606 -8.239 -5.652 1.00 72.41 C ATOM 0 H LEU A 55 2.544 -4.569 -6.036 1.00 20.31 H new ATOM 0 HA LEU A 55 2.301 -6.305 -3.893 1.00 12.44 H new ATOM 0 HB2 LEU A 55 4.305 -6.180 -6.179 1.00 61.00 H new ATOM 0 HB3 LEU A 55 4.167 -7.552 -5.098 1.00 61.00 H new ATOM 0 HG LEU A 55 1.936 -6.526 -6.874 1.00 34.42 H new ATOM 0 HD11 LEU A 55 2.390 -8.535 -8.226 1.00 40.15 H new ATOM 0 HD12 LEU A 55 3.793 -7.440 -8.182 1.00 40.15 H new ATOM 0 HD13 LEU A 55 3.784 -8.915 -7.186 1.00 40.15 H new ATOM 0 HD21 LEU A 55 0.845 -8.658 -6.310 1.00 72.41 H new ATOM 0 HD22 LEU A 55 2.184 -9.048 -5.205 1.00 72.41 H new ATOM 0 HD23 LEU A 55 1.125 -7.659 -4.865 1.00 72.41 H new ATOM 888 N ASN A 56 5.118 -4.597 -3.902 1.00 23.13 N ATOM 889 CA ASN A 56 6.294 -4.253 -3.113 1.00 70.10 C ATOM 890 C ASN A 56 5.914 -3.498 -1.846 1.00 72.54 C ATOM 891 O ASN A 56 6.453 -3.770 -0.773 1.00 65.12 O ATOM 892 CB ASN A 56 7.285 -3.428 -3.943 1.00 25.25 C ATOM 893 CG ASN A 56 7.919 -4.240 -5.057 1.00 64.53 C ATOM 894 OD1 ASN A 56 8.064 -5.457 -4.946 1.00 32.41 O ATOM 895 ND2 ASN A 56 8.310 -3.573 -6.133 1.00 42.32 N ATOM 0 H ASN A 56 5.032 -4.078 -4.776 1.00 23.13 H new ATOM 0 HA ASN A 56 6.774 -5.187 -2.820 1.00 70.10 H new ATOM 0 HB2 ASN A 56 6.770 -2.568 -4.371 1.00 25.25 H new ATOM 0 HB3 ASN A 56 8.066 -3.039 -3.290 1.00 25.25 H new ATOM 0 HD21 ASN A 56 8.749 -4.069 -6.909 1.00 42.32 H new ATOM 0 HD22 ASN A 56 8.172 -2.564 -6.186 1.00 42.32 H new ATOM 902 N ASN A 57 4.977 -2.565 -1.959 1.00 42.11 N ATOM 903 CA ASN A 57 4.542 -1.791 -0.797 1.00 44.44 C ATOM 904 C ASN A 57 3.768 -2.663 0.181 1.00 51.04 C ATOM 905 O ASN A 57 3.964 -2.568 1.392 1.00 72.53 O ATOM 906 CB ASN A 57 3.712 -0.577 -1.217 1.00 53.41 C ATOM 907 CG ASN A 57 4.583 0.603 -1.610 1.00 64.52 C ATOM 908 OD1 ASN A 57 4.935 1.434 -0.774 1.00 20.13 O ATOM 909 ND2 ASN A 57 4.940 0.690 -2.883 1.00 4.31 N ATOM 0 H ASN A 57 4.507 -2.326 -2.832 1.00 42.11 H new ATOM 0 HA ASN A 57 5.436 -1.425 -0.291 1.00 44.44 H new ATOM 0 HB2 ASN A 57 3.071 -0.849 -2.056 1.00 53.41 H new ATOM 0 HB3 ASN A 57 3.056 -0.285 -0.397 1.00 53.41 H new ATOM 0 HD21 ASN A 57 5.525 1.464 -3.197 1.00 4.31 H new ATOM 0 HD22 ASN A 57 4.630 -0.017 -3.549 1.00 4.31 H new ATOM 916 N TYR A 58 2.907 -3.531 -0.340 1.00 3.42 N ATOM 917 CA TYR A 58 2.214 -4.494 0.508 1.00 72.14 C ATOM 918 C TYR A 58 3.228 -5.400 1.196 1.00 63.22 C ATOM 919 O TYR A 58 3.114 -5.687 2.385 1.00 25.14 O ATOM 920 CB TYR A 58 1.227 -5.346 -0.293 1.00 21.44 C ATOM 921 CG TYR A 58 -0.024 -4.618 -0.733 1.00 74.11 C ATOM 922 CD1 TYR A 58 -0.725 -3.802 0.148 1.00 24.53 C ATOM 923 CD2 TYR A 58 -0.519 -4.764 -2.023 1.00 62.33 C ATOM 924 CE1 TYR A 58 -1.876 -3.151 -0.248 1.00 14.00 C ATOM 925 CE2 TYR A 58 -1.669 -4.112 -2.426 1.00 44.35 C ATOM 926 CZ TYR A 58 -2.344 -3.309 -1.534 1.00 70.32 C ATOM 927 OH TYR A 58 -3.491 -2.659 -1.929 1.00 13.31 O ATOM 0 H TYR A 58 2.675 -3.588 -1.332 1.00 3.42 H new ATOM 0 HA TYR A 58 1.649 -3.934 1.253 1.00 72.14 H new ATOM 0 HB2 TYR A 58 1.735 -5.733 -1.176 1.00 21.44 H new ATOM 0 HB3 TYR A 58 0.937 -6.206 0.311 1.00 21.44 H new ATOM 0 HD1 TYR A 58 -0.363 -3.676 1.158 1.00 24.53 H new ATOM 0 HD2 TYR A 58 0.004 -5.398 -2.723 1.00 62.33 H new ATOM 0 HE1 TYR A 58 -2.408 -2.520 0.448 1.00 14.00 H new ATOM 0 HE2 TYR A 58 -2.036 -4.232 -3.435 1.00 44.35 H new ATOM 0 HH TYR A 58 -3.684 -2.875 -2.865 1.00 13.31 H new ATOM 937 N GLN A 59 4.233 -5.829 0.437 1.00 74.15 N ATOM 938 CA GLN A 59 5.292 -6.679 0.965 1.00 63.14 C ATOM 939 C GLN A 59 6.055 -5.955 2.071 1.00 53.43 C ATOM 940 O GLN A 59 6.435 -6.561 3.069 1.00 63.44 O ATOM 941 CB GLN A 59 6.247 -7.086 -0.162 1.00 23.33 C ATOM 942 CG GLN A 59 7.382 -7.999 0.277 1.00 41.30 C ATOM 943 CD GLN A 59 6.891 -9.307 0.867 1.00 4.31 C ATOM 944 OE1 GLN A 59 6.667 -10.279 0.148 1.00 61.11 O ATOM 945 NE2 GLN A 59 6.731 -9.337 2.181 1.00 60.41 N ATOM 0 H GLN A 59 4.335 -5.599 -0.552 1.00 74.15 H new ATOM 0 HA GLN A 59 4.843 -7.577 1.388 1.00 63.14 H new ATOM 0 HB2 GLN A 59 5.675 -7.587 -0.943 1.00 23.33 H new ATOM 0 HB3 GLN A 59 6.672 -6.185 -0.605 1.00 23.33 H new ATOM 0 HG2 GLN A 59 8.024 -8.210 -0.578 1.00 41.30 H new ATOM 0 HG3 GLN A 59 7.994 -7.480 1.015 1.00 41.30 H new ATOM 0 HE21 GLN A 59 6.929 -8.506 2.738 1.00 60.41 H new ATOM 0 HE22 GLN A 59 6.410 -10.191 2.636 1.00 60.41 H new ATOM 954 N SER A 60 6.255 -4.654 1.892 1.00 75.02 N ATOM 955 CA SER A 60 6.961 -3.838 2.872 1.00 10.21 C ATOM 956 C SER A 60 6.227 -3.836 4.211 1.00 73.24 C ATOM 957 O SER A 60 6.856 -3.828 5.268 1.00 45.12 O ATOM 958 CB SER A 60 7.118 -2.409 2.352 1.00 64.45 C ATOM 959 OG SER A 60 7.810 -2.392 1.112 1.00 1.31 O ATOM 0 H SER A 60 5.936 -4.139 1.071 1.00 75.02 H new ATOM 0 HA SER A 60 7.950 -4.269 3.027 1.00 10.21 H new ATOM 0 HB2 SER A 60 6.136 -1.952 2.231 1.00 64.45 H new ATOM 0 HB3 SER A 60 7.660 -1.810 3.083 1.00 64.45 H new ATOM 0 HG SER A 60 7.238 -2.772 0.413 1.00 1.31 H new ATOM 965 N ALA A 61 4.899 -3.847 4.158 1.00 61.14 N ATOM 966 CA ALA A 61 4.093 -3.936 5.367 1.00 53.32 C ATOM 967 C ALA A 61 4.218 -5.325 5.990 1.00 51.42 C ATOM 968 O ALA A 61 4.398 -5.460 7.197 1.00 74.20 O ATOM 969 CB ALA A 61 2.636 -3.619 5.065 1.00 53.02 C ATOM 0 H ALA A 61 4.361 -3.796 3.293 1.00 61.14 H new ATOM 0 HA ALA A 61 4.463 -3.200 6.081 1.00 53.32 H new ATOM 0 HB1 ALA A 61 2.050 -3.691 5.982 1.00 53.02 H new ATOM 0 HB2 ALA A 61 2.559 -2.608 4.664 1.00 53.02 H new ATOM 0 HB3 ALA A 61 2.253 -4.330 4.333 1.00 53.02 H new ATOM 975 N ILE A 62 4.148 -6.351 5.148 1.00 10.00 N ATOM 976 CA ILE A 62 4.234 -7.735 5.608 1.00 11.35 C ATOM 977 C ILE A 62 5.599 -8.020 6.244 1.00 63.34 C ATOM 978 O ILE A 62 5.714 -8.852 7.142 1.00 51.23 O ATOM 979 CB ILE A 62 3.979 -8.734 4.454 1.00 64.20 C ATOM 980 CG1 ILE A 62 2.652 -8.414 3.760 1.00 61.33 C ATOM 981 CG2 ILE A 62 3.967 -10.163 4.981 1.00 33.45 C ATOM 982 CD1 ILE A 62 2.340 -9.322 2.588 1.00 10.42 C ATOM 0 H ILE A 62 4.032 -6.251 4.140 1.00 10.00 H new ATOM 0 HA ILE A 62 3.457 -7.870 6.360 1.00 11.35 H new ATOM 0 HB ILE A 62 4.786 -8.639 3.728 1.00 64.20 H new ATOM 0 HG12 ILE A 62 1.845 -8.487 4.489 1.00 61.33 H new ATOM 0 HG13 ILE A 62 2.675 -7.381 3.412 1.00 61.33 H new ATOM 0 HG21 ILE A 62 3.786 -10.853 4.157 1.00 33.45 H new ATOM 0 HG22 ILE A 62 4.929 -10.390 5.440 1.00 33.45 H new ATOM 0 HG23 ILE A 62 3.177 -10.270 5.724 1.00 33.45 H new ATOM 0 HD11 ILE A 62 1.385 -9.034 2.148 1.00 10.42 H new ATOM 0 HD12 ILE A 62 3.126 -9.232 1.839 1.00 10.42 H new ATOM 0 HD13 ILE A 62 2.284 -10.355 2.933 1.00 10.42 H new ATOM 994 N GLU A 63 6.629 -7.320 5.779 1.00 71.51 N ATOM 995 CA GLU A 63 7.963 -7.446 6.358 1.00 23.31 C ATOM 996 C GLU A 63 7.964 -6.974 7.808 1.00 23.41 C ATOM 997 O GLU A 63 8.677 -7.521 8.650 1.00 44.44 O ATOM 998 CB GLU A 63 8.980 -6.638 5.548 1.00 20.45 C ATOM 999 CG GLU A 63 9.221 -7.171 4.146 1.00 23.12 C ATOM 1000 CD GLU A 63 9.835 -8.555 4.138 1.00 3.42 C ATOM 1001 OE1 GLU A 63 9.110 -9.538 4.389 1.00 65.41 O ATOM 1002 OE2 GLU A 63 11.050 -8.671 3.874 1.00 74.25 O ATOM 0 H GLU A 63 6.566 -6.660 5.004 1.00 71.51 H new ATOM 0 HA GLU A 63 8.246 -8.498 6.329 1.00 23.31 H new ATOM 0 HB2 GLU A 63 8.636 -5.606 5.479 1.00 20.45 H new ATOM 0 HB3 GLU A 63 9.927 -6.622 6.087 1.00 20.45 H new ATOM 0 HG2 GLU A 63 8.275 -7.196 3.605 1.00 23.12 H new ATOM 0 HG3 GLU A 63 9.877 -6.485 3.610 1.00 23.12 H new ATOM 1009 N LEU A 64 7.157 -5.961 8.092 1.00 44.14 N ATOM 1010 CA LEU A 64 7.065 -5.404 9.435 1.00 11.05 C ATOM 1011 C LEU A 64 6.233 -6.320 10.326 1.00 22.51 C ATOM 1012 O LEU A 64 6.615 -6.624 11.461 1.00 45.21 O ATOM 1013 CB LEU A 64 6.438 -4.009 9.383 1.00 21.43 C ATOM 1014 CG LEU A 64 7.165 -3.008 8.483 1.00 62.33 C ATOM 1015 CD1 LEU A 64 6.390 -1.703 8.398 1.00 10.20 C ATOM 1016 CD2 LEU A 64 8.575 -2.758 8.994 1.00 51.01 C ATOM 0 H LEU A 64 6.554 -5.506 7.407 1.00 44.14 H new ATOM 0 HA LEU A 64 8.069 -5.324 9.853 1.00 11.05 H new ATOM 0 HB2 LEU A 64 5.408 -4.102 9.039 1.00 21.43 H new ATOM 0 HB3 LEU A 64 6.401 -3.605 10.395 1.00 21.43 H new ATOM 0 HG LEU A 64 7.231 -3.433 7.481 1.00 62.33 H new ATOM 0 HD11 LEU A 64 6.923 -1.004 7.753 1.00 10.20 H new ATOM 0 HD12 LEU A 64 5.400 -1.894 7.985 1.00 10.20 H new ATOM 0 HD13 LEU A 64 6.290 -1.273 9.395 1.00 10.20 H new ATOM 0 HD21 LEU A 64 9.077 -2.044 8.342 1.00 51.01 H new ATOM 0 HD22 LEU A 64 8.529 -2.355 10.006 1.00 51.01 H new ATOM 0 HD23 LEU A 64 9.131 -3.696 9.001 1.00 51.01 H new ATOM 1028 N ASN A 65 5.096 -6.755 9.806 1.00 74.13 N ATOM 1029 CA ASN A 65 4.226 -7.676 10.521 1.00 41.43 C ATOM 1030 C ASN A 65 3.553 -8.646 9.551 1.00 51.41 C ATOM 1031 O ASN A 65 2.743 -8.254 8.711 1.00 32.25 O ATOM 1032 CB ASN A 65 3.181 -6.917 11.360 1.00 32.41 C ATOM 1033 CG ASN A 65 2.333 -5.940 10.562 1.00 3.13 C ATOM 1034 OD1 ASN A 65 2.766 -5.393 9.556 1.00 60.03 O ATOM 1035 ND2 ASN A 65 1.114 -5.707 11.020 1.00 73.25 N ATOM 0 H ASN A 65 4.752 -6.483 8.885 1.00 74.13 H new ATOM 0 HA ASN A 65 4.842 -8.256 11.208 1.00 41.43 H new ATOM 0 HB2 ASN A 65 2.524 -7.640 11.843 1.00 32.41 H new ATOM 0 HB3 ASN A 65 3.694 -6.372 12.153 1.00 32.41 H new ATOM 0 HD21 ASN A 65 0.502 -5.053 10.531 1.00 73.25 H new ATOM 0 HD22 ASN A 65 0.786 -6.181 11.862 1.00 73.25 H new ATOM 1042 N PRO A 66 3.891 -9.940 9.661 1.00 21.32 N ATOM 1043 CA PRO A 66 3.378 -10.986 8.770 1.00 15.25 C ATOM 1044 C PRO A 66 1.904 -11.302 9.015 1.00 40.21 C ATOM 1045 O PRO A 66 1.376 -12.276 8.481 1.00 32.33 O ATOM 1046 CB PRO A 66 4.245 -12.212 9.100 1.00 25.10 C ATOM 1047 CG PRO A 66 5.360 -11.700 9.953 1.00 44.14 C ATOM 1048 CD PRO A 66 4.819 -10.491 10.654 1.00 15.30 C ATOM 0 HA PRO A 66 3.433 -10.677 7.726 1.00 15.25 H new ATOM 0 HB2 PRO A 66 3.666 -12.971 9.626 1.00 25.10 H new ATOM 0 HB3 PRO A 66 4.628 -12.677 8.192 1.00 25.10 H new ATOM 0 HG2 PRO A 66 5.682 -12.455 10.670 1.00 44.14 H new ATOM 0 HG3 PRO A 66 6.229 -11.444 9.347 1.00 44.14 H new ATOM 0 HD2 PRO A 66 4.312 -10.753 11.583 1.00 15.30 H new ATOM 0 HD3 PRO A 66 5.607 -9.783 10.910 1.00 15.30 H new ATOM 1056 N ASP A 67 1.250 -10.482 9.823 1.00 35.44 N ATOM 1057 CA ASP A 67 -0.170 -10.645 10.095 1.00 52.12 C ATOM 1058 C ASP A 67 -0.902 -9.350 9.753 1.00 70.03 C ATOM 1059 O ASP A 67 -2.024 -9.103 10.195 1.00 2.15 O ATOM 1060 CB ASP A 67 -0.388 -11.024 11.563 1.00 14.42 C ATOM 1061 CG ASP A 67 -1.771 -11.585 11.823 1.00 40.42 C ATOM 1062 OD1 ASP A 67 -2.085 -12.670 11.285 1.00 44.42 O ATOM 1063 OD2 ASP A 67 -2.538 -10.959 12.579 1.00 52.31 O ATOM 0 H ASP A 67 1.682 -9.693 10.304 1.00 35.44 H new ATOM 0 HA ASP A 67 -0.569 -11.449 9.477 1.00 52.12 H new ATOM 0 HB2 ASP A 67 0.360 -11.760 11.859 1.00 14.42 H new ATOM 0 HB3 ASP A 67 -0.234 -10.144 12.188 1.00 14.42 H new ATOM 1068 N SER A 68 -0.241 -8.531 8.948 1.00 62.31 N ATOM 1069 CA SER A 68 -0.789 -7.258 8.496 1.00 23.42 C ATOM 1070 C SER A 68 -2.016 -7.470 7.606 1.00 5.14 C ATOM 1071 O SER A 68 -2.128 -8.487 6.921 1.00 54.31 O ATOM 1072 CB SER A 68 0.290 -6.495 7.718 1.00 44.20 C ATOM 1073 OG SER A 68 -0.206 -5.278 7.191 1.00 10.14 O ATOM 0 H SER A 68 0.693 -8.730 8.588 1.00 62.31 H new ATOM 0 HA SER A 68 -1.100 -6.682 9.368 1.00 23.42 H new ATOM 0 HB2 SER A 68 1.135 -6.289 8.375 1.00 44.20 H new ATOM 0 HB3 SER A 68 0.662 -7.119 6.905 1.00 44.20 H new ATOM 0 HG SER A 68 0.374 -4.978 6.460 1.00 10.14 H new ATOM 1079 N PRO A 69 -2.959 -6.508 7.601 1.00 21.04 N ATOM 1080 CA PRO A 69 -4.100 -6.526 6.681 1.00 3.02 C ATOM 1081 C PRO A 69 -3.646 -6.464 5.223 1.00 41.20 C ATOM 1082 O PRO A 69 -4.425 -6.721 4.303 1.00 55.00 O ATOM 1083 CB PRO A 69 -4.894 -5.265 7.050 1.00 44.43 C ATOM 1084 CG PRO A 69 -3.930 -4.403 7.789 1.00 52.13 C ATOM 1085 CD PRO A 69 -3.001 -5.342 8.500 1.00 45.12 C ATOM 0 HA PRO A 69 -4.685 -7.442 6.771 1.00 3.02 H new ATOM 0 HB2 PRO A 69 -5.271 -4.762 6.160 1.00 44.43 H new ATOM 0 HB3 PRO A 69 -5.758 -5.510 7.668 1.00 44.43 H new ATOM 0 HG2 PRO A 69 -3.382 -3.755 7.105 1.00 52.13 H new ATOM 0 HG3 PRO A 69 -4.448 -3.755 8.497 1.00 52.13 H new ATOM 0 HD2 PRO A 69 -2.013 -4.904 8.640 1.00 45.12 H new ATOM 0 HD3 PRO A 69 -3.374 -5.608 9.489 1.00 45.12 H new ATOM 1093 N ALA A 70 -2.372 -6.129 5.022 1.00 52.32 N ATOM 1094 CA ALA A 70 -1.790 -6.059 3.689 1.00 54.20 C ATOM 1095 C ALA A 70 -1.725 -7.438 3.039 1.00 5.54 C ATOM 1096 O ALA A 70 -1.606 -7.548 1.821 1.00 1.30 O ATOM 1097 CB ALA A 70 -0.404 -5.436 3.751 1.00 54.14 C ATOM 0 H ALA A 70 -1.722 -5.901 5.774 1.00 52.32 H new ATOM 0 HA ALA A 70 -2.433 -5.430 3.074 1.00 54.20 H new ATOM 0 HB1 ALA A 70 0.019 -5.390 2.748 1.00 54.14 H new ATOM 0 HB2 ALA A 70 -0.476 -4.429 4.161 1.00 54.14 H new ATOM 0 HB3 ALA A 70 0.239 -6.042 4.389 1.00 54.14 H new ATOM 1103 N LEU A 71 -1.817 -8.483 3.856 1.00 10.14 N ATOM 1104 CA LEU A 71 -1.795 -9.856 3.358 1.00 35.11 C ATOM 1105 C LEU A 71 -2.953 -10.113 2.409 1.00 22.42 C ATOM 1106 O LEU A 71 -2.765 -10.616 1.299 1.00 24.10 O ATOM 1107 CB LEU A 71 -1.878 -10.857 4.508 1.00 24.22 C ATOM 1108 CG LEU A 71 -0.544 -11.291 5.122 1.00 31.33 C ATOM 1109 CD1 LEU A 71 0.177 -10.122 5.770 1.00 33.41 C ATOM 1110 CD2 LEU A 71 -0.774 -12.404 6.133 1.00 63.12 C ATOM 0 H LEU A 71 -1.908 -8.405 4.869 1.00 10.14 H new ATOM 0 HA LEU A 71 -0.853 -9.987 2.826 1.00 35.11 H new ATOM 0 HB2 LEU A 71 -2.493 -10.423 5.296 1.00 24.22 H new ATOM 0 HB3 LEU A 71 -2.397 -11.747 4.151 1.00 24.22 H new ATOM 0 HG LEU A 71 0.092 -11.665 4.320 1.00 31.33 H new ATOM 0 HD11 LEU A 71 1.120 -10.466 6.195 1.00 33.41 H new ATOM 0 HD12 LEU A 71 0.376 -9.356 5.020 1.00 33.41 H new ATOM 0 HD13 LEU A 71 -0.446 -9.703 6.560 1.00 33.41 H new ATOM 0 HD21 LEU A 71 0.180 -12.706 6.565 1.00 63.12 H new ATOM 0 HD22 LEU A 71 -1.433 -12.046 6.924 1.00 63.12 H new ATOM 0 HD23 LEU A 71 -1.234 -13.258 5.636 1.00 63.12 H new ATOM 1122 N GLN A 72 -4.149 -9.753 2.857 1.00 14.15 N ATOM 1123 CA GLN A 72 -5.364 -9.998 2.098 1.00 22.01 C ATOM 1124 C GLN A 72 -5.289 -9.301 0.747 1.00 1.41 C ATOM 1125 O GLN A 72 -5.682 -9.857 -0.281 1.00 13.02 O ATOM 1126 CB GLN A 72 -6.598 -9.515 2.872 1.00 23.03 C ATOM 1127 CG GLN A 72 -6.813 -10.201 4.220 1.00 24.15 C ATOM 1128 CD GLN A 72 -5.984 -9.606 5.346 1.00 31.33 C ATOM 1129 OE1 GLN A 72 -6.398 -8.645 5.993 1.00 10.12 O ATOM 1130 NE2 GLN A 72 -4.831 -10.194 5.621 1.00 52.35 N ATOM 0 H GLN A 72 -4.302 -9.286 3.751 1.00 14.15 H new ATOM 0 HA GLN A 72 -5.457 -11.072 1.939 1.00 22.01 H new ATOM 0 HB2 GLN A 72 -6.510 -8.441 3.036 1.00 23.03 H new ATOM 0 HB3 GLN A 72 -7.482 -9.672 2.254 1.00 23.03 H new ATOM 0 HG2 GLN A 72 -7.868 -10.139 4.485 1.00 24.15 H new ATOM 0 HG3 GLN A 72 -6.571 -11.259 4.122 1.00 24.15 H new ATOM 0 HE21 GLN A 72 -4.518 -10.989 5.064 1.00 52.35 H new ATOM 0 HE22 GLN A 72 -4.255 -9.852 6.390 1.00 52.35 H new ATOM 1139 N ALA A 73 -4.748 -8.091 0.758 1.00 34.40 N ATOM 1140 CA ALA A 73 -4.595 -7.311 -0.457 1.00 13.01 C ATOM 1141 C ALA A 73 -3.490 -7.887 -1.336 1.00 51.12 C ATOM 1142 O ALA A 73 -3.647 -7.996 -2.549 1.00 31.20 O ATOM 1143 CB ALA A 73 -4.308 -5.860 -0.114 1.00 33.23 C ATOM 0 H ALA A 73 -4.407 -7.628 1.601 1.00 34.40 H new ATOM 0 HA ALA A 73 -5.528 -7.358 -1.018 1.00 13.01 H new ATOM 0 HB1 ALA A 73 -4.195 -5.284 -1.033 1.00 33.23 H new ATOM 0 HB2 ALA A 73 -5.134 -5.454 0.469 1.00 33.23 H new ATOM 0 HB3 ALA A 73 -3.388 -5.799 0.468 1.00 33.23 H new ATOM 1149 N ARG A 74 -2.382 -8.273 -0.715 1.00 52.23 N ATOM 1150 CA ARG A 74 -1.252 -8.848 -1.437 1.00 63.32 C ATOM 1151 C ARG A 74 -1.679 -10.101 -2.189 1.00 5.00 C ATOM 1152 O ARG A 74 -1.368 -10.260 -3.369 1.00 72.41 O ATOM 1153 CB ARG A 74 -0.120 -9.185 -0.465 1.00 44.01 C ATOM 1154 CG ARG A 74 1.249 -8.684 -0.905 1.00 42.11 C ATOM 1155 CD ARG A 74 1.849 -9.516 -2.025 1.00 21.31 C ATOM 1156 NE ARG A 74 3.179 -9.027 -2.402 1.00 32.13 N ATOM 1157 CZ ARG A 74 4.152 -9.797 -2.894 1.00 4.22 C ATOM 1158 NH1 ARG A 74 3.941 -11.092 -3.102 1.00 20.13 N ATOM 1159 NH2 ARG A 74 5.334 -9.265 -3.189 1.00 32.13 N ATOM 0 H ARG A 74 -2.241 -8.198 0.292 1.00 52.23 H new ATOM 0 HA ARG A 74 -0.895 -8.112 -2.158 1.00 63.32 H new ATOM 0 HB2 ARG A 74 -0.354 -8.759 0.510 1.00 44.01 H new ATOM 0 HB3 ARG A 74 -0.075 -10.267 -0.338 1.00 44.01 H new ATOM 0 HG2 ARG A 74 1.163 -7.648 -1.234 1.00 42.11 H new ATOM 0 HG3 ARG A 74 1.925 -8.692 -0.050 1.00 42.11 H new ATOM 0 HD2 ARG A 74 1.918 -10.557 -1.710 1.00 21.31 H new ATOM 0 HD3 ARG A 74 1.190 -9.489 -2.893 1.00 21.31 H new ATOM 0 HE ARG A 74 3.373 -8.033 -2.280 1.00 32.13 H new ATOM 0 HH11 ARG A 74 3.032 -11.502 -2.886 1.00 20.13 H new ATOM 0 HH12 ARG A 74 4.688 -11.676 -3.478 1.00 20.13 H new ATOM 0 HH21 ARG A 74 5.497 -8.269 -3.039 1.00 32.13 H new ATOM 0 HH22 ARG A 74 6.078 -9.853 -3.565 1.00 32.13 H new ATOM 1173 N LYS A 75 -2.404 -10.980 -1.504 1.00 52.53 N ATOM 1174 CA LYS A 75 -2.855 -12.230 -2.102 1.00 70.14 C ATOM 1175 C LYS A 75 -3.845 -11.970 -3.234 1.00 71.20 C ATOM 1176 O LYS A 75 -3.839 -12.672 -4.247 1.00 72.30 O ATOM 1177 CB LYS A 75 -3.500 -13.136 -1.049 1.00 44.21 C ATOM 1178 CG LYS A 75 -2.529 -13.639 0.011 1.00 11.13 C ATOM 1179 CD LYS A 75 -3.219 -14.567 1.000 1.00 44.24 C ATOM 1180 CE LYS A 75 -4.341 -13.858 1.741 1.00 22.43 C ATOM 1181 NZ LYS A 75 -5.071 -14.776 2.652 1.00 70.04 N ATOM 0 H LYS A 75 -2.691 -10.849 -0.534 1.00 52.53 H new ATOM 0 HA LYS A 75 -1.979 -12.733 -2.512 1.00 70.14 H new ATOM 0 HB2 LYS A 75 -4.306 -12.590 -0.559 1.00 44.21 H new ATOM 0 HB3 LYS A 75 -3.952 -13.992 -1.549 1.00 44.21 H new ATOM 0 HG2 LYS A 75 -1.704 -14.165 -0.469 1.00 11.13 H new ATOM 0 HG3 LYS A 75 -2.099 -12.791 0.544 1.00 11.13 H new ATOM 0 HD2 LYS A 75 -3.621 -15.431 0.470 1.00 44.24 H new ATOM 0 HD3 LYS A 75 -2.489 -14.944 1.717 1.00 44.24 H new ATOM 0 HE2 LYS A 75 -3.929 -13.028 2.316 1.00 22.43 H new ATOM 0 HE3 LYS A 75 -5.039 -13.431 1.021 1.00 22.43 H new ATOM 0 HZ1 LYS A 75 -5.828 -14.254 3.138 1.00 70.04 H new ATOM 0 HZ2 LYS A 75 -5.486 -15.554 2.101 1.00 70.04 H new ATOM 0 HZ3 LYS A 75 -4.411 -15.164 3.356 1.00 70.04 H new ATOM 1195 N MET A 76 -4.688 -10.956 -3.067 1.00 54.42 N ATOM 1196 CA MET A 76 -5.694 -10.645 -4.072 1.00 23.32 C ATOM 1197 C MET A 76 -5.022 -10.101 -5.336 1.00 32.30 C ATOM 1198 O MET A 76 -5.420 -10.439 -6.450 1.00 12.31 O ATOM 1199 CB MET A 76 -6.746 -9.670 -3.502 1.00 64.32 C ATOM 1200 CG MET A 76 -6.508 -8.202 -3.816 1.00 22.02 C ATOM 1201 SD MET A 76 -7.138 -7.737 -5.441 1.00 53.41 S ATOM 1202 CE MET A 76 -6.407 -6.121 -5.632 1.00 52.20 C ATOM 0 H MET A 76 -4.694 -10.342 -2.253 1.00 54.42 H new ATOM 0 HA MET A 76 -6.223 -11.557 -4.348 1.00 23.32 H new ATOM 0 HB2 MET A 76 -7.726 -9.953 -3.887 1.00 64.32 H new ATOM 0 HB3 MET A 76 -6.782 -9.792 -2.419 1.00 64.32 H new ATOM 0 HG2 MET A 76 -6.987 -7.588 -3.054 1.00 22.02 H new ATOM 0 HG3 MET A 76 -5.440 -7.992 -3.769 1.00 22.02 H new ATOM 0 HE1 MET A 76 -7.194 -5.369 -5.678 1.00 52.20 H new ATOM 0 HE2 MET A 76 -5.756 -5.913 -4.783 1.00 52.20 H new ATOM 0 HE3 MET A 76 -5.823 -6.092 -6.552 1.00 52.20 H new ATOM 1212 N VAL A 77 -3.977 -9.290 -5.160 1.00 45.10 N ATOM 1213 CA VAL A 77 -3.220 -8.769 -6.294 1.00 64.44 C ATOM 1214 C VAL A 77 -2.484 -9.904 -6.999 1.00 4.24 C ATOM 1215 O VAL A 77 -2.442 -9.961 -8.231 1.00 41.13 O ATOM 1216 CB VAL A 77 -2.207 -7.682 -5.864 1.00 51.01 C ATOM 1217 CG1 VAL A 77 -1.416 -7.171 -7.060 1.00 71.00 C ATOM 1218 CG2 VAL A 77 -2.915 -6.529 -5.175 1.00 74.43 C ATOM 0 H VAL A 77 -3.639 -8.983 -4.248 1.00 45.10 H new ATOM 0 HA VAL A 77 -3.934 -8.310 -6.978 1.00 64.44 H new ATOM 0 HB VAL A 77 -1.511 -8.136 -5.158 1.00 51.01 H new ATOM 0 HG11 VAL A 77 -0.711 -6.408 -6.731 1.00 71.00 H new ATOM 0 HG12 VAL A 77 -0.870 -7.997 -7.515 1.00 71.00 H new ATOM 0 HG13 VAL A 77 -2.100 -6.741 -7.792 1.00 71.00 H new ATOM 0 HG21 VAL A 77 -2.183 -5.776 -4.881 1.00 74.43 H new ATOM 0 HG22 VAL A 77 -3.638 -6.085 -5.859 1.00 74.43 H new ATOM 0 HG23 VAL A 77 -3.433 -6.897 -4.289 1.00 74.43 H new ATOM 1228 N MET A 78 -1.915 -10.814 -6.207 1.00 24.13 N ATOM 1229 CA MET A 78 -1.249 -11.992 -6.755 1.00 31.31 C ATOM 1230 C MET A 78 -2.199 -12.791 -7.634 1.00 61.44 C ATOM 1231 O MET A 78 -1.831 -13.206 -8.729 1.00 51.40 O ATOM 1232 CB MET A 78 -0.713 -12.900 -5.642 1.00 21.25 C ATOM 1233 CG MET A 78 0.380 -12.275 -4.789 1.00 42.22 C ATOM 1234 SD MET A 78 2.038 -12.481 -5.478 1.00 33.30 S ATOM 1235 CE MET A 78 1.874 -11.657 -7.058 1.00 60.03 C ATOM 0 H MET A 78 -1.903 -10.757 -5.189 1.00 24.13 H new ATOM 0 HA MET A 78 -0.411 -11.636 -7.355 1.00 31.31 H new ATOM 0 HB2 MET A 78 -1.541 -13.188 -4.995 1.00 21.25 H new ATOM 0 HB3 MET A 78 -0.327 -13.815 -6.091 1.00 21.25 H new ATOM 0 HG2 MET A 78 0.174 -11.211 -4.671 1.00 42.22 H new ATOM 0 HG3 MET A 78 0.351 -12.718 -3.794 1.00 42.22 H new ATOM 0 HE1 MET A 78 2.857 -11.342 -7.408 1.00 60.03 H new ATOM 0 HE2 MET A 78 1.434 -12.343 -7.782 1.00 60.03 H new ATOM 0 HE3 MET A 78 1.231 -10.784 -6.948 1.00 60.03 H new ATOM 1245 N ASP A 79 -3.422 -12.991 -7.158 1.00 43.42 N ATOM 1246 CA ASP A 79 -4.411 -13.772 -7.895 1.00 54.14 C ATOM 1247 C ASP A 79 -4.797 -13.068 -9.192 1.00 61.54 C ATOM 1248 O ASP A 79 -4.958 -13.707 -10.229 1.00 2.32 O ATOM 1249 CB ASP A 79 -5.649 -14.018 -7.031 1.00 70.21 C ATOM 1250 CG ASP A 79 -6.602 -15.018 -7.656 1.00 31.22 C ATOM 1251 OD1 ASP A 79 -6.272 -16.222 -7.682 1.00 42.43 O ATOM 1252 OD2 ASP A 79 -7.692 -14.611 -8.110 1.00 63.32 O ATOM 0 H ASP A 79 -3.754 -12.624 -6.266 1.00 43.42 H new ATOM 0 HA ASP A 79 -3.967 -14.735 -8.148 1.00 54.14 H new ATOM 0 HB2 ASP A 79 -5.338 -14.380 -6.051 1.00 70.21 H new ATOM 0 HB3 ASP A 79 -6.171 -13.074 -6.871 1.00 70.21 H new ATOM 1257 N ILE A 80 -4.923 -11.746 -9.131 1.00 64.04 N ATOM 1258 CA ILE A 80 -5.220 -10.948 -10.315 1.00 62.41 C ATOM 1259 C ILE A 80 -4.098 -11.068 -11.348 1.00 54.31 C ATOM 1260 O ILE A 80 -4.346 -11.300 -12.533 1.00 74.34 O ATOM 1261 CB ILE A 80 -5.445 -9.459 -9.955 1.00 10.22 C ATOM 1262 CG1 ILE A 80 -6.747 -9.299 -9.169 1.00 61.24 C ATOM 1263 CG2 ILE A 80 -5.465 -8.594 -11.206 1.00 73.23 C ATOM 1264 CD1 ILE A 80 -7.092 -7.859 -8.854 1.00 22.21 C ATOM 0 H ILE A 80 -4.824 -11.204 -8.273 1.00 64.04 H new ATOM 0 HA ILE A 80 -6.142 -11.339 -10.745 1.00 62.41 H new ATOM 0 HB ILE A 80 -4.615 -9.126 -9.331 1.00 10.22 H new ATOM 0 HG12 ILE A 80 -7.563 -9.743 -9.740 1.00 61.24 H new ATOM 0 HG13 ILE A 80 -6.669 -9.858 -8.236 1.00 61.24 H new ATOM 0 HG21 ILE A 80 -5.625 -7.553 -10.926 1.00 73.23 H new ATOM 0 HG22 ILE A 80 -4.513 -8.687 -11.728 1.00 73.23 H new ATOM 0 HG23 ILE A 80 -6.272 -8.921 -11.862 1.00 73.23 H new ATOM 0 HD11 ILE A 80 -8.027 -7.823 -8.295 1.00 22.21 H new ATOM 0 HD12 ILE A 80 -6.295 -7.416 -8.256 1.00 22.21 H new ATOM 0 HD13 ILE A 80 -7.202 -7.300 -9.783 1.00 22.21 H new ATOM 1276 N LEU A 81 -2.863 -10.923 -10.893 1.00 2.21 N ATOM 1277 CA LEU A 81 -1.710 -11.045 -11.777 1.00 44.11 C ATOM 1278 C LEU A 81 -1.545 -12.477 -12.273 1.00 30.40 C ATOM 1279 O LEU A 81 -1.147 -12.699 -13.413 1.00 42.43 O ATOM 1280 CB LEU A 81 -0.446 -10.575 -11.067 1.00 50.53 C ATOM 1281 CG LEU A 81 -0.358 -9.062 -10.871 1.00 5.23 C ATOM 1282 CD1 LEU A 81 0.845 -8.710 -10.024 1.00 13.21 C ATOM 1283 CD2 LEU A 81 -0.278 -8.358 -12.216 1.00 14.35 C ATOM 0 H LEU A 81 -2.632 -10.721 -9.920 1.00 2.21 H new ATOM 0 HA LEU A 81 -1.881 -10.409 -12.645 1.00 44.11 H new ATOM 0 HB2 LEU A 81 -0.390 -11.059 -10.092 1.00 50.53 H new ATOM 0 HB3 LEU A 81 0.421 -10.906 -11.638 1.00 50.53 H new ATOM 0 HG LEU A 81 -1.258 -8.727 -10.355 1.00 5.23 H new ATOM 0 HD11 LEU A 81 0.894 -7.629 -9.893 1.00 13.21 H new ATOM 0 HD12 LEU A 81 0.757 -9.190 -9.049 1.00 13.21 H new ATOM 0 HD13 LEU A 81 1.752 -9.057 -10.518 1.00 13.21 H new ATOM 0 HD21 LEU A 81 -0.216 -7.281 -12.060 1.00 14.35 H new ATOM 0 HD22 LEU A 81 0.607 -8.699 -12.753 1.00 14.35 H new ATOM 0 HD23 LEU A 81 -1.168 -8.589 -12.801 1.00 14.35 H new ATOM 1295 N ASN A 82 -1.860 -13.438 -11.412 1.00 31.43 N ATOM 1296 CA ASN A 82 -1.865 -14.855 -11.781 1.00 31.20 C ATOM 1297 C ASN A 82 -2.842 -15.085 -12.926 1.00 54.43 C ATOM 1298 O ASN A 82 -2.610 -15.893 -13.825 1.00 75.21 O ATOM 1299 CB ASN A 82 -2.286 -15.703 -10.576 1.00 10.24 C ATOM 1300 CG ASN A 82 -2.139 -17.191 -10.815 1.00 60.32 C ATOM 1301 OD1 ASN A 82 -3.025 -17.838 -11.367 1.00 23.41 O ATOM 1302 ND2 ASN A 82 -1.027 -17.745 -10.368 1.00 21.15 N ATOM 0 H ASN A 82 -2.119 -13.261 -10.441 1.00 31.43 H new ATOM 0 HA ASN A 82 -0.862 -15.144 -12.096 1.00 31.20 H new ATOM 0 HB2 ASN A 82 -1.685 -15.419 -9.712 1.00 10.24 H new ATOM 0 HB3 ASN A 82 -3.324 -15.482 -10.329 1.00 10.24 H new ATOM 0 HD21 ASN A 82 -0.878 -18.748 -10.475 1.00 21.15 H new ATOM 0 HD22 ASN A 82 -0.317 -17.170 -9.915 1.00 21.15 H new ATOM 1309 N PHE A 83 -3.935 -14.347 -12.869 1.00 31.10 N ATOM 1310 CA PHE A 83 -4.986 -14.413 -13.865 1.00 64.25 C ATOM 1311 C PHE A 83 -4.536 -13.770 -15.180 1.00 25.32 C ATOM 1312 O PHE A 83 -4.948 -14.196 -16.263 1.00 15.21 O ATOM 1313 CB PHE A 83 -6.224 -13.701 -13.303 1.00 10.52 C ATOM 1314 CG PHE A 83 -7.428 -13.695 -14.199 1.00 33.42 C ATOM 1315 CD1 PHE A 83 -8.332 -14.743 -14.173 1.00 42.22 C ATOM 1316 CD2 PHE A 83 -7.669 -12.627 -15.047 1.00 5.34 C ATOM 1317 CE1 PHE A 83 -9.453 -14.726 -14.978 1.00 24.04 C ATOM 1318 CE2 PHE A 83 -8.786 -12.607 -15.856 1.00 31.12 C ATOM 1319 CZ PHE A 83 -9.680 -13.657 -15.822 1.00 43.42 C ATOM 0 H PHE A 83 -4.119 -13.678 -12.121 1.00 31.10 H new ATOM 0 HA PHE A 83 -5.224 -15.454 -14.083 1.00 64.25 H new ATOM 0 HB2 PHE A 83 -6.497 -14.174 -12.360 1.00 10.52 H new ATOM 0 HB3 PHE A 83 -5.956 -12.669 -13.076 1.00 10.52 H new ATOM 0 HD1 PHE A 83 -8.158 -15.582 -13.516 1.00 42.22 H new ATOM 0 HD2 PHE A 83 -6.974 -11.800 -15.075 1.00 5.34 H new ATOM 0 HE1 PHE A 83 -10.152 -15.548 -14.948 1.00 24.04 H new ATOM 0 HE2 PHE A 83 -8.961 -11.770 -16.516 1.00 31.12 H new ATOM 0 HZ PHE A 83 -10.556 -13.643 -16.454 1.00 43.42 H new ATOM 1329 N TYR A 84 -3.675 -12.761 -15.082 1.00 34.24 N ATOM 1330 CA TYR A 84 -3.262 -11.991 -16.254 1.00 43.33 C ATOM 1331 C TYR A 84 -1.936 -12.456 -16.853 1.00 12.14 C ATOM 1332 O TYR A 84 -1.907 -13.007 -17.954 1.00 22.11 O ATOM 1333 CB TYR A 84 -3.152 -10.502 -15.918 1.00 72.25 C ATOM 1334 CG TYR A 84 -4.481 -9.802 -15.765 1.00 44.21 C ATOM 1335 CD1 TYR A 84 -5.495 -9.977 -16.700 1.00 64.53 C ATOM 1336 CD2 TYR A 84 -4.715 -8.950 -14.696 1.00 50.13 C ATOM 1337 CE1 TYR A 84 -6.704 -9.325 -16.571 1.00 50.10 C ATOM 1338 CE2 TYR A 84 -5.923 -8.295 -14.560 1.00 31.34 C ATOM 1339 CZ TYR A 84 -6.914 -8.485 -15.499 1.00 73.45 C ATOM 1340 OH TYR A 84 -8.118 -7.830 -15.365 1.00 0.32 O ATOM 0 H TYR A 84 -3.250 -12.457 -14.206 1.00 34.24 H new ATOM 0 HA TYR A 84 -4.040 -12.159 -16.999 1.00 43.33 H new ATOM 0 HB2 TYR A 84 -2.587 -10.391 -14.993 1.00 72.25 H new ATOM 0 HB3 TYR A 84 -2.581 -10.005 -16.702 1.00 72.25 H new ATOM 0 HD1 TYR A 84 -5.334 -10.634 -17.541 1.00 64.53 H new ATOM 0 HD2 TYR A 84 -3.941 -8.797 -13.959 1.00 50.13 H new ATOM 0 HE1 TYR A 84 -7.481 -9.472 -17.306 1.00 50.10 H new ATOM 0 HE2 TYR A 84 -6.091 -7.636 -13.721 1.00 31.34 H new ATOM 0 HH TYR A 84 -8.102 -7.278 -14.555 1.00 0.32 H new ATOM 1350 N ASN A 85 -0.843 -12.250 -16.131 1.00 31.14 N ATOM 1351 CA ASN A 85 0.480 -12.269 -16.750 1.00 31.02 C ATOM 1352 C ASN A 85 1.392 -13.340 -16.151 1.00 3.13 C ATOM 1353 O ASN A 85 1.350 -13.612 -14.953 1.00 31.53 O ATOM 1354 CB ASN A 85 1.122 -10.887 -16.598 1.00 72.13 C ATOM 1355 CG ASN A 85 2.174 -10.596 -17.651 1.00 43.22 C ATOM 1356 OD1 ASN A 85 2.835 -11.495 -18.159 1.00 13.23 O ATOM 1357 ND2 ASN A 85 2.332 -9.327 -17.988 1.00 23.34 N ATOM 0 H ASN A 85 -0.842 -12.070 -15.127 1.00 31.14 H new ATOM 0 HA ASN A 85 0.353 -12.517 -17.804 1.00 31.02 H new ATOM 0 HB2 ASN A 85 0.344 -10.125 -16.651 1.00 72.13 H new ATOM 0 HB3 ASN A 85 1.576 -10.811 -15.610 1.00 72.13 H new ATOM 0 HD21 ASN A 85 3.023 -9.069 -18.693 1.00 23.34 H new ATOM 0 HD22 ASN A 85 1.763 -8.607 -17.543 1.00 23.34 H new ATOM 1364 N LYS A 86 2.220 -13.935 -17.005 1.00 72.20 N ATOM 1365 CA LYS A 86 3.183 -14.950 -16.592 1.00 51.52 C ATOM 1366 C LYS A 86 4.618 -14.462 -16.844 1.00 1.31 C ATOM 1367 O LYS A 86 5.587 -15.098 -16.429 1.00 23.21 O ATOM 1368 CB LYS A 86 2.907 -16.252 -17.361 1.00 53.52 C ATOM 1369 CG LYS A 86 3.879 -17.390 -17.070 1.00 60.41 C ATOM 1370 CD LYS A 86 3.833 -17.829 -15.615 1.00 25.32 C ATOM 1371 CE LYS A 86 2.464 -18.363 -15.231 1.00 73.31 C ATOM 1372 NZ LYS A 86 2.462 -18.937 -13.862 1.00 34.12 N ATOM 0 H LYS A 86 2.242 -13.727 -18.003 1.00 72.20 H new ATOM 0 HA LYS A 86 3.077 -15.138 -15.524 1.00 51.52 H new ATOM 0 HB2 LYS A 86 1.897 -16.588 -17.126 1.00 53.52 H new ATOM 0 HB3 LYS A 86 2.931 -16.038 -18.429 1.00 53.52 H new ATOM 0 HG2 LYS A 86 3.643 -18.239 -17.711 1.00 60.41 H new ATOM 0 HG3 LYS A 86 4.892 -17.073 -17.320 1.00 60.41 H new ATOM 0 HD2 LYS A 86 4.585 -18.599 -15.444 1.00 25.32 H new ATOM 0 HD3 LYS A 86 4.088 -16.986 -14.973 1.00 25.32 H new ATOM 0 HE2 LYS A 86 1.730 -17.559 -15.289 1.00 73.31 H new ATOM 0 HE3 LYS A 86 2.158 -19.127 -15.946 1.00 73.31 H new ATOM 0 HZ1 LYS A 86 2.429 -19.975 -13.921 1.00 34.12 H new ATOM 0 HZ2 LYS A 86 3.326 -18.646 -13.362 1.00 34.12 H new ATOM 0 HZ3 LYS A 86 1.629 -18.593 -13.343 1.00 34.12 H new ATOM 1386 N ASP A 87 4.739 -13.312 -17.501 1.00 21.24 N ATOM 1387 CA ASP A 87 6.045 -12.764 -17.884 1.00 11.12 C ATOM 1388 C ASP A 87 6.927 -12.486 -16.671 1.00 31.12 C ATOM 1389 O ASP A 87 7.974 -13.111 -16.498 1.00 34.15 O ATOM 1390 CB ASP A 87 5.866 -11.477 -18.691 1.00 11.10 C ATOM 1391 CG ASP A 87 7.185 -10.801 -19.009 1.00 72.11 C ATOM 1392 OD1 ASP A 87 7.880 -11.253 -19.943 1.00 41.30 O ATOM 1393 OD2 ASP A 87 7.529 -9.815 -18.331 1.00 63.11 O ATOM 0 H ASP A 87 3.946 -12.736 -17.782 1.00 21.24 H new ATOM 0 HA ASP A 87 6.542 -13.517 -18.496 1.00 11.12 H new ATOM 0 HB2 ASP A 87 5.345 -11.705 -19.621 1.00 11.10 H new ATOM 0 HB3 ASP A 87 5.234 -10.787 -18.132 1.00 11.10 H new ATOM 1398 N MET A 88 6.503 -11.551 -15.832 1.00 72.51 N ATOM 1399 CA MET A 88 7.269 -11.200 -14.642 1.00 44.45 C ATOM 1400 C MET A 88 6.837 -12.074 -13.471 1.00 32.02 C ATOM 1401 O MET A 88 7.433 -12.043 -12.401 1.00 55.31 O ATOM 1402 CB MET A 88 7.088 -9.715 -14.291 1.00 23.13 C ATOM 1403 CG MET A 88 5.820 -9.410 -13.505 1.00 44.42 C ATOM 1404 SD MET A 88 4.309 -9.841 -14.391 1.00 63.12 S ATOM 1405 CE MET A 88 3.092 -9.563 -13.105 1.00 42.20 C ATOM 0 H MET A 88 5.638 -11.024 -15.951 1.00 72.51 H new ATOM 0 HA MET A 88 8.325 -11.373 -14.848 1.00 44.45 H new ATOM 0 HB2 MET A 88 7.950 -9.382 -13.712 1.00 23.13 H new ATOM 0 HB3 MET A 88 7.079 -9.134 -15.213 1.00 23.13 H new ATOM 0 HG2 MET A 88 5.847 -9.954 -12.561 1.00 44.42 H new ATOM 0 HG3 MET A 88 5.799 -8.348 -13.261 1.00 44.42 H new ATOM 0 HE1 MET A 88 2.196 -10.144 -13.321 1.00 42.20 H new ATOM 0 HE2 MET A 88 3.502 -9.871 -12.143 1.00 42.20 H new ATOM 0 HE3 MET A 88 2.837 -8.504 -13.068 1.00 42.20 H new ATOM 1415 N TYR A 89 5.791 -12.851 -13.688 1.00 23.25 N ATOM 1416 CA TYR A 89 5.271 -13.739 -12.670 1.00 1.03 C ATOM 1417 C TYR A 89 6.270 -14.865 -12.400 1.00 13.24 C ATOM 1418 O TYR A 89 7.215 -15.054 -13.171 1.00 25.22 O ATOM 1419 CB TYR A 89 3.926 -14.294 -13.133 1.00 25.14 C ATOM 1420 CG TYR A 89 3.006 -14.695 -12.010 1.00 0.44 C ATOM 1421 CD1 TYR A 89 2.493 -13.742 -11.142 1.00 44.31 C ATOM 1422 CD2 TYR A 89 2.660 -16.020 -11.814 1.00 13.12 C ATOM 1423 CE1 TYR A 89 1.651 -14.101 -10.109 1.00 64.32 C ATOM 1424 CE2 TYR A 89 1.820 -16.388 -10.785 1.00 61.15 C ATOM 1425 CZ TYR A 89 1.322 -15.427 -9.932 1.00 53.04 C ATOM 1426 OH TYR A 89 0.486 -15.795 -8.903 1.00 45.01 O ATOM 0 H TYR A 89 5.282 -12.883 -14.571 1.00 23.25 H new ATOM 0 HA TYR A 89 5.123 -13.193 -11.738 1.00 1.03 H new ATOM 0 HB2 TYR A 89 3.427 -13.544 -13.746 1.00 25.14 H new ATOM 0 HB3 TYR A 89 4.103 -15.160 -13.770 1.00 25.14 H new ATOM 0 HD1 TYR A 89 2.757 -12.703 -11.277 1.00 44.31 H new ATOM 0 HD2 TYR A 89 3.054 -16.777 -12.477 1.00 13.12 H new ATOM 0 HE1 TYR A 89 1.253 -13.348 -9.445 1.00 64.32 H new ATOM 0 HE2 TYR A 89 1.553 -17.425 -10.648 1.00 61.15 H new ATOM 0 HH TYR A 89 0.997 -16.286 -8.226 1.00 45.01 H new ATOM 1436 N ASN A 90 6.069 -15.578 -11.290 1.00 4.44 N ATOM 1437 CA ASN A 90 6.934 -16.694 -10.876 1.00 5.30 C ATOM 1438 C ASN A 90 8.204 -16.190 -10.189 1.00 74.42 C ATOM 1439 O ASN A 90 8.946 -16.972 -9.593 1.00 61.44 O ATOM 1440 CB ASN A 90 7.283 -17.626 -12.048 1.00 14.24 C ATOM 1441 CG ASN A 90 6.116 -18.500 -12.483 1.00 10.42 C ATOM 1442 OD1 ASN A 90 4.947 -18.138 -12.321 1.00 4.32 O ATOM 1443 ND2 ASN A 90 6.424 -19.651 -13.056 1.00 72.02 N ATOM 0 H ASN A 90 5.298 -15.399 -10.647 1.00 4.44 H new ATOM 0 HA ASN A 90 6.364 -17.279 -10.154 1.00 5.30 H new ATOM 0 HB2 ASN A 90 7.615 -17.026 -12.895 1.00 14.24 H new ATOM 0 HB3 ASN A 90 8.119 -18.263 -11.761 1.00 14.24 H new ATOM 0 HD21 ASN A 90 5.684 -20.273 -13.381 1.00 72.02 H new ATOM 0 HD22 ASN A 90 7.402 -19.917 -13.173 1.00 72.02 H new ATOM 1450 N GLN A 91 8.452 -14.884 -10.271 1.00 54.11 N ATOM 1451 CA GLN A 91 9.558 -14.268 -9.538 1.00 53.40 C ATOM 1452 C GLN A 91 9.090 -13.891 -8.139 1.00 53.30 C ATOM 1453 O GLN A 91 9.875 -13.784 -7.197 1.00 74.23 O ATOM 1454 CB GLN A 91 10.063 -13.005 -10.250 1.00 73.04 C ATOM 1455 CG GLN A 91 9.156 -11.794 -10.068 1.00 53.42 C ATOM 1456 CD GLN A 91 9.699 -10.526 -10.702 1.00 21.11 C ATOM 1457 OE1 GLN A 91 11.015 -10.379 -10.726 1.00 11.22 O flip ATOM 1458 NE2 GLN A 91 8.935 -9.669 -11.145 1.00 44.14 N flip ATOM 0 H GLN A 91 7.905 -14.234 -10.835 1.00 54.11 H new ATOM 0 HA GLN A 91 10.374 -14.989 -9.487 1.00 53.40 H new ATOM 0 HB2 GLN A 91 11.058 -12.762 -9.877 1.00 73.04 H new ATOM 0 HB3 GLN A 91 10.164 -13.215 -11.315 1.00 73.04 H new ATOM 0 HG2 GLN A 91 8.179 -12.015 -10.497 1.00 53.42 H new ATOM 0 HG3 GLN A 91 9.004 -11.621 -9.003 1.00 53.42 H new ATOM 0 HE21 GLN A 91 7.926 -9.817 -11.109 1.00 44.14 H new ATOM 0 HE22 GLN A 91 9.310 -8.810 -11.548 1.00 44.14 H new ATOM 1467 N LEU A 92 7.789 -13.703 -8.028 1.00 23.13 N ATOM 1468 CA LEU A 92 7.168 -13.205 -6.813 1.00 14.32 C ATOM 1469 C LEU A 92 7.003 -14.321 -5.788 1.00 51.34 C ATOM 1470 O LEU A 92 7.272 -14.136 -4.603 1.00 45.21 O ATOM 1471 CB LEU A 92 5.830 -12.566 -7.181 1.00 2.11 C ATOM 1472 CG LEU A 92 5.958 -11.388 -8.149 1.00 74.12 C ATOM 1473 CD1 LEU A 92 4.653 -11.132 -8.878 1.00 32.04 C ATOM 1474 CD2 LEU A 92 6.404 -10.141 -7.403 1.00 22.43 C ATOM 0 H LEU A 92 7.128 -13.892 -8.782 1.00 23.13 H new ATOM 0 HA LEU A 92 7.806 -12.452 -6.349 1.00 14.32 H new ATOM 0 HB2 LEU A 92 5.186 -13.324 -7.627 1.00 2.11 H new ATOM 0 HB3 LEU A 92 5.337 -12.225 -6.270 1.00 2.11 H new ATOM 0 HG LEU A 92 6.712 -11.642 -8.894 1.00 74.12 H new ATOM 0 HD11 LEU A 92 4.776 -10.289 -9.558 1.00 32.04 H new ATOM 0 HD12 LEU A 92 4.373 -12.019 -9.446 1.00 32.04 H new ATOM 0 HD13 LEU A 92 3.871 -10.903 -8.154 1.00 32.04 H new ATOM 0 HD21 LEU A 92 6.491 -9.310 -8.103 1.00 22.43 H new ATOM 0 HD22 LEU A 92 5.670 -9.894 -6.636 1.00 22.43 H new ATOM 0 HD23 LEU A 92 7.371 -10.324 -6.934 1.00 22.43 H new ATOM 1486 N GLU A 93 6.585 -15.482 -6.259 1.00 31.52 N ATOM 1487 CA GLU A 93 6.499 -16.668 -5.416 1.00 32.03 C ATOM 1488 C GLU A 93 7.781 -17.489 -5.524 1.00 75.45 C ATOM 1489 O GLU A 93 7.810 -18.670 -5.182 1.00 53.33 O ATOM 1490 CB GLU A 93 5.295 -17.534 -5.801 1.00 33.41 C ATOM 1491 CG GLU A 93 5.208 -17.852 -7.285 1.00 30.34 C ATOM 1492 CD GLU A 93 4.505 -16.764 -8.065 1.00 34.12 C ATOM 1493 OE1 GLU A 93 3.267 -16.838 -8.185 1.00 62.03 O ATOM 1494 OE2 GLU A 93 5.187 -15.831 -8.548 1.00 51.24 O ATOM 0 H GLU A 93 6.298 -15.632 -7.226 1.00 31.52 H new ATOM 0 HA GLU A 93 6.369 -16.337 -4.386 1.00 32.03 H new ATOM 0 HB2 GLU A 93 5.340 -18.469 -5.242 1.00 33.41 H new ATOM 0 HB3 GLU A 93 4.382 -17.024 -5.496 1.00 33.41 H new ATOM 0 HG2 GLU A 93 6.213 -17.991 -7.684 1.00 30.34 H new ATOM 0 HG3 GLU A 93 4.678 -18.794 -7.422 1.00 30.34 H new ATOM 1501 N HIS A 94 8.848 -16.846 -5.983 1.00 52.24 N ATOM 1502 CA HIS A 94 10.135 -17.513 -6.143 1.00 21.54 C ATOM 1503 C HIS A 94 10.855 -17.594 -4.797 1.00 52.44 C ATOM 1504 O HIS A 94 12.002 -18.029 -4.707 1.00 21.24 O ATOM 1505 CB HIS A 94 10.988 -16.767 -7.171 1.00 42.12 C ATOM 1506 CG HIS A 94 12.110 -17.580 -7.738 1.00 21.45 C ATOM 1507 ND1 HIS A 94 13.408 -17.128 -7.806 1.00 31.22 N ATOM 1508 CD2 HIS A 94 12.115 -18.816 -8.294 1.00 64.50 C ATOM 1509 CE1 HIS A 94 14.162 -18.047 -8.379 1.00 23.44 C ATOM 1510 NE2 HIS A 94 13.401 -19.083 -8.685 1.00 63.23 N ATOM 0 H HIS A 94 8.848 -15.862 -6.251 1.00 52.24 H new ATOM 0 HA HIS A 94 9.969 -18.528 -6.505 1.00 21.54 H new ATOM 0 HB2 HIS A 94 10.346 -16.434 -7.987 1.00 42.12 H new ATOM 0 HB3 HIS A 94 11.401 -15.873 -6.705 1.00 42.12 H new ATOM 0 HD2 HIS A 94 11.263 -19.470 -8.408 1.00 64.50 H new ATOM 0 HE1 HIS A 94 15.223 -17.966 -8.566 1.00 23.44 H new ATOM 0 HE2 HIS A 94 13.718 -19.940 -9.138 1.00 63.23 H new ATOM 1519 N HIS A 95 10.164 -17.156 -3.753 1.00 35.52 N ATOM 1520 CA HIS A 95 10.651 -17.271 -2.386 1.00 52.53 C ATOM 1521 C HIS A 95 9.583 -17.956 -1.539 1.00 42.25 C ATOM 1522 O HIS A 95 8.388 -17.729 -1.744 1.00 71.33 O ATOM 1523 CB HIS A 95 10.990 -15.892 -1.801 1.00 71.12 C ATOM 1524 CG HIS A 95 12.093 -15.170 -2.522 1.00 20.51 C ATOM 1525 ND1 HIS A 95 13.416 -15.235 -2.139 1.00 51.21 N ATOM 1526 CD2 HIS A 95 12.059 -14.351 -3.603 1.00 43.20 C ATOM 1527 CE1 HIS A 95 14.146 -14.491 -2.950 1.00 61.11 C ATOM 1528 NE2 HIS A 95 13.348 -13.945 -3.847 1.00 71.15 N ATOM 0 H HIS A 95 9.250 -16.711 -3.831 1.00 35.52 H new ATOM 0 HA HIS A 95 11.566 -17.864 -2.383 1.00 52.53 H new ATOM 0 HB2 HIS A 95 10.093 -15.272 -1.818 1.00 71.12 H new ATOM 0 HB3 HIS A 95 11.273 -16.013 -0.755 1.00 71.12 H new ATOM 0 HD2 HIS A 95 11.182 -14.071 -4.167 1.00 43.20 H new ATOM 0 HE1 HIS A 95 15.215 -14.353 -2.889 1.00 61.11 H new ATOM 0 HE2 HIS A 95 13.641 -13.322 -4.600 1.00 71.15 H new ATOM 1537 N HIS A 96 10.003 -18.804 -0.612 1.00 41.30 N ATOM 1538 CA HIS A 96 9.060 -19.565 0.205 1.00 34.31 C ATOM 1539 C HIS A 96 8.496 -18.707 1.336 1.00 54.11 C ATOM 1540 O HIS A 96 9.109 -17.722 1.743 1.00 41.04 O ATOM 1541 CB HIS A 96 9.730 -20.821 0.791 1.00 13.31 C ATOM 1542 CG HIS A 96 10.697 -20.540 1.909 1.00 54.42 C ATOM 1543 ND1 HIS A 96 10.482 -20.941 3.210 1.00 55.10 N ATOM 1544 CD2 HIS A 96 11.881 -19.887 1.915 1.00 33.01 C ATOM 1545 CE1 HIS A 96 11.488 -20.541 3.963 1.00 34.11 C ATOM 1546 NE2 HIS A 96 12.353 -19.898 3.204 1.00 51.22 N ATOM 0 H HIS A 96 10.985 -18.984 -0.405 1.00 41.30 H new ATOM 0 HA HIS A 96 8.240 -19.872 -0.443 1.00 34.31 H new ATOM 0 HB2 HIS A 96 8.955 -21.495 1.157 1.00 13.31 H new ATOM 0 HB3 HIS A 96 10.257 -21.344 -0.007 1.00 13.31 H new ATOM 0 HD2 HIS A 96 12.367 -19.438 1.061 1.00 33.01 H new ATOM 0 HE1 HIS A 96 11.587 -20.712 5.025 1.00 34.11 H new ATOM 0 HE2 HIS A 96 13.227 -19.479 3.521 1.00 51.22 H new ATOM 1555 N HIS A 97 7.328 -19.090 1.833 1.00 54.35 N ATOM 1556 CA HIS A 97 6.746 -18.433 2.997 1.00 63.11 C ATOM 1557 C HIS A 97 6.309 -19.476 4.017 1.00 34.20 C ATOM 1558 O HIS A 97 6.232 -20.666 3.704 1.00 72.53 O ATOM 1559 CB HIS A 97 5.577 -17.505 2.617 1.00 11.33 C ATOM 1560 CG HIS A 97 4.345 -18.190 2.098 1.00 22.42 C ATOM 1561 ND1 HIS A 97 3.166 -18.261 2.812 1.00 21.54 N ATOM 1562 CD2 HIS A 97 4.096 -18.791 0.911 1.00 22.12 C ATOM 1563 CE1 HIS A 97 2.251 -18.876 2.086 1.00 72.31 C ATOM 1564 NE2 HIS A 97 2.786 -19.206 0.923 1.00 33.24 N ATOM 0 H HIS A 97 6.766 -19.850 1.450 1.00 54.35 H new ATOM 0 HA HIS A 97 7.514 -17.800 3.443 1.00 63.11 H new ATOM 0 HB2 HIS A 97 5.302 -16.919 3.494 1.00 11.33 H new ATOM 0 HB3 HIS A 97 5.926 -16.802 1.860 1.00 11.33 H new ATOM 0 HD2 HIS A 97 4.799 -18.921 0.102 1.00 22.12 H new ATOM 0 HE1 HIS A 97 1.235 -19.076 2.391 1.00 72.31 H new ATOM 0 HE2 HIS A 97 2.307 -19.688 0.162 1.00 33.24 H new ATOM 1573 N HIS A 98 6.019 -19.025 5.226 1.00 42.23 N ATOM 1574 CA HIS A 98 5.742 -19.921 6.344 1.00 25.51 C ATOM 1575 C HIS A 98 4.365 -20.576 6.227 1.00 41.34 C ATOM 1576 O HIS A 98 3.338 -19.926 6.427 1.00 51.13 O ATOM 1577 CB HIS A 98 5.857 -19.148 7.663 1.00 64.21 C ATOM 1578 CG HIS A 98 5.659 -19.983 8.892 1.00 63.31 C ATOM 1579 ND1 HIS A 98 6.700 -20.551 9.590 1.00 11.01 N ATOM 1580 CD2 HIS A 98 4.532 -20.326 9.560 1.00 54.23 C ATOM 1581 CE1 HIS A 98 6.223 -21.207 10.630 1.00 3.30 C ATOM 1582 NE2 HIS A 98 4.909 -21.086 10.636 1.00 11.44 N ATOM 0 H HIS A 98 5.968 -18.034 5.463 1.00 42.23 H new ATOM 0 HA HIS A 98 6.480 -20.723 6.323 1.00 25.51 H new ATOM 0 HB2 HIS A 98 6.841 -18.681 7.711 1.00 64.21 H new ATOM 0 HB3 HIS A 98 5.122 -18.343 7.663 1.00 64.21 H new ATOM 0 HD2 HIS A 98 3.522 -20.051 9.294 1.00 54.23 H new ATOM 0 HE1 HIS A 98 6.809 -21.752 11.355 1.00 3.30 H new ATOM 0 HE2 HIS A 98 4.278 -21.491 11.327 1.00 11.44 H new ATOM 1591 N HIS A 99 4.369 -21.867 5.898 1.00 4.41 N ATOM 1592 CA HIS A 99 3.156 -22.691 5.900 1.00 74.34 C ATOM 1593 C HIS A 99 3.518 -24.149 5.630 1.00 31.22 C ATOM 1594 O HIS A 99 4.554 -24.431 5.019 1.00 23.11 O ATOM 1595 CB HIS A 99 2.128 -22.214 4.863 1.00 64.00 C ATOM 1596 CG HIS A 99 0.805 -22.917 4.981 1.00 33.44 C ATOM 1597 ND1 HIS A 99 0.203 -23.587 3.938 1.00 3.13 N ATOM 1598 CD2 HIS A 99 -0.027 -23.055 6.041 1.00 65.55 C ATOM 1599 CE1 HIS A 99 -0.940 -24.106 4.354 1.00 15.23 C ATOM 1600 NE2 HIS A 99 -1.102 -23.797 5.627 1.00 12.14 N ATOM 0 H HIS A 99 5.211 -22.373 5.623 1.00 4.41 H new ATOM 0 HA HIS A 99 2.700 -22.595 6.885 1.00 74.34 H new ATOM 0 HB2 HIS A 99 1.975 -21.141 4.979 1.00 64.00 H new ATOM 0 HB3 HIS A 99 2.529 -22.373 3.862 1.00 64.00 H new ATOM 0 HD2 HIS A 99 0.129 -22.654 7.031 1.00 65.55 H new ATOM 0 HE1 HIS A 99 -1.626 -24.685 3.753 1.00 15.23 H new ATOM 0 HE2 HIS A 99 -1.897 -24.066 6.207 1.00 12.14 H new TER 1609 HIS A 99