USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 713 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 122 CYS SG : rot -139:sc= -3.73! USER MOD Set 1.2: A 123 ASN :FLIP amide:sc= 0 F(o=-4.7,f=-3.7) USER MOD Set 2.1: A 98 SER OG : rot 167:sc= 0 USER MOD Set 2.2: A 118 MET CE :methyl 143:sc= -0.428 (180deg=0) USER MOD Set 2.3: A 138 THR OG1 : rot -150:sc= 0 USER MOD Set 2.4: A 165 HIS : no HE2:sc= -2.31 K(o=-2.7,f=-3.9) USER MOD Set 3.1: A 90 SER OG : rot 107:sc= 0.0478 USER MOD Set 3.2: A 92 ASN : amide:sc= -0.303 K(o=-0.26,f=-2) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.493 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl -134:sc= -6.9! (180deg=-13.3!) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 71:sc= 0.52 USER MOD Single : A 141 HIS :FLIP no HD1:sc= -0.278 F(o=-1.2,f=-0.28) USER MOD Single : A 143 SER OG : rot 180:sc= -0.0895 USER MOD Single : A 146 ASN : amide:sc= 0.00812 X(o=0.0081,f=0) USER MOD Single : A 147 HIS :FLIP no HD1:sc= -0.822 F(o=-3.8!,f=-0.82) USER MOD Single : A 149 CYS SG : rot -171:sc= -5.43! USER MOD Single : A 150 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 THR OG1 : rot 50:sc= 0.195 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 86 0.467 -12.961 -31.637 1.00 30.53 N ATOM 2 CA GLY A 86 1.762 -12.315 -31.533 1.00 2.42 C ATOM 3 C GLY A 86 1.857 -11.396 -30.332 1.00 4.31 C ATOM 4 O GLY A 86 1.807 -10.171 -30.455 1.00 33.45 O ATOM 0 HA2 GLY A 86 2.540 -13.076 -31.467 1.00 2.42 H new ATOM 0 HA3 GLY A 86 1.953 -11.742 -32.441 1.00 2.42 H new ATOM 8 N PRO A 87 1.996 -11.989 -29.137 1.00 71.12 N ATOM 9 CA PRO A 87 2.100 -11.234 -27.885 1.00 43.14 C ATOM 10 C PRO A 87 3.419 -10.477 -27.772 1.00 72.12 C ATOM 11 O PRO A 87 4.344 -10.700 -28.555 1.00 32.50 O ATOM 12 CB PRO A 87 2.011 -12.318 -26.809 1.00 24.35 C ATOM 13 CG PRO A 87 2.491 -13.559 -27.480 1.00 61.01 C ATOM 14 CD PRO A 87 2.063 -13.444 -28.916 1.00 61.24 C ATOM 0 HA PRO A 87 1.327 -10.470 -27.804 1.00 43.14 H new ATOM 0 HB2 PRO A 87 2.629 -12.070 -25.946 1.00 24.35 H new ATOM 0 HB3 PRO A 87 0.989 -12.434 -26.447 1.00 24.35 H new ATOM 0 HG2 PRO A 87 3.574 -13.651 -27.402 1.00 61.01 H new ATOM 0 HG3 PRO A 87 2.061 -14.446 -27.014 1.00 61.01 H new ATOM 0 HD2 PRO A 87 2.778 -13.920 -29.588 1.00 61.24 H new ATOM 0 HD3 PRO A 87 1.098 -13.921 -29.087 1.00 61.24 H new ATOM 22 N LEU A 88 3.501 -9.582 -26.794 1.00 55.15 N ATOM 23 CA LEU A 88 4.708 -8.792 -26.578 1.00 65.34 C ATOM 24 C LEU A 88 5.223 -8.963 -25.153 1.00 41.02 C ATOM 25 O LEU A 88 4.527 -9.500 -24.291 1.00 4.33 O ATOM 26 CB LEU A 88 4.432 -7.314 -26.860 1.00 35.50 C ATOM 27 CG LEU A 88 3.236 -6.704 -26.127 1.00 65.43 C ATOM 28 CD1 LEU A 88 3.546 -5.281 -25.692 1.00 64.12 C ATOM 29 CD2 LEU A 88 1.996 -6.736 -27.010 1.00 2.54 C ATOM 0 H LEU A 88 2.746 -9.385 -26.138 1.00 55.15 H new ATOM 0 HA LEU A 88 5.474 -9.149 -27.266 1.00 65.34 H new ATOM 0 HB2 LEU A 88 5.323 -6.742 -26.600 1.00 35.50 H new ATOM 0 HB3 LEU A 88 4.277 -7.192 -27.932 1.00 35.50 H new ATOM 0 HG LEU A 88 3.038 -7.299 -25.236 1.00 65.43 H new ATOM 0 HD11 LEU A 88 2.684 -4.863 -25.172 1.00 64.12 H new ATOM 0 HD12 LEU A 88 4.406 -5.284 -25.023 1.00 64.12 H new ATOM 0 HD13 LEU A 88 3.771 -4.673 -26.569 1.00 64.12 H new ATOM 0 HD21 LEU A 88 1.155 -6.298 -26.472 1.00 2.54 H new ATOM 0 HD22 LEU A 88 2.182 -6.165 -27.920 1.00 2.54 H new ATOM 0 HD23 LEU A 88 1.762 -7.768 -27.271 1.00 2.54 H new ATOM 41 N GLY A 89 6.446 -8.501 -24.911 1.00 51.54 N ATOM 42 CA GLY A 89 7.032 -8.610 -23.588 1.00 53.24 C ATOM 43 C GLY A 89 7.109 -7.273 -22.877 1.00 30.42 C ATOM 44 O GLY A 89 7.339 -6.240 -23.505 1.00 0.25 O ATOM 0 H GLY A 89 7.041 -8.053 -25.608 1.00 51.54 H new ATOM 0 HA2 GLY A 89 6.442 -9.304 -22.989 1.00 53.24 H new ATOM 0 HA3 GLY A 89 8.033 -9.032 -23.671 1.00 53.24 H new ATOM 48 N SER A 90 6.915 -7.292 -21.561 1.00 63.34 N ATOM 49 CA SER A 90 6.959 -6.072 -20.764 1.00 54.12 C ATOM 50 C SER A 90 8.380 -5.784 -20.291 1.00 51.52 C ATOM 51 O SER A 90 9.314 -6.517 -20.613 1.00 22.31 O ATOM 52 CB SER A 90 6.022 -6.191 -19.561 1.00 11.21 C ATOM 53 OG SER A 90 6.398 -7.274 -18.727 1.00 15.41 O ATOM 0 H SER A 90 6.726 -8.139 -21.025 1.00 63.34 H new ATOM 0 HA SER A 90 6.629 -5.244 -21.392 1.00 54.12 H new ATOM 0 HB2 SER A 90 6.040 -5.264 -18.989 1.00 11.21 H new ATOM 0 HB3 SER A 90 4.998 -6.332 -19.906 1.00 11.21 H new ATOM 0 HG SER A 90 6.810 -6.928 -17.908 1.00 15.41 H new ATOM 59 N GLU A 91 8.534 -4.708 -19.524 1.00 63.14 N ATOM 60 CA GLU A 91 9.842 -4.321 -19.007 1.00 31.12 C ATOM 61 C GLU A 91 9.814 -4.212 -17.485 1.00 34.30 C ATOM 62 O GLU A 91 10.520 -3.393 -16.898 1.00 42.40 O ATOM 63 CB GLU A 91 10.282 -2.989 -19.618 1.00 21.44 C ATOM 64 CG GLU A 91 10.786 -3.111 -21.045 1.00 43.23 C ATOM 65 CD GLU A 91 11.696 -1.964 -21.442 1.00 43.34 C ATOM 66 OE1 GLU A 91 11.176 -0.859 -21.702 1.00 45.41 O ATOM 67 OE2 GLU A 91 12.926 -2.172 -21.494 1.00 53.42 O ATOM 0 H GLU A 91 7.771 -4.090 -19.248 1.00 63.14 H new ATOM 0 HA GLU A 91 10.559 -5.094 -19.285 1.00 31.12 H new ATOM 0 HB2 GLU A 91 9.442 -2.294 -19.596 1.00 21.44 H new ATOM 0 HB3 GLU A 91 11.069 -2.558 -18.999 1.00 21.44 H new ATOM 0 HG2 GLU A 91 11.324 -4.052 -21.157 1.00 43.23 H new ATOM 0 HG3 GLU A 91 9.935 -3.147 -21.725 1.00 43.23 H new ATOM 74 N ASN A 92 8.992 -5.044 -16.853 1.00 22.24 N ATOM 75 CA ASN A 92 8.871 -5.040 -15.400 1.00 20.23 C ATOM 76 C ASN A 92 9.945 -5.916 -14.762 1.00 61.52 C ATOM 77 O ASN A 92 10.170 -7.049 -15.188 1.00 10.12 O ATOM 78 CB ASN A 92 7.483 -5.530 -14.981 1.00 53.35 C ATOM 79 CG ASN A 92 7.377 -7.043 -14.989 1.00 44.45 C ATOM 80 OD1 ASN A 92 7.734 -7.697 -15.969 1.00 42.33 O ATOM 81 ND2 ASN A 92 6.885 -7.607 -13.892 1.00 51.54 N ATOM 0 H ASN A 92 8.401 -5.729 -17.324 1.00 22.24 H new ATOM 0 HA ASN A 92 9.008 -4.016 -15.052 1.00 20.23 H new ATOM 0 HB2 ASN A 92 7.256 -5.158 -13.982 1.00 53.35 H new ATOM 0 HB3 ASN A 92 6.735 -5.113 -15.655 1.00 53.35 H new ATOM 0 HD21 ASN A 92 6.791 -8.621 -13.838 1.00 51.54 H new ATOM 0 HD22 ASN A 92 6.602 -7.026 -13.103 1.00 51.54 H new ATOM 88 N ARG A 93 10.604 -5.384 -13.738 1.00 20.24 N ATOM 89 CA ARG A 93 11.655 -6.117 -13.042 1.00 74.30 C ATOM 90 C ARG A 93 11.547 -5.919 -11.533 1.00 22.13 C ATOM 91 O ARG A 93 11.361 -6.877 -10.782 1.00 72.31 O ATOM 92 CB ARG A 93 13.032 -5.663 -13.530 1.00 30.41 C ATOM 93 CG ARG A 93 13.759 -6.708 -14.361 1.00 32.14 C ATOM 94 CD ARG A 93 15.159 -6.248 -14.733 1.00 2.42 C ATOM 95 NE ARG A 93 16.085 -7.369 -14.870 1.00 41.41 N ATOM 96 CZ ARG A 93 17.398 -7.224 -15.014 1.00 60.45 C ATOM 97 NH1 ARG A 93 17.936 -6.012 -15.038 1.00 62.33 N ATOM 98 NH2 ARG A 93 18.175 -8.293 -15.133 1.00 54.11 N ATOM 0 H ARG A 93 10.429 -4.448 -13.372 1.00 20.24 H new ATOM 0 HA ARG A 93 11.531 -7.177 -13.262 1.00 74.30 H new ATOM 0 HB2 ARG A 93 12.917 -4.755 -14.123 1.00 30.41 H new ATOM 0 HB3 ARG A 93 13.647 -5.405 -12.668 1.00 30.41 H new ATOM 0 HG2 ARG A 93 13.818 -7.642 -13.802 1.00 32.14 H new ATOM 0 HG3 ARG A 93 13.190 -6.914 -15.267 1.00 32.14 H new ATOM 0 HD2 ARG A 93 15.121 -5.693 -15.670 1.00 2.42 H new ATOM 0 HD3 ARG A 93 15.530 -5.563 -13.971 1.00 2.42 H new ATOM 0 HE ARG A 93 15.703 -8.315 -14.854 1.00 41.41 H new ATOM 0 HH11 ARG A 93 17.342 -5.188 -14.946 1.00 62.33 H new ATOM 0 HH12 ARG A 93 18.944 -5.904 -15.149 1.00 62.33 H new ATOM 0 HH21 ARG A 93 17.764 -9.227 -15.114 1.00 54.11 H new ATOM 0 HH22 ARG A 93 19.183 -8.181 -15.244 1.00 54.11 H new ATOM 112 N SER A 94 11.667 -4.669 -11.095 1.00 72.31 N ATOM 113 CA SER A 94 11.587 -4.346 -9.675 1.00 63.13 C ATOM 114 C SER A 94 11.029 -2.941 -9.469 1.00 21.24 C ATOM 115 O SER A 94 10.195 -2.715 -8.591 1.00 1.44 O ATOM 116 CB SER A 94 12.968 -4.459 -9.027 1.00 10.14 C ATOM 117 OG SER A 94 12.982 -3.850 -7.747 1.00 11.03 O ATOM 0 H SER A 94 11.820 -3.864 -11.703 1.00 72.31 H new ATOM 0 HA SER A 94 10.912 -5.059 -9.202 1.00 63.13 H new ATOM 0 HB2 SER A 94 13.246 -5.509 -8.937 1.00 10.14 H new ATOM 0 HB3 SER A 94 13.713 -3.986 -9.667 1.00 10.14 H new ATOM 0 HG SER A 94 13.875 -3.937 -7.353 1.00 11.03 H new ATOM 123 N LYS A 95 11.494 -2.001 -10.283 1.00 2.21 N ATOM 124 CA LYS A 95 11.042 -0.618 -10.193 1.00 4.05 C ATOM 125 C LYS A 95 11.401 -0.015 -8.838 1.00 60.04 C ATOM 126 O LYS A 95 12.074 -0.648 -8.024 1.00 34.24 O ATOM 127 CB LYS A 95 9.530 -0.538 -10.414 1.00 23.41 C ATOM 128 CG LYS A 95 9.108 0.597 -11.331 1.00 34.42 C ATOM 129 CD LYS A 95 7.865 0.238 -12.128 1.00 63.33 C ATOM 130 CE LYS A 95 8.212 -0.147 -13.558 1.00 63.12 C ATOM 131 NZ LYS A 95 7.491 -1.374 -13.993 1.00 70.42 N ATOM 0 H LYS A 95 12.185 -2.172 -11.014 1.00 2.21 H new ATOM 0 HA LYS A 95 11.547 -0.046 -10.971 1.00 4.05 H new ATOM 0 HB2 LYS A 95 9.182 -1.482 -10.834 1.00 23.41 H new ATOM 0 HB3 LYS A 95 9.036 -0.417 -9.450 1.00 23.41 H new ATOM 0 HG2 LYS A 95 8.916 1.492 -10.739 1.00 34.42 H new ATOM 0 HG3 LYS A 95 9.923 0.836 -12.014 1.00 34.42 H new ATOM 0 HD2 LYS A 95 7.347 -0.589 -11.643 1.00 63.33 H new ATOM 0 HD3 LYS A 95 7.178 1.085 -12.134 1.00 63.33 H new ATOM 0 HE2 LYS A 95 7.962 0.677 -14.227 1.00 63.12 H new ATOM 0 HE3 LYS A 95 9.287 -0.309 -13.640 1.00 63.12 H new ATOM 0 HZ1 LYS A 95 7.755 -1.603 -14.973 1.00 70.42 H new ATOM 0 HZ2 LYS A 95 7.748 -2.167 -13.371 1.00 70.42 H new ATOM 0 HZ3 LYS A 95 6.465 -1.211 -13.940 1.00 70.42 H new ATOM 145 N THR A 96 10.946 1.211 -8.601 1.00 45.35 N ATOM 146 CA THR A 96 11.219 1.899 -7.346 1.00 65.21 C ATOM 147 C THR A 96 9.988 2.650 -6.852 1.00 12.44 C ATOM 148 O THR A 96 10.086 3.524 -5.988 1.00 74.52 O ATOM 149 CB THR A 96 12.389 2.891 -7.491 1.00 20.11 C ATOM 150 OG1 THR A 96 12.728 3.439 -6.212 1.00 33.32 O ATOM 151 CG2 THR A 96 12.029 4.015 -8.451 1.00 33.14 C ATOM 0 H THR A 96 10.386 1.748 -9.263 1.00 45.35 H new ATOM 0 HA THR A 96 11.490 1.134 -6.619 1.00 65.21 H new ATOM 0 HB THR A 96 13.247 2.352 -7.893 1.00 20.11 H new ATOM 0 HG1 THR A 96 13.473 4.068 -6.312 1.00 33.32 H new ATOM 0 HG21 THR A 96 12.870 4.703 -8.538 1.00 33.14 H new ATOM 0 HG22 THR A 96 11.800 3.597 -9.431 1.00 33.14 H new ATOM 0 HG23 THR A 96 11.159 4.552 -8.073 1.00 33.14 H new ATOM 159 N THR A 97 8.829 2.307 -7.404 1.00 72.34 N ATOM 160 CA THR A 97 7.579 2.948 -7.019 1.00 54.55 C ATOM 161 C THR A 97 6.380 2.080 -7.383 1.00 60.00 C ATOM 162 O THR A 97 6.245 1.638 -8.524 1.00 53.31 O ATOM 163 CB THR A 97 7.424 4.325 -7.694 1.00 11.44 C ATOM 164 OG1 THR A 97 8.002 4.298 -9.004 1.00 22.35 O ATOM 165 CG2 THR A 97 8.090 5.412 -6.863 1.00 53.03 C ATOM 0 H THR A 97 8.730 1.588 -8.120 1.00 72.34 H new ATOM 0 HA THR A 97 7.612 3.081 -5.938 1.00 54.55 H new ATOM 0 HB THR A 97 6.360 4.549 -7.772 1.00 11.44 H new ATOM 0 HG1 THR A 97 7.897 5.176 -9.426 1.00 22.35 H new ATOM 0 HG21 THR A 97 7.968 6.375 -7.359 1.00 53.03 H new ATOM 0 HG22 THR A 97 7.628 5.450 -5.877 1.00 53.03 H new ATOM 0 HG23 THR A 97 9.152 5.190 -6.758 1.00 53.03 H new ATOM 173 N SER A 98 5.511 1.840 -6.406 1.00 53.54 N ATOM 174 CA SER A 98 4.324 1.021 -6.623 1.00 43.51 C ATOM 175 C SER A 98 3.070 1.888 -6.685 1.00 45.24 C ATOM 176 O SER A 98 2.997 2.941 -6.052 1.00 12.35 O ATOM 177 CB SER A 98 4.185 -0.018 -5.511 1.00 34.44 C ATOM 178 OG SER A 98 5.452 -0.515 -5.115 1.00 12.22 O ATOM 0 H SER A 98 5.607 2.201 -5.457 1.00 53.54 H new ATOM 0 HA SER A 98 4.437 0.507 -7.578 1.00 43.51 H new ATOM 0 HB2 SER A 98 3.682 0.428 -4.653 1.00 34.44 H new ATOM 0 HB3 SER A 98 3.559 -0.842 -5.855 1.00 34.44 H new ATOM 0 HG SER A 98 5.361 -1.010 -4.274 1.00 12.22 H new ATOM 184 N THR A 99 2.083 1.437 -7.454 1.00 11.14 N ATOM 185 CA THR A 99 0.832 2.170 -7.600 1.00 32.11 C ATOM 186 C THR A 99 -0.361 1.223 -7.619 1.00 34.43 C ATOM 187 O THR A 99 -0.312 0.159 -8.237 1.00 31.42 O ATOM 188 CB THR A 99 0.823 3.014 -8.889 1.00 31.14 C ATOM 189 OG1 THR A 99 2.010 3.813 -8.959 1.00 54.44 O ATOM 190 CG2 THR A 99 -0.403 3.912 -8.939 1.00 13.30 C ATOM 0 H THR A 99 2.127 0.567 -7.985 1.00 11.14 H new ATOM 0 HA THR A 99 0.752 2.833 -6.739 1.00 32.11 H new ATOM 0 HB THR A 99 0.791 2.336 -9.742 1.00 31.14 H new ATOM 0 HG1 THR A 99 1.998 4.345 -9.782 1.00 54.44 H new ATOM 0 HG21 THR A 99 -0.387 4.498 -9.858 1.00 13.30 H new ATOM 0 HG22 THR A 99 -1.304 3.299 -8.915 1.00 13.30 H new ATOM 0 HG23 THR A 99 -0.398 4.583 -8.080 1.00 13.30 H new ATOM 198 N TRP A 100 -1.432 1.614 -6.938 1.00 13.32 N ATOM 199 CA TRP A 100 -2.640 0.799 -6.877 1.00 13.40 C ATOM 200 C TRP A 100 -3.879 1.637 -7.176 1.00 40.01 C ATOM 201 O TRP A 100 -4.042 2.733 -6.641 1.00 34.44 O ATOM 202 CB TRP A 100 -2.771 0.147 -5.500 1.00 63.31 C ATOM 203 CG TRP A 100 -1.603 -0.722 -5.140 1.00 71.04 C ATOM 204 CD1 TRP A 100 -1.405 -2.022 -5.508 1.00 12.22 C ATOM 205 CD2 TRP A 100 -0.473 -0.352 -4.341 1.00 53.13 C ATOM 206 NE1 TRP A 100 -0.221 -2.483 -4.986 1.00 1.12 N ATOM 207 CE2 TRP A 100 0.370 -1.478 -4.267 1.00 2.21 C ATOM 208 CE3 TRP A 100 -0.093 0.820 -3.684 1.00 44.34 C ATOM 209 CZ2 TRP A 100 1.569 -1.463 -3.560 1.00 24.02 C ATOM 210 CZ3 TRP A 100 1.098 0.833 -2.983 1.00 44.20 C ATOM 211 CH2 TRP A 100 1.918 -0.301 -2.925 1.00 64.34 C ATOM 0 H TRP A 100 -1.489 2.491 -6.420 1.00 13.32 H new ATOM 0 HA TRP A 100 -2.560 0.019 -7.635 1.00 13.40 H new ATOM 0 HB2 TRP A 100 -2.881 0.926 -4.746 1.00 63.31 H new ATOM 0 HB3 TRP A 100 -3.682 -0.452 -5.475 1.00 63.31 H new ATOM 0 HD1 TRP A 100 -2.080 -2.602 -6.120 1.00 12.22 H new ATOM 0 HE1 TRP A 100 0.157 -3.422 -5.113 1.00 1.12 H new ATOM 0 HE3 TRP A 100 -0.718 1.700 -3.723 1.00 44.34 H new ATOM 0 HZ2 TRP A 100 2.202 -2.337 -3.514 1.00 24.02 H new ATOM 0 HZ3 TRP A 100 1.402 1.734 -2.471 1.00 44.20 H new ATOM 0 HH2 TRP A 100 2.843 -0.258 -2.369 1.00 64.34 H new ATOM 222 N VAL A 101 -4.748 1.114 -8.034 1.00 35.21 N ATOM 223 CA VAL A 101 -5.974 1.814 -8.402 1.00 62.05 C ATOM 224 C VAL A 101 -7.204 1.079 -7.883 1.00 34.25 C ATOM 225 O VAL A 101 -7.496 -0.040 -8.305 1.00 72.24 O ATOM 226 CB VAL A 101 -6.091 1.972 -9.930 1.00 53.42 C ATOM 227 CG1 VAL A 101 -7.260 2.880 -10.285 1.00 25.43 C ATOM 228 CG2 VAL A 101 -4.793 2.512 -10.510 1.00 44.03 C ATOM 0 H VAL A 101 -4.627 0.208 -8.488 1.00 35.21 H new ATOM 0 HA VAL A 101 -5.925 2.802 -7.943 1.00 62.05 H new ATOM 0 HB VAL A 101 -6.278 0.991 -10.366 1.00 53.42 H new ATOM 0 HG11 VAL A 101 -7.327 2.980 -11.368 1.00 25.43 H new ATOM 0 HG12 VAL A 101 -8.185 2.449 -9.902 1.00 25.43 H new ATOM 0 HG13 VAL A 101 -7.106 3.863 -9.839 1.00 25.43 H new ATOM 0 HG21 VAL A 101 -4.893 2.617 -11.590 1.00 44.03 H new ATOM 0 HG22 VAL A 101 -4.574 3.485 -10.069 1.00 44.03 H new ATOM 0 HG23 VAL A 101 -3.980 1.821 -10.287 1.00 44.03 H new ATOM 238 N LEU A 102 -7.923 1.716 -6.964 1.00 42.13 N ATOM 239 CA LEU A 102 -9.123 1.123 -6.386 1.00 73.23 C ATOM 240 C LEU A 102 -10.208 2.177 -6.184 1.00 25.51 C ATOM 241 O LEU A 102 -9.913 3.336 -5.890 1.00 60.33 O ATOM 242 CB LEU A 102 -8.793 0.452 -5.052 1.00 22.50 C ATOM 243 CG LEU A 102 -8.453 1.391 -3.894 1.00 73.24 C ATOM 244 CD1 LEU A 102 -9.160 0.947 -2.623 1.00 11.35 C ATOM 245 CD2 LEU A 102 -6.948 1.447 -3.678 1.00 13.31 C ATOM 0 H LEU A 102 -7.695 2.643 -6.604 1.00 42.13 H new ATOM 0 HA LEU A 102 -9.497 0.371 -7.081 1.00 73.23 H new ATOM 0 HB2 LEU A 102 -9.644 -0.163 -4.757 1.00 22.50 H new ATOM 0 HB3 LEU A 102 -7.951 -0.222 -5.206 1.00 22.50 H new ATOM 0 HG LEU A 102 -8.801 2.392 -4.148 1.00 73.24 H new ATOM 0 HD11 LEU A 102 -8.907 1.627 -1.809 1.00 11.35 H new ATOM 0 HD12 LEU A 102 -10.238 0.959 -2.783 1.00 11.35 H new ATOM 0 HD13 LEU A 102 -8.843 -0.063 -2.364 1.00 11.35 H new ATOM 0 HD21 LEU A 102 -6.724 2.120 -2.850 1.00 13.31 H new ATOM 0 HD22 LEU A 102 -6.576 0.449 -3.445 1.00 13.31 H new ATOM 0 HD23 LEU A 102 -6.464 1.812 -4.584 1.00 13.31 H new ATOM 257 N ARG A 103 -11.462 1.766 -6.339 1.00 43.55 N ATOM 258 CA ARG A 103 -12.589 2.674 -6.173 1.00 13.43 C ATOM 259 C ARG A 103 -12.820 2.990 -4.698 1.00 41.34 C ATOM 260 O ARG A 103 -13.542 2.273 -4.004 1.00 33.11 O ATOM 261 CB ARG A 103 -13.856 2.066 -6.780 1.00 11.33 C ATOM 262 CG ARG A 103 -13.929 2.196 -8.292 1.00 54.12 C ATOM 263 CD ARG A 103 -15.110 3.055 -8.720 1.00 63.34 C ATOM 264 NE ARG A 103 -15.661 2.627 -10.004 1.00 25.44 N ATOM 265 CZ ARG A 103 -16.478 1.589 -10.143 1.00 52.23 C ATOM 266 NH1 ARG A 103 -16.839 0.878 -9.084 1.00 54.40 N ATOM 267 NH2 ARG A 103 -16.938 1.262 -11.344 1.00 74.11 N ATOM 0 H ARG A 103 -11.723 0.810 -6.579 1.00 43.55 H new ATOM 0 HA ARG A 103 -12.355 3.602 -6.694 1.00 13.43 H new ATOM 0 HB2 ARG A 103 -13.907 1.011 -6.512 1.00 11.33 H new ATOM 0 HB3 ARG A 103 -14.728 2.550 -6.340 1.00 11.33 H new ATOM 0 HG2 ARG A 103 -13.004 2.635 -8.666 1.00 54.12 H new ATOM 0 HG3 ARG A 103 -14.016 1.206 -8.740 1.00 54.12 H new ATOM 0 HD2 ARG A 103 -15.888 3.008 -7.958 1.00 63.34 H new ATOM 0 HD3 ARG A 103 -14.795 4.096 -8.790 1.00 63.34 H new ATOM 0 HE ARG A 103 -15.404 3.154 -10.839 1.00 25.44 H new ATOM 0 HH11 ARG A 103 -16.489 1.127 -8.159 1.00 54.40 H new ATOM 0 HH12 ARG A 103 -17.467 0.082 -9.194 1.00 54.40 H new ATOM 0 HH21 ARG A 103 -16.664 1.808 -12.161 1.00 74.11 H new ATOM 0 HH22 ARG A 103 -17.565 0.465 -11.450 1.00 74.11 H new ATOM 281 N LEU A 104 -12.201 4.066 -4.225 1.00 50.22 N ATOM 282 CA LEU A 104 -12.338 4.477 -2.832 1.00 70.42 C ATOM 283 C LEU A 104 -12.862 5.906 -2.735 1.00 13.14 C ATOM 284 O LEU A 104 -12.655 6.716 -3.639 1.00 12.04 O ATOM 285 CB LEU A 104 -10.993 4.364 -2.113 1.00 34.04 C ATOM 286 CG LEU A 104 -11.052 3.966 -0.638 1.00 34.53 C ATOM 287 CD1 LEU A 104 -9.941 2.982 -0.305 1.00 63.33 C ATOM 288 CD2 LEU A 104 -10.961 5.197 0.252 1.00 60.30 C ATOM 0 H LEU A 104 -11.599 4.670 -4.785 1.00 50.22 H new ATOM 0 HA LEU A 104 -13.057 3.813 -2.351 1.00 70.42 H new ATOM 0 HB2 LEU A 104 -10.381 3.633 -2.642 1.00 34.04 H new ATOM 0 HB3 LEU A 104 -10.481 5.323 -2.190 1.00 34.04 H new ATOM 0 HG LEU A 104 -12.009 3.478 -0.452 1.00 34.53 H new ATOM 0 HD11 LEU A 104 -9.999 2.710 0.749 1.00 63.33 H new ATOM 0 HD12 LEU A 104 -10.052 2.087 -0.917 1.00 63.33 H new ATOM 0 HD13 LEU A 104 -8.974 3.443 -0.508 1.00 63.33 H new ATOM 0 HD21 LEU A 104 -11.005 4.894 1.298 1.00 60.30 H new ATOM 0 HD22 LEU A 104 -10.020 5.714 0.063 1.00 60.30 H new ATOM 0 HD23 LEU A 104 -11.793 5.866 0.033 1.00 60.30 H new ATOM 300 N ASP A 105 -13.539 6.208 -1.633 1.00 53.11 N ATOM 301 CA ASP A 105 -14.090 7.541 -1.415 1.00 51.30 C ATOM 302 C ASP A 105 -15.171 7.856 -2.444 1.00 51.32 C ATOM 303 O ASP A 105 -15.567 9.009 -2.610 1.00 1.53 O ATOM 304 CB ASP A 105 -12.981 8.592 -1.484 1.00 24.33 C ATOM 305 CG ASP A 105 -12.765 9.295 -0.158 1.00 24.52 C ATOM 306 OD1 ASP A 105 -13.603 10.144 0.206 1.00 12.51 O ATOM 307 OD2 ASP A 105 -11.757 8.993 0.516 1.00 51.32 O ATOM 0 H ASP A 105 -13.720 5.548 -0.876 1.00 53.11 H new ATOM 0 HA ASP A 105 -14.540 7.564 -0.423 1.00 51.30 H new ATOM 0 HB2 ASP A 105 -12.051 8.115 -1.794 1.00 24.33 H new ATOM 0 HB3 ASP A 105 -13.231 9.330 -2.246 1.00 24.33 H new ATOM 312 N GLY A 106 -15.644 6.823 -3.134 1.00 31.45 N ATOM 313 CA GLY A 106 -16.674 7.011 -4.138 1.00 53.35 C ATOM 314 C GLY A 106 -16.100 7.311 -5.509 1.00 1.11 C ATOM 315 O GLY A 106 -16.843 7.506 -6.471 1.00 3.12 O ATOM 0 H GLY A 106 -15.332 5.859 -3.015 1.00 31.45 H new ATOM 0 HA2 GLY A 106 -17.290 6.114 -4.194 1.00 53.35 H new ATOM 0 HA3 GLY A 106 -17.328 7.829 -3.835 1.00 53.35 H new ATOM 319 N GLU A 107 -14.773 7.350 -5.597 1.00 74.45 N ATOM 320 CA GLU A 107 -14.102 7.631 -6.860 1.00 45.15 C ATOM 321 C GLU A 107 -12.870 6.745 -7.031 1.00 13.02 C ATOM 322 O GLU A 107 -12.484 6.019 -6.115 1.00 23.04 O ATOM 323 CB GLU A 107 -13.696 9.105 -6.931 1.00 22.21 C ATOM 324 CG GLU A 107 -14.508 9.913 -7.929 1.00 75.24 C ATOM 325 CD GLU A 107 -13.949 11.305 -8.145 1.00 13.45 C ATOM 326 OE1 GLU A 107 -12.773 11.417 -8.549 1.00 52.42 O ATOM 327 OE2 GLU A 107 -14.688 12.284 -7.909 1.00 74.20 O ATOM 0 H GLU A 107 -14.144 7.191 -4.810 1.00 74.45 H new ATOM 0 HA GLU A 107 -14.800 7.414 -7.668 1.00 45.15 H new ATOM 0 HB2 GLU A 107 -13.804 9.551 -5.942 1.00 22.21 H new ATOM 0 HB3 GLU A 107 -12.641 9.170 -7.197 1.00 22.21 H new ATOM 0 HG2 GLU A 107 -14.535 9.385 -8.882 1.00 75.24 H new ATOM 0 HG3 GLU A 107 -15.537 9.989 -7.577 1.00 75.24 H new ATOM 334 N ASP A 108 -12.261 6.811 -8.209 1.00 23.11 N ATOM 335 CA ASP A 108 -11.073 6.015 -8.500 1.00 15.14 C ATOM 336 C ASP A 108 -9.879 6.502 -7.685 1.00 0.33 C ATOM 337 O ASP A 108 -9.101 7.340 -8.143 1.00 64.13 O ATOM 338 CB ASP A 108 -10.746 6.076 -9.992 1.00 43.44 C ATOM 339 CG ASP A 108 -11.628 5.159 -10.817 1.00 31.42 C ATOM 340 OD1 ASP A 108 -12.789 5.533 -11.081 1.00 50.11 O ATOM 341 OD2 ASP A 108 -11.157 4.066 -11.196 1.00 14.13 O ATOM 0 H ASP A 108 -12.569 7.406 -8.978 1.00 23.11 H new ATOM 0 HA ASP A 108 -11.282 4.982 -8.223 1.00 15.14 H new ATOM 0 HB2 ASP A 108 -10.862 7.101 -10.345 1.00 43.44 H new ATOM 0 HB3 ASP A 108 -9.702 5.803 -10.143 1.00 43.44 H new ATOM 346 N LEU A 109 -9.741 5.973 -6.474 1.00 12.34 N ATOM 347 CA LEU A 109 -8.643 6.355 -5.593 1.00 44.42 C ATOM 348 C LEU A 109 -7.321 5.776 -6.088 1.00 74.01 C ATOM 349 O LEU A 109 -7.211 4.574 -6.329 1.00 23.04 O ATOM 350 CB LEU A 109 -8.918 5.878 -4.166 1.00 1.33 C ATOM 351 CG LEU A 109 -8.072 6.525 -3.067 1.00 52.11 C ATOM 352 CD1 LEU A 109 -8.940 7.388 -2.164 1.00 44.12 C ATOM 353 CD2 LEU A 109 -7.349 5.460 -2.256 1.00 34.25 C ATOM 0 H LEU A 109 -10.376 5.278 -6.080 1.00 12.34 H new ATOM 0 HA LEU A 109 -8.568 7.442 -5.598 1.00 44.42 H new ATOM 0 HB2 LEU A 109 -9.969 6.057 -3.941 1.00 1.33 H new ATOM 0 HB3 LEU A 109 -8.763 4.800 -4.129 1.00 1.33 H new ATOM 0 HG LEU A 109 -7.325 7.165 -3.538 1.00 52.11 H new ATOM 0 HD11 LEU A 109 -8.322 7.840 -1.389 1.00 44.12 H new ATOM 0 HD12 LEU A 109 -9.412 8.173 -2.755 1.00 44.12 H new ATOM 0 HD13 LEU A 109 -9.709 6.770 -1.700 1.00 44.12 H new ATOM 0 HD21 LEU A 109 -6.752 5.937 -1.479 1.00 34.25 H new ATOM 0 HD22 LEU A 109 -8.080 4.795 -1.795 1.00 34.25 H new ATOM 0 HD23 LEU A 109 -6.697 4.884 -2.912 1.00 34.25 H new ATOM 365 N ARG A 110 -6.322 6.639 -6.238 1.00 31.00 N ATOM 366 CA ARG A 110 -5.007 6.213 -6.703 1.00 75.44 C ATOM 367 C ARG A 110 -3.992 6.240 -5.565 1.00 32.52 C ATOM 368 O ARG A 110 -3.704 7.296 -5.000 1.00 73.13 O ATOM 369 CB ARG A 110 -4.532 7.111 -7.846 1.00 3.33 C ATOM 370 CG ARG A 110 -3.715 6.379 -8.897 1.00 42.01 C ATOM 371 CD ARG A 110 -4.013 6.897 -10.296 1.00 33.51 C ATOM 372 NE ARG A 110 -2.884 6.705 -11.203 1.00 72.11 N ATOM 373 CZ ARG A 110 -2.988 6.755 -12.526 1.00 11.34 C ATOM 374 NH1 ARG A 110 -4.164 6.990 -13.094 1.00 24.13 N ATOM 375 NH2 ARG A 110 -1.914 6.572 -13.284 1.00 55.12 N ATOM 0 H ARG A 110 -6.398 7.638 -6.044 1.00 31.00 H new ATOM 0 HA ARG A 110 -5.092 5.189 -7.066 1.00 75.44 H new ATOM 0 HB2 ARG A 110 -5.400 7.565 -8.324 1.00 3.33 H new ATOM 0 HB3 ARG A 110 -3.933 7.923 -7.434 1.00 3.33 H new ATOM 0 HG2 ARG A 110 -2.653 6.499 -8.682 1.00 42.01 H new ATOM 0 HG3 ARG A 110 -3.932 5.312 -8.849 1.00 42.01 H new ATOM 0 HD2 ARG A 110 -4.889 6.384 -10.694 1.00 33.51 H new ATOM 0 HD3 ARG A 110 -4.261 7.957 -10.245 1.00 33.51 H new ATOM 0 HE ARG A 110 -1.966 6.523 -10.798 1.00 72.11 H new ATOM 0 HH11 ARG A 110 -4.991 7.133 -12.514 1.00 24.13 H new ATOM 0 HH12 ARG A 110 -4.241 7.028 -14.110 1.00 24.13 H new ATOM 0 HH21 ARG A 110 -1.008 6.393 -12.850 1.00 55.12 H new ATOM 0 HH22 ARG A 110 -1.994 6.610 -14.300 1.00 55.12 H new ATOM 389 N VAL A 111 -3.453 5.072 -5.232 1.00 70.41 N ATOM 390 CA VAL A 111 -2.470 4.960 -4.161 1.00 2.42 C ATOM 391 C VAL A 111 -1.074 4.708 -4.721 1.00 61.21 C ATOM 392 O VAL A 111 -0.914 4.036 -5.740 1.00 52.24 O ATOM 393 CB VAL A 111 -2.831 3.828 -3.182 1.00 1.15 C ATOM 394 CG1 VAL A 111 -2.659 4.290 -1.743 1.00 51.52 C ATOM 395 CG2 VAL A 111 -4.252 3.344 -3.428 1.00 51.13 C ATOM 0 H VAL A 111 -3.681 4.189 -5.689 1.00 70.41 H new ATOM 0 HA VAL A 111 -2.478 5.909 -3.624 1.00 2.42 H new ATOM 0 HB VAL A 111 -2.152 2.993 -3.354 1.00 1.15 H new ATOM 0 HG11 VAL A 111 -2.919 3.476 -1.066 1.00 51.52 H new ATOM 0 HG12 VAL A 111 -1.623 4.583 -1.577 1.00 51.52 H new ATOM 0 HG13 VAL A 111 -3.312 5.142 -1.554 1.00 51.52 H new ATOM 0 HG21 VAL A 111 -4.490 2.544 -2.727 1.00 51.13 H new ATOM 0 HG22 VAL A 111 -4.948 4.171 -3.285 1.00 51.13 H new ATOM 0 HG23 VAL A 111 -4.338 2.970 -4.448 1.00 51.13 H new ATOM 405 N VAL A 112 -0.065 5.250 -4.047 1.00 1.13 N ATOM 406 CA VAL A 112 1.318 5.082 -4.475 1.00 62.14 C ATOM 407 C VAL A 112 2.226 4.762 -3.292 1.00 50.21 C ATOM 408 O VAL A 112 1.940 5.145 -2.157 1.00 24.21 O ATOM 409 CB VAL A 112 1.843 6.344 -5.185 1.00 3.11 C ATOM 410 CG1 VAL A 112 3.217 6.086 -5.786 1.00 2.34 C ATOM 411 CG2 VAL A 112 0.862 6.802 -6.253 1.00 33.40 C ATOM 0 H VAL A 112 -0.180 5.809 -3.202 1.00 1.13 H new ATOM 0 HA VAL A 112 1.333 4.247 -5.176 1.00 62.14 H new ATOM 0 HB VAL A 112 1.939 7.141 -4.448 1.00 3.11 H new ATOM 0 HG11 VAL A 112 3.572 6.989 -6.283 1.00 2.34 H new ATOM 0 HG12 VAL A 112 3.914 5.810 -4.995 1.00 2.34 H new ATOM 0 HG13 VAL A 112 3.151 5.275 -6.511 1.00 2.34 H new ATOM 0 HG21 VAL A 112 1.249 7.695 -6.744 1.00 33.40 H new ATOM 0 HG22 VAL A 112 0.731 6.010 -6.990 1.00 33.40 H new ATOM 0 HG23 VAL A 112 -0.099 7.030 -5.791 1.00 33.40 H new ATOM 421 N LEU A 113 3.320 4.060 -3.566 1.00 33.10 N ATOM 422 CA LEU A 113 4.270 3.689 -2.523 1.00 5.02 C ATOM 423 C LEU A 113 5.698 4.021 -2.945 1.00 13.41 C ATOM 424 O LEU A 113 6.321 3.275 -3.700 1.00 3.42 O ATOM 425 CB LEU A 113 4.154 2.197 -2.207 1.00 65.52 C ATOM 426 CG LEU A 113 5.252 1.612 -1.318 1.00 33.10 C ATOM 427 CD1 LEU A 113 5.572 2.560 -0.172 1.00 64.12 C ATOM 428 CD2 LEU A 113 4.836 0.248 -0.784 1.00 40.21 C ATOM 0 H LEU A 113 3.571 3.737 -4.500 1.00 33.10 H new ATOM 0 HA LEU A 113 4.032 4.263 -1.628 1.00 5.02 H new ATOM 0 HB2 LEU A 113 3.192 2.022 -1.725 1.00 65.52 H new ATOM 0 HB3 LEU A 113 4.144 1.646 -3.148 1.00 65.52 H new ATOM 0 HG LEU A 113 6.152 1.485 -1.920 1.00 33.10 H new ATOM 0 HD11 LEU A 113 6.355 2.127 0.450 1.00 64.12 H new ATOM 0 HD12 LEU A 113 5.913 3.514 -0.574 1.00 64.12 H new ATOM 0 HD13 LEU A 113 4.677 2.719 0.430 1.00 64.12 H new ATOM 0 HD21 LEU A 113 5.629 -0.153 -0.153 1.00 40.21 H new ATOM 0 HD22 LEU A 113 3.923 0.350 -0.198 1.00 40.21 H new ATOM 0 HD23 LEU A 113 4.658 -0.430 -1.618 1.00 40.21 H new ATOM 440 N GLU A 114 6.209 5.145 -2.452 1.00 22.35 N ATOM 441 CA GLU A 114 7.564 5.575 -2.777 1.00 44.13 C ATOM 442 C GLU A 114 8.596 4.722 -2.045 1.00 12.12 C ATOM 443 O GLU A 114 8.466 4.460 -0.849 1.00 11.41 O ATOM 444 CB GLU A 114 7.756 7.049 -2.417 1.00 34.23 C ATOM 445 CG GLU A 114 8.150 7.919 -3.599 1.00 33.35 C ATOM 446 CD GLU A 114 7.161 9.041 -3.853 1.00 21.54 C ATOM 447 OE1 GLU A 114 6.042 8.750 -4.327 1.00 41.21 O ATOM 448 OE2 GLU A 114 7.506 10.208 -3.577 1.00 52.12 O ATOM 0 H GLU A 114 5.705 5.774 -1.826 1.00 22.35 H new ATOM 0 HA GLU A 114 7.710 5.449 -3.850 1.00 44.13 H new ATOM 0 HB2 GLU A 114 6.831 7.433 -1.987 1.00 34.23 H new ATOM 0 HB3 GLU A 114 8.523 7.129 -1.646 1.00 34.23 H new ATOM 0 HG2 GLU A 114 9.138 8.344 -3.419 1.00 33.35 H new ATOM 0 HG3 GLU A 114 8.227 7.299 -4.492 1.00 33.35 H new ATOM 455 N LYS A 115 9.622 4.291 -2.771 1.00 12.23 N ATOM 456 CA LYS A 115 10.678 3.468 -2.192 1.00 11.41 C ATOM 457 C LYS A 115 11.591 4.304 -1.300 1.00 52.43 C ATOM 458 O LYS A 115 12.326 3.767 -0.472 1.00 70.44 O ATOM 459 CB LYS A 115 11.498 2.804 -3.299 1.00 63.25 C ATOM 460 CG LYS A 115 10.975 1.437 -3.707 1.00 54.45 C ATOM 461 CD LYS A 115 11.994 0.344 -3.433 1.00 12.13 C ATOM 462 CE LYS A 115 13.207 0.474 -4.340 1.00 65.34 C ATOM 463 NZ LYS A 115 14.245 -0.546 -4.027 1.00 64.23 N ATOM 0 H LYS A 115 9.745 4.498 -3.762 1.00 12.23 H new ATOM 0 HA LYS A 115 10.210 2.696 -1.581 1.00 11.41 H new ATOM 0 HB2 LYS A 115 11.508 3.456 -4.173 1.00 63.25 H new ATOM 0 HB3 LYS A 115 12.531 2.704 -2.964 1.00 63.25 H new ATOM 0 HG2 LYS A 115 10.055 1.222 -3.164 1.00 54.45 H new ATOM 0 HG3 LYS A 115 10.725 1.444 -4.768 1.00 54.45 H new ATOM 0 HD2 LYS A 115 12.310 0.393 -2.391 1.00 12.13 H new ATOM 0 HD3 LYS A 115 11.531 -0.632 -3.580 1.00 12.13 H new ATOM 0 HE2 LYS A 115 12.896 0.369 -5.379 1.00 65.34 H new ATOM 0 HE3 LYS A 115 13.634 1.471 -4.234 1.00 65.34 H new ATOM 0 HZ1 LYS A 115 15.056 -0.424 -4.667 1.00 64.23 H new ATOM 0 HZ2 LYS A 115 14.560 -0.430 -3.043 1.00 64.23 H new ATOM 0 HZ3 LYS A 115 13.845 -1.498 -4.152 1.00 64.23 H new ATOM 477 N ASP A 116 11.537 5.619 -1.474 1.00 51.53 N ATOM 478 CA ASP A 116 12.358 6.529 -0.683 1.00 13.04 C ATOM 479 C ASP A 116 12.205 6.241 0.808 1.00 5.10 C ATOM 480 O ASP A 116 13.190 6.010 1.510 1.00 14.15 O ATOM 481 CB ASP A 116 11.975 7.981 -0.976 1.00 3.34 C ATOM 482 CG ASP A 116 13.160 8.922 -0.878 1.00 72.12 C ATOM 483 OD1 ASP A 116 13.866 8.883 0.152 1.00 75.15 O ATOM 484 OD2 ASP A 116 13.381 9.699 -1.831 1.00 40.11 O ATOM 0 H ASP A 116 10.934 6.079 -2.155 1.00 51.53 H new ATOM 0 HA ASP A 116 13.401 6.373 -0.961 1.00 13.04 H new ATOM 0 HB2 ASP A 116 11.545 8.046 -1.975 1.00 3.34 H new ATOM 0 HB3 ASP A 116 11.203 8.299 -0.275 1.00 3.34 H new ATOM 489 N THR A 117 10.965 6.258 1.285 1.00 74.45 N ATOM 490 CA THR A 117 10.683 6.001 2.692 1.00 71.15 C ATOM 491 C THR A 117 9.555 4.987 2.851 1.00 50.24 C ATOM 492 O THR A 117 8.966 4.864 3.924 1.00 11.51 O ATOM 493 CB THR A 117 10.303 7.295 3.434 1.00 45.42 C ATOM 494 OG1 THR A 117 10.116 8.361 2.496 1.00 53.33 O ATOM 495 CG2 THR A 117 11.380 7.680 4.437 1.00 32.13 C ATOM 0 H THR A 117 10.139 6.447 0.717 1.00 74.45 H new ATOM 0 HA THR A 117 11.596 5.596 3.128 1.00 71.15 H new ATOM 0 HB THR A 117 9.372 7.118 3.973 1.00 45.42 H new ATOM 0 HG1 THR A 117 9.873 9.180 2.976 1.00 53.33 H new ATOM 0 HG21 THR A 117 11.089 8.597 4.949 1.00 32.13 H new ATOM 0 HG22 THR A 117 11.500 6.880 5.167 1.00 32.13 H new ATOM 0 HG23 THR A 117 12.323 7.839 3.915 1.00 32.13 H new ATOM 503 N MET A 118 9.260 4.263 1.775 1.00 1.52 N ATOM 504 CA MET A 118 8.203 3.259 1.797 1.00 13.13 C ATOM 505 C MET A 118 6.888 3.864 2.280 1.00 41.34 C ATOM 506 O MET A 118 6.041 3.166 2.836 1.00 54.14 O ATOM 507 CB MET A 118 8.600 2.089 2.699 1.00 2.23 C ATOM 508 CG MET A 118 7.835 0.809 2.406 1.00 11.22 C ATOM 509 SD MET A 118 8.292 -0.541 3.511 1.00 13.21 S ATOM 510 CE MET A 118 8.911 -1.744 2.337 1.00 34.53 C ATOM 0 H MET A 118 9.738 4.353 0.878 1.00 1.52 H new ATOM 0 HA MET A 118 8.063 2.893 0.780 1.00 13.13 H new ATOM 0 HB2 MET A 118 9.667 1.899 2.585 1.00 2.23 H new ATOM 0 HB3 MET A 118 8.436 2.371 3.739 1.00 2.23 H new ATOM 0 HG2 MET A 118 6.766 1.001 2.496 1.00 11.22 H new ATOM 0 HG3 MET A 118 8.020 0.508 1.375 1.00 11.22 H new ATOM 0 HE1 MET A 118 9.762 -2.270 2.770 1.00 34.53 H new ATOM 0 HE2 MET A 118 8.124 -2.460 2.100 1.00 34.53 H new ATOM 0 HE3 MET A 118 9.224 -1.235 1.425 1.00 34.53 H new ATOM 520 N ASP A 119 6.726 5.164 2.062 1.00 51.30 N ATOM 521 CA ASP A 119 5.514 5.863 2.474 1.00 51.53 C ATOM 522 C ASP A 119 4.407 5.687 1.438 1.00 33.54 C ATOM 523 O ASP A 119 4.670 5.348 0.285 1.00 73.13 O ATOM 524 CB ASP A 119 5.803 7.350 2.682 1.00 15.31 C ATOM 525 CG ASP A 119 5.417 7.826 4.068 1.00 23.23 C ATOM 526 OD1 ASP A 119 5.951 7.277 5.055 1.00 72.41 O ATOM 527 OD2 ASP A 119 4.582 8.749 4.168 1.00 4.05 O ATOM 0 H ASP A 119 7.418 5.755 1.602 1.00 51.30 H new ATOM 0 HA ASP A 119 5.177 5.431 3.417 1.00 51.53 H new ATOM 0 HB2 ASP A 119 6.864 7.537 2.519 1.00 15.31 H new ATOM 0 HB3 ASP A 119 5.259 7.931 1.937 1.00 15.31 H new ATOM 532 N VAL A 120 3.167 5.918 1.859 1.00 23.12 N ATOM 533 CA VAL A 120 2.020 5.785 0.969 1.00 20.11 C ATOM 534 C VAL A 120 1.493 7.151 0.544 1.00 24.15 C ATOM 535 O VAL A 120 1.493 8.099 1.330 1.00 11.22 O ATOM 536 CB VAL A 120 0.881 4.991 1.637 1.00 13.44 C ATOM 537 CG1 VAL A 120 -0.285 4.821 0.676 1.00 74.40 C ATOM 538 CG2 VAL A 120 1.385 3.641 2.122 1.00 24.13 C ATOM 0 H VAL A 120 2.932 6.198 2.811 1.00 23.12 H new ATOM 0 HA VAL A 120 2.363 5.242 0.088 1.00 20.11 H new ATOM 0 HB VAL A 120 0.529 5.552 2.502 1.00 13.44 H new ATOM 0 HG11 VAL A 120 -1.080 4.258 1.165 1.00 74.40 H new ATOM 0 HG12 VAL A 120 -0.661 5.801 0.384 1.00 74.40 H new ATOM 0 HG13 VAL A 120 0.050 4.282 -0.210 1.00 74.40 H new ATOM 0 HG21 VAL A 120 0.567 3.094 2.591 1.00 24.13 H new ATOM 0 HG22 VAL A 120 1.765 3.069 1.276 1.00 24.13 H new ATOM 0 HG23 VAL A 120 2.185 3.790 2.848 1.00 24.13 H new ATOM 548 N TRP A 121 1.044 7.244 -0.702 1.00 35.42 N ATOM 549 CA TRP A 121 0.513 8.494 -1.231 1.00 41.52 C ATOM 550 C TRP A 121 -0.906 8.304 -1.756 1.00 42.41 C ATOM 551 O TRP A 121 -1.142 7.496 -2.655 1.00 25.43 O ATOM 552 CB TRP A 121 1.416 9.024 -2.346 1.00 11.23 C ATOM 553 CG TRP A 121 1.306 10.505 -2.547 1.00 12.54 C ATOM 554 CD1 TRP A 121 0.986 11.439 -1.602 1.00 0.21 C ATOM 555 CD2 TRP A 121 1.513 11.223 -3.768 1.00 51.32 C ATOM 556 NE1 TRP A 121 0.981 12.693 -2.163 1.00 4.51 N ATOM 557 CE2 TRP A 121 1.303 12.588 -3.491 1.00 32.54 C ATOM 558 CE3 TRP A 121 1.858 10.846 -5.069 1.00 74.52 C ATOM 559 CZ2 TRP A 121 1.426 13.574 -4.467 1.00 35.41 C ATOM 560 CZ3 TRP A 121 1.979 11.824 -6.036 1.00 55.32 C ATOM 561 CH2 TRP A 121 1.763 13.175 -5.732 1.00 5.35 C ATOM 0 H TRP A 121 1.037 6.469 -1.365 1.00 35.42 H new ATOM 0 HA TRP A 121 0.485 9.221 -0.419 1.00 41.52 H new ATOM 0 HB2 TRP A 121 2.451 8.772 -2.116 1.00 11.23 H new ATOM 0 HB3 TRP A 121 1.165 8.519 -3.278 1.00 11.23 H new ATOM 0 HD1 TRP A 121 0.769 11.223 -0.566 1.00 0.21 H new ATOM 0 HE1 TRP A 121 0.772 13.562 -1.671 1.00 4.51 H new ATOM 0 HE3 TRP A 121 2.027 9.808 -5.314 1.00 74.52 H new ATOM 0 HZ2 TRP A 121 1.261 14.616 -4.234 1.00 35.41 H new ATOM 0 HZ3 TRP A 121 2.245 11.543 -7.044 1.00 55.32 H new ATOM 0 HH2 TRP A 121 1.864 13.916 -6.511 1.00 5.35 H new ATOM 572 N CYS A 122 -1.846 9.053 -1.193 1.00 10.55 N ATOM 573 CA CYS A 122 -3.243 8.967 -1.605 1.00 22.34 C ATOM 574 C CYS A 122 -3.859 10.356 -1.733 1.00 72.24 C ATOM 575 O CYS A 122 -3.709 11.197 -0.848 1.00 13.12 O ATOM 576 CB CYS A 122 -4.041 8.132 -0.602 1.00 1.34 C ATOM 577 SG CYS A 122 -5.828 8.163 -0.874 1.00 71.40 S ATOM 0 H CYS A 122 -1.667 9.728 -0.449 1.00 10.55 H new ATOM 0 HA CYS A 122 -3.279 8.483 -2.581 1.00 22.34 H new ATOM 0 HB2 CYS A 122 -3.695 7.099 -0.648 1.00 1.34 H new ATOM 0 HB3 CYS A 122 -3.831 8.494 0.404 1.00 1.34 H new ATOM 0 HG CYS A 122 -6.440 8.248 0.270 1.00 71.40 H new ATOM 583 N ASN A 123 -4.552 10.590 -2.844 1.00 5.13 N ATOM 584 CA ASN A 123 -5.189 11.878 -3.090 1.00 41.34 C ATOM 585 C ASN A 123 -4.192 13.020 -2.916 1.00 32.11 C ATOM 586 O ASN A 123 -4.476 14.007 -2.239 1.00 3.13 O ATOM 587 CB ASN A 123 -6.375 12.073 -2.144 1.00 41.11 C ATOM 588 CG ASN A 123 -7.643 11.425 -2.665 1.00 41.24 C ATOM 589 OD1 ASN A 123 -7.520 10.201 -3.165 1.00 3.32 O flip ATOM 590 ND2 ASN A 123 -8.721 12.018 -2.619 1.00 5.12 N flip ATOM 0 H ASN A 123 -4.686 9.904 -3.587 1.00 5.13 H new ATOM 0 HA ASN A 123 -5.549 11.887 -4.119 1.00 41.34 H new ATOM 0 HB2 ASN A 123 -6.131 11.654 -1.168 1.00 41.11 H new ATOM 0 HB3 ASN A 123 -6.549 13.139 -1.998 1.00 41.11 H new ATOM 0 HD21 ASN A 123 -8.770 12.958 -2.226 1.00 5.12 H new ATOM 0 HD22 ASN A 123 -9.565 11.569 -2.974 1.00 5.12 H new ATOM 597 N GLY A 124 -3.023 12.878 -3.534 1.00 71.31 N ATOM 598 CA GLY A 124 -2.003 13.905 -3.436 1.00 22.22 C ATOM 599 C GLY A 124 -1.762 14.348 -2.006 1.00 64.14 C ATOM 600 O GLY A 124 -1.706 15.543 -1.721 1.00 50.53 O ATOM 0 H GLY A 124 -2.765 12.070 -4.101 1.00 71.31 H new ATOM 0 HA2 GLY A 124 -1.071 13.529 -3.859 1.00 22.22 H new ATOM 0 HA3 GLY A 124 -2.300 14.766 -4.035 1.00 22.22 H new ATOM 604 N GLN A 125 -1.618 13.381 -1.106 1.00 62.40 N ATOM 605 CA GLN A 125 -1.384 13.678 0.302 1.00 4.24 C ATOM 606 C GLN A 125 -0.613 12.547 0.977 1.00 55.33 C ATOM 607 O GLN A 125 -1.083 11.411 1.037 1.00 75.33 O ATOM 608 CB GLN A 125 -2.712 13.908 1.025 1.00 33.40 C ATOM 609 CG GLN A 125 -2.840 15.293 1.638 1.00 31.11 C ATOM 610 CD GLN A 125 -2.902 15.258 3.152 1.00 53.03 C ATOM 611 OE1 GLN A 125 -3.983 15.219 3.740 1.00 63.11 O ATOM 612 NE2 GLN A 125 -1.740 15.273 3.792 1.00 25.03 N ATOM 0 H GLN A 125 -1.659 12.386 -1.326 1.00 62.40 H new ATOM 0 HA GLN A 125 -0.785 14.587 0.360 1.00 4.24 H new ATOM 0 HB2 GLN A 125 -3.530 13.754 0.322 1.00 33.40 H new ATOM 0 HB3 GLN A 125 -2.822 13.161 1.811 1.00 33.40 H new ATOM 0 HG2 GLN A 125 -1.992 15.903 1.327 1.00 31.11 H new ATOM 0 HG3 GLN A 125 -3.738 15.775 1.253 1.00 31.11 H new ATOM 0 HE21 GLN A 125 -0.868 15.306 3.264 1.00 25.03 H new ATOM 0 HE22 GLN A 125 -1.719 15.252 4.812 1.00 25.03 H new ATOM 621 N LYS A 126 0.572 12.866 1.484 1.00 42.12 N ATOM 622 CA LYS A 126 1.409 11.878 2.155 1.00 21.10 C ATOM 623 C LYS A 126 0.633 11.169 3.261 1.00 54.43 C ATOM 624 O LYS A 126 0.443 11.716 4.347 1.00 41.33 O ATOM 625 CB LYS A 126 2.655 12.547 2.739 1.00 11.42 C ATOM 626 CG LYS A 126 3.865 11.631 2.803 1.00 55.24 C ATOM 627 CD LYS A 126 5.069 12.250 2.113 1.00 50.15 C ATOM 628 CE LYS A 126 4.886 12.292 0.603 1.00 11.22 C ATOM 629 NZ LYS A 126 5.827 13.248 -0.043 1.00 3.41 N ATOM 0 H LYS A 126 0.975 13.802 1.443 1.00 42.12 H new ATOM 0 HA LYS A 126 1.715 11.136 1.417 1.00 21.10 H new ATOM 0 HB2 LYS A 126 2.903 13.421 2.137 1.00 11.42 H new ATOM 0 HB3 LYS A 126 2.428 12.905 3.743 1.00 11.42 H new ATOM 0 HG2 LYS A 126 4.109 11.421 3.844 1.00 55.24 H new ATOM 0 HG3 LYS A 126 3.626 10.677 2.333 1.00 55.24 H new ATOM 0 HD2 LYS A 126 5.226 13.261 2.490 1.00 50.15 H new ATOM 0 HD3 LYS A 126 5.964 11.677 2.356 1.00 50.15 H new ATOM 0 HE2 LYS A 126 5.041 11.295 0.190 1.00 11.22 H new ATOM 0 HE3 LYS A 126 3.860 12.578 0.369 1.00 11.22 H new ATOM 0 HZ1 LYS A 126 5.671 13.248 -1.071 1.00 3.41 H new ATOM 0 HZ2 LYS A 126 5.662 14.204 0.332 1.00 3.41 H new ATOM 0 HZ3 LYS A 126 6.806 12.961 0.159 1.00 3.41 H new ATOM 643 N MET A 127 0.188 9.950 2.977 1.00 42.20 N ATOM 644 CA MET A 127 -0.565 9.166 3.949 1.00 32.25 C ATOM 645 C MET A 127 0.220 9.013 5.248 1.00 14.20 C ATOM 646 O MET A 127 1.359 9.467 5.353 1.00 73.34 O ATOM 647 CB MET A 127 -0.899 7.787 3.376 1.00 4.14 C ATOM 648 CG MET A 127 -2.069 7.800 2.405 1.00 23.12 C ATOM 649 SD MET A 127 -3.665 7.748 3.242 1.00 43.20 S ATOM 650 CE MET A 127 -3.522 6.211 4.151 1.00 5.44 C ATOM 0 H MET A 127 0.336 9.483 2.082 1.00 42.20 H new ATOM 0 HA MET A 127 -1.493 9.696 4.165 1.00 32.25 H new ATOM 0 HB2 MET A 127 -0.020 7.391 2.868 1.00 4.14 H new ATOM 0 HB3 MET A 127 -1.126 7.107 4.197 1.00 4.14 H new ATOM 0 HG2 MET A 127 -2.015 8.698 1.789 1.00 23.12 H new ATOM 0 HG3 MET A 127 -1.988 6.946 1.732 1.00 23.12 H new ATOM 0 HE1 MET A 127 -4.436 5.630 4.030 1.00 5.44 H new ATOM 0 HE2 MET A 127 -2.676 5.640 3.769 1.00 5.44 H new ATOM 0 HE3 MET A 127 -3.367 6.427 5.208 1.00 5.44 H new ATOM 660 N GLU A 128 -0.398 8.373 6.236 1.00 34.11 N ATOM 661 CA GLU A 128 0.243 8.163 7.528 1.00 34.03 C ATOM 662 C GLU A 128 0.383 6.674 7.831 1.00 62.43 C ATOM 663 O GLU A 128 -0.597 5.996 8.142 1.00 21.25 O ATOM 664 CB GLU A 128 -0.559 8.846 8.638 1.00 72.34 C ATOM 665 CG GLU A 128 0.082 10.122 9.156 1.00 54.03 C ATOM 666 CD GLU A 128 -0.116 10.312 10.646 1.00 31.04 C ATOM 667 OE1 GLU A 128 0.609 9.663 11.429 1.00 63.33 O ATOM 668 OE2 GLU A 128 -0.997 11.110 11.031 1.00 30.10 O ATOM 0 H GLU A 128 -1.341 7.991 6.166 1.00 34.11 H new ATOM 0 HA GLU A 128 1.239 8.603 7.485 1.00 34.03 H new ATOM 0 HB2 GLU A 128 -1.557 9.077 8.264 1.00 72.34 H new ATOM 0 HB3 GLU A 128 -0.682 8.149 9.467 1.00 72.34 H new ATOM 0 HG2 GLU A 128 1.149 10.103 8.935 1.00 54.03 H new ATOM 0 HG3 GLU A 128 -0.339 10.976 8.626 1.00 54.03 H new ATOM 675 N THR A 129 1.609 6.169 7.734 1.00 51.13 N ATOM 676 CA THR A 129 1.879 4.761 7.995 1.00 44.42 C ATOM 677 C THR A 129 2.428 4.558 9.402 1.00 21.45 C ATOM 678 O THR A 129 2.512 5.500 10.188 1.00 2.24 O ATOM 679 CB THR A 129 2.881 4.183 6.977 1.00 52.15 C ATOM 680 OG1 THR A 129 4.139 4.857 7.091 1.00 21.22 O ATOM 681 CG2 THR A 129 2.352 4.323 5.557 1.00 14.11 C ATOM 0 H THR A 129 2.431 6.715 7.476 1.00 51.13 H new ATOM 0 HA THR A 129 0.930 4.234 7.899 1.00 44.42 H new ATOM 0 HB THR A 129 3.016 3.124 7.195 1.00 52.15 H new ATOM 0 HG1 THR A 129 4.771 4.483 6.442 1.00 21.22 H new ATOM 0 HG21 THR A 129 3.077 3.908 4.856 1.00 14.11 H new ATOM 0 HG22 THR A 129 1.409 3.784 5.465 1.00 14.11 H new ATOM 0 HG23 THR A 129 2.191 5.377 5.331 1.00 14.11 H new ATOM 689 N ALA A 130 2.801 3.321 9.714 1.00 64.23 N ATOM 690 CA ALA A 130 3.345 2.994 11.026 1.00 72.22 C ATOM 691 C ALA A 130 4.848 2.748 10.952 1.00 43.55 C ATOM 692 O ALA A 130 5.608 3.231 11.790 1.00 4.32 O ATOM 693 CB ALA A 130 2.636 1.777 11.603 1.00 5.12 C ATOM 0 H ALA A 130 2.736 2.528 9.075 1.00 64.23 H new ATOM 0 HA ALA A 130 3.175 3.846 11.685 1.00 72.22 H new ATOM 0 HB1 ALA A 130 3.052 1.544 12.583 1.00 5.12 H new ATOM 0 HB2 ALA A 130 1.571 1.989 11.702 1.00 5.12 H new ATOM 0 HB3 ALA A 130 2.776 0.925 10.938 1.00 5.12 H new ATOM 699 N GLY A 131 5.271 1.991 9.944 1.00 54.55 N ATOM 700 CA GLY A 131 6.681 1.693 9.779 1.00 2.52 C ATOM 701 C GLY A 131 7.165 0.630 10.745 1.00 73.31 C ATOM 702 O GLY A 131 8.143 0.834 11.463 1.00 12.34 O ATOM 0 H GLY A 131 4.661 1.579 9.238 1.00 54.55 H new ATOM 0 HA2 GLY A 131 6.862 1.360 8.757 1.00 2.52 H new ATOM 0 HA3 GLY A 131 7.261 2.604 9.925 1.00 2.52 H new ATOM 706 N GLU A 132 6.478 -0.508 10.763 1.00 54.42 N ATOM 707 CA GLU A 132 6.842 -1.606 11.650 1.00 65.10 C ATOM 708 C GLU A 132 7.693 -2.639 10.915 1.00 14.14 C ATOM 709 O GLU A 132 7.227 -3.292 9.982 1.00 45.43 O ATOM 710 CB GLU A 132 5.588 -2.272 12.216 1.00 14.12 C ATOM 711 CG GLU A 132 4.783 -1.370 13.138 1.00 61.25 C ATOM 712 CD GLU A 132 4.300 -2.090 14.383 1.00 44.23 C ATOM 713 OE1 GLU A 132 3.375 -2.920 14.267 1.00 52.15 O ATOM 714 OE2 GLU A 132 4.848 -1.823 15.472 1.00 25.12 O ATOM 0 H GLU A 132 5.667 -0.693 10.173 1.00 54.42 H new ATOM 0 HA GLU A 132 7.428 -1.196 12.472 1.00 65.10 H new ATOM 0 HB2 GLU A 132 4.953 -2.593 11.390 1.00 14.12 H new ATOM 0 HB3 GLU A 132 5.878 -3.169 12.762 1.00 14.12 H new ATOM 0 HG2 GLU A 132 5.395 -0.517 13.431 1.00 61.25 H new ATOM 0 HG3 GLU A 132 3.924 -0.975 12.595 1.00 61.25 H new ATOM 721 N PHE A 133 8.943 -2.781 11.344 1.00 33.24 N ATOM 722 CA PHE A 133 9.858 -3.733 10.729 1.00 45.35 C ATOM 723 C PHE A 133 9.790 -5.087 11.429 1.00 10.44 C ATOM 724 O PHE A 133 9.938 -5.176 12.648 1.00 24.21 O ATOM 725 CB PHE A 133 11.291 -3.196 10.772 1.00 22.11 C ATOM 726 CG PHE A 133 12.220 -3.889 9.816 1.00 5.22 C ATOM 727 CD1 PHE A 133 12.146 -3.640 8.455 1.00 71.31 C ATOM 728 CD2 PHE A 133 13.167 -4.788 10.279 1.00 44.34 C ATOM 729 CE1 PHE A 133 13.000 -4.275 7.573 1.00 65.54 C ATOM 730 CE2 PHE A 133 14.024 -5.425 9.402 1.00 75.53 C ATOM 731 CZ PHE A 133 13.939 -5.170 8.046 1.00 24.13 C ATOM 0 H PHE A 133 9.345 -2.248 12.116 1.00 33.24 H new ATOM 0 HA PHE A 133 9.557 -3.867 9.690 1.00 45.35 H new ATOM 0 HB2 PHE A 133 11.278 -2.130 10.545 1.00 22.11 H new ATOM 0 HB3 PHE A 133 11.680 -3.302 11.785 1.00 22.11 H new ATOM 0 HD1 PHE A 133 11.413 -2.942 8.079 1.00 71.31 H new ATOM 0 HD2 PHE A 133 13.236 -4.993 11.337 1.00 44.34 H new ATOM 0 HE1 PHE A 133 12.933 -4.071 6.515 1.00 65.54 H new ATOM 0 HE2 PHE A 133 14.760 -6.122 9.776 1.00 75.53 H new ATOM 0 HZ PHE A 133 14.605 -5.670 7.358 1.00 24.13 H new ATOM 741 N VAL A 134 9.563 -6.140 10.649 1.00 14.44 N ATOM 742 CA VAL A 134 9.474 -7.489 11.194 1.00 71.11 C ATOM 743 C VAL A 134 10.658 -8.340 10.750 1.00 4.44 C ATOM 744 O VAL A 134 11.551 -7.862 10.049 1.00 1.45 O ATOM 745 CB VAL A 134 8.168 -8.184 10.763 1.00 43.40 C ATOM 746 CG1 VAL A 134 6.962 -7.467 11.353 1.00 44.33 C ATOM 747 CG2 VAL A 134 8.073 -8.245 9.246 1.00 44.34 C ATOM 0 H VAL A 134 9.438 -6.084 9.638 1.00 14.44 H new ATOM 0 HA VAL A 134 9.485 -7.393 12.280 1.00 71.11 H new ATOM 0 HB VAL A 134 8.176 -9.205 11.145 1.00 43.40 H new ATOM 0 HG11 VAL A 134 6.049 -7.972 11.038 1.00 44.33 H new ATOM 0 HG12 VAL A 134 7.027 -7.480 12.441 1.00 44.33 H new ATOM 0 HG13 VAL A 134 6.945 -6.435 11.003 1.00 44.33 H new ATOM 0 HG21 VAL A 134 7.145 -8.739 8.959 1.00 44.34 H new ATOM 0 HG22 VAL A 134 8.087 -7.234 8.840 1.00 44.34 H new ATOM 0 HG23 VAL A 134 8.920 -8.806 8.851 1.00 44.34 H new ATOM 757 N ASP A 135 10.660 -9.603 11.162 1.00 41.35 N ATOM 758 CA ASP A 135 11.735 -10.521 10.806 1.00 61.22 C ATOM 759 C ASP A 135 11.957 -10.539 9.296 1.00 1.21 C ATOM 760 O ASP A 135 13.089 -10.652 8.826 1.00 22.34 O ATOM 761 CB ASP A 135 11.415 -11.932 11.303 1.00 43.14 C ATOM 762 CG ASP A 135 11.979 -12.201 12.684 1.00 15.42 C ATOM 763 OD1 ASP A 135 12.271 -11.224 13.407 1.00 41.23 O ATOM 764 OD2 ASP A 135 12.125 -13.387 13.045 1.00 42.44 O ATOM 0 H ASP A 135 9.929 -10.014 11.743 1.00 41.35 H new ATOM 0 HA ASP A 135 12.650 -10.173 11.286 1.00 61.22 H new ATOM 0 HB2 ASP A 135 10.334 -12.071 11.322 1.00 43.14 H new ATOM 0 HB3 ASP A 135 11.818 -12.662 10.601 1.00 43.14 H new ATOM 769 N ASP A 136 10.869 -10.428 8.542 1.00 51.40 N ATOM 770 CA ASP A 136 10.945 -10.431 7.086 1.00 52.05 C ATOM 771 C ASP A 136 9.778 -9.657 6.479 1.00 5.31 C ATOM 772 O ASP A 136 8.657 -10.156 6.411 1.00 12.21 O ATOM 773 CB ASP A 136 10.950 -11.866 6.557 1.00 3.04 C ATOM 774 CG ASP A 136 12.219 -12.199 5.798 1.00 63.14 C ATOM 775 OD1 ASP A 136 12.546 -11.469 4.839 1.00 75.34 O ATOM 776 OD2 ASP A 136 12.887 -13.189 6.163 1.00 34.21 O ATOM 0 H ASP A 136 9.924 -10.335 8.915 1.00 51.40 H new ATOM 0 HA ASP A 136 11.874 -9.941 6.795 1.00 52.05 H new ATOM 0 HB2 ASP A 136 10.837 -12.558 7.391 1.00 3.04 H new ATOM 0 HB3 ASP A 136 10.090 -12.012 5.903 1.00 3.04 H new ATOM 781 N GLY A 137 10.053 -8.432 6.041 1.00 52.54 N ATOM 782 CA GLY A 137 9.016 -7.607 5.447 1.00 43.23 C ATOM 783 C GLY A 137 8.656 -6.416 6.312 1.00 2.32 C ATOM 784 O GLY A 137 9.203 -6.242 7.403 1.00 62.44 O ATOM 0 H GLY A 137 10.974 -7.996 6.087 1.00 52.54 H new ATOM 0 HA2 GLY A 137 9.350 -7.255 4.471 1.00 43.23 H new ATOM 0 HA3 GLY A 137 8.125 -8.213 5.280 1.00 43.23 H new ATOM 788 N THR A 138 7.735 -5.590 5.826 1.00 64.11 N ATOM 789 CA THR A 138 7.304 -4.407 6.560 1.00 24.24 C ATOM 790 C THR A 138 5.787 -4.268 6.540 1.00 72.23 C ATOM 791 O THR A 138 5.162 -4.355 5.483 1.00 33.11 O ATOM 792 CB THR A 138 7.934 -3.126 5.981 1.00 2.02 C ATOM 793 OG1 THR A 138 8.904 -3.465 4.984 1.00 55.23 O ATOM 794 CG2 THR A 138 8.593 -2.303 7.078 1.00 64.33 C ATOM 0 H THR A 138 7.273 -5.719 4.926 1.00 64.11 H new ATOM 0 HA THR A 138 7.640 -4.535 7.589 1.00 24.24 H new ATOM 0 HB THR A 138 7.141 -2.530 5.529 1.00 2.02 H new ATOM 0 HG1 THR A 138 9.604 -2.780 4.962 1.00 55.23 H new ATOM 0 HG21 THR A 138 9.031 -1.404 6.645 1.00 64.33 H new ATOM 0 HG22 THR A 138 7.846 -2.022 7.820 1.00 64.33 H new ATOM 0 HG23 THR A 138 9.375 -2.893 7.556 1.00 64.33 H new ATOM 802 N GLU A 139 5.200 -4.053 7.714 1.00 44.54 N ATOM 803 CA GLU A 139 3.755 -3.902 7.828 1.00 73.35 C ATOM 804 C GLU A 139 3.364 -2.428 7.899 1.00 23.43 C ATOM 805 O GLU A 139 3.464 -1.798 8.954 1.00 71.35 O ATOM 806 CB GLU A 139 3.240 -4.639 9.066 1.00 31.15 C ATOM 807 CG GLU A 139 3.865 -6.009 9.264 1.00 44.11 C ATOM 808 CD GLU A 139 3.381 -6.695 10.526 1.00 22.03 C ATOM 809 OE1 GLU A 139 3.476 -6.080 11.609 1.00 13.42 O ATOM 810 OE2 GLU A 139 2.909 -7.847 10.433 1.00 54.23 O ATOM 0 H GLU A 139 5.703 -3.980 8.598 1.00 44.54 H new ATOM 0 HA GLU A 139 3.299 -4.337 6.939 1.00 73.35 H new ATOM 0 HB2 GLU A 139 3.435 -4.029 9.948 1.00 31.15 H new ATOM 0 HB3 GLU A 139 2.159 -4.750 8.988 1.00 31.15 H new ATOM 0 HG2 GLU A 139 3.635 -6.637 8.403 1.00 44.11 H new ATOM 0 HG3 GLU A 139 4.949 -5.907 9.304 1.00 44.11 H new ATOM 817 N THR A 140 2.921 -1.884 6.771 1.00 42.23 N ATOM 818 CA THR A 140 2.517 -0.485 6.705 1.00 42.45 C ATOM 819 C THR A 140 1.085 -0.302 7.190 1.00 74.01 C ATOM 820 O THR A 140 0.135 -0.726 6.529 1.00 11.51 O ATOM 821 CB THR A 140 2.636 0.066 5.271 1.00 23.21 C ATOM 822 OG1 THR A 140 3.045 -0.975 4.378 1.00 63.30 O ATOM 823 CG2 THR A 140 3.634 1.213 5.213 1.00 62.53 C ATOM 0 H THR A 140 2.833 -2.391 5.890 1.00 42.23 H new ATOM 0 HA THR A 140 3.191 0.070 7.357 1.00 42.45 H new ATOM 0 HB THR A 140 1.658 0.440 4.967 1.00 23.21 H new ATOM 0 HG1 THR A 140 2.309 -1.611 4.258 1.00 63.30 H new ATOM 0 HG21 THR A 140 3.701 1.586 4.191 1.00 62.53 H new ATOM 0 HG22 THR A 140 3.303 2.017 5.871 1.00 62.53 H new ATOM 0 HG23 THR A 140 4.613 0.860 5.535 1.00 62.53 H new ATOM 831 N HIS A 141 0.933 0.331 8.349 1.00 24.13 N ATOM 832 CA HIS A 141 -0.386 0.571 8.924 1.00 51.22 C ATOM 833 C HIS A 141 -0.836 2.006 8.668 1.00 35.14 C ATOM 834 O HIS A 141 -0.343 2.943 9.296 1.00 4.23 O ATOM 835 CB HIS A 141 -0.371 0.289 10.426 1.00 64.32 C ATOM 836 CG HIS A 141 0.169 -1.065 10.776 1.00 75.15 C ATOM 837 ND1 HIS A 141 1.437 -1.480 11.003 1.00 43.34 N flip ATOM 838 CD2 HIS A 141 -0.631 -2.178 10.925 1.00 75.31 C flip ATOM 839 CE1 HIS A 141 1.380 -2.824 11.284 1.00 64.31 C flip ATOM 840 NE2 HIS A 141 0.121 -3.220 11.231 1.00 2.32 N flip ATOM 0 H HIS A 141 1.708 0.687 8.909 1.00 24.13 H new ATOM 0 HA HIS A 141 -1.093 -0.105 8.443 1.00 51.22 H new ATOM 0 HB2 HIS A 141 0.229 1.050 10.924 1.00 64.32 H new ATOM 0 HB3 HIS A 141 -1.386 0.378 10.814 1.00 64.32 H new ATOM 0 HD2 HIS A 141 -1.705 -2.195 10.810 1.00 75.31 H new ATOM 0 HE1 HIS A 141 2.227 -3.454 11.511 1.00 64.31 H new ATOM 0 HE2 HIS A 141 -0.214 -4.169 11.398 1.00 2.32 H new ATOM 848 N PHE A 142 -1.775 2.171 7.743 1.00 75.10 N ATOM 849 CA PHE A 142 -2.291 3.493 7.403 1.00 34.32 C ATOM 850 C PHE A 142 -3.803 3.450 7.199 1.00 43.01 C ATOM 851 O PHE A 142 -4.369 2.400 6.898 1.00 54.43 O ATOM 852 CB PHE A 142 -1.608 4.021 6.140 1.00 62.43 C ATOM 853 CG PHE A 142 -1.769 3.118 4.951 1.00 41.34 C ATOM 854 CD1 PHE A 142 -2.970 3.063 4.262 1.00 3.24 C ATOM 855 CD2 PHE A 142 -0.718 2.324 4.519 1.00 1.32 C ATOM 856 CE1 PHE A 142 -3.120 2.233 3.167 1.00 23.35 C ATOM 857 CE2 PHE A 142 -0.862 1.492 3.425 1.00 41.53 C ATOM 858 CZ PHE A 142 -2.065 1.448 2.748 1.00 24.21 C ATOM 0 H PHE A 142 -2.195 1.406 7.215 1.00 75.10 H new ATOM 0 HA PHE A 142 -2.073 4.166 8.233 1.00 34.32 H new ATOM 0 HB2 PHE A 142 -2.016 5.003 5.899 1.00 62.43 H new ATOM 0 HB3 PHE A 142 -0.546 4.158 6.341 1.00 62.43 H new ATOM 0 HD1 PHE A 142 -3.799 3.676 4.584 1.00 3.24 H new ATOM 0 HD2 PHE A 142 0.225 2.356 5.044 1.00 1.32 H new ATOM 0 HE1 PHE A 142 -4.062 2.199 2.640 1.00 23.35 H new ATOM 0 HE2 PHE A 142 -0.035 0.877 3.100 1.00 41.53 H new ATOM 0 HZ PHE A 142 -2.180 0.800 1.892 1.00 24.21 H new ATOM 868 N SER A 143 -4.448 4.600 7.365 1.00 74.42 N ATOM 869 CA SER A 143 -5.894 4.695 7.203 1.00 71.30 C ATOM 870 C SER A 143 -6.251 5.520 5.970 1.00 24.31 C ATOM 871 O SER A 143 -5.833 6.671 5.838 1.00 33.34 O ATOM 872 CB SER A 143 -6.529 5.318 8.448 1.00 21.43 C ATOM 873 OG SER A 143 -6.906 6.663 8.210 1.00 70.23 O ATOM 0 H SER A 143 -3.992 5.479 7.611 1.00 74.42 H new ATOM 0 HA SER A 143 -6.286 3.687 7.070 1.00 71.30 H new ATOM 0 HB2 SER A 143 -7.404 4.739 8.742 1.00 21.43 H new ATOM 0 HB3 SER A 143 -5.825 5.276 9.279 1.00 21.43 H new ATOM 0 HG SER A 143 -7.310 7.038 9.020 1.00 70.23 H new ATOM 879 N VAL A 144 -7.024 4.922 5.070 1.00 43.42 N ATOM 880 CA VAL A 144 -7.437 5.601 3.847 1.00 12.40 C ATOM 881 C VAL A 144 -8.905 6.009 3.915 1.00 52.41 C ATOM 882 O VAL A 144 -9.779 5.183 4.168 1.00 31.42 O ATOM 883 CB VAL A 144 -7.221 4.710 2.609 1.00 23.43 C ATOM 884 CG1 VAL A 144 -7.507 5.488 1.335 1.00 52.04 C ATOM 885 CG2 VAL A 144 -5.806 4.152 2.597 1.00 4.10 C ATOM 0 H VAL A 144 -7.377 3.970 5.164 1.00 43.42 H new ATOM 0 HA VAL A 144 -6.817 6.493 3.756 1.00 12.40 H new ATOM 0 HB VAL A 144 -7.917 3.873 2.658 1.00 23.43 H new ATOM 0 HG11 VAL A 144 -7.349 4.842 0.471 1.00 52.04 H new ATOM 0 HG12 VAL A 144 -8.540 5.835 1.345 1.00 52.04 H new ATOM 0 HG13 VAL A 144 -6.837 6.346 1.274 1.00 52.04 H new ATOM 0 HG21 VAL A 144 -5.670 3.525 1.716 1.00 4.10 H new ATOM 0 HG22 VAL A 144 -5.091 4.974 2.571 1.00 4.10 H new ATOM 0 HG23 VAL A 144 -5.642 3.557 3.495 1.00 4.10 H new ATOM 895 N GLY A 145 -9.168 7.293 3.686 1.00 23.32 N ATOM 896 CA GLY A 145 -10.531 7.789 3.725 1.00 4.53 C ATOM 897 C GLY A 145 -11.247 7.416 5.008 1.00 65.32 C ATOM 898 O GLY A 145 -12.419 7.043 4.985 1.00 23.05 O ATOM 0 H GLY A 145 -8.461 7.997 3.474 1.00 23.32 H new ATOM 0 HA2 GLY A 145 -10.523 8.874 3.619 1.00 4.53 H new ATOM 0 HA3 GLY A 145 -11.084 7.390 2.875 1.00 4.53 H new ATOM 902 N ASN A 146 -10.540 7.514 6.129 1.00 3.22 N ATOM 903 CA ASN A 146 -11.115 7.182 7.427 1.00 70.11 C ATOM 904 C ASN A 146 -11.476 5.701 7.498 1.00 33.44 C ATOM 905 O ASN A 146 -12.364 5.304 8.253 1.00 74.51 O ATOM 906 CB ASN A 146 -12.357 8.034 7.691 1.00 54.42 C ATOM 907 CG ASN A 146 -12.319 8.709 9.049 1.00 4.44 C ATOM 908 OD1 ASN A 146 -12.281 9.936 9.144 1.00 52.15 O ATOM 909 ND2 ASN A 146 -12.325 7.907 10.108 1.00 50.51 N ATOM 0 H ASN A 146 -9.568 7.821 6.164 1.00 3.22 H new ATOM 0 HA ASN A 146 -10.369 7.394 8.193 1.00 70.11 H new ATOM 0 HB2 ASN A 146 -12.445 8.793 6.914 1.00 54.42 H new ATOM 0 HB3 ASN A 146 -13.245 7.406 7.625 1.00 54.42 H new ATOM 0 HD21 ASN A 146 -12.297 8.303 11.048 1.00 50.51 H new ATOM 0 HD22 ASN A 146 -12.357 6.895 9.981 1.00 50.51 H new ATOM 916 N HIS A 147 -10.782 4.889 6.708 1.00 4.31 N ATOM 917 CA HIS A 147 -11.028 3.451 6.682 1.00 2.43 C ATOM 918 C HIS A 147 -9.832 2.686 7.239 1.00 2.00 C ATOM 919 O HIS A 147 -8.917 3.276 7.815 1.00 73.55 O ATOM 920 CB HIS A 147 -11.326 2.989 5.256 1.00 44.53 C ATOM 921 CG HIS A 147 -12.370 3.811 4.566 1.00 71.33 C ATOM 922 ND1 HIS A 147 -12.412 4.320 3.312 1.00 43.52 N flip ATOM 923 CD2 HIS A 147 -13.546 4.199 5.175 1.00 24.03 C flip ATOM 924 CE1 HIS A 147 -13.599 4.998 3.187 1.00 54.40 C flip ATOM 925 NE2 HIS A 147 -14.264 4.910 4.324 1.00 41.13 N flip ATOM 0 H HIS A 147 -10.044 5.202 6.077 1.00 4.31 H new ATOM 0 HA HIS A 147 -11.894 3.243 7.311 1.00 2.43 H new ATOM 0 HB2 HIS A 147 -10.406 3.021 4.673 1.00 44.53 H new ATOM 0 HB3 HIS A 147 -11.652 1.949 5.280 1.00 44.53 H new ATOM 0 HD2 HIS A 147 -13.834 3.959 6.188 1.00 24.03 H new ATOM 0 HE1 HIS A 147 -13.934 5.519 2.302 1.00 54.40 H new ATOM 0 HE2 HIS A 147 -15.178 5.321 4.513 1.00 41.13 H new ATOM 933 N ASP A 148 -9.846 1.369 7.064 1.00 4.13 N ATOM 934 CA ASP A 148 -8.762 0.522 7.548 1.00 2.12 C ATOM 935 C ASP A 148 -8.049 -0.165 6.388 1.00 44.12 C ATOM 936 O ASP A 148 -8.610 -1.044 5.733 1.00 1.03 O ATOM 937 CB ASP A 148 -9.301 -0.527 8.522 1.00 11.14 C ATOM 938 CG ASP A 148 -10.370 -1.402 7.898 1.00 62.33 C ATOM 939 OD1 ASP A 148 -11.492 -0.902 7.674 1.00 32.03 O ATOM 940 OD2 ASP A 148 -10.083 -2.588 7.632 1.00 62.23 O ATOM 0 H ASP A 148 -10.596 0.865 6.591 1.00 4.13 H new ATOM 0 HA ASP A 148 -8.045 1.156 8.068 1.00 2.12 H new ATOM 0 HB2 ASP A 148 -8.479 -1.154 8.868 1.00 11.14 H new ATOM 0 HB3 ASP A 148 -9.711 -0.027 9.399 1.00 11.14 H new ATOM 945 N CYS A 149 -6.809 0.243 6.138 1.00 51.22 N ATOM 946 CA CYS A 149 -6.019 -0.332 5.055 1.00 53.44 C ATOM 947 C CYS A 149 -4.577 -0.561 5.495 1.00 34.21 C ATOM 948 O CYS A 149 -4.182 -0.165 6.592 1.00 74.01 O ATOM 949 CB CYS A 149 -6.051 0.585 3.831 1.00 41.31 C ATOM 950 SG CYS A 149 -7.698 1.204 3.414 1.00 53.01 S ATOM 0 H CYS A 149 -6.330 0.969 6.670 1.00 51.22 H new ATOM 0 HA CYS A 149 -6.456 -1.295 4.791 1.00 53.44 H new ATOM 0 HB2 CYS A 149 -5.390 1.433 4.009 1.00 41.31 H new ATOM 0 HB3 CYS A 149 -5.651 0.043 2.974 1.00 41.31 H new ATOM 0 HG CYS A 149 -7.655 1.812 2.266 1.00 53.01 H new ATOM 956 N TYR A 150 -3.797 -1.205 4.635 1.00 65.41 N ATOM 957 CA TYR A 150 -2.399 -1.492 4.937 1.00 75.21 C ATOM 958 C TYR A 150 -1.701 -2.127 3.738 1.00 15.13 C ATOM 959 O TYR A 150 -2.298 -2.917 3.007 1.00 44.04 O ATOM 960 CB TYR A 150 -2.298 -2.419 6.149 1.00 20.34 C ATOM 961 CG TYR A 150 -2.880 -3.794 5.911 1.00 33.15 C ATOM 962 CD1 TYR A 150 -4.253 -4.003 5.948 1.00 62.44 C ATOM 963 CD2 TYR A 150 -2.058 -4.883 5.650 1.00 2.30 C ATOM 964 CE1 TYR A 150 -4.790 -5.259 5.731 1.00 51.33 C ATOM 965 CE2 TYR A 150 -2.585 -6.140 5.431 1.00 40.13 C ATOM 966 CZ TYR A 150 -3.951 -6.323 5.472 1.00 15.14 C ATOM 967 OH TYR A 150 -4.481 -7.575 5.256 1.00 31.02 O ATOM 0 H TYR A 150 -4.108 -1.539 3.723 1.00 65.41 H new ATOM 0 HA TYR A 150 -1.902 -0.549 5.166 1.00 75.21 H new ATOM 0 HB2 TYR A 150 -1.250 -2.521 6.431 1.00 20.34 H new ATOM 0 HB3 TYR A 150 -2.812 -1.957 6.992 1.00 20.34 H new ATOM 0 HD1 TYR A 150 -4.912 -3.171 6.149 1.00 62.44 H new ATOM 0 HD2 TYR A 150 -0.987 -4.744 5.618 1.00 2.30 H new ATOM 0 HE1 TYR A 150 -5.859 -5.406 5.764 1.00 51.33 H new ATOM 0 HE2 TYR A 150 -1.931 -6.975 5.229 1.00 40.13 H new ATOM 0 HH TYR A 150 -3.756 -8.212 5.087 1.00 31.02 H new ATOM 977 N ILE A 151 -0.435 -1.774 3.545 1.00 13.11 N ATOM 978 CA ILE A 151 0.345 -2.310 2.436 1.00 61.11 C ATOM 979 C ILE A 151 1.213 -3.480 2.890 1.00 50.44 C ATOM 980 O ILE A 151 2.144 -3.308 3.677 1.00 35.44 O ATOM 981 CB ILE A 151 1.247 -1.230 1.808 1.00 32.54 C ATOM 982 CG1 ILE A 151 0.439 -0.360 0.843 1.00 4.43 C ATOM 983 CG2 ILE A 151 2.424 -1.874 1.092 1.00 4.25 C ATOM 984 CD1 ILE A 151 1.204 0.840 0.329 1.00 53.40 C ATOM 0 H ILE A 151 0.072 -1.120 4.141 1.00 13.11 H new ATOM 0 HA ILE A 151 -0.367 -2.657 1.688 1.00 61.11 H new ATOM 0 HB ILE A 151 1.636 -0.593 2.603 1.00 32.54 H new ATOM 0 HG12 ILE A 151 0.121 -0.969 -0.004 1.00 4.43 H new ATOM 0 HG13 ILE A 151 -0.465 -0.017 1.346 1.00 4.43 H new ATOM 0 HG21 ILE A 151 3.052 -1.098 0.654 1.00 4.25 H new ATOM 0 HG22 ILE A 151 3.009 -2.455 1.804 1.00 4.25 H new ATOM 0 HG23 ILE A 151 2.055 -2.531 0.304 1.00 4.25 H new ATOM 0 HD11 ILE A 151 0.571 1.412 -0.350 1.00 53.40 H new ATOM 0 HD12 ILE A 151 1.499 1.470 1.168 1.00 53.40 H new ATOM 0 HD13 ILE A 151 2.094 0.504 -0.202 1.00 53.40 H new ATOM 996 N LYS A 152 0.904 -4.669 2.384 1.00 0.33 N ATOM 997 CA LYS A 152 1.656 -5.867 2.734 1.00 72.34 C ATOM 998 C LYS A 152 2.955 -5.946 1.939 1.00 50.33 C ATOM 999 O LYS A 152 2.952 -6.300 0.760 1.00 64.10 O ATOM 1000 CB LYS A 152 0.812 -7.117 2.475 1.00 61.34 C ATOM 1001 CG LYS A 152 1.598 -8.414 2.573 1.00 55.55 C ATOM 1002 CD LYS A 152 0.685 -9.626 2.506 1.00 33.44 C ATOM 1003 CE LYS A 152 1.204 -10.764 3.373 1.00 2.33 C ATOM 1004 NZ LYS A 152 0.413 -12.011 3.185 1.00 70.01 N ATOM 0 H LYS A 152 0.138 -4.828 1.730 1.00 0.33 H new ATOM 0 HA LYS A 152 1.902 -5.814 3.795 1.00 72.34 H new ATOM 0 HB2 LYS A 152 -0.010 -7.145 3.191 1.00 61.34 H new ATOM 0 HB3 LYS A 152 0.368 -7.046 1.482 1.00 61.34 H new ATOM 0 HG2 LYS A 152 2.326 -8.461 1.763 1.00 55.55 H new ATOM 0 HG3 LYS A 152 2.159 -8.431 3.508 1.00 55.55 H new ATOM 0 HD2 LYS A 152 -0.317 -9.347 2.832 1.00 33.44 H new ATOM 0 HD3 LYS A 152 0.601 -9.963 1.473 1.00 33.44 H new ATOM 0 HE2 LYS A 152 2.249 -10.957 3.131 1.00 2.33 H new ATOM 0 HE3 LYS A 152 1.169 -10.467 4.421 1.00 2.33 H new ATOM 0 HZ1 LYS A 152 0.798 -12.762 3.793 1.00 70.01 H new ATOM 0 HZ2 LYS A 152 -0.580 -11.834 3.440 1.00 70.01 H new ATOM 0 HZ3 LYS A 152 0.467 -12.310 2.190 1.00 70.01 H new ATOM 1018 N ALA A 153 4.064 -5.613 2.591 1.00 60.01 N ATOM 1019 CA ALA A 153 5.371 -5.649 1.945 1.00 20.53 C ATOM 1020 C ALA A 153 6.103 -6.950 2.260 1.00 34.13 C ATOM 1021 O ALA A 153 6.116 -7.404 3.404 1.00 64.41 O ATOM 1022 CB ALA A 153 6.206 -4.453 2.378 1.00 50.21 C ATOM 0 H ALA A 153 4.084 -5.315 3.566 1.00 60.01 H new ATOM 0 HA ALA A 153 5.218 -5.600 0.867 1.00 20.53 H new ATOM 0 HB1 ALA A 153 7.179 -4.492 1.888 1.00 50.21 H new ATOM 0 HB2 ALA A 153 5.695 -3.532 2.097 1.00 50.21 H new ATOM 0 HB3 ALA A 153 6.343 -4.477 3.459 1.00 50.21 H new ATOM 1028 N VAL A 154 6.710 -7.544 1.239 1.00 42.45 N ATOM 1029 CA VAL A 154 7.445 -8.792 1.405 1.00 31.13 C ATOM 1030 C VAL A 154 8.799 -8.731 0.707 1.00 12.35 C ATOM 1031 O VAL A 154 8.874 -8.517 -0.503 1.00 64.22 O ATOM 1032 CB VAL A 154 6.649 -9.990 0.856 1.00 62.24 C ATOM 1033 CG1 VAL A 154 7.333 -11.299 1.219 1.00 13.22 C ATOM 1034 CG2 VAL A 154 5.220 -9.963 1.376 1.00 74.05 C ATOM 0 H VAL A 154 6.707 -7.181 0.286 1.00 42.45 H new ATOM 0 HA VAL A 154 7.598 -8.928 2.476 1.00 31.13 H new ATOM 0 HB VAL A 154 6.617 -9.915 -0.231 1.00 62.24 H new ATOM 0 HG11 VAL A 154 6.755 -12.134 0.822 1.00 13.22 H new ATOM 0 HG12 VAL A 154 8.336 -11.316 0.792 1.00 13.22 H new ATOM 0 HG13 VAL A 154 7.399 -11.387 2.303 1.00 13.22 H new ATOM 0 HG21 VAL A 154 4.672 -10.817 0.978 1.00 74.05 H new ATOM 0 HG22 VAL A 154 5.228 -10.013 2.465 1.00 74.05 H new ATOM 0 HG23 VAL A 154 4.735 -9.040 1.058 1.00 74.05 H new ATOM 1044 N SER A 155 9.864 -8.920 1.478 1.00 64.22 N ATOM 1045 CA SER A 155 11.218 -8.883 0.933 1.00 74.21 C ATOM 1046 C SER A 155 11.699 -10.287 0.579 1.00 74.25 C ATOM 1047 O SER A 155 11.398 -11.253 1.279 1.00 31.43 O ATOM 1048 CB SER A 155 12.177 -8.241 1.937 1.00 71.51 C ATOM 1049 OG SER A 155 12.835 -9.226 2.714 1.00 21.42 O ATOM 0 H SER A 155 9.817 -9.100 2.481 1.00 64.22 H new ATOM 0 HA SER A 155 11.201 -8.283 0.023 1.00 74.21 H new ATOM 0 HB2 SER A 155 12.915 -7.639 1.406 1.00 71.51 H new ATOM 0 HB3 SER A 155 11.625 -7.566 2.591 1.00 71.51 H new ATOM 0 HG SER A 155 13.443 -8.791 3.347 1.00 21.42 H new ATOM 1055 N SER A 156 12.448 -10.390 -0.514 1.00 62.10 N ATOM 1056 CA SER A 156 12.968 -11.675 -0.965 1.00 63.34 C ATOM 1057 C SER A 156 14.427 -11.551 -1.395 1.00 63.04 C ATOM 1058 O SER A 156 14.796 -10.623 -2.114 1.00 60.25 O ATOM 1059 CB SER A 156 12.127 -12.211 -2.125 1.00 73.55 C ATOM 1060 OG SER A 156 12.876 -13.108 -2.927 1.00 21.30 O ATOM 0 H SER A 156 12.708 -9.599 -1.103 1.00 62.10 H new ATOM 0 HA SER A 156 12.911 -12.374 -0.131 1.00 63.34 H new ATOM 0 HB2 SER A 156 11.244 -12.718 -1.735 1.00 73.55 H new ATOM 0 HB3 SER A 156 11.774 -11.380 -2.736 1.00 73.55 H new ATOM 0 HG SER A 156 12.315 -13.437 -3.660 1.00 21.30 H new ATOM 1066 N GLY A 157 15.252 -12.492 -0.947 1.00 71.13 N ATOM 1067 CA GLY A 157 16.661 -12.470 -1.295 1.00 64.42 C ATOM 1068 C GLY A 157 17.556 -12.764 -0.108 1.00 34.40 C ATOM 1069 O GLY A 157 17.086 -12.844 1.028 1.00 24.14 O ATOM 0 H GLY A 157 14.970 -13.269 -0.349 1.00 71.13 H new ATOM 0 HA2 GLY A 157 16.850 -13.203 -2.079 1.00 64.42 H new ATOM 0 HA3 GLY A 157 16.916 -11.493 -1.705 1.00 64.42 H new ATOM 1073 N LYS A 158 18.848 -12.928 -0.368 1.00 54.41 N ATOM 1074 CA LYS A 158 19.812 -13.215 0.687 1.00 4.20 C ATOM 1075 C LYS A 158 19.817 -12.107 1.735 1.00 1.03 C ATOM 1076 O LYS A 158 20.116 -12.348 2.905 1.00 11.42 O ATOM 1077 CB LYS A 158 21.213 -13.378 0.096 1.00 65.53 C ATOM 1078 CG LYS A 158 21.321 -14.511 -0.912 1.00 34.44 C ATOM 1079 CD LYS A 158 22.315 -15.567 -0.459 1.00 40.34 C ATOM 1080 CE LYS A 158 22.215 -16.826 -1.307 1.00 14.10 C ATOM 1081 NZ LYS A 158 23.557 -17.372 -1.651 1.00 31.45 N ATOM 0 H LYS A 158 19.252 -12.867 -1.302 1.00 54.41 H new ATOM 0 HA LYS A 158 19.518 -14.147 1.170 1.00 4.20 H new ATOM 0 HB2 LYS A 158 21.506 -12.445 -0.386 1.00 65.53 H new ATOM 0 HB3 LYS A 158 21.921 -13.554 0.905 1.00 65.53 H new ATOM 0 HG2 LYS A 158 20.342 -14.968 -1.053 1.00 34.44 H new ATOM 0 HG3 LYS A 158 21.628 -14.111 -1.878 1.00 34.44 H new ATOM 0 HD2 LYS A 158 23.327 -15.166 -0.519 1.00 40.34 H new ATOM 0 HD3 LYS A 158 22.132 -15.816 0.586 1.00 40.34 H new ATOM 0 HE2 LYS A 158 21.643 -17.582 -0.769 1.00 14.10 H new ATOM 0 HE3 LYS A 158 21.668 -16.604 -2.223 1.00 14.10 H new ATOM 0 HZ1 LYS A 158 23.445 -18.229 -2.229 1.00 31.45 H new ATOM 0 HZ2 LYS A 158 24.094 -16.661 -2.187 1.00 31.45 H new ATOM 0 HZ3 LYS A 158 24.070 -17.608 -0.778 1.00 31.45 H new ATOM 1095 N ARG A 159 19.484 -10.894 1.308 1.00 12.14 N ATOM 1096 CA ARG A 159 19.450 -9.748 2.211 1.00 24.30 C ATOM 1097 C ARG A 159 18.388 -8.744 1.775 1.00 62.22 C ATOM 1098 O ARG A 159 17.423 -8.492 2.497 1.00 11.43 O ATOM 1099 CB ARG A 159 20.820 -9.069 2.258 1.00 30.42 C ATOM 1100 CG ARG A 159 21.657 -9.472 3.462 1.00 11.35 C ATOM 1101 CD ARG A 159 22.992 -10.066 3.040 1.00 50.52 C ATOM 1102 NE ARG A 159 23.403 -11.163 3.911 1.00 30.43 N ATOM 1103 CZ ARG A 159 24.539 -11.834 3.761 1.00 72.41 C ATOM 1104 NH1 ARG A 159 25.373 -11.522 2.779 1.00 61.12 N ATOM 1105 NH2 ARG A 159 24.843 -12.821 4.596 1.00 23.00 N ATOM 0 H ARG A 159 19.234 -10.678 0.343 1.00 12.14 H new ATOM 0 HA ARG A 159 19.196 -10.109 3.208 1.00 24.30 H new ATOM 0 HB2 ARG A 159 21.368 -9.311 1.347 1.00 30.42 H new ATOM 0 HB3 ARG A 159 20.681 -7.988 2.268 1.00 30.42 H new ATOM 0 HG2 ARG A 159 21.829 -8.601 4.095 1.00 11.35 H new ATOM 0 HG3 ARG A 159 21.108 -10.198 4.061 1.00 11.35 H new ATOM 0 HD2 ARG A 159 22.920 -10.426 2.014 1.00 50.52 H new ATOM 0 HD3 ARG A 159 23.755 -9.288 3.053 1.00 50.52 H new ATOM 0 HE ARG A 159 22.784 -11.429 4.677 1.00 30.43 H new ATOM 0 HH11 ARG A 159 25.143 -10.764 2.136 1.00 61.12 H new ATOM 0 HH12 ARG A 159 26.245 -12.039 2.667 1.00 61.12 H new ATOM 0 HH21 ARG A 159 24.204 -13.064 5.353 1.00 23.00 H new ATOM 0 HH22 ARG A 159 25.716 -13.336 4.480 1.00 23.00 H new ATOM 1119 N LYS A 160 18.572 -8.173 0.590 1.00 51.23 N ATOM 1120 CA LYS A 160 17.630 -7.195 0.056 1.00 63.24 C ATOM 1121 C LYS A 160 17.653 -7.196 -1.469 1.00 41.35 C ATOM 1122 O LYS A 160 17.664 -6.138 -2.098 1.00 22.01 O ATOM 1123 CB LYS A 160 17.962 -5.797 0.581 1.00 33.14 C ATOM 1124 CG LYS A 160 16.772 -4.853 0.590 1.00 74.02 C ATOM 1125 CD LYS A 160 16.303 -4.560 2.005 1.00 75.51 C ATOM 1126 CE LYS A 160 15.475 -5.707 2.566 1.00 1.41 C ATOM 1127 NZ LYS A 160 15.470 -5.709 4.056 1.00 64.53 N ATOM 0 H LYS A 160 19.365 -8.370 -0.020 1.00 51.23 H new ATOM 0 HA LYS A 160 16.629 -7.472 0.387 1.00 63.24 H new ATOM 0 HB2 LYS A 160 18.355 -5.882 1.594 1.00 33.14 H new ATOM 0 HB3 LYS A 160 18.753 -5.366 -0.033 1.00 33.14 H new ATOM 0 HG2 LYS A 160 17.043 -3.920 0.095 1.00 74.02 H new ATOM 0 HG3 LYS A 160 15.954 -5.292 0.018 1.00 74.02 H new ATOM 0 HD2 LYS A 160 17.166 -4.385 2.647 1.00 75.51 H new ATOM 0 HD3 LYS A 160 15.711 -3.645 2.011 1.00 75.51 H new ATOM 0 HE2 LYS A 160 14.451 -5.630 2.199 1.00 1.41 H new ATOM 0 HE3 LYS A 160 15.873 -6.654 2.203 1.00 1.41 H new ATOM 0 HZ1 LYS A 160 14.896 -6.505 4.400 1.00 64.53 H new ATOM 0 HZ2 LYS A 160 16.444 -5.808 4.406 1.00 64.53 H new ATOM 0 HZ3 LYS A 160 15.067 -4.815 4.403 1.00 64.53 H new ATOM 1141 N GLU A 161 17.657 -8.387 -2.057 1.00 65.44 N ATOM 1142 CA GLU A 161 17.678 -8.523 -3.509 1.00 63.14 C ATOM 1143 C GLU A 161 16.485 -7.810 -4.139 1.00 32.12 C ATOM 1144 O GLU A 161 16.649 -6.912 -4.964 1.00 31.43 O ATOM 1145 CB GLU A 161 17.670 -10.001 -3.905 1.00 43.32 C ATOM 1146 CG GLU A 161 17.869 -10.233 -5.394 1.00 52.10 C ATOM 1147 CD GLU A 161 19.261 -10.736 -5.726 1.00 12.54 C ATOM 1148 OE1 GLU A 161 20.185 -10.493 -4.922 1.00 62.02 O ATOM 1149 OE2 GLU A 161 19.425 -11.370 -6.788 1.00 62.04 O ATOM 0 H GLU A 161 17.646 -9.272 -1.551 1.00 65.44 H new ATOM 0 HA GLU A 161 18.593 -8.060 -3.879 1.00 63.14 H new ATOM 0 HB2 GLU A 161 18.456 -10.520 -3.357 1.00 43.32 H new ATOM 0 HB3 GLU A 161 16.722 -10.445 -3.600 1.00 43.32 H new ATOM 0 HG2 GLU A 161 17.132 -10.955 -5.747 1.00 52.10 H new ATOM 0 HG3 GLU A 161 17.686 -9.302 -5.931 1.00 52.10 H new ATOM 1156 N GLY A 162 15.282 -8.218 -3.743 1.00 5.23 N ATOM 1157 CA GLY A 162 14.079 -7.608 -4.278 1.00 31.43 C ATOM 1158 C GLY A 162 12.967 -7.520 -3.251 1.00 64.13 C ATOM 1159 O GLY A 162 13.001 -8.209 -2.230 1.00 42.13 O ATOM 0 H GLY A 162 15.120 -8.960 -3.062 1.00 5.23 H new ATOM 0 HA2 GLY A 162 14.314 -6.608 -4.642 1.00 31.43 H new ATOM 0 HA3 GLY A 162 13.733 -8.186 -5.135 1.00 31.43 H new ATOM 1163 N ILE A 163 11.982 -6.671 -3.520 1.00 21.05 N ATOM 1164 CA ILE A 163 10.856 -6.496 -2.611 1.00 11.01 C ATOM 1165 C ILE A 163 9.564 -6.238 -3.379 1.00 31.33 C ATOM 1166 O ILE A 163 9.573 -5.597 -4.430 1.00 33.30 O ATOM 1167 CB ILE A 163 11.099 -5.331 -1.632 1.00 73.52 C ATOM 1168 CG1 ILE A 163 12.400 -5.550 -0.857 1.00 73.24 C ATOM 1169 CG2 ILE A 163 9.924 -5.190 -0.676 1.00 33.43 C ATOM 1170 CD1 ILE A 163 12.714 -4.442 0.123 1.00 41.23 C ATOM 0 H ILE A 163 11.940 -6.093 -4.360 1.00 21.05 H new ATOM 0 HA ILE A 163 10.761 -7.423 -2.045 1.00 11.01 H new ATOM 0 HB ILE A 163 11.190 -4.408 -2.204 1.00 73.52 H new ATOM 0 HG12 ILE A 163 12.337 -6.495 -0.317 1.00 73.24 H new ATOM 0 HG13 ILE A 163 13.224 -5.642 -1.565 1.00 73.24 H new ATOM 0 HG21 ILE A 163 10.110 -4.363 0.010 1.00 33.43 H new ATOM 0 HG22 ILE A 163 9.015 -4.993 -1.244 1.00 33.43 H new ATOM 0 HG23 ILE A 163 9.804 -6.112 -0.108 1.00 33.43 H new ATOM 0 HD11 ILE A 163 13.650 -4.664 0.636 1.00 41.23 H new ATOM 0 HD12 ILE A 163 12.810 -3.498 -0.414 1.00 41.23 H new ATOM 0 HD13 ILE A 163 11.909 -4.364 0.854 1.00 41.23 H new ATOM 1182 N ILE A 164 8.455 -6.742 -2.847 1.00 21.14 N ATOM 1183 CA ILE A 164 7.155 -6.564 -3.480 1.00 43.30 C ATOM 1184 C ILE A 164 6.100 -6.142 -2.463 1.00 62.21 C ATOM 1185 O ILE A 164 5.877 -6.828 -1.464 1.00 75.05 O ATOM 1186 CB ILE A 164 6.690 -7.853 -4.182 1.00 60.33 C ATOM 1187 CG1 ILE A 164 7.714 -8.286 -5.233 1.00 73.34 C ATOM 1188 CG2 ILE A 164 5.323 -7.645 -4.819 1.00 63.23 C ATOM 1189 CD1 ILE A 164 7.469 -9.676 -5.779 1.00 51.52 C ATOM 0 H ILE A 164 8.432 -7.277 -1.979 1.00 21.14 H new ATOM 0 HA ILE A 164 7.272 -5.777 -4.225 1.00 43.30 H new ATOM 0 HB ILE A 164 6.606 -8.645 -3.438 1.00 60.33 H new ATOM 0 HG12 ILE A 164 7.700 -7.573 -6.057 1.00 73.34 H new ATOM 0 HG13 ILE A 164 8.711 -8.247 -4.795 1.00 73.34 H new ATOM 0 HG21 ILE A 164 5.007 -8.565 -5.312 1.00 63.23 H new ATOM 0 HG22 ILE A 164 4.599 -7.379 -4.049 1.00 63.23 H new ATOM 0 HG23 ILE A 164 5.382 -6.842 -5.554 1.00 63.23 H new ATOM 0 HD11 ILE A 164 8.233 -9.916 -6.519 1.00 51.52 H new ATOM 0 HD12 ILE A 164 7.512 -10.400 -4.965 1.00 51.52 H new ATOM 0 HD13 ILE A 164 6.485 -9.715 -6.247 1.00 51.52 H new ATOM 1201 N HIS A 165 5.453 -5.011 -2.723 1.00 3.11 N ATOM 1202 CA HIS A 165 4.418 -4.500 -1.831 1.00 4.43 C ATOM 1203 C HIS A 165 3.030 -4.739 -2.414 1.00 71.25 C ATOM 1204 O HIS A 165 2.803 -4.541 -3.608 1.00 63.54 O ATOM 1205 CB HIS A 165 4.627 -3.006 -1.578 1.00 52.03 C ATOM 1206 CG HIS A 165 6.068 -2.614 -1.460 1.00 13.22 C ATOM 1207 ND1 HIS A 165 6.873 -2.370 -2.552 1.00 0.43 N ATOM 1208 CD2 HIS A 165 6.846 -2.421 -0.369 1.00 61.31 C ATOM 1209 CE1 HIS A 165 8.085 -2.046 -2.138 1.00 62.12 C ATOM 1210 NE2 HIS A 165 8.095 -2.069 -0.818 1.00 41.12 N ATOM 0 H HIS A 165 5.627 -4.431 -3.544 1.00 3.11 H new ATOM 0 HA HIS A 165 4.492 -5.036 -0.885 1.00 4.43 H new ATOM 0 HB2 HIS A 165 4.171 -2.441 -2.391 1.00 52.03 H new ATOM 0 HB3 HIS A 165 4.106 -2.725 -0.663 1.00 52.03 H new ATOM 0 HD1 HIS A 165 6.579 -2.430 -3.527 1.00 0.43 H new ATOM 0 HD2 HIS A 165 6.541 -2.525 0.662 1.00 61.31 H new ATOM 0 HE1 HIS A 165 8.925 -1.803 -2.772 1.00 62.12 H new ATOM 1218 N THR A 166 2.102 -5.169 -1.565 1.00 14.13 N ATOM 1219 CA THR A 166 0.736 -5.439 -1.995 1.00 43.44 C ATOM 1220 C THR A 166 -0.272 -4.693 -1.129 1.00 24.12 C ATOM 1221 O THR A 166 -0.475 -5.034 0.037 1.00 14.55 O ATOM 1222 CB THR A 166 0.420 -6.945 -1.950 1.00 53.23 C ATOM 1223 OG1 THR A 166 1.595 -7.683 -1.596 1.00 41.40 O ATOM 1224 CG2 THR A 166 -0.102 -7.429 -3.295 1.00 31.22 C ATOM 0 H THR A 166 2.272 -5.338 -0.574 1.00 14.13 H new ATOM 0 HA THR A 166 0.655 -5.089 -3.024 1.00 43.44 H new ATOM 0 HB THR A 166 -0.352 -7.109 -1.198 1.00 53.23 H new ATOM 0 HG1 THR A 166 1.384 -8.640 -1.568 1.00 41.40 H new ATOM 0 HG21 THR A 166 -0.318 -8.496 -3.239 1.00 31.22 H new ATOM 0 HG22 THR A 166 -1.013 -6.887 -3.548 1.00 31.22 H new ATOM 0 HG23 THR A 166 0.651 -7.251 -4.063 1.00 31.22 H new ATOM 1232 N LEU A 167 -0.901 -3.674 -1.704 1.00 23.02 N ATOM 1233 CA LEU A 167 -1.890 -2.880 -0.983 1.00 42.22 C ATOM 1234 C LEU A 167 -3.122 -3.716 -0.651 1.00 13.32 C ATOM 1235 O LEU A 167 -3.618 -4.468 -1.490 1.00 25.02 O ATOM 1236 CB LEU A 167 -2.295 -1.659 -1.811 1.00 62.12 C ATOM 1237 CG LEU A 167 -3.587 -0.960 -1.389 1.00 34.01 C ATOM 1238 CD1 LEU A 167 -3.499 -0.505 0.060 1.00 3.20 C ATOM 1239 CD2 LEU A 167 -3.878 0.220 -2.304 1.00 32.02 C ATOM 0 H LEU A 167 -0.744 -3.378 -2.667 1.00 23.02 H new ATOM 0 HA LEU A 167 -1.440 -2.544 -0.049 1.00 42.22 H new ATOM 0 HB2 LEU A 167 -1.483 -0.933 -1.771 1.00 62.12 H new ATOM 0 HB3 LEU A 167 -2.396 -1.968 -2.851 1.00 62.12 H new ATOM 0 HG LEU A 167 -4.408 -1.672 -1.475 1.00 34.01 H new ATOM 0 HD11 LEU A 167 -4.428 -0.009 0.343 1.00 3.20 H new ATOM 0 HD12 LEU A 167 -3.338 -1.370 0.704 1.00 3.20 H new ATOM 0 HD13 LEU A 167 -2.668 0.191 0.173 1.00 3.20 H new ATOM 0 HD21 LEU A 167 -4.801 0.706 -1.989 1.00 32.02 H new ATOM 0 HD22 LEU A 167 -3.056 0.934 -2.250 1.00 32.02 H new ATOM 0 HD23 LEU A 167 -3.985 -0.133 -3.330 1.00 32.02 H new ATOM 1251 N ILE A 168 -3.612 -3.575 0.576 1.00 72.22 N ATOM 1252 CA ILE A 168 -4.789 -4.314 1.017 1.00 40.43 C ATOM 1253 C ILE A 168 -5.776 -3.400 1.735 1.00 51.31 C ATOM 1254 O ILE A 168 -5.404 -2.662 2.648 1.00 71.24 O ATOM 1255 CB ILE A 168 -4.406 -5.474 1.954 1.00 70.52 C ATOM 1256 CG1 ILE A 168 -3.379 -6.385 1.280 1.00 24.43 C ATOM 1257 CG2 ILE A 168 -5.644 -6.265 2.350 1.00 63.42 C ATOM 1258 CD1 ILE A 168 -3.151 -7.688 2.015 1.00 51.51 C ATOM 0 H ILE A 168 -3.213 -2.956 1.282 1.00 72.22 H new ATOM 0 HA ILE A 168 -5.260 -4.720 0.122 1.00 40.43 H new ATOM 0 HB ILE A 168 -3.959 -5.059 2.857 1.00 70.52 H new ATOM 0 HG12 ILE A 168 -3.710 -6.603 0.265 1.00 24.43 H new ATOM 0 HG13 ILE A 168 -2.431 -5.853 1.199 1.00 24.43 H new ATOM 0 HG21 ILE A 168 -5.357 -7.082 3.012 1.00 63.42 H new ATOM 0 HG22 ILE A 168 -6.346 -5.609 2.865 1.00 63.42 H new ATOM 0 HG23 ILE A 168 -6.117 -6.672 1.456 1.00 63.42 H new ATOM 0 HD11 ILE A 168 -2.411 -8.283 1.480 1.00 51.51 H new ATOM 0 HD12 ILE A 168 -2.790 -7.479 3.022 1.00 51.51 H new ATOM 0 HD13 ILE A 168 -4.088 -8.242 2.073 1.00 51.51 H new ATOM 1270 N VAL A 169 -7.036 -3.453 1.317 1.00 41.23 N ATOM 1271 CA VAL A 169 -8.078 -2.632 1.921 1.00 1.44 C ATOM 1272 C VAL A 169 -9.264 -3.484 2.361 1.00 44.11 C ATOM 1273 O VAL A 169 -9.915 -4.130 1.540 1.00 51.32 O ATOM 1274 CB VAL A 169 -8.574 -1.546 0.947 1.00 23.11 C ATOM 1275 CG1 VAL A 169 -9.727 -0.766 1.559 1.00 74.34 C ATOM 1276 CG2 VAL A 169 -7.433 -0.615 0.563 1.00 11.45 C ATOM 0 H VAL A 169 -7.360 -4.057 0.561 1.00 41.23 H new ATOM 0 HA VAL A 169 -7.635 -2.152 2.794 1.00 1.44 H new ATOM 0 HB VAL A 169 -8.937 -2.032 0.041 1.00 23.11 H new ATOM 0 HG11 VAL A 169 -10.064 -0.004 0.857 1.00 74.34 H new ATOM 0 HG12 VAL A 169 -10.550 -1.446 1.779 1.00 74.34 H new ATOM 0 HG13 VAL A 169 -9.395 -0.289 2.481 1.00 74.34 H new ATOM 0 HG21 VAL A 169 -7.800 0.146 -0.125 1.00 11.45 H new ATOM 0 HG22 VAL A 169 -7.038 -0.135 1.458 1.00 11.45 H new ATOM 0 HG23 VAL A 169 -6.642 -1.189 0.081 1.00 11.45 H new ATOM 1286 N ASP A 170 -9.537 -3.480 3.661 1.00 61.24 N ATOM 1287 CA ASP A 170 -10.646 -4.252 4.211 1.00 72.33 C ATOM 1288 C ASP A 170 -10.424 -5.747 4.001 1.00 13.03 C ATOM 1289 O ASP A 170 -11.353 -6.481 3.669 1.00 60.33 O ATOM 1290 CB ASP A 170 -11.964 -3.823 3.563 1.00 22.45 C ATOM 1291 CG ASP A 170 -13.100 -3.742 4.563 1.00 11.02 C ATOM 1292 OD1 ASP A 170 -13.614 -4.807 4.966 1.00 40.40 O ATOM 1293 OD2 ASP A 170 -13.477 -2.613 4.944 1.00 63.13 O ATOM 0 H ASP A 170 -9.006 -2.951 4.353 1.00 61.24 H new ATOM 0 HA ASP A 170 -10.697 -4.058 5.282 1.00 72.33 H new ATOM 0 HB2 ASP A 170 -11.832 -2.851 3.087 1.00 22.45 H new ATOM 0 HB3 ASP A 170 -12.226 -4.530 2.776 1.00 22.45 H new ATOM 1298 N ASN A 171 -9.187 -6.189 4.198 1.00 65.40 N ATOM 1299 CA ASN A 171 -8.842 -7.597 4.030 1.00 73.12 C ATOM 1300 C ASN A 171 -9.049 -8.037 2.584 1.00 73.43 C ATOM 1301 O ASN A 171 -9.578 -9.118 2.322 1.00 31.25 O ATOM 1302 CB ASN A 171 -9.686 -8.465 4.965 1.00 31.02 C ATOM 1303 CG ASN A 171 -8.900 -9.626 5.543 1.00 23.13 C ATOM 1304 OD1 ASN A 171 -9.058 -10.770 5.119 1.00 4.00 O ATOM 1305 ND2 ASN A 171 -8.045 -9.334 6.517 1.00 42.24 N ATOM 0 H ASN A 171 -8.406 -5.593 4.474 1.00 65.40 H new ATOM 0 HA ASN A 171 -7.789 -7.721 4.282 1.00 73.12 H new ATOM 0 HB2 ASN A 171 -10.071 -7.850 5.778 1.00 31.02 H new ATOM 0 HB3 ASN A 171 -10.548 -8.849 4.420 1.00 31.02 H new ATOM 0 HD21 ASN A 171 -7.487 -10.073 6.944 1.00 42.24 H new ATOM 0 HD22 ASN A 171 -7.946 -8.371 6.837 1.00 42.24 H new ATOM 1312 N ARG A 172 -8.627 -7.193 1.647 1.00 34.33 N ATOM 1313 CA ARG A 172 -8.765 -7.495 0.228 1.00 74.44 C ATOM 1314 C ARG A 172 -7.514 -7.082 -0.541 1.00 35.23 C ATOM 1315 O ARG A 172 -7.119 -5.917 -0.520 1.00 63.22 O ATOM 1316 CB ARG A 172 -9.991 -6.783 -0.349 1.00 63.11 C ATOM 1317 CG ARG A 172 -11.250 -6.969 0.482 1.00 41.22 C ATOM 1318 CD ARG A 172 -12.491 -7.032 -0.395 1.00 63.34 C ATOM 1319 NE ARG A 172 -12.848 -5.724 -0.935 1.00 55.42 N ATOM 1320 CZ ARG A 172 -13.754 -5.545 -1.891 1.00 23.33 C ATOM 1321 NH1 ARG A 172 -14.389 -6.587 -2.410 1.00 13.44 N ATOM 1322 NH2 ARG A 172 -14.024 -4.322 -2.329 1.00 73.02 N ATOM 0 H ARG A 172 -8.187 -6.295 1.846 1.00 34.33 H new ATOM 0 HA ARG A 172 -8.895 -8.572 0.122 1.00 74.44 H new ATOM 0 HB2 ARG A 172 -9.776 -5.718 -0.434 1.00 63.11 H new ATOM 0 HB3 ARG A 172 -10.174 -7.152 -1.358 1.00 63.11 H new ATOM 0 HG2 ARG A 172 -11.169 -7.885 1.067 1.00 41.22 H new ATOM 0 HG3 ARG A 172 -11.345 -6.146 1.190 1.00 41.22 H new ATOM 0 HD2 ARG A 172 -12.319 -7.728 -1.216 1.00 63.34 H new ATOM 0 HD3 ARG A 172 -13.326 -7.424 0.186 1.00 63.34 H new ATOM 0 HE ARG A 172 -12.376 -4.902 -0.558 1.00 55.42 H new ATOM 0 HH11 ARG A 172 -14.183 -7.528 -2.076 1.00 13.44 H new ATOM 0 HH12 ARG A 172 -15.084 -6.447 -3.144 1.00 13.44 H new ATOM 0 HH21 ARG A 172 -13.536 -3.519 -1.932 1.00 73.02 H new ATOM 0 HH22 ARG A 172 -14.719 -4.185 -3.063 1.00 73.02 H new ATOM 1336 N GLU A 173 -6.896 -8.045 -1.217 1.00 21.34 N ATOM 1337 CA GLU A 173 -5.689 -7.780 -1.991 1.00 21.32 C ATOM 1338 C GLU A 173 -5.972 -6.794 -3.121 1.00 20.41 C ATOM 1339 O GLU A 173 -7.063 -6.786 -3.692 1.00 12.23 O ATOM 1340 CB GLU A 173 -5.128 -9.083 -2.564 1.00 44.32 C ATOM 1341 CG GLU A 173 -3.631 -9.040 -2.822 1.00 51.15 C ATOM 1342 CD GLU A 173 -3.032 -10.420 -3.012 1.00 3.45 C ATOM 1343 OE1 GLU A 173 -3.114 -10.953 -4.138 1.00 52.40 O ATOM 1344 OE2 GLU A 173 -2.481 -10.967 -2.033 1.00 43.24 O ATOM 0 H GLU A 173 -7.211 -9.015 -1.244 1.00 21.34 H new ATOM 0 HA GLU A 173 -4.950 -7.337 -1.323 1.00 21.32 H new ATOM 0 HB2 GLU A 173 -5.346 -9.897 -1.873 1.00 44.32 H new ATOM 0 HB3 GLU A 173 -5.643 -9.311 -3.497 1.00 44.32 H new ATOM 0 HG2 GLU A 173 -3.436 -8.438 -3.710 1.00 51.15 H new ATOM 0 HG3 GLU A 173 -3.136 -8.545 -1.986 1.00 51.15 H new ATOM 1351 N ILE A 174 -4.983 -5.966 -3.438 1.00 4.24 N ATOM 1352 CA ILE A 174 -5.126 -4.978 -4.498 1.00 42.52 C ATOM 1353 C ILE A 174 -4.032 -5.138 -5.550 1.00 54.33 C ATOM 1354 O ILE A 174 -2.846 -5.243 -5.237 1.00 61.34 O ATOM 1355 CB ILE A 174 -5.078 -3.543 -3.941 1.00 52.21 C ATOM 1356 CG1 ILE A 174 -6.206 -3.328 -2.928 1.00 43.55 C ATOM 1357 CG2 ILE A 174 -5.176 -2.531 -5.073 1.00 41.53 C ATOM 1358 CD1 ILE A 174 -7.189 -2.253 -3.338 1.00 63.24 C ATOM 0 H ILE A 174 -4.074 -5.960 -2.975 1.00 4.24 H new ATOM 0 HA ILE A 174 -6.099 -5.149 -4.958 1.00 42.52 H new ATOM 0 HB ILE A 174 -4.125 -3.398 -3.432 1.00 52.21 H new ATOM 0 HG12 ILE A 174 -6.743 -4.266 -2.790 1.00 43.55 H new ATOM 0 HG13 ILE A 174 -5.772 -3.064 -1.964 1.00 43.55 H new ATOM 0 HG21 ILE A 174 -5.141 -1.522 -4.663 1.00 41.53 H new ATOM 0 HG22 ILE A 174 -4.342 -2.673 -5.761 1.00 41.53 H new ATOM 0 HG23 ILE A 174 -6.115 -2.673 -5.607 1.00 41.53 H new ATOM 0 HD11 ILE A 174 -7.960 -2.155 -2.574 1.00 63.24 H new ATOM 0 HD12 ILE A 174 -6.665 -1.304 -3.449 1.00 63.24 H new ATOM 0 HD13 ILE A 174 -7.651 -2.525 -4.287 1.00 63.24 H new ATOM 1370 N PRO A 175 -4.440 -5.156 -6.828 1.00 61.44 N ATOM 1371 CA PRO A 175 -3.511 -5.302 -7.952 1.00 42.35 C ATOM 1372 C PRO A 175 -2.637 -4.067 -8.146 1.00 41.45 C ATOM 1373 O PRO A 175 -3.129 -2.939 -8.134 1.00 74.43 O ATOM 1374 CB PRO A 175 -4.437 -5.495 -9.156 1.00 32.02 C ATOM 1375 CG PRO A 175 -5.714 -4.839 -8.760 1.00 13.34 C ATOM 1376 CD PRO A 175 -5.838 -5.036 -7.274 1.00 63.02 C ATOM 0 HA PRO A 175 -2.812 -6.124 -7.798 1.00 42.35 H new ATOM 0 HB2 PRO A 175 -4.019 -5.039 -10.054 1.00 32.02 H new ATOM 0 HB3 PRO A 175 -4.586 -6.552 -9.375 1.00 32.02 H new ATOM 0 HG2 PRO A 175 -5.703 -3.779 -9.013 1.00 13.34 H new ATOM 0 HG3 PRO A 175 -6.560 -5.283 -9.284 1.00 13.34 H new ATOM 0 HD2 PRO A 175 -6.341 -4.194 -6.798 1.00 63.02 H new ATOM 0 HD3 PRO A 175 -6.415 -5.929 -7.034 1.00 63.02 H new ATOM 1384 N GLU A 176 -1.338 -4.288 -8.324 1.00 34.11 N ATOM 1385 CA GLU A 176 -0.397 -3.192 -8.520 1.00 32.21 C ATOM 1386 C GLU A 176 -0.247 -2.861 -10.002 1.00 24.32 C ATOM 1387 O GLU A 176 -0.623 -3.652 -10.867 1.00 62.22 O ATOM 1388 CB GLU A 176 0.967 -3.549 -7.925 1.00 61.23 C ATOM 1389 CG GLU A 176 1.712 -2.357 -7.349 1.00 13.41 C ATOM 1390 CD GLU A 176 3.048 -2.120 -8.026 1.00 72.50 C ATOM 1391 OE1 GLU A 176 3.940 -2.984 -7.893 1.00 71.41 O ATOM 1392 OE2 GLU A 176 3.202 -1.072 -8.688 1.00 30.13 O ATOM 0 H GLU A 176 -0.914 -5.216 -8.336 1.00 34.11 H new ATOM 0 HA GLU A 176 -0.790 -2.314 -8.008 1.00 32.21 H new ATOM 0 HB2 GLU A 176 0.828 -4.293 -7.141 1.00 61.23 H new ATOM 0 HB3 GLU A 176 1.581 -4.011 -8.698 1.00 61.23 H new ATOM 0 HG2 GLU A 176 1.095 -1.464 -7.450 1.00 13.41 H new ATOM 0 HG3 GLU A 176 1.872 -2.515 -6.282 1.00 13.41 H new ATOM 1399 N LEU A 177 0.304 -1.686 -10.287 1.00 14.11 N ATOM 1400 CA LEU A 177 0.503 -1.249 -11.663 1.00 45.44 C ATOM 1401 C LEU A 177 1.248 -2.309 -12.470 1.00 34.24 C ATOM 1402 O LEU A 177 0.658 -3.001 -13.300 1.00 33.13 O ATOM 1403 CB LEU A 177 1.280 0.069 -11.694 1.00 63.31 C ATOM 1404 CG LEU A 177 1.752 0.538 -13.070 1.00 51.42 C ATOM 1405 CD1 LEU A 177 0.587 0.582 -14.048 1.00 25.54 C ATOM 1406 CD2 LEU A 177 2.416 1.904 -12.969 1.00 71.02 C ATOM 0 H LEU A 177 0.621 -1.019 -9.583 1.00 14.11 H new ATOM 0 HA LEU A 177 -0.478 -1.097 -12.114 1.00 45.44 H new ATOM 0 HB2 LEU A 177 0.652 0.848 -11.263 1.00 63.31 H new ATOM 0 HB3 LEU A 177 2.152 -0.031 -11.048 1.00 63.31 H new ATOM 0 HG LEU A 177 2.487 -0.175 -13.443 1.00 51.42 H new ATOM 0 HD11 LEU A 177 0.942 0.918 -15.022 1.00 25.54 H new ATOM 0 HD12 LEU A 177 0.154 -0.414 -14.143 1.00 25.54 H new ATOM 0 HD13 LEU A 177 -0.171 1.273 -13.680 1.00 25.54 H new ATOM 0 HD21 LEU A 177 2.746 2.222 -13.958 1.00 71.02 H new ATOM 0 HD22 LEU A 177 1.702 2.627 -12.574 1.00 71.02 H new ATOM 0 HD23 LEU A 177 3.276 1.842 -12.302 1.00 71.02 H new ATOM 1418 N THR A 178 2.547 -2.433 -12.217 1.00 23.01 N ATOM 1419 CA THR A 178 3.372 -3.409 -12.918 1.00 20.50 C ATOM 1420 C THR A 178 3.112 -3.372 -14.419 1.00 62.13 C ATOM 1421 O THR A 178 2.407 -4.226 -14.957 1.00 31.34 O ATOM 1422 CB THR A 178 3.116 -4.837 -12.399 1.00 3.00 C ATOM 1423 OG1 THR A 178 1.734 -4.994 -12.059 1.00 35.14 O ATOM 1424 CG2 THR A 178 3.979 -5.133 -11.182 1.00 3.12 C ATOM 0 H THR A 178 3.050 -1.870 -11.532 1.00 23.01 H new ATOM 0 HA THR A 178 4.411 -3.141 -12.726 1.00 20.50 H new ATOM 0 HB THR A 178 3.378 -5.540 -13.190 1.00 3.00 H new ATOM 0 HG1 THR A 178 1.177 -4.684 -12.803 1.00 35.14 H new ATOM 0 HG21 THR A 178 3.781 -6.147 -10.833 1.00 3.12 H new ATOM 0 HG22 THR A 178 5.031 -5.041 -11.451 1.00 3.12 H new ATOM 0 HG23 THR A 178 3.744 -4.424 -10.388 1.00 3.12 H new ATOM 1432 N GLN A 179 3.686 -2.380 -15.091 1.00 13.41 N ATOM 1433 CA GLN A 179 3.515 -2.233 -16.531 1.00 12.10 C ATOM 1434 C GLN A 179 4.241 -3.345 -17.281 1.00 74.34 C ATOM 1435 O GLN A 179 4.702 -4.315 -16.679 1.00 40.04 O ATOM 1436 CB GLN A 179 4.034 -0.869 -16.992 1.00 12.35 C ATOM 1437 CG GLN A 179 3.037 -0.094 -17.839 1.00 64.14 C ATOM 1438 CD GLN A 179 3.214 -0.347 -19.324 1.00 23.21 C ATOM 1439 OE1 GLN A 179 3.894 0.410 -20.018 1.00 34.43 O ATOM 1440 NE2 GLN A 179 2.602 -1.416 -19.819 1.00 65.12 N ATOM 0 H GLN A 179 4.274 -1.666 -14.661 1.00 13.41 H new ATOM 0 HA GLN A 179 2.450 -2.303 -16.754 1.00 12.10 H new ATOM 0 HB2 GLN A 179 4.295 -0.274 -16.117 1.00 12.35 H new ATOM 0 HB3 GLN A 179 4.950 -1.013 -17.564 1.00 12.35 H new ATOM 0 HG2 GLN A 179 2.024 -0.370 -17.545 1.00 64.14 H new ATOM 0 HG3 GLN A 179 3.148 0.972 -17.640 1.00 64.14 H new ATOM 0 HE21 GLN A 179 2.049 -2.016 -19.207 1.00 65.12 H new ATOM 0 HE22 GLN A 179 2.685 -1.638 -20.811 1.00 65.12 H new TER 1449 GLN A 179