USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1085 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 67 CYS SG : rot -119:sc= -2.04! USER MOD Set 1.2: A 71 CYS SG : rot 95:sc= -0.157 USER MOD Set 1.3: A 98 SER OG : rot 84:sc= 1.79 USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot -12:sc= 0.662 USER MOD Set 2.3: A 87 GLN : amide:sc= -2.1! K(o=-1.4!,f=0.39) USER MOD Set 3.1: A 22 ASN : amide:sc= -2.11 X(o=-1.2,f=-1.2!) USER MOD Set 3.2: A 37 TYR OH : rot -64:sc= -0.405 USER MOD Set 3.3: A 53 ASN : amide:sc= 1.27 K(o=-1.2,f=-2.6) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= -0.062 (180deg=-0.272) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.73 K(o=-0.73,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= -0.0385 (180deg=-0.225) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= -0.036 (180deg=-0.238) USER MOD Single : A 25 TYR OH : rot 13:sc=0.000633 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0361 (180deg=-0.271) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= -0.193 K(o=-0.19,f=-5.6!) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc=-0.00489 (180deg=-0.0843) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00835) USER MOD Single : A 46 THR OG1 : rot -18:sc= 1.19 USER MOD Single : A 47 ASN : amide:sc= -3.12! K(o=-3.1!,f=-1.3) USER MOD Single : A 48 MET CE :methyl -122:sc= -6.92! (180deg=-9.15!) USER MOD Single : A 50 TYR OH : rot 171:sc= -0.286 USER MOD Single : A 54 GLN : amide:sc= -10.3! C(o=-10!,f=-19!) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.98 USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= 1.21 (180deg=0.56) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.718! K(o=-0.72!,f=-0.02) USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= 1.31 (180deg=0.97) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.0025) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc=-0.00165 USER MOD Single : A 97 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.2!) USER MOD Single : A 99 TYR OH : rot 30:sc= -0.483 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -113:sc= 0.154 (180deg=-0.295) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 171:sc=-0.000477 (180deg=-0.081) USER MOD Single : A 110 HIS : no HE2:sc= -0.34 K(o=-0.34,f=-1.5) USER MOD Single : A 112 TYR OH : rot 177:sc= 0.52 USER MOD Single : A 113 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.18) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 120:sc= -0.798! USER MOD Single : A 119 HIS : no HE2:sc= -1.96 K(o=-2,f=-3.8!) USER MOD Single : A 121 THR OG1 : rot 38:sc= -0.731 USER MOD Single : A 126 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00267) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 CYS SG : rot 29:sc= -14.3! USER MOD Single : A 129 GLN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 130 GLN : amide:sc= -3.9! C(o=-3.9!,f=-9.3!) USER MOD Single : A 133 LYS NZ :NH3+ -175:sc= 1.19 (180deg=1.05) USER MOD Single : A 136 LYS NZ :NH3+ -147:sc= 0.776 (180deg=0.392) USER MOD Single : A 138 GLN : amide:sc= -1.49! C(o=-1.5!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 24.952 -7.059 1.421 1.00 1.26 N ATOM 2 CA GLU A 9 24.012 -6.928 0.287 1.00 1.05 C ATOM 3 C GLU A 9 23.090 -5.729 0.501 1.00 0.90 C ATOM 4 O GLU A 9 22.839 -5.310 1.634 1.00 0.98 O ATOM 5 CB GLU A 9 23.191 -8.213 0.137 1.00 1.37 C ATOM 6 CG GLU A 9 22.231 -8.192 -1.041 1.00 2.20 C ATOM 7 CD GLU A 9 21.437 -9.471 -1.170 1.00 2.80 C ATOM 8 OE1 GLU A 9 20.733 -9.842 -0.211 1.00 3.20 O ATOM 9 OE2 GLU A 9 21.514 -10.118 -2.229 1.00 3.26 O ATOM 0 HA GLU A 9 24.582 -6.767 -0.628 1.00 1.05 H new ATOM 0 HB2 GLU A 9 23.871 -9.057 0.024 1.00 1.37 H new ATOM 0 HB3 GLU A 9 22.624 -8.380 1.053 1.00 1.37 H new ATOM 0 HG2 GLU A 9 21.544 -7.353 -0.930 1.00 2.20 H new ATOM 0 HG3 GLU A 9 22.793 -8.024 -1.960 1.00 2.20 H new ATOM 18 N ASN A 10 22.590 -5.186 -0.612 1.00 0.79 N ATOM 19 CA ASN A 10 21.791 -3.965 -0.609 1.00 0.66 C ATOM 20 C ASN A 10 20.487 -4.118 0.161 1.00 0.59 C ATOM 21 O ASN A 10 19.910 -3.120 0.566 1.00 0.53 O ATOM 22 CB ASN A 10 21.502 -3.488 -2.040 1.00 0.62 C ATOM 23 CG ASN A 10 22.751 -3.006 -2.756 1.00 1.14 C ATOM 24 OD1 ASN A 10 23.690 -2.514 -2.130 1.00 1.94 O ATOM 25 ND2 ASN A 10 22.765 -3.136 -4.073 1.00 1.45 N ATOM 0 H ASN A 10 22.730 -5.584 -1.541 1.00 0.79 H new ATOM 0 HA ASN A 10 22.388 -3.212 -0.095 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.054 -4.303 -2.608 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.770 -2.681 -2.010 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.575 -2.823 -4.608 1.00 1.45 H new ATOM 0 HD22 ASN A 10 21.966 -3.549 -4.553 1.00 1.45 H new ATOM 32 N LYS A 11 20.020 -5.353 0.352 1.00 0.63 N ATOM 33 CA LYS A 11 18.793 -5.596 1.121 1.00 0.62 C ATOM 34 C LYS A 11 18.869 -4.948 2.501 1.00 0.62 C ATOM 35 O LYS A 11 17.918 -4.303 2.949 1.00 0.58 O ATOM 36 CB LYS A 11 18.530 -7.093 1.298 1.00 0.71 C ATOM 37 CG LYS A 11 18.197 -7.835 0.020 1.00 0.79 C ATOM 38 CD LYS A 11 17.744 -9.253 0.329 1.00 1.12 C ATOM 39 CE LYS A 11 17.357 -10.015 -0.927 1.00 1.50 C ATOM 40 NZ LYS A 11 18.488 -10.120 -1.883 1.00 2.19 N ATOM 0 H LYS A 11 20.466 -6.195 -0.011 1.00 0.63 H new ATOM 0 HA LYS A 11 17.976 -5.151 0.553 1.00 0.62 H new ATOM 0 HB2 LYS A 11 19.410 -7.551 1.749 1.00 0.71 H new ATOM 0 HB3 LYS A 11 17.708 -7.222 2.002 1.00 0.71 H new ATOM 0 HG2 LYS A 11 17.412 -7.306 -0.520 1.00 0.79 H new ATOM 0 HG3 LYS A 11 19.071 -7.860 -0.631 1.00 0.79 H new ATOM 0 HD2 LYS A 11 18.544 -9.785 0.843 1.00 1.12 H new ATOM 0 HD3 LYS A 11 16.893 -9.221 1.010 1.00 1.12 H new ATOM 0 HE2 LYS A 11 17.018 -11.015 -0.655 1.00 1.50 H new ATOM 0 HE3 LYS A 11 16.518 -9.515 -1.411 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 18.233 -10.772 -2.652 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 18.696 -9.181 -2.279 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 19.329 -10.481 -1.388 1.00 2.19 H new ATOM 54 N LYS A 12 20.008 -5.115 3.164 1.00 0.70 N ATOM 55 CA LYS A 12 20.205 -4.565 4.499 1.00 0.74 C ATOM 56 C LYS A 12 20.169 -3.041 4.462 1.00 0.66 C ATOM 57 O LYS A 12 19.556 -2.399 5.318 1.00 0.63 O ATOM 58 CB LYS A 12 21.533 -5.057 5.079 1.00 0.90 C ATOM 59 CG LYS A 12 21.814 -4.553 6.485 1.00 1.54 C ATOM 60 CD LYS A 12 23.076 -5.171 7.068 1.00 2.02 C ATOM 61 CE LYS A 12 22.933 -6.677 7.250 1.00 2.38 C ATOM 62 NZ LYS A 12 24.102 -7.262 7.961 1.00 2.83 N ATOM 0 H LYS A 12 20.810 -5.628 2.797 1.00 0.70 H new ATOM 0 HA LYS A 12 19.394 -4.909 5.141 1.00 0.74 H new ATOM 0 HB2 LYS A 12 21.533 -6.147 5.087 1.00 0.90 H new ATOM 0 HB3 LYS A 12 22.344 -4.743 4.422 1.00 0.90 H new ATOM 0 HG2 LYS A 12 21.916 -3.468 6.468 1.00 1.54 H new ATOM 0 HG3 LYS A 12 20.966 -4.784 7.130 1.00 1.54 H new ATOM 0 HD2 LYS A 12 23.920 -4.962 6.411 1.00 2.02 H new ATOM 0 HD3 LYS A 12 23.298 -4.708 8.029 1.00 2.02 H new ATOM 0 HE2 LYS A 12 22.023 -6.890 7.810 1.00 2.38 H new ATOM 0 HE3 LYS A 12 22.826 -7.152 6.275 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 23.967 -8.288 8.065 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 24.968 -7.081 7.414 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 24.190 -6.827 8.902 1.00 2.83 H new ATOM 76 N GLN A 13 20.820 -2.468 3.457 1.00 0.64 N ATOM 77 CA GLN A 13 20.829 -1.036 3.274 1.00 0.59 C ATOM 78 C GLN A 13 19.446 -0.549 2.854 1.00 0.50 C ATOM 79 O GLN A 13 19.058 0.578 3.145 1.00 0.49 O ATOM 80 CB GLN A 13 21.870 -0.663 2.224 1.00 0.62 C ATOM 81 CG GLN A 13 22.277 0.788 2.287 1.00 0.90 C ATOM 82 CD GLN A 13 23.401 1.138 1.329 1.00 1.51 C ATOM 83 OE1 GLN A 13 24.204 2.032 1.601 1.00 2.07 O ATOM 84 NE2 GLN A 13 23.465 0.447 0.201 1.00 2.26 N ATOM 0 H GLN A 13 21.350 -2.985 2.755 1.00 0.64 H new ATOM 0 HA GLN A 13 21.088 -0.554 4.217 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.753 -1.288 2.357 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.472 -0.880 1.233 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.411 1.411 2.063 1.00 0.90 H new ATOM 0 HG3 GLN A 13 22.588 1.027 3.304 1.00 0.90 H new ATOM 0 HE21 GLN A 13 22.781 -0.286 0.012 1.00 2.26 H new ATOM 0 HE22 GLN A 13 24.198 0.648 -0.479 1.00 2.26 H new ATOM 93 N ALA A 14 18.706 -1.415 2.168 1.00 0.46 N ATOM 94 CA ALA A 14 17.345 -1.112 1.750 1.00 0.38 C ATOM 95 C ALA A 14 16.453 -0.903 2.967 1.00 0.39 C ATOM 96 O ALA A 14 15.534 -0.092 2.939 1.00 0.36 O ATOM 97 CB ALA A 14 16.803 -2.225 0.857 1.00 0.36 C ATOM 0 H ALA A 14 19.032 -2.340 1.889 1.00 0.46 H new ATOM 0 HA ALA A 14 17.352 -0.188 1.171 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.784 -1.984 0.553 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.433 -2.321 -0.027 1.00 0.36 H new ATOM 0 HB3 ALA A 14 16.804 -3.166 1.407 1.00 0.36 H new ATOM 103 N LEU A 15 16.734 -1.630 4.041 1.00 0.45 N ATOM 104 CA LEU A 15 16.029 -1.420 5.300 1.00 0.47 C ATOM 105 C LEU A 15 16.335 -0.033 5.844 1.00 0.49 C ATOM 106 O LEU A 15 15.445 0.661 6.333 1.00 0.49 O ATOM 107 CB LEU A 15 16.424 -2.481 6.330 1.00 0.54 C ATOM 108 CG LEU A 15 15.811 -3.863 6.117 1.00 1.13 C ATOM 109 CD1 LEU A 15 16.451 -4.878 7.049 1.00 1.98 C ATOM 110 CD2 LEU A 15 14.306 -3.813 6.345 1.00 1.31 C ATOM 0 H LEU A 15 17.440 -2.366 4.067 1.00 0.45 H new ATOM 0 HA LEU A 15 14.959 -1.505 5.110 1.00 0.47 H new ATOM 0 HB2 LEU A 15 17.510 -2.580 6.326 1.00 0.54 H new ATOM 0 HB3 LEU A 15 16.139 -2.125 7.320 1.00 0.54 H new ATOM 0 HG LEU A 15 16.000 -4.171 5.088 1.00 1.13 H new ATOM 0 HD11 LEU A 15 16.002 -5.857 6.884 1.00 1.98 H new ATOM 0 HD12 LEU A 15 17.521 -4.931 6.850 1.00 1.98 H new ATOM 0 HD13 LEU A 15 16.289 -4.575 8.083 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.881 -4.805 6.190 1.00 1.31 H new ATOM 0 HD22 LEU A 15 14.103 -3.487 7.365 1.00 1.31 H new ATOM 0 HD23 LEU A 15 13.855 -3.111 5.643 1.00 1.31 H new ATOM 122 N LYS A 16 17.595 0.368 5.734 1.00 0.51 N ATOM 123 CA LYS A 16 18.018 1.689 6.176 1.00 0.54 C ATOM 124 C LYS A 16 17.346 2.763 5.328 1.00 0.48 C ATOM 125 O LYS A 16 16.860 3.764 5.850 1.00 0.49 O ATOM 126 CB LYS A 16 19.542 1.818 6.094 1.00 0.62 C ATOM 127 CG LYS A 16 20.087 3.109 6.688 1.00 0.79 C ATOM 128 CD LYS A 16 19.839 3.185 8.187 1.00 1.64 C ATOM 129 CE LYS A 16 20.413 4.459 8.790 1.00 1.89 C ATOM 130 NZ LYS A 16 21.886 4.551 8.616 1.00 2.88 N ATOM 0 H LYS A 16 18.343 -0.204 5.342 1.00 0.51 H new ATOM 0 HA LYS A 16 17.718 1.824 7.215 1.00 0.54 H new ATOM 0 HB2 LYS A 16 19.996 0.972 6.610 1.00 0.62 H new ATOM 0 HB3 LYS A 16 19.846 1.754 5.049 1.00 0.62 H new ATOM 0 HG2 LYS A 16 21.157 3.177 6.492 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.618 3.962 6.197 1.00 0.79 H new ATOM 0 HD2 LYS A 16 18.767 3.142 8.381 1.00 1.64 H new ATOM 0 HD3 LYS A 16 20.286 2.319 8.674 1.00 1.64 H new ATOM 0 HE2 LYS A 16 19.940 5.324 8.325 1.00 1.89 H new ATOM 0 HE3 LYS A 16 20.172 4.496 9.852 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 22.263 5.297 9.235 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 22.323 3.641 8.865 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 22.105 4.780 7.625 1.00 2.88 H new ATOM 144 N GLU A 17 17.309 2.537 4.018 1.00 0.42 N ATOM 145 CA GLU A 17 16.631 3.442 3.101 1.00 0.38 C ATOM 146 C GLU A 17 15.134 3.484 3.393 1.00 0.35 C ATOM 147 O GLU A 17 14.514 4.546 3.336 1.00 0.34 O ATOM 148 CB GLU A 17 16.890 3.036 1.648 1.00 0.35 C ATOM 149 CG GLU A 17 18.314 3.294 1.195 1.00 0.39 C ATOM 150 CD GLU A 17 18.812 4.679 1.578 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.189 5.686 1.171 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.837 4.769 2.284 1.00 0.54 O ATOM 0 H GLU A 17 17.743 1.731 3.568 1.00 0.42 H new ATOM 0 HA GLU A 17 17.035 4.444 3.250 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.665 1.976 1.529 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.206 3.582 0.999 1.00 0.35 H new ATOM 0 HG2 GLU A 17 18.971 2.543 1.632 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.373 3.178 0.113 1.00 0.39 H new ATOM 159 N LYS A 18 14.557 2.334 3.729 1.00 0.34 N ATOM 160 CA LYS A 18 13.149 2.276 4.102 1.00 0.34 C ATOM 161 C LYS A 18 12.900 3.123 5.346 1.00 0.40 C ATOM 162 O LYS A 18 11.903 3.830 5.437 1.00 0.41 O ATOM 163 CB LYS A 18 12.696 0.832 4.348 1.00 0.34 C ATOM 164 CG LYS A 18 11.213 0.718 4.675 1.00 0.33 C ATOM 165 CD LYS A 18 10.829 -0.668 5.177 1.00 0.36 C ATOM 166 CE LYS A 18 11.456 -0.978 6.529 1.00 0.50 C ATOM 167 NZ LYS A 18 10.991 -0.046 7.592 1.00 0.80 N ATOM 0 H LYS A 18 15.040 1.436 3.750 1.00 0.34 H new ATOM 0 HA LYS A 18 12.565 2.675 3.273 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.914 0.234 3.463 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.276 0.410 5.169 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.953 1.459 5.431 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.629 0.953 3.785 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.744 -0.737 5.256 1.00 0.36 H new ATOM 0 HD3 LYS A 18 11.144 -1.417 4.451 1.00 0.36 H new ATOM 0 HE2 LYS A 18 11.213 -2.002 6.814 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.541 -0.919 6.446 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 11.247 -0.428 8.525 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 11.442 0.882 7.462 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 9.958 0.060 7.533 1.00 0.80 H new ATOM 181 N GLU A 19 13.826 3.061 6.293 1.00 0.46 N ATOM 182 CA GLU A 19 13.723 3.825 7.530 1.00 0.52 C ATOM 183 C GLU A 19 14.005 5.299 7.299 1.00 0.50 C ATOM 184 O GLU A 19 13.390 6.154 7.923 1.00 0.53 O ATOM 185 CB GLU A 19 14.678 3.257 8.572 1.00 0.58 C ATOM 186 CG GLU A 19 14.291 1.859 9.016 1.00 0.63 C ATOM 187 CD GLU A 19 15.265 1.258 10.002 1.00 1.32 C ATOM 188 OE1 GLU A 19 15.699 1.969 10.932 1.00 1.29 O ATOM 189 OE2 GLU A 19 15.594 0.064 9.860 1.00 2.32 O ATOM 0 H GLU A 19 14.665 2.484 6.227 1.00 0.46 H new ATOM 0 HA GLU A 19 12.700 3.740 7.897 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.688 3.238 8.162 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.699 3.917 9.439 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.299 1.889 9.467 1.00 0.63 H new ATOM 0 HG3 GLU A 19 14.224 1.212 8.141 1.00 0.63 H new ATOM 196 N LEU A 20 14.934 5.595 6.408 1.00 0.47 N ATOM 197 CA LEU A 20 15.229 6.975 6.051 1.00 0.46 C ATOM 198 C LEU A 20 14.032 7.603 5.347 1.00 0.43 C ATOM 199 O LEU A 20 13.708 8.774 5.565 1.00 0.45 O ATOM 200 CB LEU A 20 16.468 7.034 5.156 1.00 0.45 C ATOM 201 CG LEU A 20 17.740 7.572 5.813 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.545 9.016 6.236 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.140 6.715 7.003 1.00 0.60 C ATOM 0 H LEU A 20 15.498 4.901 5.918 1.00 0.47 H new ATOM 0 HA LEU A 20 15.431 7.540 6.961 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.671 6.030 4.783 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.238 7.655 4.290 1.00 0.45 H new ATOM 0 HG LEU A 20 18.547 7.530 5.081 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.459 9.385 6.702 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.313 9.623 5.361 1.00 0.58 H new ATOM 0 HD13 LEU A 20 16.723 9.078 6.949 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.047 7.118 7.453 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.337 6.718 7.740 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.323 5.693 6.670 1.00 0.60 H new ATOM 215 N GLY A 21 13.382 6.814 4.501 1.00 0.39 N ATOM 216 CA GLY A 21 12.162 7.254 3.856 1.00 0.37 C ATOM 217 C GLY A 21 11.026 7.367 4.846 1.00 0.40 C ATOM 218 O GLY A 21 10.344 8.380 4.892 1.00 0.41 O ATOM 0 H GLY A 21 13.681 5.872 4.250 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.329 8.220 3.379 1.00 0.37 H new ATOM 0 HA3 GLY A 21 11.891 6.552 3.068 1.00 0.37 H new ATOM 222 N ASN A 22 10.842 6.330 5.650 1.00 0.43 N ATOM 223 CA ASN A 22 9.809 6.321 6.687 1.00 0.47 C ATOM 224 C ASN A 22 9.994 7.487 7.655 1.00 0.53 C ATOM 225 O ASN A 22 9.028 8.085 8.122 1.00 0.56 O ATOM 226 CB ASN A 22 9.860 5.001 7.465 1.00 0.52 C ATOM 227 CG ASN A 22 8.729 4.847 8.466 1.00 0.59 C ATOM 228 OD1 ASN A 22 8.918 4.281 9.546 1.00 1.27 O ATOM 229 ND2 ASN A 22 7.543 5.312 8.108 1.00 1.23 N ATOM 0 H ASN A 22 11.397 5.475 5.607 1.00 0.43 H new ATOM 0 HA ASN A 22 8.840 6.424 6.199 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.827 4.171 6.760 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.812 4.934 7.991 1.00 0.52 H new ATOM 0 HD21 ASN A 22 6.744 5.208 8.734 1.00 1.23 H new ATOM 0 HD22 ASN A 22 7.427 5.774 7.206 1.00 1.23 H new ATOM 236 N ASP A 23 11.244 7.793 7.952 1.00 0.54 N ATOM 237 CA ASP A 23 11.586 8.901 8.833 1.00 0.59 C ATOM 238 C ASP A 23 11.119 10.221 8.235 1.00 0.58 C ATOM 239 O ASP A 23 10.456 11.020 8.896 1.00 0.62 O ATOM 240 CB ASP A 23 13.097 8.935 9.036 1.00 0.61 C ATOM 241 CG ASP A 23 13.528 9.974 10.048 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.210 9.802 11.243 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.188 10.960 9.658 1.00 0.79 O ATOM 0 H ASP A 23 12.051 7.283 7.592 1.00 0.54 H new ATOM 0 HA ASP A 23 11.088 8.759 9.792 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.438 7.953 9.363 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.583 9.140 8.082 1.00 0.61 H new ATOM 248 N ALA A 24 11.460 10.431 6.970 1.00 0.53 N ATOM 249 CA ALA A 24 11.026 11.610 6.236 1.00 0.53 C ATOM 250 C ALA A 24 9.509 11.601 6.080 1.00 0.53 C ATOM 251 O ALA A 24 8.863 12.645 6.084 1.00 0.58 O ATOM 252 CB ALA A 24 11.714 11.652 4.883 1.00 0.49 C ATOM 0 H ALA A 24 12.042 9.792 6.428 1.00 0.53 H new ATOM 0 HA ALA A 24 11.303 12.506 6.792 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.387 12.536 4.336 1.00 0.49 H new ATOM 0 HB2 ALA A 24 12.794 11.692 5.025 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.456 10.758 4.316 1.00 0.49 H new ATOM 258 N TYR A 25 8.959 10.399 5.964 1.00 0.48 N ATOM 259 CA TYR A 25 7.518 10.186 5.884 1.00 0.49 C ATOM 260 C TYR A 25 6.835 10.749 7.128 1.00 0.59 C ATOM 261 O TYR A 25 5.787 11.388 7.047 1.00 0.63 O ATOM 262 CB TYR A 25 7.248 8.682 5.755 1.00 0.46 C ATOM 263 CG TYR A 25 5.813 8.306 5.486 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.297 8.303 4.195 1.00 0.40 C ATOM 265 CD2 TYR A 25 4.966 7.984 6.531 1.00 0.64 C ATOM 266 CE1 TYR A 25 3.973 7.977 3.960 1.00 0.45 C ATOM 267 CE2 TYR A 25 3.644 7.661 6.308 1.00 0.68 C ATOM 268 CZ TYR A 25 3.185 7.571 4.957 1.00 0.54 C ATOM 269 OH TYR A 25 1.830 7.338 4.796 1.00 0.63 O ATOM 0 H TYR A 25 9.504 9.538 5.922 1.00 0.48 H new ATOM 0 HA TYR A 25 7.114 10.703 5.013 1.00 0.49 H new ATOM 0 HB2 TYR A 25 7.867 8.286 4.950 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.569 8.192 6.674 1.00 0.46 H new ATOM 0 HD1 TYR A 25 5.938 8.559 3.364 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.347 7.986 7.541 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.573 8.052 2.959 1.00 0.45 H new ATOM 0 HE2 TYR A 25 2.972 7.480 7.134 1.00 0.68 H new ATOM 0 HH TYR A 25 1.613 7.314 3.841 1.00 0.63 H new ATOM 279 N LYS A 26 7.459 10.519 8.272 1.00 0.65 N ATOM 280 CA LYS A 26 6.953 11.001 9.551 1.00 0.77 C ATOM 281 C LYS A 26 7.205 12.497 9.708 1.00 0.81 C ATOM 282 O LYS A 26 6.541 13.171 10.494 1.00 0.94 O ATOM 283 CB LYS A 26 7.624 10.231 10.688 1.00 0.82 C ATOM 284 CG LYS A 26 7.316 8.745 10.670 1.00 0.86 C ATOM 285 CD LYS A 26 8.135 7.993 11.702 1.00 1.03 C ATOM 286 CE LYS A 26 7.961 6.493 11.554 1.00 0.90 C ATOM 287 NZ LYS A 26 8.796 5.735 12.521 1.00 1.62 N ATOM 0 H LYS A 26 8.330 9.993 8.342 1.00 0.65 H new ATOM 0 HA LYS A 26 5.876 10.835 9.586 1.00 0.77 H new ATOM 0 HB2 LYS A 26 8.703 10.372 10.626 1.00 0.82 H new ATOM 0 HB3 LYS A 26 7.302 10.650 11.641 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.255 8.590 10.864 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.521 8.342 9.678 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.188 8.252 11.593 1.00 1.03 H new ATOM 0 HD3 LYS A 26 7.833 8.300 12.703 1.00 1.03 H new ATOM 0 HE2 LYS A 26 6.912 6.234 11.700 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.224 6.197 10.539 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 8.646 4.715 12.384 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 9.799 5.961 12.365 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 8.528 5.997 13.491 1.00 1.62 H new ATOM 301 N LYS A 27 8.160 13.007 8.944 1.00 0.75 N ATOM 302 CA LYS A 27 8.543 14.412 9.008 1.00 0.80 C ATOM 303 C LYS A 27 7.784 15.221 7.950 1.00 0.79 C ATOM 304 O LYS A 27 8.015 16.423 7.779 1.00 0.84 O ATOM 305 CB LYS A 27 10.059 14.524 8.797 1.00 0.80 C ATOM 306 CG LYS A 27 10.643 15.889 9.120 1.00 1.16 C ATOM 307 CD LYS A 27 12.144 15.931 8.861 1.00 1.58 C ATOM 308 CE LYS A 27 12.898 14.940 9.740 1.00 1.93 C ATOM 309 NZ LYS A 27 14.365 14.996 9.512 1.00 2.31 N ATOM 0 H LYS A 27 8.690 12.462 8.264 1.00 0.75 H new ATOM 0 HA LYS A 27 8.285 14.819 9.986 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.555 13.776 9.415 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.287 14.282 7.759 1.00 0.80 H new ATOM 0 HG2 LYS A 27 10.147 16.650 8.517 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.446 16.132 10.164 1.00 1.16 H new ATOM 0 HD2 LYS A 27 12.338 15.707 7.812 1.00 1.58 H new ATOM 0 HD3 LYS A 27 12.517 16.938 9.047 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.686 15.151 10.788 1.00 1.93 H new ATOM 0 HE3 LYS A 27 12.538 13.931 9.539 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 14.839 14.306 10.130 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 14.571 14.769 8.518 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 14.714 15.952 9.728 1.00 2.31 H new ATOM 323 N LYS A 28 6.866 14.543 7.253 1.00 0.77 N ATOM 324 CA LYS A 28 6.081 15.135 6.165 1.00 0.80 C ATOM 325 C LYS A 28 6.964 15.549 4.993 1.00 0.71 C ATOM 326 O LYS A 28 6.554 16.317 4.123 1.00 0.75 O ATOM 327 CB LYS A 28 5.253 16.310 6.670 1.00 0.96 C ATOM 328 CG LYS A 28 4.189 15.892 7.669 1.00 1.07 C ATOM 329 CD LYS A 28 3.500 17.091 8.293 1.00 1.24 C ATOM 330 CE LYS A 28 2.684 17.876 7.276 1.00 1.77 C ATOM 331 NZ LYS A 28 1.590 17.059 6.685 1.00 2.39 N ATOM 0 H LYS A 28 6.646 13.563 7.429 1.00 0.77 H new ATOM 0 HA LYS A 28 5.397 14.369 5.800 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.914 17.042 7.135 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.776 16.804 5.823 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.449 15.266 7.171 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.644 15.286 8.452 1.00 1.07 H new ATOM 0 HD2 LYS A 28 2.848 16.755 9.099 1.00 1.24 H new ATOM 0 HD3 LYS A 28 4.248 17.746 8.740 1.00 1.24 H new ATOM 0 HE2 LYS A 28 2.259 18.757 7.756 1.00 1.77 H new ATOM 0 HE3 LYS A 28 3.340 18.231 6.482 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 0.922 17.681 6.187 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 1.992 16.374 6.013 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 1.090 16.549 7.441 1.00 2.39 H new ATOM 345 N ASP A 29 8.169 15.013 4.969 1.00 0.64 N ATOM 346 CA ASP A 29 9.065 15.179 3.845 1.00 0.59 C ATOM 347 C ASP A 29 8.821 14.055 2.856 1.00 0.50 C ATOM 348 O ASP A 29 9.696 13.236 2.604 1.00 0.47 O ATOM 349 CB ASP A 29 10.518 15.172 4.314 1.00 0.60 C ATOM 350 CG ASP A 29 11.090 16.567 4.450 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.072 17.324 3.459 1.00 1.62 O ATOM 352 OD2 ASP A 29 11.545 16.919 5.560 1.00 1.39 O ATOM 0 H ASP A 29 8.553 14.451 5.729 1.00 0.64 H new ATOM 0 HA ASP A 29 8.874 16.138 3.363 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.584 14.661 5.274 1.00 0.60 H new ATOM 0 HB3 ASP A 29 11.122 14.603 3.607 1.00 0.60 H new ATOM 357 N PHE A 30 7.618 14.035 2.296 1.00 0.49 N ATOM 358 CA PHE A 30 7.146 12.905 1.504 1.00 0.44 C ATOM 359 C PHE A 30 7.958 12.696 0.230 1.00 0.42 C ATOM 360 O PHE A 30 8.169 11.559 -0.185 1.00 0.43 O ATOM 361 CB PHE A 30 5.655 13.057 1.204 1.00 0.45 C ATOM 362 CG PHE A 30 4.818 12.907 2.443 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.569 11.662 2.995 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.254 14.021 3.038 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.774 11.533 4.117 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.461 13.898 4.162 1.00 0.71 C ATOM 367 CZ PHE A 30 3.324 12.606 4.767 1.00 0.66 C ATOM 0 H PHE A 30 6.945 14.797 2.377 1.00 0.49 H new ATOM 0 HA PHE A 30 7.292 12.005 2.101 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.472 14.035 0.758 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.354 12.310 0.469 1.00 0.45 H new ATOM 0 HD1 PHE A 30 5.001 10.782 2.543 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.436 14.999 2.618 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.513 10.547 4.473 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.955 14.757 4.576 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.862 12.503 5.738 1.00 0.66 H new ATOM 377 N ASP A 31 8.437 13.769 -0.380 1.00 0.46 N ATOM 378 CA ASP A 31 9.295 13.632 -1.556 1.00 0.48 C ATOM 379 C ASP A 31 10.586 12.931 -1.167 1.00 0.44 C ATOM 380 O ASP A 31 11.053 12.027 -1.857 1.00 0.42 O ATOM 381 CB ASP A 31 9.624 14.989 -2.181 1.00 0.57 C ATOM 382 CG ASP A 31 8.407 15.682 -2.766 1.00 1.30 C ATOM 383 OD1 ASP A 31 7.696 16.382 -2.011 1.00 1.61 O ATOM 384 OD2 ASP A 31 8.167 15.548 -3.987 1.00 1.93 O ATOM 0 H ASP A 31 8.253 14.730 -0.090 1.00 0.46 H new ATOM 0 HA ASP A 31 8.753 13.043 -2.295 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.073 15.632 -1.424 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.369 14.851 -2.965 1.00 0.57 H new ATOM 389 N THR A 32 11.143 13.346 -0.039 1.00 0.45 N ATOM 390 CA THR A 32 12.353 12.743 0.498 1.00 0.45 C ATOM 391 C THR A 32 12.066 11.328 1.009 1.00 0.39 C ATOM 392 O THR A 32 12.898 10.426 0.887 1.00 0.38 O ATOM 393 CB THR A 32 12.913 13.611 1.641 1.00 0.50 C ATOM 394 OG1 THR A 32 13.156 14.942 1.167 1.00 0.57 O ATOM 395 CG2 THR A 32 14.195 13.030 2.203 1.00 0.52 C ATOM 0 H THR A 32 10.770 14.108 0.528 1.00 0.45 H new ATOM 0 HA THR A 32 13.093 12.682 -0.300 1.00 0.45 H new ATOM 0 HB THR A 32 12.171 13.632 2.439 1.00 0.50 H new ATOM 0 HG1 THR A 32 13.510 15.490 1.898 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.562 13.668 3.007 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.001 12.030 2.592 1.00 0.52 H new ATOM 0 HG23 THR A 32 14.945 12.973 1.414 1.00 0.52 H new ATOM 403 N ALA A 33 10.879 11.143 1.571 1.00 0.38 N ATOM 404 CA ALA A 33 10.436 9.836 2.034 1.00 0.36 C ATOM 405 C ALA A 33 10.409 8.853 0.883 1.00 0.30 C ATOM 406 O ALA A 33 11.038 7.794 0.935 1.00 0.28 O ATOM 407 CB ALA A 33 9.060 9.934 2.668 1.00 0.39 C ATOM 0 H ALA A 33 10.200 11.890 1.718 1.00 0.38 H new ATOM 0 HA ALA A 33 11.141 9.480 2.785 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.745 8.948 3.008 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.099 10.616 3.518 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.347 10.309 1.934 1.00 0.39 H new ATOM 413 N LEU A 34 9.697 9.231 -0.166 1.00 0.29 N ATOM 414 CA LEU A 34 9.570 8.406 -1.348 1.00 0.26 C ATOM 415 C LEU A 34 10.933 8.207 -1.995 1.00 0.26 C ATOM 416 O LEU A 34 11.201 7.177 -2.596 1.00 0.26 O ATOM 417 CB LEU A 34 8.601 9.060 -2.331 1.00 0.28 C ATOM 418 CG LEU A 34 7.948 8.120 -3.340 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.575 8.267 -4.713 1.00 0.81 C ATOM 420 CD2 LEU A 34 8.038 6.681 -2.873 1.00 0.53 C ATOM 0 H LEU A 34 9.193 10.116 -0.219 1.00 0.29 H new ATOM 0 HA LEU A 34 9.177 7.430 -1.065 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.815 9.556 -1.762 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.136 9.836 -2.878 1.00 0.28 H new ATOM 0 HG LEU A 34 6.896 8.396 -3.415 1.00 0.33 H new ATOM 0 HD11 LEU A 34 8.089 7.585 -5.410 1.00 0.81 H new ATOM 0 HD12 LEU A 34 8.450 9.292 -5.062 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.637 8.030 -4.655 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.566 6.030 -3.608 1.00 0.53 H new ATOM 0 HD22 LEU A 34 9.085 6.400 -2.759 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.528 6.577 -1.915 1.00 0.53 H new ATOM 432 N LYS A 35 11.791 9.202 -1.842 1.00 0.31 N ATOM 433 CA LYS A 35 13.136 9.158 -2.390 1.00 0.33 C ATOM 434 C LYS A 35 13.917 7.980 -1.809 1.00 0.29 C ATOM 435 O LYS A 35 14.528 7.207 -2.546 1.00 0.30 O ATOM 436 CB LYS A 35 13.855 10.472 -2.074 1.00 0.40 C ATOM 437 CG LYS A 35 14.777 10.967 -3.170 1.00 0.49 C ATOM 438 CD LYS A 35 14.002 11.521 -4.359 1.00 0.53 C ATOM 439 CE LYS A 35 13.249 12.800 -4.001 1.00 0.60 C ATOM 440 NZ LYS A 35 12.674 13.458 -5.203 1.00 1.41 N ATOM 0 H LYS A 35 11.575 10.061 -1.336 1.00 0.31 H new ATOM 0 HA LYS A 35 13.074 9.026 -3.470 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.108 11.240 -1.871 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.435 10.343 -1.160 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.432 11.742 -2.771 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.417 10.149 -3.503 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.691 11.723 -5.179 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.295 10.771 -4.713 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.450 12.566 -3.298 1.00 0.60 H new ATOM 0 HE3 LYS A 35 13.925 13.491 -3.497 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 12.171 14.322 -4.918 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 13.439 13.704 -5.863 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 12.009 12.808 -5.670 1.00 1.41 H new ATOM 454 N HIS A 36 13.879 7.831 -0.487 1.00 0.29 N ATOM 455 CA HIS A 36 14.600 6.741 0.172 1.00 0.29 C ATOM 456 C HIS A 36 13.834 5.438 0.051 1.00 0.25 C ATOM 457 O HIS A 36 14.429 4.374 -0.074 1.00 0.27 O ATOM 458 CB HIS A 36 14.844 7.028 1.646 1.00 0.38 C ATOM 459 CG HIS A 36 15.737 8.189 1.906 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.106 8.131 1.780 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.446 9.443 2.304 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.622 9.306 2.087 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.634 10.122 2.410 1.00 0.46 N ATOM 0 H HIS A 36 13.363 8.443 0.145 1.00 0.29 H new ATOM 0 HA HIS A 36 15.563 6.656 -0.332 1.00 0.29 H new ATOM 0 HB2 HIS A 36 13.885 7.207 2.133 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.277 6.141 2.110 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.638 7.309 1.494 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.461 9.840 2.503 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.672 9.558 2.076 1.00 0.47 H new ATOM 472 N TYR A 37 12.515 5.521 0.109 1.00 0.22 N ATOM 473 CA TYR A 37 11.677 4.346 -0.073 1.00 0.21 C ATOM 474 C TYR A 37 11.929 3.722 -1.444 1.00 0.21 C ATOM 475 O TYR A 37 12.108 2.511 -1.569 1.00 0.24 O ATOM 476 CB TYR A 37 10.203 4.714 0.063 1.00 0.22 C ATOM 477 CG TYR A 37 9.646 4.635 1.467 1.00 0.23 C ATOM 478 CD1 TYR A 37 9.849 3.512 2.258 1.00 0.33 C ATOM 479 CD2 TYR A 37 8.871 5.664 1.982 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.299 3.423 3.520 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.306 5.575 3.236 1.00 0.41 C ATOM 482 CZ TYR A 37 8.524 4.453 4.001 1.00 0.36 C ATOM 483 OH TYR A 37 7.946 4.352 5.243 1.00 0.48 O ATOM 0 H TYR A 37 12.002 6.386 0.280 1.00 0.22 H new ATOM 0 HA TYR A 37 11.932 3.621 0.700 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.063 5.729 -0.310 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.620 4.055 -0.580 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.447 2.696 1.880 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.707 6.552 1.389 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.476 2.548 4.128 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.696 6.381 3.616 1.00 0.41 H new ATOM 0 HH TYR A 37 7.304 3.611 5.246 1.00 0.48 H new ATOM 493 N ASP A 38 11.953 4.568 -2.466 1.00 0.25 N ATOM 494 CA ASP A 38 12.223 4.130 -3.832 1.00 0.31 C ATOM 495 C ASP A 38 13.665 3.664 -3.957 1.00 0.30 C ATOM 496 O ASP A 38 13.977 2.749 -4.720 1.00 0.32 O ATOM 497 CB ASP A 38 11.938 5.272 -4.804 1.00 0.42 C ATOM 498 CG ASP A 38 12.068 4.865 -6.261 1.00 0.78 C ATOM 499 OD1 ASP A 38 11.092 4.343 -6.835 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.166 5.042 -6.837 1.00 1.51 O ATOM 0 H ASP A 38 11.787 5.570 -2.374 1.00 0.25 H new ATOM 0 HA ASP A 38 11.571 3.292 -4.077 1.00 0.31 H new ATOM 0 HB2 ASP A 38 10.930 5.648 -4.627 1.00 0.42 H new ATOM 0 HB3 ASP A 38 12.625 6.094 -4.600 1.00 0.42 H new ATOM 505 N LYS A 39 14.534 4.305 -3.189 1.00 0.30 N ATOM 506 CA LYS A 39 15.928 3.890 -3.080 1.00 0.32 C ATOM 507 C LYS A 39 16.008 2.475 -2.515 1.00 0.29 C ATOM 508 O LYS A 39 16.758 1.640 -3.010 1.00 0.32 O ATOM 509 CB LYS A 39 16.702 4.853 -2.175 1.00 0.35 C ATOM 510 CG LYS A 39 18.182 4.534 -2.062 1.00 0.41 C ATOM 511 CD LYS A 39 18.910 4.795 -3.366 1.00 0.47 C ATOM 512 CE LYS A 39 20.384 4.451 -3.258 1.00 0.54 C ATOM 513 NZ LYS A 39 21.106 5.343 -2.310 1.00 1.25 N ATOM 0 H LYS A 39 14.297 5.122 -2.627 1.00 0.30 H new ATOM 0 HA LYS A 39 16.374 3.906 -4.074 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.587 5.867 -2.557 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.259 4.836 -1.179 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.625 5.137 -1.270 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.309 3.490 -1.776 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.455 4.206 -4.162 1.00 0.47 H new ATOM 0 HD3 LYS A 39 18.799 5.844 -3.642 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.490 3.416 -2.932 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.845 4.523 -4.243 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.129 5.172 -2.383 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.903 6.336 -2.545 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 20.790 5.146 -1.339 1.00 1.25 H new ATOM 527 N ALA A 40 15.216 2.215 -1.483 1.00 0.25 N ATOM 528 CA ALA A 40 15.150 0.896 -0.868 1.00 0.24 C ATOM 529 C ALA A 40 14.634 -0.133 -1.863 1.00 0.22 C ATOM 530 O ALA A 40 15.058 -1.282 -1.847 1.00 0.26 O ATOM 531 CB ALA A 40 14.270 0.938 0.374 1.00 0.22 C ATOM 0 H ALA A 40 14.605 2.908 -1.051 1.00 0.25 H new ATOM 0 HA ALA A 40 16.155 0.600 -0.568 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.229 -0.054 0.824 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.686 1.645 1.091 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.264 1.253 0.097 1.00 0.22 H new ATOM 537 N LYS A 41 13.725 0.290 -2.731 1.00 0.23 N ATOM 538 CA LYS A 41 13.221 -0.569 -3.799 1.00 0.26 C ATOM 539 C LYS A 41 14.309 -0.818 -4.840 1.00 0.31 C ATOM 540 O LYS A 41 14.324 -1.847 -5.512 1.00 0.37 O ATOM 541 CB LYS A 41 12.000 0.071 -4.457 1.00 0.29 C ATOM 542 CG LYS A 41 11.434 -0.718 -5.625 1.00 0.41 C ATOM 543 CD LYS A 41 10.216 -0.024 -6.207 1.00 0.78 C ATOM 544 CE LYS A 41 9.604 -0.813 -7.348 1.00 0.89 C ATOM 545 NZ LYS A 41 10.465 -0.808 -8.562 1.00 1.37 N ATOM 0 H LYS A 41 13.319 1.226 -2.718 1.00 0.23 H new ATOM 0 HA LYS A 41 12.928 -1.526 -3.367 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.220 0.195 -3.706 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.270 1.068 -4.804 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.196 -0.831 -6.396 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.163 -1.721 -5.295 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.471 0.118 -5.424 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.499 0.967 -6.562 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.437 -1.841 -7.028 1.00 0.89 H new ATOM 0 HE3 LYS A 41 8.629 -0.394 -7.595 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 9.984 -1.316 -9.331 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 10.646 0.173 -8.855 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.368 -1.278 -8.349 1.00 1.37 H new ATOM 559 N GLU A 42 15.215 0.137 -4.977 1.00 0.32 N ATOM 560 CA GLU A 42 16.333 -0.007 -5.891 1.00 0.38 C ATOM 561 C GLU A 42 17.345 -0.973 -5.283 1.00 0.40 C ATOM 562 O GLU A 42 17.880 -1.845 -5.966 1.00 0.50 O ATOM 563 CB GLU A 42 16.962 1.365 -6.172 1.00 0.43 C ATOM 564 CG GLU A 42 17.731 1.447 -7.484 1.00 1.11 C ATOM 565 CD GLU A 42 19.149 0.928 -7.385 1.00 1.81 C ATOM 566 OE1 GLU A 42 20.027 1.683 -6.915 1.00 2.03 O ATOM 567 OE2 GLU A 42 19.395 -0.230 -7.783 1.00 2.78 O ATOM 0 H GLU A 42 15.197 1.020 -4.466 1.00 0.32 H new ATOM 0 HA GLU A 42 15.992 -0.412 -6.844 1.00 0.38 H new ATOM 0 HB2 GLU A 42 16.174 2.118 -6.179 1.00 0.43 H new ATOM 0 HB3 GLU A 42 17.636 1.617 -5.353 1.00 0.43 H new ATOM 0 HG2 GLU A 42 17.197 0.879 -8.245 1.00 1.11 H new ATOM 0 HG3 GLU A 42 17.754 2.484 -7.818 1.00 1.11 H new ATOM 574 N LEU A 43 17.562 -0.830 -3.980 1.00 0.36 N ATOM 575 CA LEU A 43 18.452 -1.717 -3.242 1.00 0.39 C ATOM 576 C LEU A 43 17.892 -3.132 -3.204 1.00 0.39 C ATOM 577 O LEU A 43 18.593 -4.090 -3.528 1.00 0.49 O ATOM 578 CB LEU A 43 18.695 -1.194 -1.826 1.00 0.39 C ATOM 579 CG LEU A 43 19.858 -0.211 -1.706 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.686 0.913 -2.686 1.00 0.42 C ATOM 581 CD2 LEU A 43 19.948 0.349 -0.309 1.00 0.45 C ATOM 0 H LEU A 43 17.130 -0.103 -3.410 1.00 0.36 H new ATOM 0 HA LEU A 43 19.410 -1.742 -3.762 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.786 -0.708 -1.471 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.882 -2.041 -1.166 1.00 0.39 H new ATOM 0 HG LEU A 43 20.780 -0.749 -1.926 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.520 1.608 -2.592 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.660 0.512 -3.699 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.753 1.436 -2.479 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.784 1.046 -0.250 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.022 0.871 -0.066 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.103 -0.464 0.400 1.00 0.45 H new ATOM 593 N ASP A 44 16.630 -3.264 -2.820 1.00 0.32 N ATOM 594 CA ASP A 44 15.973 -4.556 -2.867 1.00 0.33 C ATOM 595 C ASP A 44 14.531 -4.442 -3.352 1.00 0.32 C ATOM 596 O ASP A 44 13.625 -4.099 -2.595 1.00 0.33 O ATOM 597 CB ASP A 44 16.026 -5.274 -1.524 1.00 0.40 C ATOM 598 CG ASP A 44 15.347 -6.633 -1.579 1.00 0.46 C ATOM 599 OD1 ASP A 44 15.269 -7.220 -2.675 1.00 0.52 O ATOM 600 OD2 ASP A 44 14.884 -7.119 -0.521 1.00 1.11 O ATOM 0 H ASP A 44 16.049 -2.500 -2.477 1.00 0.32 H new ATOM 0 HA ASP A 44 16.527 -5.155 -3.589 1.00 0.33 H new ATOM 0 HB2 ASP A 44 17.065 -5.400 -1.221 1.00 0.40 H new ATOM 0 HB3 ASP A 44 15.544 -4.658 -0.764 1.00 0.40 H new ATOM 605 N PRO A 45 14.316 -4.748 -4.636 1.00 0.41 N ATOM 606 CA PRO A 45 12.999 -4.686 -5.268 1.00 0.49 C ATOM 607 C PRO A 45 12.116 -5.886 -4.936 1.00 0.47 C ATOM 608 O PRO A 45 10.909 -5.859 -5.179 1.00 0.59 O ATOM 609 CB PRO A 45 13.339 -4.683 -6.755 1.00 0.64 C ATOM 610 CG PRO A 45 14.594 -5.476 -6.836 1.00 0.63 C ATOM 611 CD PRO A 45 15.359 -5.162 -5.586 1.00 0.52 C ATOM 0 HA PRO A 45 12.429 -3.821 -4.928 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.543 -5.133 -7.348 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.482 -3.670 -7.130 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.379 -6.542 -6.905 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.168 -5.209 -7.723 1.00 0.63 H new ATOM 0 HD2 PRO A 45 15.909 -6.031 -5.224 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.088 -4.369 -5.751 1.00 0.52 H new ATOM 619 N THR A 46 12.714 -6.941 -4.392 1.00 0.39 N ATOM 620 CA THR A 46 11.961 -8.146 -4.080 1.00 0.40 C ATOM 621 C THR A 46 11.318 -8.036 -2.702 1.00 0.40 C ATOM 622 O THR A 46 10.486 -8.860 -2.314 1.00 0.42 O ATOM 623 CB THR A 46 12.831 -9.417 -4.164 1.00 0.42 C ATOM 624 OG1 THR A 46 13.922 -9.363 -3.231 1.00 0.45 O ATOM 625 CG2 THR A 46 13.375 -9.600 -5.572 1.00 0.46 C ATOM 0 H THR A 46 13.707 -6.985 -4.161 1.00 0.39 H new ATOM 0 HA THR A 46 11.178 -8.237 -4.833 1.00 0.40 H new ATOM 0 HB THR A 46 12.197 -10.266 -3.910 1.00 0.42 H new ATOM 0 HG1 THR A 46 14.064 -8.436 -2.947 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.986 -10.502 -5.612 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.546 -9.693 -6.273 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.984 -8.737 -5.842 1.00 0.46 H new ATOM 633 N ASN A 47 11.706 -7.004 -1.967 1.00 0.52 N ATOM 634 CA ASN A 47 11.092 -6.714 -0.684 1.00 0.56 C ATOM 635 C ASN A 47 9.890 -5.818 -0.900 1.00 0.56 C ATOM 636 O ASN A 47 10.003 -4.589 -0.898 1.00 0.89 O ATOM 637 CB ASN A 47 12.087 -6.049 0.257 1.00 0.78 C ATOM 638 CG ASN A 47 11.590 -5.992 1.687 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.765 -6.935 2.454 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.978 -4.882 2.062 1.00 1.47 N ATOM 0 H ASN A 47 12.444 -6.354 -2.239 1.00 0.52 H new ATOM 0 HA ASN A 47 10.773 -7.649 -0.223 1.00 0.56 H new ATOM 0 HB2 ASN A 47 13.030 -6.594 0.226 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.292 -5.037 -0.093 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.633 -4.788 3.017 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.851 -4.120 1.396 1.00 1.47 H new ATOM 647 N MET A 48 8.740 -6.452 -1.085 1.00 0.29 N ATOM 648 CA MET A 48 7.505 -5.755 -1.420 1.00 0.26 C ATOM 649 C MET A 48 7.178 -4.662 -0.404 1.00 0.24 C ATOM 650 O MET A 48 6.499 -3.689 -0.723 1.00 0.24 O ATOM 651 CB MET A 48 6.344 -6.743 -1.490 1.00 0.22 C ATOM 652 CG MET A 48 5.838 -7.196 -0.130 1.00 0.19 C ATOM 653 SD MET A 48 4.305 -8.125 -0.240 1.00 1.05 S ATOM 654 CE MET A 48 3.225 -6.902 -0.981 1.00 0.27 C ATOM 0 H MET A 48 8.637 -7.464 -1.007 1.00 0.29 H new ATOM 0 HA MET A 48 7.651 -5.285 -2.393 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.521 -6.284 -2.038 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.658 -7.618 -2.060 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.598 -7.812 0.350 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.686 -6.324 0.506 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.368 -6.731 -0.329 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.771 -5.968 -1.116 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.878 -7.262 -1.949 1.00 0.27 H new ATOM 664 N THR A 49 7.672 -4.834 0.817 1.00 0.24 N ATOM 665 CA THR A 49 7.399 -3.909 1.902 1.00 0.26 C ATOM 666 C THR A 49 7.907 -2.503 1.594 1.00 0.28 C ATOM 667 O THR A 49 7.323 -1.513 2.037 1.00 0.39 O ATOM 668 CB THR A 49 8.028 -4.420 3.206 1.00 0.29 C ATOM 669 OG1 THR A 49 7.572 -5.753 3.462 1.00 0.71 O ATOM 670 CG2 THR A 49 7.681 -3.516 4.378 1.00 0.64 C ATOM 0 H THR A 49 8.271 -5.617 1.078 1.00 0.24 H new ATOM 0 HA THR A 49 6.317 -3.852 2.018 1.00 0.26 H new ATOM 0 HB THR A 49 9.112 -4.416 3.092 1.00 0.29 H new ATOM 0 HG1 THR A 49 7.973 -6.082 4.293 1.00 0.71 H new ATOM 0 HG21 THR A 49 8.141 -3.905 5.286 1.00 0.64 H new ATOM 0 HG22 THR A 49 8.054 -2.510 4.184 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.599 -3.484 4.505 1.00 0.64 H new ATOM 678 N TYR A 50 8.977 -2.408 0.817 1.00 0.23 N ATOM 679 CA TYR A 50 9.505 -1.105 0.451 1.00 0.23 C ATOM 680 C TYR A 50 8.547 -0.430 -0.508 1.00 0.26 C ATOM 681 O TYR A 50 8.223 0.747 -0.370 1.00 0.42 O ATOM 682 CB TYR A 50 10.881 -1.218 -0.203 1.00 0.21 C ATOM 683 CG TYR A 50 11.917 -1.876 0.670 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.934 -1.649 2.035 1.00 0.28 C ATOM 685 CD2 TYR A 50 12.883 -2.718 0.132 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.883 -2.235 2.841 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.832 -3.312 0.934 1.00 0.31 C ATOM 688 CZ TYR A 50 13.824 -3.110 2.264 1.00 0.34 C ATOM 689 OH TYR A 50 14.786 -3.641 3.097 1.00 0.44 O ATOM 0 H TYR A 50 9.488 -3.204 0.434 1.00 0.23 H new ATOM 0 HA TYR A 50 9.612 -0.515 1.361 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.787 -1.785 -1.129 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.228 -0.220 -0.473 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.190 -1.001 2.475 1.00 0.28 H new ATOM 0 HD2 TYR A 50 12.890 -2.909 -0.931 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.906 -2.027 3.901 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.588 -3.944 0.492 1.00 0.31 H new ATOM 0 HH TYR A 50 15.281 -4.340 2.621 1.00 0.44 H new ATOM 699 N ILE A 51 8.065 -1.222 -1.450 1.00 0.18 N ATOM 700 CA ILE A 51 7.201 -0.744 -2.511 1.00 0.19 C ATOM 701 C ILE A 51 5.853 -0.277 -1.963 1.00 0.19 C ATOM 702 O ILE A 51 5.327 0.758 -2.372 1.00 0.22 O ATOM 703 CB ILE A 51 6.977 -1.854 -3.555 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.321 -2.373 -4.081 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.112 -1.344 -4.697 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.203 -3.625 -4.924 1.00 0.33 C ATOM 0 H ILE A 51 8.264 -2.221 -1.499 1.00 0.18 H new ATOM 0 HA ILE A 51 7.694 0.107 -2.982 1.00 0.19 H new ATOM 0 HB ILE A 51 6.455 -2.682 -3.075 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.796 -1.591 -4.673 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.978 -2.576 -3.235 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.964 -2.141 -5.425 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.146 -1.025 -4.307 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.606 -0.500 -5.178 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.193 -3.932 -5.260 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.758 -4.423 -4.330 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.573 -3.423 -5.790 1.00 0.33 H new ATOM 718 N THR A 52 5.307 -1.035 -1.023 1.00 0.20 N ATOM 719 CA THR A 52 4.015 -0.708 -0.434 1.00 0.24 C ATOM 720 C THR A 52 4.109 0.548 0.427 1.00 0.24 C ATOM 721 O THR A 52 3.131 1.283 0.587 1.00 0.27 O ATOM 722 CB THR A 52 3.486 -1.875 0.420 1.00 0.27 C ATOM 723 OG1 THR A 52 4.428 -2.196 1.451 1.00 0.28 O ATOM 724 CG2 THR A 52 3.243 -3.103 -0.430 1.00 0.26 C ATOM 0 H THR A 52 5.738 -1.881 -0.651 1.00 0.20 H new ATOM 0 HA THR A 52 3.321 -0.525 -1.254 1.00 0.24 H new ATOM 0 HB THR A 52 2.542 -1.563 0.866 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.274 -1.734 1.276 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.870 -3.912 0.198 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.507 -2.873 -1.200 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.177 -3.410 -0.901 1.00 0.26 H new ATOM 732 N ASN A 53 5.288 0.790 0.982 1.00 0.25 N ATOM 733 CA ASN A 53 5.522 1.983 1.782 1.00 0.27 C ATOM 734 C ASN A 53 5.815 3.176 0.883 1.00 0.24 C ATOM 735 O ASN A 53 5.473 4.311 1.213 1.00 0.27 O ATOM 736 CB ASN A 53 6.657 1.753 2.775 1.00 0.34 C ATOM 737 CG ASN A 53 6.171 1.133 4.072 1.00 0.81 C ATOM 738 OD1 ASN A 53 5.791 1.837 5.007 1.00 1.59 O ATOM 739 ND2 ASN A 53 6.182 -0.187 4.141 1.00 1.42 N ATOM 0 H ASN A 53 6.097 0.176 0.893 1.00 0.25 H new ATOM 0 HA ASN A 53 4.619 2.201 2.352 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.406 1.103 2.323 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.147 2.703 2.990 1.00 0.34 H new ATOM 0 HD21 ASN A 53 5.868 -0.656 4.991 1.00 1.42 H new ATOM 0 HD22 ASN A 53 6.504 -0.737 3.344 1.00 1.42 H new ATOM 746 N GLN A 54 6.449 2.910 -0.256 1.00 0.23 N ATOM 747 CA GLN A 54 6.574 3.906 -1.315 1.00 0.25 C ATOM 748 C GLN A 54 5.197 4.399 -1.707 1.00 0.25 C ATOM 749 O GLN A 54 4.934 5.598 -1.781 1.00 0.28 O ATOM 750 CB GLN A 54 7.219 3.296 -2.554 1.00 0.27 C ATOM 751 CG GLN A 54 8.704 3.062 -2.448 1.00 0.40 C ATOM 752 CD GLN A 54 9.220 2.252 -3.609 1.00 0.62 C ATOM 753 OE1 GLN A 54 9.302 1.033 -3.533 1.00 1.27 O ATOM 754 NE2 GLN A 54 9.538 2.920 -4.704 1.00 1.34 N ATOM 0 H GLN A 54 6.884 2.012 -0.469 1.00 0.23 H new ATOM 0 HA GLN A 54 7.191 4.723 -0.942 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.731 2.345 -2.769 1.00 0.27 H new ATOM 0 HB3 GLN A 54 7.029 3.951 -3.404 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.223 4.020 -2.412 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.926 2.544 -1.515 1.00 0.40 H new ATOM 0 HE21 GLN A 54 9.455 3.936 -4.724 1.00 1.34 H new ATOM 0 HE22 GLN A 54 9.867 2.419 -5.529 1.00 1.34 H new ATOM 763 N ALA A 55 4.329 3.432 -1.966 1.00 0.24 N ATOM 764 CA ALA A 55 2.954 3.686 -2.342 1.00 0.25 C ATOM 765 C ALA A 55 2.253 4.551 -1.300 1.00 0.26 C ATOM 766 O ALA A 55 1.483 5.451 -1.638 1.00 0.30 O ATOM 767 CB ALA A 55 2.239 2.359 -2.513 1.00 0.24 C ATOM 0 H ALA A 55 4.566 2.441 -1.919 1.00 0.24 H new ATOM 0 HA ALA A 55 2.933 4.234 -3.284 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.202 2.538 -2.796 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.733 1.777 -3.292 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.268 1.806 -1.574 1.00 0.24 H new ATOM 773 N ALA A 56 2.551 4.285 -0.032 1.00 0.26 N ATOM 774 CA ALA A 56 1.988 5.047 1.075 1.00 0.27 C ATOM 775 C ALA A 56 2.364 6.522 0.976 1.00 0.26 C ATOM 776 O ALA A 56 1.629 7.390 1.447 1.00 0.30 O ATOM 777 CB ALA A 56 2.455 4.476 2.405 1.00 0.29 C ATOM 0 H ALA A 56 3.186 3.540 0.255 1.00 0.26 H new ATOM 0 HA ALA A 56 0.902 4.968 1.017 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.025 5.057 3.221 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.132 3.438 2.489 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.543 4.523 2.459 1.00 0.29 H new ATOM 783 N VAL A 57 3.511 6.802 0.368 1.00 0.26 N ATOM 784 CA VAL A 57 3.925 8.177 0.152 1.00 0.27 C ATOM 785 C VAL A 57 3.060 8.823 -0.907 1.00 0.26 C ATOM 786 O VAL A 57 2.571 9.925 -0.720 1.00 0.30 O ATOM 787 CB VAL A 57 5.391 8.302 -0.286 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.765 9.767 -0.411 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.318 7.590 0.675 1.00 0.30 C ATOM 0 H VAL A 57 4.164 6.100 0.020 1.00 0.26 H new ATOM 0 HA VAL A 57 3.813 8.680 1.112 1.00 0.27 H new ATOM 0 HB VAL A 57 5.502 7.822 -1.258 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.806 9.851 -0.722 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.125 10.244 -1.153 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.633 10.260 0.552 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.348 7.699 0.335 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.216 8.026 1.669 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.059 6.532 0.714 1.00 0.30 H new ATOM 799 N TYR A 58 2.878 8.123 -2.021 1.00 0.25 N ATOM 800 CA TYR A 58 2.029 8.603 -3.106 1.00 0.27 C ATOM 801 C TYR A 58 0.630 8.904 -2.590 1.00 0.28 C ATOM 802 O TYR A 58 -0.001 9.870 -3.007 1.00 0.29 O ATOM 803 CB TYR A 58 1.976 7.572 -4.221 1.00 0.27 C ATOM 804 CG TYR A 58 3.263 7.482 -5.008 1.00 0.28 C ATOM 805 CD1 TYR A 58 4.280 6.627 -4.624 1.00 0.28 C ATOM 806 CD2 TYR A 58 3.455 8.256 -6.139 1.00 0.35 C ATOM 807 CE1 TYR A 58 5.450 6.546 -5.346 1.00 0.30 C ATOM 808 CE2 TYR A 58 4.621 8.182 -6.866 1.00 0.38 C ATOM 809 CZ TYR A 58 5.618 7.325 -6.467 1.00 0.33 C ATOM 810 OH TYR A 58 6.784 7.245 -7.193 1.00 0.37 O ATOM 0 H TYR A 58 3.310 7.216 -2.197 1.00 0.25 H new ATOM 0 HA TYR A 58 2.453 9.525 -3.504 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.749 6.595 -3.794 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.159 7.821 -4.899 1.00 0.27 H new ATOM 0 HD1 TYR A 58 4.155 6.013 -3.744 1.00 0.28 H new ATOM 0 HD2 TYR A 58 2.675 8.931 -6.457 1.00 0.35 H new ATOM 0 HE1 TYR A 58 6.234 5.872 -5.033 1.00 0.30 H new ATOM 0 HE2 TYR A 58 4.752 8.795 -7.746 1.00 0.38 H new ATOM 0 HH TYR A 58 6.738 7.861 -7.954 1.00 0.37 H new ATOM 820 N PHE A 59 0.175 8.079 -1.660 1.00 0.30 N ATOM 821 CA PHE A 59 -1.097 8.286 -0.984 1.00 0.32 C ATOM 822 C PHE A 59 -1.151 9.683 -0.357 1.00 0.35 C ATOM 823 O PHE A 59 -2.147 10.397 -0.481 1.00 0.42 O ATOM 824 CB PHE A 59 -1.259 7.207 0.080 1.00 0.33 C ATOM 825 CG PHE A 59 -2.635 7.112 0.670 1.00 0.35 C ATOM 826 CD1 PHE A 59 -2.996 7.910 1.741 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.570 6.234 0.148 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.263 7.833 2.282 1.00 0.56 C ATOM 829 CE2 PHE A 59 -4.839 6.151 0.687 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.176 6.919 1.769 1.00 0.47 C ATOM 0 H PHE A 59 0.677 7.246 -1.352 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.915 8.217 -1.702 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -0.998 6.243 -0.357 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.546 7.397 0.883 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.278 8.601 2.158 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.304 5.607 -0.690 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.544 8.480 3.100 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.566 5.480 0.254 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.150 6.815 2.224 1.00 0.47 H new ATOM 840 N GLU A 60 -0.061 10.072 0.294 1.00 0.34 N ATOM 841 CA GLU A 60 0.055 11.394 0.906 1.00 0.37 C ATOM 842 C GLU A 60 0.378 12.461 -0.136 1.00 0.35 C ATOM 843 O GLU A 60 -0.018 13.618 -0.003 1.00 0.41 O ATOM 844 CB GLU A 60 1.136 11.372 1.978 1.00 0.39 C ATOM 845 CG GLU A 60 0.730 10.608 3.224 1.00 0.44 C ATOM 846 CD GLU A 60 -0.433 11.259 3.941 1.00 0.91 C ATOM 847 OE1 GLU A 60 -1.594 10.967 3.586 1.00 1.07 O ATOM 848 OE2 GLU A 60 -0.196 12.075 4.857 1.00 1.42 O ATOM 0 H GLU A 60 0.764 9.485 0.413 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.904 11.644 1.359 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.039 10.924 1.564 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.386 12.397 2.254 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.461 9.588 2.951 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.581 10.543 3.901 1.00 0.44 H new ATOM 855 N LYS A 61 1.095 12.056 -1.175 1.00 0.32 N ATOM 856 CA LYS A 61 1.485 12.956 -2.250 1.00 0.33 C ATOM 857 C LYS A 61 0.261 13.430 -3.035 1.00 0.35 C ATOM 858 O LYS A 61 0.296 14.469 -3.700 1.00 0.40 O ATOM 859 CB LYS A 61 2.472 12.263 -3.198 1.00 0.33 C ATOM 860 CG LYS A 61 3.845 12.016 -2.591 1.00 0.48 C ATOM 861 CD LYS A 61 4.945 11.980 -3.649 1.00 0.49 C ATOM 862 CE LYS A 61 4.650 10.985 -4.764 1.00 0.36 C ATOM 863 NZ LYS A 61 4.429 11.661 -6.076 1.00 1.10 N ATOM 0 H LYS A 61 1.422 11.097 -1.296 1.00 0.32 H new ATOM 0 HA LYS A 61 1.970 13.823 -1.802 1.00 0.33 H new ATOM 0 HB2 LYS A 61 2.049 11.309 -3.513 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.587 12.872 -4.095 1.00 0.33 H new ATOM 0 HG2 LYS A 61 4.066 12.799 -1.866 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.835 11.072 -2.047 1.00 0.48 H new ATOM 0 HD2 LYS A 61 5.066 12.975 -4.077 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.892 11.720 -3.175 1.00 0.49 H new ATOM 0 HE2 LYS A 61 5.480 10.284 -4.853 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.767 10.401 -4.504 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 4.650 11.001 -6.848 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 3.435 11.959 -6.150 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 5.047 12.495 -6.145 1.00 1.10 H new ATOM 877 N GLY A 62 -0.822 12.666 -2.945 1.00 0.34 N ATOM 878 CA GLY A 62 -2.015 12.962 -3.715 1.00 0.36 C ATOM 879 C GLY A 62 -2.133 12.041 -4.906 1.00 0.33 C ATOM 880 O GLY A 62 -3.106 12.084 -5.658 1.00 0.35 O ATOM 0 H GLY A 62 -0.894 11.842 -2.348 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -2.896 12.858 -3.082 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -1.986 13.998 -4.053 1.00 0.36 H new ATOM 884 N ASP A 63 -1.129 11.193 -5.058 1.00 0.31 N ATOM 885 CA ASP A 63 -1.052 10.248 -6.151 1.00 0.30 C ATOM 886 C ASP A 63 -1.637 8.907 -5.727 1.00 0.27 C ATOM 887 O ASP A 63 -0.920 7.910 -5.613 1.00 0.32 O ATOM 888 CB ASP A 63 0.407 10.074 -6.564 1.00 0.32 C ATOM 889 CG ASP A 63 1.031 11.348 -7.102 1.00 0.84 C ATOM 890 OD1 ASP A 63 0.775 11.691 -8.274 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.792 12.005 -6.355 1.00 1.26 O ATOM 0 H ASP A 63 -0.337 11.144 -4.417 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.627 10.626 -6.997 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.983 9.730 -5.705 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.473 9.296 -7.324 1.00 0.32 H new ATOM 896 N TYR A 64 -2.944 8.887 -5.497 1.00 0.27 N ATOM 897 CA TYR A 64 -3.617 7.695 -4.992 1.00 0.28 C ATOM 898 C TYR A 64 -3.556 6.559 -6.002 1.00 0.29 C ATOM 899 O TYR A 64 -3.500 5.387 -5.629 1.00 0.34 O ATOM 900 CB TYR A 64 -5.074 8.010 -4.633 1.00 0.29 C ATOM 901 CG TYR A 64 -5.204 9.020 -3.515 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.079 8.632 -2.187 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.435 10.362 -3.786 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.181 9.550 -1.163 1.00 0.36 C ATOM 905 CE2 TYR A 64 -5.538 11.288 -2.766 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.409 10.877 -1.456 1.00 0.38 C ATOM 907 OH TYR A 64 -5.513 11.794 -0.433 1.00 0.43 O ATOM 0 H TYR A 64 -3.561 9.684 -5.652 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.095 7.375 -4.090 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.586 8.388 -5.518 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.578 7.088 -4.342 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.899 7.593 -1.952 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -5.536 10.687 -4.811 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.083 9.230 -0.136 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -5.719 12.328 -2.993 1.00 0.39 H new ATOM 0 HH TYR A 64 -5.673 12.685 -0.808 1.00 0.43 H new ATOM 917 N ASN A 65 -3.547 6.906 -7.279 1.00 0.31 N ATOM 918 CA ASN A 65 -3.486 5.898 -8.327 1.00 0.37 C ATOM 919 C ASN A 65 -2.123 5.221 -8.347 1.00 0.33 C ATOM 920 O ASN A 65 -2.015 4.037 -8.658 1.00 0.34 O ATOM 921 CB ASN A 65 -3.804 6.503 -9.692 1.00 0.47 C ATOM 922 CG ASN A 65 -5.216 7.056 -9.776 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.486 7.986 -10.540 1.00 1.66 O ATOM 924 ND2 ASN A 65 -6.127 6.495 -8.992 1.00 2.18 N ATOM 0 H ASN A 65 -3.581 7.869 -7.614 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.242 5.144 -8.108 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -3.093 7.301 -9.905 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -3.670 5.743 -10.461 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -7.090 6.831 -9.008 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -5.865 5.728 -8.373 1.00 2.18 H new ATOM 931 N LYS A 66 -1.082 5.966 -7.989 1.00 0.34 N ATOM 932 CA LYS A 66 0.257 5.409 -7.907 1.00 0.32 C ATOM 933 C LYS A 66 0.371 4.528 -6.674 1.00 0.31 C ATOM 934 O LYS A 66 1.058 3.510 -6.689 1.00 0.32 O ATOM 935 CB LYS A 66 1.293 6.521 -7.850 1.00 0.29 C ATOM 936 CG LYS A 66 2.574 6.203 -8.589 1.00 0.40 C ATOM 937 CD LYS A 66 3.196 4.956 -8.121 1.00 0.63 C ATOM 938 CE LYS A 66 4.639 4.918 -8.554 1.00 0.42 C ATOM 939 NZ LYS A 66 4.800 5.114 -10.020 1.00 0.68 N ATOM 0 H LYS A 66 -1.143 6.956 -7.752 1.00 0.34 H new ATOM 0 HA LYS A 66 0.443 4.808 -8.797 1.00 0.32 H new ATOM 0 HB2 LYS A 66 0.860 7.430 -8.268 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.529 6.731 -6.807 1.00 0.29 H new ATOM 0 HG2 LYS A 66 2.365 6.123 -9.656 1.00 0.40 H new ATOM 0 HG3 LYS A 66 3.277 7.026 -8.463 1.00 0.40 H new ATOM 0 HD2 LYS A 66 3.130 4.890 -7.035 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.661 4.097 -8.526 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.194 5.692 -8.024 1.00 0.42 H new ATOM 0 HE3 LYS A 66 5.075 3.961 -8.269 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.779 4.896 -10.294 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 4.149 4.482 -10.528 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.584 6.102 -10.264 1.00 0.68 H new ATOM 953 N CYS A 67 -0.308 4.923 -5.608 1.00 0.31 N ATOM 954 CA CYS A 67 -0.352 4.110 -4.407 1.00 0.32 C ATOM 955 C CYS A 67 -0.924 2.736 -4.747 1.00 0.36 C ATOM 956 O CYS A 67 -0.428 1.710 -4.285 1.00 0.39 O ATOM 957 CB CYS A 67 -1.183 4.796 -3.322 1.00 0.33 C ATOM 958 SG CYS A 67 -1.381 3.827 -1.810 1.00 1.29 S ATOM 0 H CYS A 67 -0.832 5.796 -5.552 1.00 0.31 H new ATOM 0 HA CYS A 67 0.659 3.986 -4.019 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.715 5.748 -3.070 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.170 5.023 -3.726 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.643 3.585 -1.612 1.00 1.29 H new ATOM 964 N ARG A 68 -1.952 2.726 -5.588 1.00 0.38 N ATOM 965 CA ARG A 68 -2.505 1.482 -6.103 1.00 0.45 C ATOM 966 C ARG A 68 -1.494 0.788 -7.013 1.00 0.42 C ATOM 967 O ARG A 68 -1.261 -0.418 -6.888 1.00 0.48 O ATOM 968 CB ARG A 68 -3.814 1.753 -6.857 1.00 0.60 C ATOM 969 CG ARG A 68 -4.441 0.515 -7.488 1.00 1.00 C ATOM 970 CD ARG A 68 -3.955 0.283 -8.914 1.00 1.21 C ATOM 971 NE ARG A 68 -4.486 -0.960 -9.472 1.00 1.92 N ATOM 972 CZ ARG A 68 -4.961 -1.083 -10.706 1.00 2.48 C ATOM 973 NH1 ARG A 68 -4.922 -0.057 -11.546 1.00 2.64 N ATOM 974 NH2 ARG A 68 -5.451 -2.247 -11.104 1.00 3.39 N ATOM 0 H ARG A 68 -2.419 3.567 -5.927 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.721 0.822 -5.263 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.531 2.198 -6.168 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.624 2.489 -7.639 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.206 -0.359 -6.880 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.526 0.620 -7.489 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -4.256 1.121 -9.542 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -2.866 0.251 -8.926 1.00 1.21 H new ATOM 0 HE ARG A 68 -4.492 -1.787 -8.874 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -4.525 0.833 -11.245 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -5.289 -0.159 -12.492 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -5.462 -3.041 -10.464 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -5.818 -2.349 -12.050 1.00 3.39 H new ATOM 988 N GLU A 69 -0.907 1.565 -7.925 1.00 0.38 N ATOM 989 CA GLU A 69 0.073 1.054 -8.881 1.00 0.37 C ATOM 990 C GLU A 69 1.165 0.263 -8.174 1.00 0.31 C ATOM 991 O GLU A 69 1.443 -0.887 -8.521 1.00 0.34 O ATOM 992 CB GLU A 69 0.706 2.210 -9.676 1.00 0.38 C ATOM 993 CG GLU A 69 1.675 1.746 -10.749 1.00 0.67 C ATOM 994 CD GLU A 69 2.383 2.898 -11.422 1.00 1.20 C ATOM 995 OE1 GLU A 69 1.727 3.637 -12.185 1.00 1.19 O ATOM 996 OE2 GLU A 69 3.598 3.073 -11.190 1.00 2.08 O ATOM 0 H GLU A 69 -1.098 2.562 -8.020 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.450 0.390 -9.569 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.086 2.797 -10.141 1.00 0.38 H new ATOM 0 HB3 GLU A 69 1.230 2.872 -8.986 1.00 0.38 H new ATOM 0 HG2 GLU A 69 2.414 1.079 -10.304 1.00 0.67 H new ATOM 0 HG3 GLU A 69 1.134 1.168 -11.498 1.00 0.67 H new ATOM 1003 N LEU A 70 1.755 0.879 -7.166 1.00 0.24 N ATOM 1004 CA LEU A 70 2.881 0.292 -6.468 1.00 0.21 C ATOM 1005 C LEU A 70 2.467 -0.864 -5.567 1.00 0.22 C ATOM 1006 O LEU A 70 3.136 -1.890 -5.547 1.00 0.23 O ATOM 1007 CB LEU A 70 3.609 1.353 -5.654 1.00 0.20 C ATOM 1008 CG LEU A 70 4.451 2.337 -6.465 1.00 0.21 C ATOM 1009 CD1 LEU A 70 5.226 3.236 -5.521 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.402 1.593 -7.392 1.00 0.24 C ATOM 0 H LEU A 70 1.470 1.792 -6.812 1.00 0.24 H new ATOM 0 HA LEU A 70 3.552 -0.111 -7.226 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.872 1.917 -5.082 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.257 0.853 -4.934 1.00 0.20 H new ATOM 0 HG LEU A 70 3.790 2.947 -7.080 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.827 3.938 -6.099 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.529 3.788 -4.890 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.880 2.629 -4.895 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.992 2.312 -7.961 1.00 0.24 H new ATOM 0 HD22 LEU A 70 6.067 0.963 -6.801 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.828 0.971 -8.079 1.00 0.24 H new ATOM 1022 N CYS A 71 1.374 -0.717 -4.825 1.00 0.24 N ATOM 1023 CA CYS A 71 0.959 -1.770 -3.902 1.00 0.25 C ATOM 1024 C CYS A 71 0.669 -3.074 -4.640 1.00 0.24 C ATOM 1025 O CYS A 71 1.135 -4.130 -4.225 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.256 -1.356 -3.081 1.00 0.32 C ATOM 1027 SG CYS A 71 0.045 0.002 -1.929 1.00 1.10 S ATOM 0 H CYS A 71 0.769 0.104 -4.842 1.00 0.24 H new ATOM 0 HA CYS A 71 1.792 -1.934 -3.219 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.057 -1.067 -3.761 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.611 -2.220 -2.519 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.302 1.126 -2.483 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.078 -3.001 -5.737 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.390 -4.193 -6.518 1.00 0.26 C ATOM 1035 C GLU A 72 0.878 -4.798 -7.112 1.00 0.23 C ATOM 1036 O GLU A 72 0.997 -6.017 -7.226 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.379 -3.864 -7.627 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.692 -4.613 -7.503 1.00 0.87 C ATOM 1039 CD GLU A 72 -3.589 -4.400 -8.699 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -3.500 -5.184 -9.660 1.00 1.68 O ATOM 1041 OE2 GLU A 72 -4.402 -3.451 -8.676 1.00 2.09 O ATOM 0 H GLU A 72 -0.476 -2.136 -6.103 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.844 -4.924 -5.849 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.578 -2.792 -7.620 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -0.925 -4.098 -8.590 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -2.491 -5.678 -7.388 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.210 -4.287 -6.601 1.00 0.87 H new ATOM 1048 N LYS A 73 1.823 -3.941 -7.478 1.00 0.23 N ATOM 1049 CA LYS A 73 3.116 -4.396 -7.972 1.00 0.23 C ATOM 1050 C LYS A 73 3.861 -5.115 -6.859 1.00 0.20 C ATOM 1051 O LYS A 73 4.380 -6.211 -7.054 1.00 0.21 O ATOM 1052 CB LYS A 73 3.950 -3.216 -8.486 1.00 0.27 C ATOM 1053 CG LYS A 73 5.397 -3.562 -8.843 1.00 0.33 C ATOM 1054 CD LYS A 73 5.549 -4.121 -10.256 1.00 0.57 C ATOM 1055 CE LYS A 73 5.059 -5.557 -10.385 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.111 -6.029 -11.794 1.00 1.23 N ATOM 0 H LYS A 73 1.718 -2.927 -7.442 1.00 0.23 H new ATOM 0 HA LYS A 73 2.951 -5.083 -8.802 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.462 -2.801 -9.368 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.955 -2.434 -7.727 1.00 0.27 H new ATOM 0 HG2 LYS A 73 6.013 -2.668 -8.744 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.777 -4.291 -8.128 1.00 0.33 H new ATOM 0 HD2 LYS A 73 4.995 -3.490 -10.952 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.598 -4.073 -10.548 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.670 -6.208 -9.760 1.00 0.60 H new ATOM 0 HE3 LYS A 73 4.036 -5.628 -10.015 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 4.770 -7.010 -11.844 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 4.508 -5.422 -12.386 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 6.091 -5.985 -12.139 1.00 1.23 H new ATOM 1070 N ALA A 74 3.891 -4.486 -5.693 1.00 0.19 N ATOM 1071 CA ALA A 74 4.491 -5.071 -4.508 1.00 0.17 C ATOM 1072 C ALA A 74 3.849 -6.406 -4.199 1.00 0.16 C ATOM 1073 O ALA A 74 4.526 -7.364 -3.860 1.00 0.16 O ATOM 1074 CB ALA A 74 4.349 -4.125 -3.329 1.00 0.18 C ATOM 0 H ALA A 74 3.499 -3.556 -5.544 1.00 0.19 H new ATOM 0 HA ALA A 74 5.552 -5.235 -4.695 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.803 -4.574 -2.445 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.850 -3.184 -3.555 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.292 -3.937 -3.139 1.00 0.18 H new ATOM 1080 N ILE A 75 2.535 -6.459 -4.326 1.00 0.16 N ATOM 1081 CA ILE A 75 1.790 -7.686 -4.110 1.00 0.16 C ATOM 1082 C ILE A 75 2.182 -8.745 -5.128 1.00 0.17 C ATOM 1083 O ILE A 75 2.383 -9.906 -4.776 1.00 0.18 O ATOM 1084 CB ILE A 75 0.277 -7.427 -4.176 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.144 -6.556 -3.001 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.503 -8.729 -4.180 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.625 -6.298 -2.945 1.00 0.23 C ATOM 0 H ILE A 75 1.957 -5.658 -4.580 1.00 0.16 H new ATOM 0 HA ILE A 75 2.037 -8.053 -3.114 1.00 0.16 H new ATOM 0 HB ILE A 75 0.054 -6.906 -5.107 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.168 -7.035 -2.073 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.381 -5.602 -3.059 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.570 -8.514 -4.227 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.214 -9.324 -5.047 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.285 -9.286 -3.269 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.853 -5.671 -2.083 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -1.941 -5.790 -3.856 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.156 -7.246 -2.855 1.00 0.23 H new ATOM 1099 N GLU A 76 2.309 -8.339 -6.383 1.00 0.18 N ATOM 1100 CA GLU A 76 2.744 -9.250 -7.434 1.00 0.21 C ATOM 1101 C GLU A 76 4.140 -9.780 -7.115 1.00 0.20 C ATOM 1102 O GLU A 76 4.461 -10.934 -7.378 1.00 0.24 O ATOM 1103 CB GLU A 76 2.751 -8.529 -8.783 1.00 0.24 C ATOM 1104 CG GLU A 76 2.993 -9.445 -9.970 1.00 0.77 C ATOM 1105 CD GLU A 76 1.924 -10.508 -10.107 1.00 1.47 C ATOM 1106 OE1 GLU A 76 0.771 -10.154 -10.434 1.00 1.62 O ATOM 1107 OE2 GLU A 76 2.225 -11.700 -9.888 1.00 2.35 O ATOM 0 H GLU A 76 2.118 -7.388 -6.699 1.00 0.18 H new ATOM 0 HA GLU A 76 2.050 -10.089 -7.488 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.796 -8.021 -8.917 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.522 -7.759 -8.768 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.029 -8.850 -10.883 1.00 0.77 H new ATOM 0 HG3 GLU A 76 3.966 -9.924 -9.863 1.00 0.77 H new ATOM 1114 N VAL A 77 4.953 -8.912 -6.535 1.00 0.21 N ATOM 1115 CA VAL A 77 6.311 -9.244 -6.128 1.00 0.22 C ATOM 1116 C VAL A 77 6.321 -10.150 -4.895 1.00 0.21 C ATOM 1117 O VAL A 77 7.057 -11.129 -4.844 1.00 0.24 O ATOM 1118 CB VAL A 77 7.093 -7.942 -5.835 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.411 -8.217 -5.125 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.330 -7.165 -7.124 1.00 0.25 C ATOM 0 H VAL A 77 4.688 -7.948 -6.331 1.00 0.21 H new ATOM 0 HA VAL A 77 6.790 -9.788 -6.943 1.00 0.22 H new ATOM 0 HB VAL A 77 6.484 -7.337 -5.163 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.927 -7.275 -4.939 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.216 -8.718 -4.177 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.035 -8.855 -5.751 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.881 -6.251 -6.902 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.907 -7.777 -7.817 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.372 -6.910 -7.576 1.00 0.25 H new ATOM 1130 N GLY A 78 5.489 -9.828 -3.916 1.00 0.19 N ATOM 1131 CA GLY A 78 5.455 -10.591 -2.684 1.00 0.21 C ATOM 1132 C GLY A 78 4.826 -11.954 -2.867 1.00 0.21 C ATOM 1133 O GLY A 78 5.348 -12.955 -2.388 1.00 0.27 O ATOM 0 H GLY A 78 4.833 -9.048 -3.953 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.470 -10.710 -2.306 1.00 0.21 H new ATOM 0 HA3 GLY A 78 4.897 -10.035 -1.931 1.00 0.21 H new ATOM 1137 N ARG A 79 3.713 -11.992 -3.583 1.00 0.21 N ATOM 1138 CA ARG A 79 3.014 -13.240 -3.868 1.00 0.28 C ATOM 1139 C ARG A 79 3.886 -14.123 -4.758 1.00 0.28 C ATOM 1140 O ARG A 79 3.751 -15.348 -4.787 1.00 0.33 O ATOM 1141 CB ARG A 79 1.679 -12.917 -4.539 1.00 0.39 C ATOM 1142 CG ARG A 79 0.718 -14.085 -4.656 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.688 -13.581 -4.939 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.642 -14.664 -5.168 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.755 -14.839 -4.456 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -3.023 -14.043 -3.428 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.593 -15.819 -4.763 1.00 2.63 N ATOM 0 H ARG A 79 3.269 -11.165 -3.982 1.00 0.21 H new ATOM 0 HA ARG A 79 2.816 -13.786 -2.945 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.191 -12.120 -3.977 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.877 -12.528 -5.538 1.00 0.39 H new ATOM 0 HG2 ARG A 79 1.041 -14.752 -5.455 1.00 0.81 H new ATOM 0 HG3 ARG A 79 0.725 -14.665 -3.733 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -1.028 -12.975 -4.099 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.667 -12.931 -5.813 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.444 -15.326 -5.918 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.376 -13.294 -3.181 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -3.876 -14.180 -2.886 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.386 -16.440 -5.545 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.444 -15.952 -4.217 1.00 2.63 H new ATOM 1161 N GLU A 80 4.796 -13.475 -5.470 1.00 0.27 N ATOM 1162 CA GLU A 80 5.793 -14.154 -6.278 1.00 0.32 C ATOM 1163 C GLU A 80 6.921 -14.683 -5.394 1.00 0.31 C ATOM 1164 O GLU A 80 7.246 -15.868 -5.410 1.00 0.37 O ATOM 1165 CB GLU A 80 6.358 -13.167 -7.302 1.00 0.36 C ATOM 1166 CG GLU A 80 7.448 -13.730 -8.188 1.00 0.57 C ATOM 1167 CD GLU A 80 6.966 -14.862 -9.070 1.00 1.18 C ATOM 1168 OE1 GLU A 80 6.423 -14.574 -10.156 1.00 1.22 O ATOM 1169 OE2 GLU A 80 7.138 -16.039 -8.696 1.00 1.96 O ATOM 0 H GLU A 80 4.862 -12.458 -5.502 1.00 0.27 H new ATOM 0 HA GLU A 80 5.330 -14.997 -6.791 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.543 -12.812 -7.933 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.751 -12.300 -6.772 1.00 0.36 H new ATOM 0 HG2 GLU A 80 7.847 -12.933 -8.815 1.00 0.57 H new ATOM 0 HG3 GLU A 80 8.268 -14.086 -7.564 1.00 0.57 H new ATOM 1176 N ASN A 81 7.486 -13.789 -4.596 1.00 0.29 N ATOM 1177 CA ASN A 81 8.663 -14.087 -3.791 1.00 0.35 C ATOM 1178 C ASN A 81 8.274 -14.534 -2.390 1.00 0.35 C ATOM 1179 O ASN A 81 8.991 -14.269 -1.429 1.00 0.49 O ATOM 1180 CB ASN A 81 9.579 -12.867 -3.732 1.00 0.40 C ATOM 1181 CG ASN A 81 11.035 -13.226 -3.486 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.786 -13.490 -4.425 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.452 -13.220 -2.229 1.00 1.13 N ATOM 0 H ASN A 81 7.141 -12.835 -4.488 1.00 0.29 H new ATOM 0 HA ASN A 81 9.200 -14.910 -4.263 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.500 -12.315 -4.669 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.236 -12.201 -2.940 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.425 -13.439 -2.013 1.00 1.13 H new ATOM 0 HD22 ASN A 81 10.801 -12.996 -1.477 1.00 1.13 H new ATOM 1190 N ARG A 82 7.091 -15.146 -2.284 1.00 0.32 N ATOM 1191 CA ARG A 82 6.621 -15.809 -1.058 1.00 0.37 C ATOM 1192 C ARG A 82 6.742 -14.917 0.184 1.00 0.32 C ATOM 1193 O ARG A 82 7.016 -15.386 1.290 1.00 0.38 O ATOM 1194 CB ARG A 82 7.299 -17.195 -0.881 1.00 0.47 C ATOM 1195 CG ARG A 82 8.826 -17.214 -0.912 1.00 1.04 C ATOM 1196 CD ARG A 82 9.420 -16.602 0.337 1.00 1.99 C ATOM 1197 NE ARG A 82 10.833 -16.260 0.170 1.00 2.83 N ATOM 1198 CZ ARG A 82 11.430 -15.248 0.798 1.00 3.77 C ATOM 1199 NH1 ARG A 82 10.744 -14.493 1.648 1.00 4.01 N ATOM 1200 NH2 ARG A 82 12.712 -14.988 0.572 1.00 4.67 N ATOM 0 H ARG A 82 6.424 -15.197 -3.054 1.00 0.32 H new ATOM 0 HA ARG A 82 5.552 -15.988 -1.173 1.00 0.37 H new ATOM 0 HB2 ARG A 82 6.972 -17.616 0.069 1.00 0.47 H new ATOM 0 HB3 ARG A 82 6.933 -17.857 -1.666 1.00 0.47 H new ATOM 0 HG2 ARG A 82 9.175 -18.242 -1.015 1.00 1.04 H new ATOM 0 HG3 ARG A 82 9.179 -16.669 -1.787 1.00 1.04 H new ATOM 0 HD2 ARG A 82 8.860 -15.705 0.601 1.00 1.99 H new ATOM 0 HD3 ARG A 82 9.313 -17.300 1.167 1.00 1.99 H new ATOM 0 HE ARG A 82 11.393 -16.830 -0.464 1.00 2.83 H new ATOM 0 HH11 ARG A 82 9.758 -14.687 1.821 1.00 4.01 H new ATOM 0 HH12 ARG A 82 11.203 -13.719 2.128 1.00 4.01 H new ATOM 0 HH21 ARG A 82 13.241 -15.563 -0.083 1.00 4.67 H new ATOM 0 HH22 ARG A 82 13.168 -14.213 1.054 1.00 4.67 H new ATOM 1214 N GLU A 83 6.484 -13.632 -0.009 1.00 0.27 N ATOM 1215 CA GLU A 83 6.581 -12.653 1.059 1.00 0.27 C ATOM 1216 C GLU A 83 5.299 -12.647 1.889 1.00 0.25 C ATOM 1217 O GLU A 83 4.288 -13.224 1.486 1.00 0.25 O ATOM 1218 CB GLU A 83 6.855 -11.264 0.470 1.00 0.28 C ATOM 1219 CG GLU A 83 7.197 -10.200 1.508 1.00 0.43 C ATOM 1220 CD GLU A 83 8.267 -10.652 2.484 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.466 -10.519 2.163 1.00 1.15 O ATOM 1222 OE2 GLU A 83 7.913 -11.140 3.581 1.00 1.60 O ATOM 0 H GLU A 83 6.202 -13.241 -0.908 1.00 0.27 H new ATOM 0 HA GLU A 83 7.409 -12.921 1.715 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.678 -11.339 -0.241 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.978 -10.940 -0.090 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.535 -9.297 0.999 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.296 -9.936 2.061 1.00 0.43 H new ATOM 1229 N ASP A 84 5.371 -12.006 3.050 1.00 0.26 N ATOM 1230 CA ASP A 84 4.257 -11.918 3.985 1.00 0.26 C ATOM 1231 C ASP A 84 2.970 -11.458 3.307 1.00 0.25 C ATOM 1232 O ASP A 84 2.842 -10.304 2.903 1.00 0.26 O ATOM 1233 CB ASP A 84 4.615 -10.957 5.117 1.00 0.29 C ATOM 1234 CG ASP A 84 3.537 -10.878 6.172 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.078 -11.940 6.644 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.139 -9.756 6.533 1.00 0.68 O ATOM 0 H ASP A 84 6.213 -11.528 3.371 1.00 0.26 H new ATOM 0 HA ASP A 84 4.079 -12.918 4.381 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.549 -11.277 5.580 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.788 -9.963 4.704 1.00 0.29 H new ATOM 1241 N TYR A 85 2.014 -12.373 3.195 1.00 0.26 N ATOM 1242 CA TYR A 85 0.721 -12.065 2.596 1.00 0.26 C ATOM 1243 C TYR A 85 -0.076 -11.117 3.485 1.00 0.27 C ATOM 1244 O TYR A 85 -1.004 -10.453 3.031 1.00 0.26 O ATOM 1245 CB TYR A 85 -0.077 -13.346 2.357 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.313 -14.154 3.611 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.267 -13.764 4.541 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.421 -15.301 3.865 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.481 -14.495 5.690 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.215 -16.040 5.011 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.738 -15.634 5.920 1.00 0.38 C ATOM 1252 OH TYR A 85 -0.945 -16.368 7.064 1.00 0.44 O ATOM 0 H TYR A 85 2.111 -13.338 3.512 1.00 0.26 H new ATOM 0 HA TYR A 85 0.902 -11.576 1.639 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -1.039 -13.088 1.915 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.452 -13.964 1.631 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.851 -12.873 4.361 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.167 -15.622 3.153 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.225 -14.178 6.405 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.797 -16.931 5.195 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.341 -17.140 7.071 1.00 0.44 H new ATOM 1262 N ARG A 86 0.282 -11.072 4.760 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.352 -10.158 5.692 1.00 0.33 C ATOM 1264 C ARG A 86 -0.022 -8.730 5.290 1.00 0.32 C ATOM 1265 O ARG A 86 -0.879 -7.846 5.313 1.00 0.32 O ATOM 1266 CB ARG A 86 0.115 -10.440 7.104 1.00 0.40 C ATOM 1267 CG ARG A 86 -0.183 -11.850 7.549 1.00 0.44 C ATOM 1268 CD ARG A 86 0.307 -12.074 8.952 1.00 0.55 C ATOM 1269 NE ARG A 86 1.765 -12.073 9.020 1.00 1.57 N ATOM 1270 CZ ARG A 86 2.458 -12.206 10.144 1.00 1.98 C ATOM 1271 NH1 ARG A 86 1.830 -12.323 11.310 1.00 1.57 N ATOM 1272 NH2 ARG A 86 3.782 -12.215 10.104 1.00 3.04 N ATOM 0 H ARG A 86 1.008 -11.659 5.170 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.433 -10.297 5.663 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.189 -10.263 7.169 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.365 -9.739 7.787 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -1.256 -12.034 7.499 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.294 -12.559 6.873 1.00 0.44 H new ATOM 0 HD2 ARG A 86 -0.088 -11.296 9.604 1.00 0.55 H new ATOM 0 HD3 ARG A 86 -0.074 -13.025 9.323 1.00 0.55 H new ATOM 0 HE ARG A 86 2.284 -11.963 8.149 1.00 1.57 H new ATOM 0 HH11 ARG A 86 0.811 -12.311 11.344 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.368 -12.425 12.171 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.266 -12.120 9.211 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.318 -12.317 10.966 1.00 3.04 H new ATOM 1286 N GLN A 87 1.233 -8.540 4.906 1.00 0.33 N ATOM 1287 CA GLN A 87 1.714 -7.293 4.332 1.00 0.33 C ATOM 1288 C GLN A 87 0.975 -7.014 3.025 1.00 0.28 C ATOM 1289 O GLN A 87 0.576 -5.885 2.746 1.00 0.28 O ATOM 1290 CB GLN A 87 3.217 -7.421 4.073 1.00 0.39 C ATOM 1291 CG GLN A 87 4.031 -6.188 4.414 1.00 0.49 C ATOM 1292 CD GLN A 87 3.711 -5.000 3.532 1.00 0.57 C ATOM 1293 OE1 GLN A 87 2.837 -4.193 3.844 1.00 1.14 O ATOM 1294 NE2 GLN A 87 4.423 -4.881 2.424 1.00 1.46 N ATOM 0 H GLN A 87 1.954 -9.257 4.986 1.00 0.33 H new ATOM 0 HA GLN A 87 1.532 -6.467 5.019 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.600 -8.262 4.650 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.370 -7.660 3.021 1.00 0.39 H new ATOM 0 HG2 GLN A 87 3.852 -5.918 5.455 1.00 0.49 H new ATOM 0 HG3 GLN A 87 5.091 -6.424 4.324 1.00 0.49 H new ATOM 0 HE21 GLN A 87 5.139 -5.572 2.201 1.00 1.46 H new ATOM 0 HE22 GLN A 87 4.256 -4.098 1.792 1.00 1.46 H new ATOM 1303 N ILE A 88 0.791 -8.066 2.234 1.00 0.25 N ATOM 1304 CA ILE A 88 0.024 -7.990 0.993 1.00 0.22 C ATOM 1305 C ILE A 88 -1.396 -7.502 1.244 1.00 0.20 C ATOM 1306 O ILE A 88 -1.930 -6.698 0.484 1.00 0.20 O ATOM 1307 CB ILE A 88 0.001 -9.359 0.280 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.276 -9.518 -0.518 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.210 -9.505 -0.621 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.478 -10.873 -1.126 1.00 0.23 C ATOM 0 H ILE A 88 1.167 -8.993 2.433 1.00 0.25 H new ATOM 0 HA ILE A 88 0.519 -7.266 0.346 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.067 -10.143 1.035 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.283 -8.774 -1.315 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.123 -9.298 0.132 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.189 -10.482 -1.104 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.119 -9.414 -0.026 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.194 -8.724 -1.381 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.418 -10.888 -1.677 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.508 -11.625 -0.337 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.655 -11.093 -1.806 1.00 0.23 H new ATOM 1322 N ALA A 89 -2.002 -7.985 2.313 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.330 -7.542 2.688 1.00 0.21 C ATOM 1324 C ALA A 89 -3.313 -6.065 3.054 1.00 0.22 C ATOM 1325 O ALA A 89 -4.257 -5.334 2.765 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.853 -8.368 3.842 1.00 0.24 C ATOM 0 H ALA A 89 -1.595 -8.683 2.936 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.996 -7.678 1.836 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.851 -8.024 4.113 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.898 -9.417 3.548 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.187 -8.260 4.698 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.232 -5.626 3.682 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.073 -4.218 4.011 1.00 0.27 C ATOM 1334 C LYS A 90 -1.906 -3.415 2.731 1.00 0.24 C ATOM 1335 O LYS A 90 -2.377 -2.283 2.627 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.876 -4.001 4.939 1.00 0.33 C ATOM 1337 CG LYS A 90 -0.924 -4.842 6.207 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.248 -4.688 6.945 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.489 -3.245 7.373 1.00 0.67 C ATOM 1340 NZ LYS A 90 -3.762 -3.088 8.123 1.00 1.26 N ATOM 0 H LYS A 90 -1.456 -6.221 3.972 1.00 0.24 H new ATOM 0 HA LYS A 90 -2.965 -3.878 4.537 1.00 0.27 H new ATOM 0 HB2 LYS A 90 0.040 -4.231 4.395 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.827 -2.947 5.214 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.771 -5.891 5.952 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.106 -4.551 6.866 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.064 -5.018 6.302 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.253 -5.334 7.823 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -1.659 -2.909 7.994 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -2.507 -2.604 6.491 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -3.885 -2.091 8.394 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -4.558 -3.384 7.522 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -3.736 -3.679 8.979 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.240 -4.021 1.755 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.124 -3.444 0.428 1.00 0.22 C ATOM 1356 C ALA A 91 -2.502 -3.320 -0.207 1.00 0.19 C ATOM 1357 O ALA A 91 -2.858 -2.265 -0.720 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.198 -4.283 -0.442 1.00 0.22 C ATOM 0 H ALA A 91 -0.770 -4.920 1.863 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.691 -2.447 0.514 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.124 -3.834 -1.433 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.792 -4.323 0.013 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.598 -5.293 -0.530 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.279 -4.397 -0.143 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.648 -4.394 -0.654 1.00 0.16 C ATOM 1366 C TYR A 92 -5.489 -3.340 0.036 1.00 0.16 C ATOM 1367 O TYR A 92 -6.235 -2.604 -0.609 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.312 -5.754 -0.461 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.942 -6.781 -1.494 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.214 -6.565 -2.831 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.304 -7.960 -1.134 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.868 -7.493 -3.786 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.949 -8.896 -2.085 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.281 -8.697 -3.388 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.885 -9.585 -4.365 1.00 0.24 O ATOM 0 H TYR A 92 -2.984 -5.287 0.259 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.587 -4.168 -1.719 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -5.047 -6.137 0.525 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.394 -5.621 -0.471 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.707 -5.652 -3.132 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.082 -8.148 -0.094 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.048 -7.293 -4.832 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.409 -9.785 -1.794 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.492 -10.379 -3.946 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.369 -3.275 1.351 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.126 -2.321 2.134 1.00 0.21 C ATOM 1387 C ALA A 93 -5.750 -0.902 1.758 1.00 0.23 C ATOM 1388 O ALA A 93 -6.601 -0.021 1.704 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.902 -2.551 3.617 1.00 0.25 C ATOM 0 H ALA A 93 -4.752 -3.875 1.898 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.184 -2.466 1.917 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.479 -1.824 4.189 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.223 -3.559 3.881 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.843 -2.435 3.847 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.472 -0.693 1.482 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.981 0.616 1.094 1.00 0.27 C ATOM 1397 C ARG A 94 -4.397 0.934 -0.338 1.00 0.24 C ATOM 1398 O ARG A 94 -4.703 2.080 -0.661 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.460 0.667 1.255 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.862 2.051 1.082 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.444 2.105 1.628 1.00 0.53 C ATOM 1402 NE ARG A 94 -0.410 1.824 3.067 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.539 1.105 3.672 1.00 0.69 C ATOM 1404 NH1 ARG A 94 1.561 0.619 2.977 1.00 1.50 N ATOM 1405 NH2 ARG A 94 0.469 0.880 4.978 1.00 0.88 N ATOM 0 H ARG A 94 -3.755 -1.418 1.520 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.420 1.373 1.744 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.198 0.291 2.244 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.006 -0.006 0.528 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -1.859 2.320 0.026 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.482 2.786 1.596 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.178 1.382 1.100 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.018 3.090 1.439 1.00 0.53 H new ATOM 0 HE ARG A 94 -1.161 2.203 3.644 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.625 0.794 1.974 1.00 1.50 H new ATOM 0 HH12 ARG A 94 2.282 0.071 3.446 1.00 1.50 H new ATOM 0 HH21 ARG A 94 -0.309 1.256 5.519 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.194 0.331 5.440 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.422 -0.087 -1.190 1.00 0.21 N ATOM 1420 CA ILE A 95 -4.955 0.054 -2.542 1.00 0.21 C ATOM 1421 C ILE A 95 -6.409 0.486 -2.476 1.00 0.20 C ATOM 1422 O ILE A 95 -6.802 1.489 -3.074 1.00 0.24 O ATOM 1423 CB ILE A 95 -4.862 -1.267 -3.337 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.409 -1.634 -3.593 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.611 -1.160 -4.654 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.233 -2.942 -4.331 1.00 0.22 C ATOM 0 H ILE A 95 -4.079 -1.022 -0.968 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.355 0.806 -3.054 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.324 -2.053 -2.739 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -2.938 -0.837 -4.168 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -2.885 -1.692 -2.639 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.531 -2.102 -5.196 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.661 -0.942 -4.459 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.179 -0.359 -5.254 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.171 -3.137 -4.477 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.674 -3.751 -3.748 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.728 -2.882 -5.300 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.195 -0.271 -1.724 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.585 0.061 -1.541 1.00 0.18 C ATOM 1440 C GLY A 96 -8.757 1.402 -0.866 1.00 0.20 C ATOM 1441 O GLY A 96 -9.676 2.146 -1.182 1.00 0.23 O ATOM 0 H GLY A 96 -6.889 -1.113 -1.237 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.086 0.074 -2.509 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.068 -0.712 -0.943 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.854 1.716 0.054 1.00 0.20 N ATOM 1446 CA ASN A 97 -7.898 2.983 0.774 1.00 0.25 C ATOM 1447 C ASN A 97 -7.627 4.148 -0.171 1.00 0.25 C ATOM 1448 O ASN A 97 -8.179 5.230 -0.009 1.00 0.27 O ATOM 1449 CB ASN A 97 -6.884 2.982 1.922 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.157 4.067 2.945 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -8.301 4.470 3.150 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -6.111 4.530 3.613 1.00 1.64 N ATOM 0 H ASN A 97 -7.079 1.108 0.320 1.00 0.20 H new ATOM 0 HA ASN A 97 -8.897 3.104 1.192 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -6.901 2.010 2.416 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -5.881 3.115 1.516 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -6.239 5.247 4.327 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -5.178 4.170 3.413 1.00 1.64 H new ATOM 1459 N SER A 98 -6.785 3.908 -1.168 1.00 0.26 N ATOM 1460 CA SER A 98 -6.501 4.907 -2.190 1.00 0.29 C ATOM 1461 C SER A 98 -7.770 5.233 -2.965 1.00 0.29 C ATOM 1462 O SER A 98 -8.141 6.399 -3.119 1.00 0.32 O ATOM 1463 CB SER A 98 -5.420 4.387 -3.135 1.00 0.32 C ATOM 1464 OG SER A 98 -4.270 3.992 -2.410 1.00 0.94 O ATOM 0 H SER A 98 -6.285 3.027 -1.291 1.00 0.26 H new ATOM 0 HA SER A 98 -6.141 5.818 -1.711 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.805 3.542 -3.706 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.155 5.162 -3.854 1.00 0.32 H new ATOM 0 HG SER A 98 -4.388 3.076 -2.082 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.446 4.184 -3.421 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.720 4.324 -4.109 1.00 0.29 C ATOM 1472 C TYR A 99 -10.765 4.929 -3.173 1.00 0.28 C ATOM 1473 O TYR A 99 -11.613 5.716 -3.588 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.199 2.958 -4.599 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.399 2.390 -5.746 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.420 3.000 -6.986 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.651 1.232 -5.597 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.725 2.485 -8.050 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -7.941 0.705 -6.658 1.00 0.32 C ATOM 1480 CZ TYR A 99 -7.983 1.336 -7.886 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.289 0.812 -8.953 1.00 0.43 O ATOM 0 H TYR A 99 -8.127 3.220 -3.324 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.584 4.987 -4.963 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.166 2.255 -3.766 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.242 3.041 -4.905 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -9.997 3.903 -7.120 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.623 0.735 -4.638 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.759 2.977 -9.011 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.357 -0.194 -6.528 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.022 1.536 -9.557 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.678 4.545 -1.910 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.575 5.019 -0.861 1.00 0.27 C ATOM 1493 C PHE A 100 -11.465 6.538 -0.699 1.00 0.32 C ATOM 1494 O PHE A 100 -12.438 7.212 -0.362 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.211 4.293 0.438 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.119 4.530 1.612 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.295 3.813 1.744 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.779 5.438 2.602 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.119 3.998 2.836 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.597 5.623 3.700 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.768 4.903 3.817 1.00 0.37 C ATOM 0 H PHE A 100 -9.974 3.886 -1.577 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.610 4.803 -1.124 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.186 3.222 0.236 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.201 4.587 0.722 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.572 3.099 0.982 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.865 6.007 2.514 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.037 3.435 2.922 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.320 6.331 4.467 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.409 5.047 4.674 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.282 7.077 -0.959 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.077 8.517 -0.892 1.00 0.38 C ATOM 1513 C LYS A 101 -10.515 9.188 -2.188 1.00 0.41 C ATOM 1514 O LYS A 101 -11.055 10.295 -2.175 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.605 8.853 -0.631 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.019 8.203 0.612 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.801 8.552 1.872 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.670 10.026 2.224 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.440 10.375 3.446 1.00 0.74 N ATOM 0 H LYS A 101 -9.453 6.542 -1.217 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.682 8.891 -0.066 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.017 8.547 -1.496 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.503 9.935 -0.542 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.008 7.121 0.482 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -6.983 8.520 0.731 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -9.853 8.304 1.728 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.441 7.946 2.703 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.619 10.271 2.375 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -9.021 10.631 1.388 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.324 11.388 3.652 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.447 10.165 3.293 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -9.088 9.816 4.249 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.298 8.502 -3.305 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.508 9.098 -4.617 1.00 0.40 C ATOM 1535 C GLU A 102 -11.951 8.907 -5.094 1.00 0.39 C ATOM 1536 O GLU A 102 -12.317 9.344 -6.188 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.515 8.510 -5.613 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.017 7.307 -6.382 1.00 0.38 C ATOM 1539 CD GLU A 102 -8.975 6.791 -7.352 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -8.827 7.393 -8.441 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.288 5.808 -7.028 1.00 0.45 O ATOM 0 H GLU A 102 -9.977 7.534 -3.327 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.337 10.172 -4.542 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.235 9.286 -6.325 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.609 8.227 -5.076 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.288 6.515 -5.684 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -10.922 7.575 -6.928 1.00 0.38 H new ATOM 1548 N GLU A 103 -12.755 8.252 -4.253 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.181 8.013 -4.510 1.00 0.35 C ATOM 1550 C GLU A 103 -14.407 6.884 -5.517 1.00 0.35 C ATOM 1551 O GLU A 103 -15.450 6.815 -6.167 1.00 0.45 O ATOM 1552 CB GLU A 103 -14.893 9.286 -4.974 1.00 0.38 C ATOM 1553 CG GLU A 103 -14.921 10.384 -3.927 1.00 1.11 C ATOM 1554 CD GLU A 103 -15.654 11.611 -4.409 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -15.021 12.474 -5.050 1.00 1.31 O ATOM 1556 OE2 GLU A 103 -16.870 11.722 -4.149 1.00 1.47 O ATOM 0 H GLU A 103 -12.433 7.868 -3.365 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.614 7.703 -3.559 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.399 9.662 -5.870 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -15.916 9.038 -5.255 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -15.399 10.009 -3.022 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -13.900 10.655 -3.659 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.434 5.997 -5.632 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.587 4.787 -6.424 1.00 0.31 C ATOM 1565 C LYS A 104 -13.879 3.615 -5.496 1.00 0.28 C ATOM 1566 O LYS A 104 -13.173 2.611 -5.486 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.330 4.532 -7.250 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.248 5.395 -8.500 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.088 5.013 -9.408 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.278 3.642 -10.039 1.00 1.11 C ATOM 1571 NZ LYS A 104 -12.509 3.569 -10.872 1.00 1.89 N ATOM 0 H LYS A 104 -12.523 6.093 -5.184 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.421 4.905 -7.116 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.452 4.717 -6.631 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.300 3.481 -7.539 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.182 5.310 -9.056 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.145 6.440 -8.208 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.983 5.761 -10.194 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -10.162 5.021 -8.834 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -10.411 3.405 -10.655 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -11.328 2.887 -9.254 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -13.190 2.920 -10.429 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -12.933 4.516 -10.949 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -12.266 3.220 -11.821 1.00 1.89 H new ATOM 1585 N TYR A 105 -14.939 3.768 -4.719 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.303 2.808 -3.678 1.00 0.25 C ATOM 1587 C TYR A 105 -15.596 1.426 -4.240 1.00 0.26 C ATOM 1588 O TYR A 105 -15.352 0.424 -3.572 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.505 3.320 -2.894 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.225 4.618 -2.189 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.371 4.672 -1.098 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -16.840 5.787 -2.602 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.139 5.862 -0.438 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.620 6.975 -1.948 1.00 0.39 C ATOM 1595 CZ TYR A 105 -15.645 7.007 -0.912 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.567 8.200 -0.210 1.00 0.46 O ATOM 0 H TYR A 105 -15.576 4.562 -4.789 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.445 2.710 -3.014 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.347 3.454 -3.573 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.803 2.570 -2.161 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -14.881 3.771 -0.760 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.504 5.765 -3.453 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.547 5.869 0.465 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.174 7.863 -2.214 1.00 0.39 H new ATOM 0 HH TYR A 105 -15.994 8.913 -0.729 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.115 1.370 -5.460 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.345 0.090 -6.119 1.00 0.35 C ATOM 1608 C LYS A 106 -15.039 -0.694 -6.190 1.00 0.31 C ATOM 1609 O LYS A 106 -14.994 -1.894 -5.914 1.00 0.31 O ATOM 1610 CB LYS A 106 -16.907 0.296 -7.529 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.252 1.003 -7.559 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.782 1.127 -8.979 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.152 1.790 -9.013 1.00 0.94 C ATOM 1614 NZ LYS A 106 -20.107 3.198 -8.536 1.00 1.57 N ATOM 0 H LYS A 106 -16.382 2.187 -6.009 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.076 -0.472 -5.538 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.191 0.873 -8.114 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.007 -0.675 -8.015 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -18.968 0.452 -6.949 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.153 1.995 -7.118 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -18.082 1.708 -9.579 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -18.845 0.137 -9.431 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -20.540 1.765 -10.031 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -20.845 1.220 -8.394 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -21.023 3.656 -8.718 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -19.910 3.213 -7.515 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -19.357 3.712 -9.041 1.00 1.57 H new ATOM 1628 N ASP A 107 -13.975 0.011 -6.542 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.645 -0.575 -6.616 1.00 0.29 C ATOM 1630 C ASP A 107 -12.080 -0.776 -5.217 1.00 0.23 C ATOM 1631 O ASP A 107 -11.382 -1.753 -4.951 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.716 0.330 -7.425 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.148 0.472 -8.867 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -13.097 1.238 -9.134 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -11.533 -0.169 -9.744 1.00 0.67 O ATOM 0 H ASP A 107 -14.008 1.001 -6.784 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.718 -1.543 -7.111 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.682 1.316 -6.962 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.704 -0.073 -7.391 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.404 0.158 -4.326 1.00 0.22 N ATOM 1641 CA ALA A 108 -11.955 0.104 -2.939 1.00 0.18 C ATOM 1642 C ALA A 108 -12.341 -1.218 -2.298 1.00 0.16 C ATOM 1643 O ALA A 108 -11.486 -1.965 -1.823 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.539 1.264 -2.139 1.00 0.18 C ATOM 0 H ALA A 108 -12.982 0.969 -4.544 1.00 0.22 H new ATOM 0 HA ALA A 108 -10.868 0.188 -2.934 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.192 1.206 -1.107 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.215 2.208 -2.578 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.627 1.209 -2.159 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.634 -1.510 -2.319 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.171 -2.714 -1.701 1.00 0.18 C ATOM 1652 C ILE A 109 -13.614 -3.970 -2.361 1.00 0.19 C ATOM 1653 O ILE A 109 -13.378 -4.977 -1.693 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.709 -2.713 -1.765 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.242 -1.516 -0.992 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.274 -3.997 -1.187 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.536 -0.963 -1.533 1.00 0.51 C ATOM 0 H ILE A 109 -14.338 -0.921 -2.763 1.00 0.17 H new ATOM 0 HA ILE A 109 -13.863 -2.718 -0.655 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.019 -2.646 -2.808 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.389 -1.805 0.049 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.490 -0.727 -1.000 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.362 -3.973 -1.243 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -15.900 -4.848 -1.756 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -15.966 -4.094 -0.146 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -17.849 -0.112 -0.928 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.391 -0.641 -2.564 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.304 -1.735 -1.499 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.381 -3.897 -3.667 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.811 -5.019 -4.402 1.00 0.23 C ATOM 1671 C HIS A 110 -11.490 -5.453 -3.774 1.00 0.20 C ATOM 1672 O HIS A 110 -11.315 -6.612 -3.406 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.583 -4.642 -5.871 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.065 -5.770 -6.719 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.886 -6.664 -7.367 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.799 -6.135 -7.031 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -12.149 -7.526 -8.040 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.878 -7.226 -7.860 1.00 0.40 N ATOM 0 H HIS A 110 -13.578 -3.074 -4.237 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.517 -5.848 -4.355 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.522 -4.285 -6.294 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.877 -3.813 -5.917 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.905 -6.661 -7.332 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.893 -5.656 -6.690 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.524 -8.342 -8.639 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.570 -4.508 -3.641 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.249 -4.800 -3.099 1.00 0.17 C ATOM 1689 C PHE A 111 -9.300 -4.940 -1.581 1.00 0.16 C ATOM 1690 O PHE A 111 -8.418 -5.551 -0.981 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.256 -3.721 -3.521 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.012 -3.707 -5.005 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.122 -4.596 -5.584 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.672 -2.801 -5.819 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.895 -4.582 -6.947 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.448 -2.783 -7.182 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.558 -3.686 -7.746 1.00 0.32 C ATOM 0 H PHE A 111 -10.713 -3.532 -3.901 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.911 -5.754 -3.504 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.630 -2.746 -3.209 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.310 -3.880 -3.003 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.599 -5.309 -4.963 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.369 -2.101 -5.383 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.194 -5.278 -7.384 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -8.964 -2.069 -7.807 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.388 -3.683 -8.812 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.334 -4.383 -0.962 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.589 -4.632 0.451 1.00 0.17 C ATOM 1709 C TYR A 112 -10.867 -6.112 0.671 1.00 0.20 C ATOM 1710 O TYR A 112 -10.249 -6.747 1.518 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.776 -3.812 0.958 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.479 -2.362 1.277 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.209 -1.943 1.665 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.489 -1.411 1.208 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -9.962 -0.620 1.970 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.248 -0.091 1.514 1.00 0.23 C ATOM 1717 CZ TYR A 112 -10.984 0.301 1.893 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.742 1.616 2.206 1.00 0.32 O ATOM 0 H TYR A 112 -11.005 -3.760 -1.412 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.702 -4.332 1.009 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.566 -3.846 0.207 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.168 -4.290 1.855 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.407 -2.663 1.728 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.482 -1.713 0.909 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -8.972 -0.308 2.268 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.047 0.634 1.457 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.554 2.143 2.054 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.788 -6.659 -0.115 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.124 -8.075 -0.046 1.00 0.28 C ATOM 1730 C ASN A 113 -10.914 -8.928 -0.399 1.00 0.27 C ATOM 1731 O ASN A 113 -10.779 -10.058 0.065 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.277 -8.385 -1.001 1.00 0.34 C ATOM 1733 CG ASN A 113 -14.586 -7.723 -0.600 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -15.398 -7.362 -1.454 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.812 -7.573 0.696 1.00 1.23 N ATOM 0 H ASN A 113 -12.319 -6.137 -0.813 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.430 -8.310 0.973 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -13.006 -8.059 -2.005 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.423 -9.464 -1.045 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.682 -7.147 1.016 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -14.117 -7.884 1.374 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.040 -8.374 -1.228 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.775 -9.010 -1.569 1.00 0.24 C ATOM 1744 C LYS A 114 -7.835 -9.009 -0.365 1.00 0.21 C ATOM 1745 O LYS A 114 -6.997 -9.896 -0.213 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.123 -8.270 -2.721 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.898 -8.331 -4.020 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.173 -9.194 -5.020 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.640 -8.936 -6.433 1.00 0.48 C ATOM 1750 NZ LYS A 114 -8.019 -9.872 -7.406 1.00 1.25 N ATOM 0 H LYS A 114 -10.187 -7.473 -1.682 1.00 0.25 H new ATOM 0 HA LYS A 114 -8.972 -10.041 -1.862 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -7.992 -7.225 -2.439 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.128 -8.683 -2.886 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.895 -8.732 -3.838 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.027 -7.326 -4.422 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.102 -9.006 -4.952 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.328 -10.244 -4.773 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.725 -9.033 -6.479 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.399 -7.910 -6.713 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.367 -9.660 -8.363 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -6.985 -9.763 -7.382 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -8.270 -10.850 -7.156 1.00 1.25 H new ATOM 1764 N SER A 115 -7.967 -7.998 0.482 1.00 0.20 N ATOM 1765 CA SER A 115 -7.209 -7.943 1.718 1.00 0.21 C ATOM 1766 C SER A 115 -7.770 -8.970 2.693 1.00 0.25 C ATOM 1767 O SER A 115 -7.015 -9.688 3.349 1.00 0.28 O ATOM 1768 CB SER A 115 -7.257 -6.539 2.323 1.00 0.23 C ATOM 1769 OG SER A 115 -6.502 -6.465 3.518 1.00 1.04 O ATOM 0 H SER A 115 -8.593 -7.206 0.333 1.00 0.20 H new ATOM 0 HA SER A 115 -6.165 -8.176 1.510 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.872 -5.817 1.602 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.292 -6.264 2.527 1.00 0.23 H new ATOM 0 HG SER A 115 -5.788 -5.802 3.413 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.106 -9.052 2.762 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.767 -10.112 3.520 1.00 0.31 C ATOM 1777 C LEU A 116 -9.306 -11.471 3.004 1.00 0.33 C ATOM 1778 O LEU A 116 -9.218 -12.444 3.753 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.302 -10.035 3.406 1.00 0.34 C ATOM 1780 CG LEU A 116 -12.021 -9.033 4.325 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.363 -8.970 5.688 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -12.086 -7.654 3.698 1.00 0.35 C ATOM 0 H LEU A 116 -9.742 -8.400 2.304 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.495 -9.982 4.568 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.553 -9.789 2.374 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.707 -11.027 3.605 1.00 0.34 H new ATOM 0 HG LEU A 116 -13.043 -9.389 4.457 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.893 -8.253 6.315 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.397 -9.955 6.154 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.325 -8.656 5.577 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.600 -6.971 4.374 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -11.075 -7.290 3.514 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.629 -7.708 2.755 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.016 -11.512 1.709 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.578 -12.722 1.036 1.00 0.33 C ATOM 1796 C ALA A 117 -7.228 -13.208 1.568 1.00 0.33 C ATOM 1797 O ALA A 117 -7.054 -14.399 1.838 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.508 -12.474 -0.468 1.00 0.32 C ATOM 0 H ALA A 117 -9.080 -10.700 1.095 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.305 -13.509 1.238 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.179 -13.383 -0.972 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.494 -12.191 -0.836 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.801 -11.670 -0.672 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.283 -12.291 1.735 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.935 -12.657 2.163 1.00 0.30 C ATOM 1806 C GLU A 118 -4.799 -12.658 3.685 1.00 0.32 C ATOM 1807 O GLU A 118 -4.336 -13.635 4.270 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.911 -11.702 1.551 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.829 -11.785 0.037 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.470 -13.168 -0.462 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.274 -13.521 -0.446 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.382 -13.921 -0.860 1.00 0.53 O ATOM 0 H GLU A 118 -6.422 -11.292 1.582 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.745 -13.671 1.812 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.163 -10.681 1.837 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.929 -11.918 1.972 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.787 -11.488 -0.390 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.086 -11.072 -0.321 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.225 -11.577 4.320 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.072 -11.424 5.762 1.00 0.36 C ATOM 1821 C HIS A 119 -6.283 -10.703 6.336 1.00 0.37 C ATOM 1822 O HIS A 119 -6.388 -9.477 6.276 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.744 -10.697 6.075 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.605 -10.086 7.450 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.708 -9.071 7.732 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.217 -10.364 8.619 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.778 -8.766 9.014 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.685 -9.536 9.572 1.00 0.50 N ATOM 0 H HIS A 119 -5.681 -10.789 3.859 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.023 -12.403 6.239 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.928 -11.406 5.935 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.609 -9.906 5.337 1.00 0.35 H new ATOM 0 HD1 HIS A 119 -2.089 -8.627 7.054 1.00 0.42 H new ATOM 0 HD2 HIS A 119 -4.987 -11.105 8.776 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.191 -8.013 9.518 1.00 0.48 H new ATOM 1837 N ARG A 120 -7.190 -11.494 6.887 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.423 -10.983 7.459 1.00 0.43 C ATOM 1839 C ARG A 120 -8.129 -10.035 8.613 1.00 0.46 C ATOM 1840 O ARG A 120 -7.434 -10.389 9.566 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.293 -12.144 7.939 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.595 -11.711 8.589 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.383 -12.911 9.081 1.00 0.62 C ATOM 1844 NE ARG A 120 -12.615 -12.520 9.764 1.00 1.38 N ATOM 1845 CZ ARG A 120 -13.623 -13.354 10.004 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -13.545 -14.624 9.625 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -14.705 -12.919 10.635 1.00 2.87 N ATOM 0 H ARG A 120 -7.091 -12.507 6.950 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.960 -10.428 6.689 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.519 -12.790 7.091 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.724 -12.741 8.652 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.384 -11.043 9.424 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.193 -11.147 7.873 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -11.627 -13.555 8.236 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -10.763 -13.497 9.760 1.00 0.62 H new ATOM 0 HE ARG A 120 -12.707 -11.553 10.074 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -12.710 -14.963 9.148 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -14.320 -15.260 9.811 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -14.764 -11.946 10.936 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -15.479 -13.557 10.820 1.00 2.87 H new ATOM 1861 N THR A 121 -8.642 -8.826 8.503 1.00 0.45 N ATOM 1862 CA THR A 121 -8.467 -7.818 9.528 1.00 0.50 C ATOM 1863 C THR A 121 -9.770 -7.071 9.760 1.00 0.49 C ATOM 1864 O THR A 121 -10.559 -6.877 8.833 1.00 0.47 O ATOM 1865 CB THR A 121 -7.390 -6.803 9.132 1.00 0.53 C ATOM 1866 OG1 THR A 121 -7.449 -6.553 7.727 1.00 0.52 O ATOM 1867 CG2 THR A 121 -6.001 -7.264 9.514 1.00 0.62 C ATOM 0 H THR A 121 -9.191 -8.515 7.702 1.00 0.45 H new ATOM 0 HA THR A 121 -8.159 -8.331 10.439 1.00 0.50 H new ATOM 0 HB THR A 121 -7.592 -5.883 9.681 1.00 0.53 H new ATOM 0 HG1 THR A 121 -8.385 -6.540 7.436 1.00 0.52 H new ATOM 0 HG21 THR A 121 -5.272 -6.511 9.213 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.949 -7.408 10.593 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.779 -8.205 9.012 1.00 0.62 H new ATOM 1875 N PRO A 122 -10.007 -6.639 11.005 1.00 0.56 N ATOM 1876 CA PRO A 122 -11.203 -5.902 11.373 1.00 0.56 C ATOM 1877 C PRO A 122 -11.173 -4.494 10.802 1.00 0.51 C ATOM 1878 O PRO A 122 -12.209 -3.886 10.569 1.00 0.50 O ATOM 1879 CB PRO A 122 -11.151 -5.864 12.899 1.00 0.65 C ATOM 1880 CG PRO A 122 -10.114 -6.853 13.285 1.00 0.76 C ATOM 1881 CD PRO A 122 -9.136 -6.837 12.164 1.00 0.69 C ATOM 0 HA PRO A 122 -12.113 -6.363 10.989 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.896 -4.867 13.258 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -12.118 -6.121 13.331 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -9.639 -6.581 14.228 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -10.545 -7.845 13.420 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -8.407 -6.033 12.269 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -8.575 -7.769 12.098 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.959 -4.003 10.576 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.724 -2.684 9.994 1.00 0.48 C ATOM 1891 C ASP A 123 -10.202 -2.630 8.561 1.00 0.40 C ATOM 1892 O ASP A 123 -10.978 -1.747 8.196 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.238 -2.353 10.044 1.00 0.55 C ATOM 1894 CG ASP A 123 -7.672 -2.409 11.447 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -7.752 -1.388 12.160 1.00 2.06 O ATOM 1896 OD2 ASP A 123 -7.147 -3.470 11.845 1.00 2.20 O ATOM 0 H ASP A 123 -9.103 -4.513 10.793 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.285 -1.952 10.576 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.693 -3.052 9.409 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -8.078 -1.357 9.632 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.749 -3.572 7.742 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.188 -3.603 6.363 1.00 0.29 C ATOM 1903 C VAL A 124 -11.666 -3.899 6.320 1.00 0.28 C ATOM 1904 O VAL A 124 -12.397 -3.214 5.643 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.463 -4.645 5.500 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.944 -4.563 4.056 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.960 -4.462 5.569 1.00 0.31 C ATOM 0 H VAL A 124 -9.093 -4.307 8.006 1.00 0.35 H new ATOM 0 HA VAL A 124 -9.953 -2.623 5.948 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.699 -5.634 5.893 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -9.421 -5.308 3.456 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -11.016 -4.754 4.018 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.739 -3.568 3.660 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.473 -5.214 4.948 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.698 -3.468 5.208 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.627 -4.573 6.601 1.00 0.31 H new ATOM 1917 N LEU A 125 -12.094 -4.911 7.065 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.505 -5.295 7.116 1.00 0.38 C ATOM 1919 C LEU A 125 -14.371 -4.079 7.448 1.00 0.38 C ATOM 1920 O LEU A 125 -15.387 -3.820 6.796 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.683 -6.396 8.165 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.999 -7.178 8.105 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.813 -8.552 8.725 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -16.105 -6.430 8.831 1.00 0.54 C ATOM 0 H LEU A 125 -11.483 -5.485 7.646 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.821 -5.674 6.144 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.859 -7.103 8.064 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.597 -5.945 9.154 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.286 -7.289 7.059 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.753 -9.102 8.679 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -14.046 -9.098 8.176 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.507 -8.443 9.766 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -17.030 -7.004 8.775 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.826 -6.292 9.876 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.254 -5.457 8.364 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.934 -3.334 8.453 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.559 -2.077 8.852 1.00 0.42 C ATOM 1938 C LYS A 126 -14.610 -1.100 7.681 1.00 0.39 C ATOM 1939 O LYS A 126 -15.591 -0.379 7.484 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.754 -1.500 10.016 1.00 0.48 C ATOM 1941 CG LYS A 126 -14.090 -0.077 10.407 1.00 0.58 C ATOM 1942 CD LYS A 126 -13.563 0.213 11.805 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.993 1.576 12.316 1.00 1.37 C ATOM 1944 NZ LYS A 126 -13.399 2.682 11.526 1.00 2.04 N ATOM 0 H LYS A 126 -13.126 -3.587 9.022 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.589 -2.252 9.164 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.899 -2.140 10.886 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.696 -1.546 9.760 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.652 0.619 9.692 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -15.169 0.073 10.377 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -13.917 -0.557 12.490 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -12.474 0.158 11.798 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -15.080 1.649 12.281 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -13.700 1.680 13.361 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -13.706 3.594 11.920 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -12.362 2.619 11.566 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -13.712 2.609 10.537 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.545 -1.106 6.902 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.424 -0.258 5.729 1.00 0.31 C ATOM 1960 C LYS A 127 -14.299 -0.748 4.582 1.00 0.27 C ATOM 1961 O LYS A 127 -14.925 0.052 3.888 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.971 -0.222 5.282 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.292 1.105 5.545 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.374 1.532 7.005 1.00 0.55 C ATOM 1965 CE LYS A 127 -11.282 3.049 7.105 1.00 0.82 C ATOM 1966 NZ LYS A 127 -11.233 3.524 8.509 1.00 1.48 N ATOM 0 H LYS A 127 -12.734 -1.703 7.065 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.762 0.742 6.000 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.421 -1.011 5.796 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.921 -0.442 4.215 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.245 1.037 5.250 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.750 1.872 4.921 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.310 1.186 7.443 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.567 1.071 7.574 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -10.391 3.391 6.578 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -12.141 3.496 6.604 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -11.171 4.562 8.522 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -12.094 3.222 9.008 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -10.399 3.121 8.983 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.345 -2.060 4.390 1.00 0.27 N ATOM 1981 CA CYS A 128 -15.082 -2.651 3.306 1.00 0.26 C ATOM 1982 C CYS A 128 -16.560 -2.320 3.459 1.00 0.29 C ATOM 1983 O CYS A 128 -17.226 -1.908 2.507 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.873 -4.170 3.309 1.00 0.26 C ATOM 1985 SG CYS A 128 -13.172 -4.699 3.485 1.00 0.91 S ATOM 0 H CYS A 128 -13.869 -2.736 4.988 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.725 -2.250 2.357 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -15.458 -4.600 4.122 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.270 -4.578 2.380 1.00 0.26 H new ATOM 0 HG CYS A 128 -12.507 -3.806 4.156 1.00 0.91 H new ATOM 1991 N GLN A 129 -17.051 -2.469 4.685 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.436 -2.161 5.002 1.00 0.36 C ATOM 1993 C GLN A 129 -18.675 -0.658 4.961 1.00 0.32 C ATOM 1994 O GLN A 129 -19.805 -0.205 4.789 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.802 -2.698 6.385 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.679 -4.205 6.494 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.992 -4.730 7.885 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -19.473 -5.853 8.040 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -18.723 -3.930 8.907 1.00 1.10 N ATOM 0 H GLN A 129 -16.504 -2.804 5.478 1.00 0.32 H new ATOM 0 HA GLN A 129 -19.066 -2.642 4.254 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -18.157 -2.233 7.130 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.825 -2.406 6.622 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.354 -4.671 5.776 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.667 -4.502 6.220 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -18.325 -3.006 8.740 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -18.914 -4.238 9.860 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.608 0.111 5.127 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.708 1.562 5.147 1.00 0.30 C ATOM 2010 C GLN A 130 -17.872 2.104 3.735 1.00 0.26 C ATOM 2011 O GLN A 130 -18.719 2.951 3.479 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.467 2.179 5.793 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.619 3.651 6.130 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.510 3.889 7.334 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -18.395 3.092 7.637 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -17.282 4.991 8.026 1.00 1.65 N ATOM 0 H GLN A 130 -16.661 -0.248 5.250 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.584 1.832 5.736 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.232 1.630 6.705 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.619 2.056 5.119 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.635 4.079 6.322 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -17.032 4.176 5.268 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -16.537 5.627 7.741 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -17.851 5.206 8.845 1.00 1.65 H new ATOM 2025 N ALA A 131 -17.070 1.600 2.816 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.094 2.087 1.447 1.00 0.21 C ATOM 2027 C ALA A 131 -18.429 1.799 0.770 1.00 0.23 C ATOM 2028 O ALA A 131 -18.907 2.601 -0.029 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.950 1.488 0.652 1.00 0.20 C ATOM 0 H ALA A 131 -16.395 0.855 2.990 1.00 0.23 H new ATOM 0 HA ALA A 131 -16.970 3.170 1.478 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.982 1.863 -0.371 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -15.002 1.768 1.111 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -16.042 0.402 0.644 1.00 0.20 H new ATOM 2035 N GLU A 132 -19.039 0.667 1.102 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.311 0.297 0.493 1.00 0.35 C ATOM 2037 C GLU A 132 -21.469 1.123 1.054 1.00 0.35 C ATOM 2038 O GLU A 132 -22.425 1.415 0.339 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.572 -1.210 0.630 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.414 -1.753 2.039 1.00 1.02 C ATOM 2041 CD GLU A 132 -21.740 -2.000 2.732 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -22.391 -1.020 3.144 1.00 2.04 O ATOM 2043 OE2 GLU A 132 -22.139 -3.175 2.875 1.00 1.41 O ATOM 0 H GLU A 132 -18.679 -0.003 1.781 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.244 0.525 -0.571 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -21.583 -1.423 0.284 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -19.890 -1.745 -0.030 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -19.851 -2.685 2.002 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -19.827 -1.049 2.630 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.393 1.511 2.326 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.410 2.386 2.901 1.00 0.36 C ATOM 2052 C LYS A 133 -22.197 3.822 2.431 1.00 0.37 C ATOM 2053 O LYS A 133 -23.154 4.555 2.187 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.429 2.301 4.435 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.080 2.506 5.103 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.200 2.651 6.615 1.00 0.66 C ATOM 2057 CE LYS A 133 -21.938 1.484 7.255 1.00 1.04 C ATOM 2058 NZ LYS A 133 -21.171 0.216 7.151 1.00 1.90 N ATOM 0 H LYS A 133 -20.650 1.238 2.969 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.385 2.047 2.550 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.125 3.048 4.817 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.818 1.325 4.726 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.430 1.662 4.872 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -20.605 3.396 4.691 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -20.203 2.729 7.050 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -21.723 3.579 6.848 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.128 1.707 8.305 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -22.908 1.361 6.774 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -21.744 -0.568 7.523 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -20.938 0.032 6.154 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -20.293 0.295 7.703 1.00 1.90 H new ATOM 2072 N ILE A 134 -20.935 4.206 2.285 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.579 5.486 1.687 1.00 0.34 C ATOM 2074 C ILE A 134 -21.115 5.565 0.265 1.00 0.39 C ATOM 2075 O ILE A 134 -21.651 6.589 -0.156 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.046 5.686 1.673 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.525 5.942 3.078 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -18.649 6.829 0.771 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.022 6.086 3.157 1.00 0.33 C ATOM 0 H ILE A 134 -20.135 3.644 2.575 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.026 6.276 2.291 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.602 4.769 1.286 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -18.988 6.849 3.467 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -18.836 5.122 3.725 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.565 6.943 0.784 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -18.980 6.621 -0.247 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.115 7.749 1.123 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -16.728 6.267 4.191 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.550 5.171 2.800 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -16.704 6.924 2.537 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.991 4.469 -0.468 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.460 4.422 -1.840 1.00 0.48 C ATOM 2093 C LEU A 135 -22.983 4.449 -1.914 1.00 0.58 C ATOM 2094 O LEU A 135 -23.547 4.754 -2.957 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.922 3.191 -2.558 1.00 0.51 C ATOM 2096 CG LEU A 135 -19.909 3.485 -3.657 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.502 2.199 -4.360 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.464 4.492 -4.651 1.00 1.37 C ATOM 0 H LEU A 135 -20.570 3.602 -0.134 1.00 0.38 H new ATOM 0 HA LEU A 135 -21.081 5.313 -2.341 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -20.459 2.532 -1.823 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -21.760 2.645 -2.992 1.00 0.51 H new ATOM 0 HG LEU A 135 -19.022 3.922 -3.198 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -18.778 2.426 -5.143 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -19.054 1.516 -3.638 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -20.382 1.733 -4.804 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -19.722 4.685 -5.426 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -21.369 4.092 -5.107 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -20.699 5.422 -4.134 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.648 4.125 -0.814 1.00 0.58 N ATOM 2111 CA LYS A 136 -25.098 4.266 -0.743 1.00 0.72 C ATOM 2112 C LYS A 136 -25.466 5.740 -0.655 1.00 0.77 C ATOM 2113 O LYS A 136 -26.528 6.161 -1.117 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.666 3.513 0.456 1.00 0.79 C ATOM 2115 CG LYS A 136 -25.465 2.011 0.389 1.00 1.26 C ATOM 2116 CD LYS A 136 -25.980 1.328 1.644 1.00 1.73 C ATOM 2117 CE LYS A 136 -25.805 -0.180 1.572 1.00 2.54 C ATOM 2118 NZ LYS A 136 -24.381 -0.572 1.410 1.00 3.36 N ATOM 0 H LYS A 136 -23.213 3.766 0.035 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.530 3.836 -1.647 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -25.199 3.892 1.365 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -26.733 3.724 0.533 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -25.982 1.611 -0.483 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -24.406 1.789 0.261 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -25.449 1.715 2.514 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -27.035 1.566 1.782 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -26.204 -0.634 2.479 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -26.385 -0.572 0.737 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -24.322 -1.437 0.836 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -23.862 0.194 0.936 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -23.961 -0.748 2.345 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.577 6.518 -0.058 1.00 0.70 N ATOM 2133 CA GLU A 137 -24.766 7.953 0.062 1.00 0.82 C ATOM 2134 C GLU A 137 -24.356 8.649 -1.232 1.00 0.87 C ATOM 2135 O GLU A 137 -25.022 9.574 -1.696 1.00 1.03 O ATOM 2136 CB GLU A 137 -23.942 8.495 1.228 1.00 0.82 C ATOM 2137 CG GLU A 137 -24.298 7.857 2.558 1.00 1.02 C ATOM 2138 CD GLU A 137 -23.377 8.284 3.679 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -22.329 7.636 3.872 1.00 2.28 O ATOM 2140 OE2 GLU A 137 -23.688 9.277 4.368 1.00 2.01 O ATOM 0 H GLU A 137 -23.710 6.174 0.354 1.00 0.70 H new ATOM 0 HA GLU A 137 -25.821 8.152 0.250 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -22.884 8.330 1.025 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -24.089 9.573 1.298 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -25.324 8.118 2.818 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.261 6.772 2.457 1.00 1.02 H new ATOM 2147 N GLN A 138 -23.254 8.189 -1.809 1.00 0.80 N ATOM 2148 CA GLN A 138 -22.717 8.780 -3.024 1.00 0.89 C ATOM 2149 C GLN A 138 -23.461 8.293 -4.261 1.00 1.04 C ATOM 2150 O GLN A 138 -24.116 9.080 -4.944 1.00 1.19 O ATOM 2151 CB GLN A 138 -21.231 8.461 -3.145 1.00 0.87 C ATOM 2152 CG GLN A 138 -20.416 9.041 -2.009 1.00 0.80 C ATOM 2153 CD GLN A 138 -20.337 10.558 -2.054 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -21.249 11.233 -2.534 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -19.249 11.107 -1.552 1.00 1.60 N ATOM 0 H GLN A 138 -22.712 7.403 -1.451 1.00 0.80 H new ATOM 0 HA GLN A 138 -22.852 9.860 -2.960 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -21.096 7.380 -3.169 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -20.856 8.850 -4.092 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -20.854 8.733 -1.060 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -19.408 8.628 -2.044 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -18.513 10.517 -1.162 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -19.143 12.121 -1.553 1.00 1.60 H new ATOM 2164 N GLU A 139 -23.364 6.989 -4.517 1.00 1.14 N ATOM 2165 CA GLU A 139 -23.968 6.350 -5.685 1.00 1.35 C ATOM 2166 C GLU A 139 -23.288 6.811 -6.970 1.00 1.86 C ATOM 2167 O GLU A 139 -23.706 7.843 -7.537 1.00 2.30 O ATOM 2168 CB GLU A 139 -25.474 6.620 -5.745 1.00 1.47 C ATOM 2169 CG GLU A 139 -26.211 6.215 -4.481 1.00 1.46 C ATOM 2170 CD GLU A 139 -27.693 6.481 -4.567 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -28.099 7.658 -4.450 1.00 2.99 O ATOM 2172 OE2 GLU A 139 -28.459 5.516 -4.758 1.00 1.94 O ATOM 2173 OXT GLU A 139 -22.332 6.138 -7.407 1.00 2.51 O ATOM 0 H GLU A 139 -22.859 6.340 -3.913 1.00 1.14 H new ATOM 0 HA GLU A 139 -23.822 5.274 -5.588 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -25.638 7.682 -5.928 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -25.898 6.082 -6.592 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -26.046 5.154 -4.292 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -25.796 6.759 -3.632 1.00 1.46 H new TER 2180 GLU A 139