USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 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 106 SER OG : rot -124:sc= 1.31 USER MOD Set 1.2: A 110 THR OG1 : rot 82:sc= 2.34 USER MOD Set 2.1: A 84 THR OG1 : rot 55:sc= 1.4 USER MOD Set 2.2: A 108 ASN : amide:sc= -2.35! C(o=-0.95!,f=-2.4!) USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0.654 USER MOD Set 3.2: A 16 SER OG : rot -111:sc= 0.745 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -115:sc= 0.149 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00326 K(o=-0.0033,f=-9.6!) USER MOD Single : A 65 GLN : amide:sc= 0.0508 X(o=0.051,f=-0.074) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.705 USER MOD Single : A 68 THR OG1 : rot -130:sc= 0 USER MOD Single : A 69 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 73 HIS : no HE2:sc= 0.697 K(o=0.7,f=-7!) USER MOD Single : A 76 SER OG : rot -99:sc= 1.95 USER MOD Single : A 86 SER OG : rot -159:sc= 0.935 USER MOD Single : A 89 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-2.4!) USER MOD Single : A 95 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.137 K(o=-0.14,f=-1) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.1) USER MOD Single : A 122 MET CE :methyl -178:sc= -0.45 (180deg=-0.5) USER MOD Single : A 123 GLN : amide:sc= -0.308 K(o=-0.31,f=-0.99) USER MOD Single : A 124 THR OG1 : rot 38:sc= 0.0674 USER MOD Single : A 129 GLN : amide:sc= -2.31! C(o=-2.3!,f=-3.9!) USER MOD Single : A 132 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0814) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 -26.966 0.768 -61.202 1.00 11.33 N ATOM 58 CA ASN A 5 -26.811 1.427 -59.931 1.00 51.03 C ATOM 59 C ASN A 5 -25.382 1.263 -59.471 1.00 63.34 C ATOM 60 O ASN A 5 -25.017 0.250 -58.855 1.00 22.21 O ATOM 61 CB ASN A 5 -27.785 0.875 -58.884 1.00 63.01 C ATOM 62 CG ASN A 5 -27.724 1.633 -57.569 1.00 12.34 C ATOM 63 OD1 ASN A 5 -28.424 2.614 -57.384 1.00 65.51 O ATOM 64 ND2 ASN A 5 -26.912 1.178 -56.648 1.00 42.23 N ATOM 0 HA ASN A 5 -27.043 2.485 -60.051 1.00 51.03 H new ATOM 0 HB2 ASN A 5 -28.800 0.921 -59.278 1.00 63.01 H new ATOM 0 HB3 ASN A 5 -27.560 -0.176 -58.703 1.00 63.01 H new ATOM 0 HD21 ASN A 5 -26.852 1.647 -55.744 1.00 42.23 H new ATOM 0 HD22 ASN A 5 -26.340 0.355 -56.834 1.00 42.23 H new ATOM 71 N GLY A 6 -24.568 2.214 -59.812 1.00 4.14 N ATOM 72 CA GLY A 6 -23.178 2.138 -59.490 1.00 52.51 C ATOM 73 C GLY A 6 -22.798 3.089 -58.400 1.00 35.13 C ATOM 74 O GLY A 6 -21.911 3.926 -58.586 1.00 45.12 O ATOM 0 H GLY A 6 -24.845 3.056 -60.316 1.00 4.14 H new ATOM 0 HA2 GLY A 6 -22.933 1.121 -59.184 1.00 52.51 H new ATOM 0 HA3 GLY A 6 -22.588 2.354 -60.381 1.00 52.51 H new ATOM 78 N THR A 7 -23.452 2.986 -57.278 1.00 14.41 N ATOM 79 CA THR A 7 -23.148 3.843 -56.167 1.00 22.50 C ATOM 80 C THR A 7 -22.116 3.152 -55.262 1.00 4.01 C ATOM 81 O THR A 7 -22.337 2.010 -54.829 1.00 31.21 O ATOM 82 CB THR A 7 -24.437 4.112 -55.369 1.00 51.51 C ATOM 83 OG1 THR A 7 -25.446 4.583 -56.279 1.00 61.32 O ATOM 84 CG2 THR A 7 -24.208 5.163 -54.287 1.00 22.24 C ATOM 0 H THR A 7 -24.201 2.315 -57.108 1.00 14.41 H new ATOM 0 HA THR A 7 -22.739 4.787 -56.528 1.00 22.50 H new ATOM 0 HB THR A 7 -24.751 3.188 -54.884 1.00 51.51 H new ATOM 0 HG1 THR A 7 -26.275 4.758 -55.786 1.00 61.32 H new ATOM 0 HG21 THR A 7 -25.136 5.331 -53.741 1.00 22.24 H new ATOM 0 HG22 THR A 7 -23.439 4.814 -53.597 1.00 22.24 H new ATOM 0 HG23 THR A 7 -23.885 6.096 -54.749 1.00 22.24 H new ATOM 92 N PRO A 8 -20.962 3.798 -55.013 1.00 21.14 N ATOM 93 CA PRO A 8 -19.959 3.284 -54.086 1.00 73.31 C ATOM 94 C PRO A 8 -20.479 3.300 -52.653 1.00 14.14 C ATOM 95 O PRO A 8 -20.984 4.325 -52.164 1.00 15.14 O ATOM 96 CB PRO A 8 -18.777 4.253 -54.236 1.00 12.42 C ATOM 97 CG PRO A 8 -19.032 4.966 -55.514 1.00 22.43 C ATOM 98 CD PRO A 8 -20.521 5.056 -55.634 1.00 41.33 C ATOM 0 HA PRO A 8 -19.690 2.250 -54.301 1.00 73.31 H new ATOM 0 HB2 PRO A 8 -18.727 4.948 -53.398 1.00 12.42 H new ATOM 0 HB3 PRO A 8 -17.828 3.718 -54.264 1.00 12.42 H new ATOM 0 HG2 PRO A 8 -18.579 5.957 -55.507 1.00 22.43 H new ATOM 0 HG3 PRO A 8 -18.603 4.425 -56.357 1.00 22.43 H new ATOM 0 HD2 PRO A 8 -20.919 5.928 -55.114 1.00 41.33 H new ATOM 0 HD3 PRO A 8 -20.841 5.131 -56.673 1.00 41.33 H new ATOM 106 N GLU A 9 -20.374 2.190 -51.996 1.00 63.12 N ATOM 107 CA GLU A 9 -20.838 2.070 -50.643 1.00 45.21 C ATOM 108 C GLU A 9 -19.752 2.528 -49.679 1.00 40.13 C ATOM 109 O GLU A 9 -18.554 2.358 -49.959 1.00 22.33 O ATOM 110 CB GLU A 9 -21.277 0.640 -50.370 1.00 2.32 C ATOM 111 CG GLU A 9 -22.414 0.215 -51.271 1.00 61.34 C ATOM 112 CD GLU A 9 -22.813 -1.209 -51.086 1.00 42.00 C ATOM 113 OE1 GLU A 9 -22.140 -2.092 -51.634 1.00 65.20 O ATOM 114 OE2 GLU A 9 -23.844 -1.483 -50.444 1.00 31.24 O ATOM 0 H GLU A 9 -19.964 1.338 -52.379 1.00 63.12 H new ATOM 0 HA GLU A 9 -21.704 2.714 -50.492 1.00 45.21 H new ATOM 0 HB2 GLU A 9 -20.431 -0.032 -50.512 1.00 2.32 H new ATOM 0 HB3 GLU A 9 -21.586 0.548 -49.329 1.00 2.32 H new ATOM 0 HG2 GLU A 9 -23.276 0.854 -51.082 1.00 61.34 H new ATOM 0 HG3 GLU A 9 -22.123 0.371 -52.310 1.00 61.34 H new ATOM 121 N PRO A 10 -20.141 3.156 -48.565 1.00 32.41 N ATOM 122 CA PRO A 10 -19.195 3.674 -47.602 1.00 52.24 C ATOM 123 C PRO A 10 -18.527 2.586 -46.800 1.00 41.34 C ATOM 124 O PRO A 10 -19.172 1.839 -46.066 1.00 62.31 O ATOM 125 CB PRO A 10 -20.022 4.575 -46.702 1.00 22.34 C ATOM 126 CG PRO A 10 -21.426 4.082 -46.821 1.00 21.55 C ATOM 127 CD PRO A 10 -21.542 3.405 -48.161 1.00 1.51 C ATOM 0 HA PRO A 10 -18.379 4.200 -48.097 1.00 52.24 H new ATOM 0 HB2 PRO A 10 -19.675 4.524 -45.670 1.00 22.34 H new ATOM 0 HB3 PRO A 10 -19.945 5.617 -47.013 1.00 22.34 H new ATOM 0 HG2 PRO A 10 -21.660 3.386 -46.016 1.00 21.55 H new ATOM 0 HG3 PRO A 10 -22.133 4.908 -46.744 1.00 21.55 H new ATOM 0 HD2 PRO A 10 -22.107 2.476 -48.090 1.00 1.51 H new ATOM 0 HD3 PRO A 10 -22.058 4.037 -48.883 1.00 1.51 H new ATOM 135 N GLN A 11 -17.257 2.503 -46.951 1.00 70.14 N ATOM 136 CA GLN A 11 -16.475 1.520 -46.270 1.00 74.34 C ATOM 137 C GLN A 11 -15.802 2.171 -45.082 1.00 14.13 C ATOM 138 O GLN A 11 -15.334 3.311 -45.171 1.00 71.23 O ATOM 139 CB GLN A 11 -15.436 0.896 -47.220 1.00 61.54 C ATOM 140 CG GLN A 11 -14.508 1.909 -47.886 1.00 63.12 C ATOM 141 CD GLN A 11 -13.425 1.261 -48.713 1.00 43.00 C ATOM 142 OE1 GLN A 11 -12.345 0.955 -48.204 1.00 74.10 O ATOM 143 NE2 GLN A 11 -13.673 1.078 -49.980 1.00 54.21 N ATOM 0 H GLN A 11 -16.717 3.120 -47.557 1.00 70.14 H new ATOM 0 HA GLN A 11 -17.122 0.714 -45.922 1.00 74.34 H new ATOM 0 HB2 GLN A 11 -14.833 0.180 -46.661 1.00 61.54 H new ATOM 0 HB3 GLN A 11 -15.959 0.335 -47.995 1.00 61.54 H new ATOM 0 HG2 GLN A 11 -15.097 2.570 -48.522 1.00 63.12 H new ATOM 0 HG3 GLN A 11 -14.048 2.532 -47.119 1.00 63.12 H new ATOM 0 HE21 GLN A 11 -14.579 1.344 -50.366 1.00 54.21 H new ATOM 0 HE22 GLN A 11 -12.961 0.669 -50.585 1.00 54.21 H new ATOM 152 N VAL A 12 -15.803 1.509 -43.974 1.00 53.03 N ATOM 153 CA VAL A 12 -15.160 2.036 -42.811 1.00 71.13 C ATOM 154 C VAL A 12 -14.182 1.023 -42.227 1.00 61.35 C ATOM 155 O VAL A 12 -14.530 -0.137 -41.952 1.00 72.45 O ATOM 156 CB VAL A 12 -16.179 2.567 -41.739 1.00 75.23 C ATOM 157 CG1 VAL A 12 -17.146 1.489 -41.269 1.00 25.33 C ATOM 158 CG2 VAL A 12 -15.461 3.207 -40.553 1.00 72.33 C ATOM 0 H VAL A 12 -16.243 0.598 -43.846 1.00 53.03 H new ATOM 0 HA VAL A 12 -14.587 2.908 -43.127 1.00 71.13 H new ATOM 0 HB VAL A 12 -16.772 3.336 -42.234 1.00 75.23 H new ATOM 0 HG11 VAL A 12 -17.828 1.909 -40.529 1.00 25.33 H new ATOM 0 HG12 VAL A 12 -17.718 1.117 -42.119 1.00 25.33 H new ATOM 0 HG13 VAL A 12 -16.586 0.668 -40.821 1.00 25.33 H new ATOM 0 HG21 VAL A 12 -16.196 3.563 -39.831 1.00 72.33 H new ATOM 0 HG22 VAL A 12 -14.814 2.469 -40.078 1.00 72.33 H new ATOM 0 HG23 VAL A 12 -14.859 4.046 -40.902 1.00 72.33 H new ATOM 168 N GLU A 13 -12.960 1.430 -42.116 1.00 31.41 N ATOM 169 CA GLU A 13 -11.938 0.628 -41.537 1.00 30.12 C ATOM 170 C GLU A 13 -11.340 1.389 -40.382 1.00 63.54 C ATOM 171 O GLU A 13 -11.042 2.583 -40.500 1.00 41.52 O ATOM 172 CB GLU A 13 -10.864 0.256 -42.580 1.00 12.50 C ATOM 173 CG GLU A 13 -9.710 -0.583 -42.027 1.00 42.01 C ATOM 174 CD GLU A 13 -10.161 -1.891 -41.416 1.00 33.54 C ATOM 175 OE1 GLU A 13 -10.704 -1.881 -40.304 1.00 50.33 O ATOM 176 OE2 GLU A 13 -9.953 -2.961 -42.031 1.00 30.52 O ATOM 0 H GLU A 13 -12.640 2.346 -42.431 1.00 31.41 H new ATOM 0 HA GLU A 13 -12.362 -0.310 -41.178 1.00 30.12 H new ATOM 0 HB2 GLU A 13 -11.339 -0.293 -43.393 1.00 12.50 H new ATOM 0 HB3 GLU A 13 -10.458 1.172 -43.008 1.00 12.50 H new ATOM 0 HG2 GLU A 13 -9.003 -0.790 -42.830 1.00 42.01 H new ATOM 0 HG3 GLU A 13 -9.176 -0.003 -41.274 1.00 42.01 H new ATOM 183 N THR A 14 -11.188 0.720 -39.285 1.00 41.54 N ATOM 184 CA THR A 14 -10.660 1.297 -38.100 1.00 3.24 C ATOM 185 C THR A 14 -10.243 0.192 -37.144 1.00 71.14 C ATOM 186 O THR A 14 -11.069 -0.450 -36.481 1.00 65.13 O ATOM 187 CB THR A 14 -11.643 2.340 -37.434 1.00 35.23 C ATOM 188 OG1 THR A 14 -11.079 2.897 -36.233 1.00 31.52 O ATOM 189 CG2 THR A 14 -13.029 1.759 -37.143 1.00 40.20 C ATOM 0 H THR A 14 -11.434 -0.265 -39.190 1.00 41.54 H new ATOM 0 HA THR A 14 -9.777 1.878 -38.365 1.00 3.24 H new ATOM 0 HB THR A 14 -11.775 3.134 -38.169 1.00 35.23 H new ATOM 0 HG1 THR A 14 -11.708 3.540 -35.844 1.00 31.52 H new ATOM 0 HG21 THR A 14 -13.656 2.525 -36.686 1.00 40.20 H new ATOM 0 HG22 THR A 14 -13.486 1.424 -38.074 1.00 40.20 H new ATOM 0 HG23 THR A 14 -12.933 0.914 -36.461 1.00 40.20 H new ATOM 197 N THR A 15 -8.975 -0.084 -37.131 1.00 14.31 N ATOM 198 CA THR A 15 -8.439 -1.072 -36.262 1.00 51.30 C ATOM 199 C THR A 15 -8.175 -0.428 -34.896 1.00 24.34 C ATOM 200 O THR A 15 -7.062 0.002 -34.585 1.00 43.34 O ATOM 201 CB THR A 15 -7.153 -1.671 -36.862 1.00 44.44 C ATOM 202 OG1 THR A 15 -7.425 -2.055 -38.231 1.00 53.13 O ATOM 203 CG2 THR A 15 -6.711 -2.901 -36.082 1.00 12.33 C ATOM 0 H THR A 15 -8.285 0.374 -37.727 1.00 14.31 H new ATOM 0 HA THR A 15 -9.148 -1.890 -36.138 1.00 51.30 H new ATOM 0 HB THR A 15 -6.357 -0.927 -36.815 1.00 44.44 H new ATOM 0 HG1 THR A 15 -6.616 -2.437 -38.630 1.00 53.13 H new ATOM 0 HG21 THR A 15 -5.801 -3.305 -36.525 1.00 12.33 H new ATOM 0 HG22 THR A 15 -6.518 -2.625 -35.045 1.00 12.33 H new ATOM 0 HG23 THR A 15 -7.497 -3.655 -36.116 1.00 12.33 H new ATOM 211 N SER A 16 -9.231 -0.285 -34.136 1.00 32.21 N ATOM 212 CA SER A 16 -9.178 0.365 -32.864 1.00 14.24 C ATOM 213 C SER A 16 -9.737 -0.527 -31.754 1.00 22.14 C ATOM 214 O SER A 16 -10.925 -0.473 -31.422 1.00 73.25 O ATOM 215 CB SER A 16 -9.904 1.713 -32.964 1.00 44.45 C ATOM 216 OG SER A 16 -11.158 1.569 -33.650 1.00 15.25 O ATOM 0 H SER A 16 -10.159 -0.623 -34.392 1.00 32.21 H new ATOM 0 HA SER A 16 -8.140 0.554 -32.592 1.00 14.24 H new ATOM 0 HB2 SER A 16 -10.075 2.114 -31.965 1.00 44.45 H new ATOM 0 HB3 SER A 16 -9.276 2.431 -33.492 1.00 44.45 H new ATOM 0 HG SER A 16 -11.106 2.011 -34.523 1.00 15.25 H new ATOM 222 N VAL A 17 -8.893 -1.383 -31.238 1.00 13.43 N ATOM 223 CA VAL A 17 -9.256 -2.322 -30.203 1.00 30.34 C ATOM 224 C VAL A 17 -8.231 -2.211 -29.087 1.00 62.33 C ATOM 225 O VAL A 17 -7.050 -1.996 -29.352 1.00 51.55 O ATOM 226 CB VAL A 17 -9.248 -3.795 -30.746 1.00 44.15 C ATOM 227 CG1 VAL A 17 -9.686 -4.798 -29.683 1.00 42.43 C ATOM 228 CG2 VAL A 17 -10.119 -3.932 -31.986 1.00 52.34 C ATOM 0 H VAL A 17 -7.918 -1.450 -31.529 1.00 13.43 H new ATOM 0 HA VAL A 17 -10.261 -2.090 -29.849 1.00 30.34 H new ATOM 0 HB VAL A 17 -8.217 -4.023 -31.017 1.00 44.15 H new ATOM 0 HG11 VAL A 17 -9.666 -5.804 -30.102 1.00 42.43 H new ATOM 0 HG12 VAL A 17 -9.007 -4.746 -28.832 1.00 42.43 H new ATOM 0 HG13 VAL A 17 -10.698 -4.562 -29.355 1.00 42.43 H new ATOM 0 HG21 VAL A 17 -10.092 -4.963 -32.337 1.00 52.34 H new ATOM 0 HG22 VAL A 17 -11.145 -3.658 -31.742 1.00 52.34 H new ATOM 0 HG23 VAL A 17 -9.744 -3.272 -32.769 1.00 52.34 H new ATOM 616 N GLY A 45 3.777 -15.687 1.799 1.00 31.51 N ATOM 617 CA GLY A 45 2.371 -15.546 1.990 1.00 20.04 C ATOM 618 C GLY A 45 2.090 -14.098 1.908 1.00 64.51 C ATOM 619 O GLY A 45 1.734 -13.453 2.897 1.00 24.32 O ATOM 0 HA2 GLY A 45 1.817 -16.094 1.228 1.00 20.04 H new ATOM 0 HA3 GLY A 45 2.067 -15.948 2.956 1.00 20.04 H new ATOM 623 N SER A 46 2.212 -13.595 0.728 1.00 1.45 N ATOM 624 CA SER A 46 2.237 -12.195 0.499 1.00 31.52 C ATOM 625 C SER A 46 0.854 -11.620 0.293 1.00 34.23 C ATOM 626 O SER A 46 -0.124 -12.341 0.048 1.00 35.23 O ATOM 627 CB SER A 46 3.093 -11.942 -0.732 1.00 22.52 C ATOM 628 OG SER A 46 4.381 -12.510 -0.574 1.00 3.53 O ATOM 0 H SER A 46 2.299 -14.157 -0.119 1.00 1.45 H new ATOM 0 HA SER A 46 2.651 -11.702 1.378 1.00 31.52 H new ATOM 0 HB2 SER A 46 2.608 -12.367 -1.611 1.00 22.52 H new ATOM 0 HB3 SER A 46 3.182 -10.869 -0.904 1.00 22.52 H new ATOM 0 HG SER A 46 5.053 -11.797 -0.551 1.00 3.53 H new ATOM 634 N ALA A 47 0.779 -10.331 0.425 1.00 1.00 N ATOM 635 CA ALA A 47 -0.427 -9.600 0.267 1.00 2.50 C ATOM 636 C ALA A 47 -0.151 -8.466 -0.686 1.00 15.10 C ATOM 637 O ALA A 47 1.017 -8.225 -1.030 1.00 54.22 O ATOM 638 CB ALA A 47 -0.905 -9.100 1.610 1.00 14.44 C ATOM 0 H ALA A 47 1.584 -9.747 0.653 1.00 1.00 H new ATOM 0 HA ALA A 47 -1.219 -10.228 -0.140 1.00 2.50 H new ATOM 0 HB1 ALA A 47 -1.831 -8.540 1.481 1.00 14.44 H new ATOM 0 HB2 ALA A 47 -1.083 -9.948 2.272 1.00 14.44 H new ATOM 0 HB3 ALA A 47 -0.146 -8.451 2.048 1.00 14.44 H new ATOM 644 N LEU A 48 -1.167 -7.777 -1.105 1.00 13.42 N ATOM 645 CA LEU A 48 -1.004 -6.746 -2.086 1.00 61.44 C ATOM 646 C LEU A 48 -1.733 -5.475 -1.710 1.00 50.43 C ATOM 647 O LEU A 48 -2.808 -5.514 -1.097 1.00 3.21 O ATOM 648 CB LEU A 48 -1.360 -7.273 -3.507 1.00 13.14 C ATOM 649 CG LEU A 48 -2.690 -8.050 -3.690 1.00 24.11 C ATOM 650 CD1 LEU A 48 -3.912 -7.151 -3.622 1.00 64.15 C ATOM 651 CD2 LEU A 48 -2.672 -8.836 -4.990 1.00 62.42 C ATOM 0 H LEU A 48 -2.125 -7.910 -0.781 1.00 13.42 H new ATOM 0 HA LEU A 48 0.049 -6.467 -2.112 1.00 61.44 H new ATOM 0 HB2 LEU A 48 -1.378 -6.419 -4.184 1.00 13.14 H new ATOM 0 HB3 LEU A 48 -0.548 -7.922 -3.834 1.00 13.14 H new ATOM 0 HG LEU A 48 -2.768 -8.745 -2.854 1.00 24.11 H new ATOM 0 HD11 LEU A 48 -4.812 -7.750 -3.757 1.00 64.15 H new ATOM 0 HD12 LEU A 48 -3.947 -6.657 -2.651 1.00 64.15 H new ATOM 0 HD13 LEU A 48 -3.855 -6.400 -4.410 1.00 64.15 H new ATOM 0 HD21 LEU A 48 -3.613 -9.375 -5.102 1.00 62.42 H new ATOM 0 HD22 LEU A 48 -2.544 -8.151 -5.828 1.00 62.42 H new ATOM 0 HD23 LEU A 48 -1.846 -9.547 -4.974 1.00 62.42 H new ATOM 663 N LEU A 49 -1.137 -4.365 -2.037 1.00 53.00 N ATOM 664 CA LEU A 49 -1.735 -3.086 -1.778 1.00 20.43 C ATOM 665 C LEU A 49 -2.145 -2.484 -3.110 1.00 24.45 C ATOM 666 O LEU A 49 -1.370 -2.496 -4.061 1.00 21.11 O ATOM 667 CB LEU A 49 -0.791 -2.125 -0.959 1.00 22.14 C ATOM 668 CG LEU A 49 0.535 -1.599 -1.613 1.00 71.24 C ATOM 669 CD1 LEU A 49 1.137 -0.482 -0.779 1.00 23.03 C ATOM 670 CD2 LEU A 49 1.575 -2.682 -1.735 1.00 25.14 C ATOM 0 H LEU A 49 -0.224 -4.320 -2.490 1.00 53.00 H new ATOM 0 HA LEU A 49 -2.612 -3.221 -1.145 1.00 20.43 H new ATOM 0 HB2 LEU A 49 -1.381 -1.254 -0.673 1.00 22.14 H new ATOM 0 HB3 LEU A 49 -0.518 -2.642 -0.039 1.00 22.14 H new ATOM 0 HG LEU A 49 0.264 -1.242 -2.606 1.00 71.24 H new ATOM 0 HD11 LEU A 49 2.056 -0.131 -1.249 1.00 23.03 H new ATOM 0 HD12 LEU A 49 0.428 0.342 -0.709 1.00 23.03 H new ATOM 0 HD13 LEU A 49 1.361 -0.854 0.221 1.00 23.03 H new ATOM 0 HD21 LEU A 49 2.475 -2.272 -2.193 1.00 25.14 H new ATOM 0 HD22 LEU A 49 1.815 -3.069 -0.745 1.00 25.14 H new ATOM 0 HD23 LEU A 49 1.188 -3.490 -2.356 1.00 25.14 H new ATOM 682 N VAL A 50 -3.355 -1.999 -3.182 1.00 42.22 N ATOM 683 CA VAL A 50 -3.913 -1.466 -4.408 1.00 33.32 C ATOM 684 C VAL A 50 -4.259 -0.011 -4.202 1.00 71.35 C ATOM 685 O VAL A 50 -4.981 0.328 -3.273 1.00 73.31 O ATOM 686 CB VAL A 50 -5.223 -2.214 -4.814 1.00 22.40 C ATOM 687 CG1 VAL A 50 -5.718 -1.778 -6.190 1.00 65.11 C ATOM 688 CG2 VAL A 50 -5.065 -3.726 -4.743 1.00 75.23 C ATOM 0 H VAL A 50 -3.992 -1.960 -2.387 1.00 42.22 H new ATOM 0 HA VAL A 50 -3.170 -1.593 -5.195 1.00 33.32 H new ATOM 0 HB VAL A 50 -5.982 -1.933 -4.083 1.00 22.40 H new ATOM 0 HG11 VAL A 50 -6.631 -2.320 -6.437 1.00 65.11 H new ATOM 0 HG12 VAL A 50 -5.923 -0.708 -6.180 1.00 65.11 H new ATOM 0 HG13 VAL A 50 -4.954 -1.994 -6.937 1.00 65.11 H new ATOM 0 HG21 VAL A 50 -6.001 -4.204 -5.034 1.00 75.23 H new ATOM 0 HG22 VAL A 50 -4.271 -4.041 -5.420 1.00 75.23 H new ATOM 0 HG23 VAL A 50 -4.810 -4.018 -3.724 1.00 75.23 H new ATOM 698 N VAL A 51 -3.769 0.840 -5.047 1.00 24.30 N ATOM 699 CA VAL A 51 -4.099 2.232 -4.943 1.00 64.01 C ATOM 700 C VAL A 51 -5.290 2.474 -5.825 1.00 52.25 C ATOM 701 O VAL A 51 -5.234 2.233 -7.039 1.00 74.34 O ATOM 702 CB VAL A 51 -2.949 3.170 -5.386 1.00 11.21 C ATOM 703 CG1 VAL A 51 -3.272 4.607 -5.010 1.00 33.31 C ATOM 704 CG2 VAL A 51 -1.622 2.749 -4.784 1.00 34.23 C ATOM 0 H VAL A 51 -3.141 0.600 -5.815 1.00 24.30 H new ATOM 0 HA VAL A 51 -4.298 2.458 -3.895 1.00 64.01 H new ATOM 0 HB VAL A 51 -2.856 3.098 -6.470 1.00 11.21 H new ATOM 0 HG11 VAL A 51 -2.457 5.258 -5.326 1.00 33.31 H new ATOM 0 HG12 VAL A 51 -4.194 4.914 -5.504 1.00 33.31 H new ATOM 0 HG13 VAL A 51 -3.397 4.681 -3.930 1.00 33.31 H new ATOM 0 HG21 VAL A 51 -0.839 3.430 -5.117 1.00 34.23 H new ATOM 0 HG22 VAL A 51 -1.690 2.778 -3.697 1.00 34.23 H new ATOM 0 HG23 VAL A 51 -1.382 1.735 -5.105 1.00 34.23 H new ATOM 714 N LYS A 52 -6.377 2.899 -5.221 1.00 43.12 N ATOM 715 CA LYS A 52 -7.597 3.150 -5.955 1.00 75.25 C ATOM 716 C LYS A 52 -7.406 4.378 -6.804 1.00 2.42 C ATOM 717 O LYS A 52 -7.847 4.432 -7.947 1.00 3.33 O ATOM 718 CB LYS A 52 -8.774 3.354 -5.007 1.00 14.34 C ATOM 719 CG LYS A 52 -8.994 2.209 -4.013 1.00 31.15 C ATOM 720 CD LYS A 52 -9.324 0.891 -4.707 1.00 61.43 C ATOM 721 CE LYS A 52 -10.646 0.961 -5.461 1.00 12.43 C ATOM 722 NZ LYS A 52 -10.960 -0.309 -6.136 1.00 64.33 N ATOM 0 H LYS A 52 -6.441 3.079 -4.219 1.00 43.12 H new ATOM 0 HA LYS A 52 -7.818 2.287 -6.583 1.00 75.25 H new ATOM 0 HB2 LYS A 52 -8.619 4.278 -4.449 1.00 14.34 H new ATOM 0 HB3 LYS A 52 -9.681 3.486 -5.597 1.00 14.34 H new ATOM 0 HG2 LYS A 52 -8.098 2.082 -3.405 1.00 31.15 H new ATOM 0 HG3 LYS A 52 -9.805 2.472 -3.334 1.00 31.15 H new ATOM 0 HD2 LYS A 52 -8.523 0.636 -5.401 1.00 61.43 H new ATOM 0 HD3 LYS A 52 -9.370 0.093 -3.966 1.00 61.43 H new ATOM 0 HE2 LYS A 52 -11.448 1.211 -4.766 1.00 12.43 H new ATOM 0 HE3 LYS A 52 -10.602 1.763 -6.198 1.00 12.43 H new ATOM 0 HZ1 LYS A 52 -11.867 -0.221 -6.638 1.00 64.33 H new ATOM 0 HZ2 LYS A 52 -10.208 -0.535 -6.818 1.00 64.33 H new ATOM 0 HZ3 LYS A 52 -11.028 -1.070 -5.430 1.00 64.33 H new ATOM 736 N ARG A 53 -6.704 5.344 -6.239 1.00 45.34 N ATOM 737 CA ARG A 53 -6.376 6.585 -6.903 1.00 30.23 C ATOM 738 C ARG A 53 -5.448 7.388 -6.009 1.00 51.31 C ATOM 739 O ARG A 53 -5.663 7.476 -4.791 1.00 55.32 O ATOM 740 CB ARG A 53 -7.629 7.427 -7.223 1.00 63.02 C ATOM 741 CG ARG A 53 -7.349 8.671 -8.081 1.00 45.24 C ATOM 742 CD ARG A 53 -7.229 8.366 -9.593 1.00 24.24 C ATOM 743 NE ARG A 53 -6.247 7.308 -9.948 1.00 12.13 N ATOM 744 CZ ARG A 53 -5.300 7.407 -10.916 1.00 12.02 C ATOM 745 NH1 ARG A 53 -5.115 8.550 -11.563 1.00 2.31 N ATOM 746 NH2 ARG A 53 -4.554 6.344 -11.229 1.00 21.31 N ATOM 0 H ARG A 53 -6.341 5.283 -5.288 1.00 45.34 H new ATOM 0 HA ARG A 53 -5.894 6.342 -7.850 1.00 30.23 H new ATOM 0 HB2 ARG A 53 -8.353 6.798 -7.740 1.00 63.02 H new ATOM 0 HB3 ARG A 53 -8.091 7.741 -6.287 1.00 63.02 H new ATOM 0 HG2 ARG A 53 -8.149 9.396 -7.927 1.00 45.24 H new ATOM 0 HG3 ARG A 53 -6.426 9.138 -7.739 1.00 45.24 H new ATOM 0 HD2 ARG A 53 -8.209 8.070 -9.967 1.00 24.24 H new ATOM 0 HD3 ARG A 53 -6.954 9.284 -10.112 1.00 24.24 H new ATOM 0 HE ARG A 53 -6.288 6.436 -9.421 1.00 12.13 H new ATOM 0 HH11 ARG A 53 -5.686 9.364 -11.335 1.00 2.31 H new ATOM 0 HH12 ARG A 53 -4.401 8.615 -12.289 1.00 2.31 H new ATOM 0 HH21 ARG A 53 -4.696 5.460 -10.741 1.00 21.31 H new ATOM 0 HH22 ARG A 53 -3.842 6.417 -11.956 1.00 21.31 H new ATOM 760 N GLY A 54 -4.413 7.900 -6.601 1.00 0.11 N ATOM 761 CA GLY A 54 -3.471 8.754 -5.946 1.00 53.11 C ATOM 762 C GLY A 54 -2.433 9.197 -6.958 1.00 21.43 C ATOM 763 O GLY A 54 -2.315 8.561 -8.000 1.00 43.13 O ATOM 0 H GLY A 54 -4.194 7.730 -7.583 1.00 0.11 H new ATOM 0 HA2 GLY A 54 -3.978 9.620 -5.521 1.00 53.11 H new ATOM 0 HA3 GLY A 54 -2.993 8.227 -5.120 1.00 53.11 H new ATOM 767 N PRO A 55 -1.710 10.315 -6.739 1.00 63.44 N ATOM 768 CA PRO A 55 -0.636 10.755 -7.658 1.00 32.33 C ATOM 769 C PRO A 55 0.541 9.791 -7.602 1.00 34.22 C ATOM 770 O PRO A 55 1.313 9.658 -8.551 1.00 42.13 O ATOM 771 CB PRO A 55 -0.230 12.132 -7.106 1.00 51.31 C ATOM 772 CG PRO A 55 -1.361 12.532 -6.223 1.00 72.21 C ATOM 773 CD PRO A 55 -1.881 11.254 -5.638 1.00 40.54 C ATOM 0 HA PRO A 55 -0.955 10.791 -8.700 1.00 32.33 H new ATOM 0 HB2 PRO A 55 0.706 12.076 -6.550 1.00 51.31 H new ATOM 0 HB3 PRO A 55 -0.081 12.853 -7.910 1.00 51.31 H new ATOM 0 HG2 PRO A 55 -1.027 13.214 -5.441 1.00 72.21 H new ATOM 0 HG3 PRO A 55 -2.136 13.050 -6.788 1.00 72.21 H new ATOM 0 HD2 PRO A 55 -1.317 10.952 -4.755 1.00 40.54 H new ATOM 0 HD3 PRO A 55 -2.925 11.340 -5.336 1.00 40.54 H new ATOM 781 N ASN A 56 0.637 9.131 -6.466 1.00 73.13 N ATOM 782 CA ASN A 56 1.633 8.122 -6.168 1.00 43.04 C ATOM 783 C ASN A 56 1.581 6.955 -7.163 1.00 71.03 C ATOM 784 O ASN A 56 2.555 6.698 -7.876 1.00 32.01 O ATOM 785 CB ASN A 56 1.470 7.648 -4.692 1.00 73.22 C ATOM 786 CG ASN A 56 0.028 7.363 -4.226 1.00 73.33 C ATOM 787 OD1 ASN A 56 -0.842 6.990 -4.992 1.00 13.10 O ATOM 788 ND2 ASN A 56 -0.227 7.578 -2.963 1.00 52.42 N ATOM 0 H ASN A 56 -0.006 9.291 -5.690 1.00 73.13 H new ATOM 0 HA ASN A 56 2.623 8.563 -6.279 1.00 43.04 H new ATOM 0 HB2 ASN A 56 2.060 6.742 -4.556 1.00 73.22 H new ATOM 0 HB3 ASN A 56 1.898 8.408 -4.038 1.00 73.22 H new ATOM 0 HD21 ASN A 56 -1.170 7.434 -2.601 1.00 52.42 H new ATOM 0 HD22 ASN A 56 0.517 7.890 -2.339 1.00 52.42 H new ATOM 795 N ALA A 57 0.445 6.306 -7.249 1.00 5.34 N ATOM 796 CA ALA A 57 0.240 5.185 -8.125 1.00 51.23 C ATOM 797 C ALA A 57 -1.256 4.956 -8.285 1.00 52.14 C ATOM 798 O ALA A 57 -2.065 5.686 -7.716 1.00 53.14 O ATOM 799 CB ALA A 57 0.912 3.938 -7.546 1.00 53.12 C ATOM 0 H ALA A 57 -0.378 6.550 -6.699 1.00 5.34 H new ATOM 0 HA ALA A 57 0.683 5.390 -9.100 1.00 51.23 H new ATOM 0 HB1 ALA A 57 0.751 3.094 -8.216 1.00 53.12 H new ATOM 0 HB2 ALA A 57 1.982 4.118 -7.439 1.00 53.12 H new ATOM 0 HB3 ALA A 57 0.482 3.713 -6.570 1.00 53.12 H new ATOM 805 N GLY A 58 -1.613 3.967 -9.049 1.00 44.25 N ATOM 806 CA GLY A 58 -2.994 3.632 -9.248 1.00 34.11 C ATOM 807 C GLY A 58 -3.120 2.194 -9.630 1.00 71.02 C ATOM 808 O GLY A 58 -3.985 1.818 -10.420 1.00 43.13 O ATOM 0 H GLY A 58 -0.957 3.369 -9.552 1.00 44.25 H new ATOM 0 HA2 GLY A 58 -3.559 3.826 -8.336 1.00 34.11 H new ATOM 0 HA3 GLY A 58 -3.421 4.263 -10.028 1.00 34.11 H new ATOM 812 N ALA A 59 -2.270 1.382 -9.048 1.00 0.52 N ATOM 813 CA ALA A 59 -2.186 -0.003 -9.367 1.00 33.23 C ATOM 814 C ALA A 59 -1.979 -0.779 -8.103 1.00 11.33 C ATOM 815 O ALA A 59 -2.059 -0.215 -7.002 1.00 1.40 O ATOM 816 CB ALA A 59 -1.034 -0.243 -10.325 1.00 71.31 C ATOM 0 H ALA A 59 -1.611 1.681 -8.329 1.00 0.52 H new ATOM 0 HA ALA A 59 -3.108 -0.329 -9.847 1.00 33.23 H new ATOM 0 HB1 ALA A 59 -0.975 -1.305 -10.565 1.00 71.31 H new ATOM 0 HB2 ALA A 59 -1.197 0.327 -11.240 1.00 71.31 H new ATOM 0 HB3 ALA A 59 -0.101 0.076 -9.860 1.00 71.31 H new ATOM 822 N ARG A 60 -1.708 -2.036 -8.245 1.00 1.24 N ATOM 823 CA ARG A 60 -1.500 -2.893 -7.126 1.00 22.15 C ATOM 824 C ARG A 60 -0.064 -3.353 -7.070 1.00 74.00 C ATOM 825 O ARG A 60 0.582 -3.511 -8.108 1.00 21.33 O ATOM 826 CB ARG A 60 -2.449 -4.076 -7.186 1.00 23.11 C ATOM 827 CG ARG A 60 -2.295 -4.949 -8.421 1.00 5.32 C ATOM 828 CD ARG A 60 -3.186 -6.171 -8.348 1.00 42.22 C ATOM 829 NE ARG A 60 -3.056 -7.003 -9.544 1.00 75.33 N ATOM 830 CZ ARG A 60 -3.205 -8.332 -9.590 1.00 71.52 C ATOM 831 NH1 ARG A 60 -3.505 -9.016 -8.490 1.00 73.42 N ATOM 832 NH2 ARG A 60 -3.056 -8.968 -10.742 1.00 43.31 N ATOM 0 H ARG A 60 -1.624 -2.500 -9.150 1.00 1.24 H new ATOM 0 HA ARG A 60 -1.709 -2.334 -6.214 1.00 22.15 H new ATOM 0 HB2 ARG A 60 -2.297 -4.693 -6.300 1.00 23.11 H new ATOM 0 HB3 ARG A 60 -3.473 -3.706 -7.144 1.00 23.11 H new ATOM 0 HG2 ARG A 60 -2.541 -4.370 -9.311 1.00 5.32 H new ATOM 0 HG3 ARG A 60 -1.255 -5.260 -8.521 1.00 5.32 H new ATOM 0 HD2 ARG A 60 -2.929 -6.758 -7.466 1.00 42.22 H new ATOM 0 HD3 ARG A 60 -4.224 -5.859 -8.232 1.00 42.22 H new ATOM 0 HE ARG A 60 -2.832 -6.529 -10.419 1.00 75.33 H new ATOM 0 HH11 ARG A 60 -3.623 -8.528 -7.602 1.00 73.42 H new ATOM 0 HH12 ARG A 60 -3.617 -10.029 -8.534 1.00 73.42 H new ATOM 0 HH21 ARG A 60 -2.829 -8.445 -11.588 1.00 43.31 H new ATOM 0 HH22 ARG A 60 -3.168 -9.981 -10.784 1.00 43.31 H new ATOM 846 N PHE A 61 0.435 -3.521 -5.874 1.00 72.35 N ATOM 847 CA PHE A 61 1.779 -3.989 -5.657 1.00 11.12 C ATOM 848 C PHE A 61 1.763 -5.144 -4.680 1.00 2.11 C ATOM 849 O PHE A 61 1.104 -5.077 -3.646 1.00 0.42 O ATOM 850 CB PHE A 61 2.693 -2.863 -5.141 1.00 45.21 C ATOM 851 CG PHE A 61 2.817 -1.680 -6.067 1.00 1.41 C ATOM 852 CD1 PHE A 61 3.675 -1.723 -7.150 1.00 34.01 C ATOM 853 CD2 PHE A 61 2.072 -0.530 -5.854 1.00 10.21 C ATOM 854 CE1 PHE A 61 3.793 -0.645 -8.003 1.00 4.32 C ATOM 855 CE2 PHE A 61 2.184 0.551 -6.703 1.00 13.52 C ATOM 856 CZ PHE A 61 3.045 0.494 -7.779 1.00 2.02 C ATOM 0 H PHE A 61 -0.084 -3.335 -5.016 1.00 72.35 H new ATOM 0 HA PHE A 61 2.182 -4.326 -6.612 1.00 11.12 H new ATOM 0 HB2 PHE A 61 2.313 -2.517 -4.180 1.00 45.21 H new ATOM 0 HB3 PHE A 61 3.687 -3.273 -4.962 1.00 45.21 H new ATOM 0 HD1 PHE A 61 4.261 -2.612 -7.331 1.00 34.01 H new ATOM 0 HD2 PHE A 61 1.396 -0.480 -5.013 1.00 10.21 H new ATOM 0 HE1 PHE A 61 4.469 -0.692 -8.844 1.00 4.32 H new ATOM 0 HE2 PHE A 61 1.598 1.441 -6.526 1.00 13.52 H new ATOM 0 HZ PHE A 61 3.134 1.339 -8.446 1.00 2.02 H new ATOM 866 N LEU A 62 2.440 -6.203 -5.022 1.00 2.14 N ATOM 867 CA LEU A 62 2.538 -7.362 -4.168 1.00 21.24 C ATOM 868 C LEU A 62 3.759 -7.212 -3.263 1.00 24.22 C ATOM 869 O LEU A 62 4.857 -6.911 -3.749 1.00 63.31 O ATOM 870 CB LEU A 62 2.677 -8.626 -5.031 1.00 42.41 C ATOM 871 CG LEU A 62 2.719 -9.962 -4.285 1.00 3.20 C ATOM 872 CD1 LEU A 62 1.412 -10.206 -3.563 1.00 75.45 C ATOM 873 CD2 LEU A 62 3.026 -11.101 -5.240 1.00 62.35 C ATOM 0 H LEU A 62 2.944 -6.291 -5.905 1.00 2.14 H new ATOM 0 HA LEU A 62 1.640 -7.448 -3.556 1.00 21.24 H new ATOM 0 HB2 LEU A 62 1.843 -8.653 -5.733 1.00 42.41 H new ATOM 0 HB3 LEU A 62 3.588 -8.537 -5.622 1.00 42.41 H new ATOM 0 HG LEU A 62 3.517 -9.917 -3.544 1.00 3.20 H new ATOM 0 HD11 LEU A 62 1.459 -11.160 -3.038 1.00 75.45 H new ATOM 0 HD12 LEU A 62 1.238 -9.405 -2.845 1.00 75.45 H new ATOM 0 HD13 LEU A 62 0.596 -10.229 -4.285 1.00 75.45 H new ATOM 0 HD21 LEU A 62 3.051 -12.041 -4.689 1.00 62.35 H new ATOM 0 HD22 LEU A 62 2.253 -11.151 -6.007 1.00 62.35 H new ATOM 0 HD23 LEU A 62 3.994 -10.930 -5.711 1.00 62.35 H new ATOM 885 N LEU A 63 3.584 -7.394 -1.966 1.00 75.12 N ATOM 886 CA LEU A 63 4.714 -7.276 -1.060 1.00 4.41 C ATOM 887 C LEU A 63 5.543 -8.545 -1.082 1.00 33.20 C ATOM 888 O LEU A 63 5.083 -9.609 -0.672 1.00 55.43 O ATOM 889 CB LEU A 63 4.298 -6.980 0.408 1.00 12.50 C ATOM 890 CG LEU A 63 3.625 -5.627 0.740 1.00 35.14 C ATOM 891 CD1 LEU A 63 4.437 -4.449 0.221 1.00 43.43 C ATOM 892 CD2 LEU A 63 2.185 -5.568 0.264 1.00 51.55 C ATOM 0 H LEU A 63 2.693 -7.619 -1.524 1.00 75.12 H new ATOM 0 HA LEU A 63 5.296 -6.426 -1.418 1.00 4.41 H new ATOM 0 HB2 LEU A 63 3.618 -7.771 0.723 1.00 12.50 H new ATOM 0 HB3 LEU A 63 5.192 -7.063 1.026 1.00 12.50 H new ATOM 0 HG LEU A 63 3.600 -5.550 1.827 1.00 35.14 H new ATOM 0 HD11 LEU A 63 3.930 -3.518 0.475 1.00 43.43 H new ATOM 0 HD12 LEU A 63 5.427 -4.460 0.678 1.00 43.43 H new ATOM 0 HD13 LEU A 63 4.537 -4.525 -0.862 1.00 43.43 H new ATOM 0 HD21 LEU A 63 1.756 -4.599 0.520 1.00 51.55 H new ATOM 0 HD22 LEU A 63 2.153 -5.704 -0.817 1.00 51.55 H new ATOM 0 HD23 LEU A 63 1.610 -6.358 0.746 1.00 51.55 H new ATOM 904 N ASP A 64 6.743 -8.424 -1.568 1.00 51.40 N ATOM 905 CA ASP A 64 7.712 -9.523 -1.563 1.00 60.41 C ATOM 906 C ASP A 64 8.836 -9.168 -0.614 1.00 51.51 C ATOM 907 O ASP A 64 9.490 -10.027 -0.021 1.00 21.22 O ATOM 908 CB ASP A 64 8.278 -9.738 -2.983 1.00 75.41 C ATOM 909 CG ASP A 64 9.366 -10.806 -3.056 1.00 65.22 C ATOM 910 OD1 ASP A 64 9.038 -12.007 -3.176 1.00 43.33 O ATOM 911 OD2 ASP A 64 10.569 -10.456 -3.038 1.00 0.41 O ATOM 0 H ASP A 64 7.096 -7.563 -1.985 1.00 51.40 H new ATOM 0 HA ASP A 64 7.224 -10.443 -1.241 1.00 60.41 H new ATOM 0 HB2 ASP A 64 7.463 -10.016 -3.651 1.00 75.41 H new ATOM 0 HB3 ASP A 64 8.682 -8.795 -3.350 1.00 75.41 H new ATOM 916 N GLN A 65 9.001 -7.885 -0.432 1.00 74.02 N ATOM 917 CA GLN A 65 10.077 -7.329 0.338 1.00 10.12 C ATOM 918 C GLN A 65 9.643 -7.134 1.779 1.00 21.41 C ATOM 919 O GLN A 65 8.605 -6.511 2.027 1.00 60.34 O ATOM 920 CB GLN A 65 10.464 -5.992 -0.265 1.00 51.43 C ATOM 921 CG GLN A 65 10.845 -6.082 -1.731 1.00 55.41 C ATOM 922 CD GLN A 65 11.108 -4.735 -2.359 1.00 22.13 C ATOM 923 OE1 GLN A 65 10.899 -4.541 -3.547 1.00 75.35 O ATOM 924 NE2 GLN A 65 11.572 -3.808 -1.580 1.00 74.01 N ATOM 0 H GLN A 65 8.375 -7.182 -0.825 1.00 74.02 H new ATOM 0 HA GLN A 65 10.929 -8.009 0.321 1.00 10.12 H new ATOM 0 HB2 GLN A 65 9.631 -5.297 -0.155 1.00 51.43 H new ATOM 0 HB3 GLN A 65 11.301 -5.577 0.296 1.00 51.43 H new ATOM 0 HG2 GLN A 65 11.735 -6.703 -1.831 1.00 55.41 H new ATOM 0 HG3 GLN A 65 10.045 -6.581 -2.278 1.00 55.41 H new ATOM 0 HE21 GLN A 65 11.734 -4.006 -0.593 1.00 74.01 H new ATOM 0 HE22 GLN A 65 11.775 -2.881 -1.955 1.00 74.01 H new ATOM 933 N PRO A 66 10.429 -7.664 2.748 1.00 43.54 N ATOM 934 CA PRO A 66 10.122 -7.543 4.174 1.00 31.22 C ATOM 935 C PRO A 66 10.002 -6.091 4.632 1.00 13.41 C ATOM 936 O PRO A 66 9.104 -5.754 5.387 1.00 5.13 O ATOM 937 CB PRO A 66 11.281 -8.249 4.884 1.00 21.24 C ATOM 938 CG PRO A 66 12.338 -8.437 3.853 1.00 14.24 C ATOM 939 CD PRO A 66 11.648 -8.447 2.522 1.00 53.31 C ATOM 0 HA PRO A 66 9.153 -7.987 4.404 1.00 31.22 H new ATOM 0 HB2 PRO A 66 11.650 -7.652 5.717 1.00 21.24 H new ATOM 0 HB3 PRO A 66 10.962 -9.207 5.295 1.00 21.24 H new ATOM 0 HG2 PRO A 66 13.073 -7.633 3.902 1.00 14.24 H new ATOM 0 HG3 PRO A 66 12.876 -9.371 4.017 1.00 14.24 H new ATOM 0 HD2 PRO A 66 12.271 -8.001 1.746 1.00 53.31 H new ATOM 0 HD3 PRO A 66 11.416 -9.462 2.200 1.00 53.31 H new ATOM 947 N THR A 67 10.885 -5.237 4.165 1.00 23.05 N ATOM 948 CA THR A 67 10.826 -3.843 4.512 1.00 13.24 C ATOM 949 C THR A 67 10.616 -3.013 3.245 1.00 73.14 C ATOM 950 O THR A 67 11.493 -2.933 2.382 1.00 73.30 O ATOM 951 CB THR A 67 12.108 -3.391 5.253 1.00 52.32 C ATOM 952 OG1 THR A 67 12.342 -4.267 6.378 1.00 24.13 O ATOM 953 CG2 THR A 67 11.963 -1.960 5.765 1.00 42.35 C ATOM 0 H THR A 67 11.653 -5.489 3.543 1.00 23.05 H new ATOM 0 HA THR A 67 9.987 -3.688 5.190 1.00 13.24 H new ATOM 0 HB THR A 67 12.944 -3.434 4.555 1.00 52.32 H new ATOM 0 HG1 THR A 67 13.154 -3.985 6.849 1.00 24.13 H new ATOM 0 HG21 THR A 67 12.876 -1.664 6.282 1.00 42.35 H new ATOM 0 HG22 THR A 67 11.789 -1.289 4.924 1.00 42.35 H new ATOM 0 HG23 THR A 67 11.121 -1.904 6.455 1.00 42.35 H new ATOM 961 N THR A 68 9.447 -2.459 3.116 1.00 21.45 N ATOM 962 CA THR A 68 9.101 -1.649 1.988 1.00 72.42 C ATOM 963 C THR A 68 9.066 -0.165 2.408 1.00 35.34 C ATOM 964 O THR A 68 8.252 0.236 3.260 1.00 11.34 O ATOM 965 CB THR A 68 7.731 -2.097 1.439 1.00 52.21 C ATOM 966 OG1 THR A 68 7.790 -3.500 1.116 1.00 54.32 O ATOM 967 CG2 THR A 68 7.343 -1.312 0.195 1.00 63.34 C ATOM 0 H THR A 68 8.698 -2.559 3.801 1.00 21.45 H new ATOM 0 HA THR A 68 9.847 -1.767 1.202 1.00 72.42 H new ATOM 0 HB THR A 68 6.978 -1.910 2.205 1.00 52.21 H new ATOM 0 HG1 THR A 68 7.446 -3.642 0.209 1.00 54.32 H new ATOM 0 HG21 THR A 68 6.372 -1.655 -0.164 1.00 63.34 H new ATOM 0 HG22 THR A 68 7.286 -0.251 0.437 1.00 63.34 H new ATOM 0 HG23 THR A 68 8.092 -1.467 -0.581 1.00 63.34 H new ATOM 975 N THR A 69 9.961 0.620 1.844 1.00 24.12 N ATOM 976 CA THR A 69 10.084 2.017 2.179 1.00 21.34 C ATOM 977 C THR A 69 9.116 2.850 1.320 1.00 2.33 C ATOM 978 O THR A 69 9.190 2.826 0.072 1.00 23.55 O ATOM 979 CB THR A 69 11.527 2.489 1.899 1.00 43.14 C ATOM 980 OG1 THR A 69 12.449 1.456 2.286 1.00 74.34 O ATOM 981 CG2 THR A 69 11.838 3.747 2.693 1.00 45.32 C ATOM 0 H THR A 69 10.625 0.302 1.138 1.00 24.12 H new ATOM 0 HA THR A 69 9.845 2.149 3.234 1.00 21.34 H new ATOM 0 HB THR A 69 11.624 2.704 0.835 1.00 43.14 H new ATOM 0 HG1 THR A 69 12.497 0.779 1.579 1.00 74.34 H new ATOM 0 HG21 THR A 69 12.859 4.066 2.484 1.00 45.32 H new ATOM 0 HG22 THR A 69 11.145 4.538 2.407 1.00 45.32 H new ATOM 0 HG23 THR A 69 11.733 3.540 3.758 1.00 45.32 H new ATOM 989 N ALA A 70 8.214 3.566 1.973 1.00 11.33 N ATOM 990 CA ALA A 70 7.264 4.403 1.284 1.00 11.10 C ATOM 991 C ALA A 70 7.691 5.859 1.354 1.00 31.21 C ATOM 992 O ALA A 70 7.715 6.470 2.447 1.00 61.21 O ATOM 993 CB ALA A 70 5.877 4.231 1.871 1.00 32.21 C ATOM 0 H ALA A 70 8.126 3.579 2.989 1.00 11.33 H new ATOM 0 HA ALA A 70 7.235 4.099 0.238 1.00 11.10 H new ATOM 0 HB1 ALA A 70 5.174 4.871 1.338 1.00 32.21 H new ATOM 0 HB2 ALA A 70 5.567 3.191 1.773 1.00 32.21 H new ATOM 0 HB3 ALA A 70 5.891 4.507 2.925 1.00 32.21 H new ATOM 999 N GLY A 71 8.042 6.406 0.211 1.00 52.24 N ATOM 1000 CA GLY A 71 8.460 7.767 0.129 1.00 22.34 C ATOM 1001 C GLY A 71 9.018 8.053 -1.234 1.00 1.25 C ATOM 1002 O GLY A 71 8.966 7.191 -2.119 1.00 22.41 O ATOM 0 H GLY A 71 8.042 5.911 -0.681 1.00 52.24 H new ATOM 0 HA2 GLY A 71 7.617 8.427 0.331 1.00 22.34 H new ATOM 0 HA3 GLY A 71 9.214 7.971 0.889 1.00 22.34 H new ATOM 1006 N ARG A 72 9.563 9.216 -1.411 1.00 11.21 N ATOM 1007 CA ARG A 72 10.152 9.601 -2.656 1.00 51.23 C ATOM 1008 C ARG A 72 11.599 9.879 -2.356 1.00 64.40 C ATOM 1009 O ARG A 72 11.954 10.936 -1.831 1.00 53.52 O ATOM 1010 CB ARG A 72 9.409 10.827 -3.271 1.00 42.31 C ATOM 1011 CG ARG A 72 9.803 11.222 -4.716 1.00 34.42 C ATOM 1012 CD ARG A 72 11.199 11.834 -4.818 1.00 61.40 C ATOM 1013 NE ARG A 72 11.567 12.164 -6.196 1.00 54.41 N ATOM 1014 CZ ARG A 72 12.679 12.829 -6.556 1.00 24.25 C ATOM 1015 NH1 ARG A 72 13.527 13.271 -5.635 1.00 11.15 N ATOM 1016 NH2 ARG A 72 12.921 13.073 -7.838 1.00 25.12 N ATOM 0 H ARG A 72 9.612 9.933 -0.687 1.00 11.21 H new ATOM 0 HA ARG A 72 10.069 8.818 -3.410 1.00 51.23 H new ATOM 0 HB2 ARG A 72 8.339 10.621 -3.254 1.00 42.31 H new ATOM 0 HB3 ARG A 72 9.578 11.688 -2.624 1.00 42.31 H new ATOM 0 HG2 ARG A 72 9.754 10.338 -5.352 1.00 34.42 H new ATOM 0 HG3 ARG A 72 9.073 11.934 -5.102 1.00 34.42 H new ATOM 0 HD2 ARG A 72 11.242 12.736 -4.208 1.00 61.40 H new ATOM 0 HD3 ARG A 72 11.929 11.136 -4.408 1.00 61.40 H new ATOM 0 HE ARG A 72 10.933 11.868 -6.938 1.00 54.41 H new ATOM 0 HH11 ARG A 72 13.337 13.107 -4.646 1.00 11.15 H new ATOM 0 HH12 ARG A 72 14.368 13.775 -5.916 1.00 11.15 H new ATOM 0 HH21 ARG A 72 12.263 12.756 -8.550 1.00 25.12 H new ATOM 0 HH22 ARG A 72 13.765 13.577 -8.111 1.00 25.12 H new ATOM 1030 N HIS A 73 12.394 8.891 -2.576 1.00 0.43 N ATOM 1031 CA HIS A 73 13.815 8.950 -2.297 1.00 24.50 C ATOM 1032 C HIS A 73 14.514 8.357 -3.513 1.00 52.34 C ATOM 1033 O HIS A 73 13.835 7.937 -4.460 1.00 13.21 O ATOM 1034 CB HIS A 73 14.164 8.036 -1.076 1.00 62.02 C ATOM 1035 CG HIS A 73 13.203 8.045 0.069 1.00 32.52 C ATOM 1036 ND1 HIS A 73 12.561 6.913 0.509 1.00 73.11 N ATOM 1037 CD2 HIS A 73 12.785 9.050 0.869 1.00 54.22 C ATOM 1038 CE1 HIS A 73 11.785 7.250 1.531 1.00 15.25 C ATOM 1039 NE2 HIS A 73 11.879 8.541 1.795 1.00 62.32 N ATOM 0 H HIS A 73 12.086 7.998 -2.961 1.00 0.43 H new ATOM 0 HA HIS A 73 14.117 9.976 -2.084 1.00 24.50 H new ATOM 0 HB2 HIS A 73 14.256 7.011 -1.434 1.00 62.02 H new ATOM 0 HB3 HIS A 73 15.144 8.331 -0.700 1.00 62.02 H new ATOM 0 HD1 HIS A 73 12.663 5.976 0.118 1.00 73.11 H new ATOM 0 HD2 HIS A 73 13.102 10.080 0.801 1.00 54.22 H new ATOM 0 HE1 HIS A 73 11.158 6.559 2.076 1.00 15.25 H new ATOM 1047 N PRO A 74 15.863 8.315 -3.547 1.00 71.34 N ATOM 1048 CA PRO A 74 16.579 7.523 -4.553 1.00 1.25 C ATOM 1049 C PRO A 74 16.270 6.025 -4.353 1.00 73.40 C ATOM 1050 O PRO A 74 16.400 5.217 -5.263 1.00 31.40 O ATOM 1051 CB PRO A 74 18.062 7.803 -4.254 1.00 74.52 C ATOM 1052 CG PRO A 74 18.061 9.092 -3.517 1.00 22.30 C ATOM 1053 CD PRO A 74 16.801 9.095 -2.706 1.00 10.12 C ATOM 0 HA PRO A 74 16.300 7.775 -5.576 1.00 1.25 H new ATOM 0 HB2 PRO A 74 18.503 7.005 -3.656 1.00 74.52 H new ATOM 0 HB3 PRO A 74 18.645 7.872 -5.172 1.00 74.52 H new ATOM 0 HG2 PRO A 74 18.939 9.177 -2.877 1.00 22.30 H new ATOM 0 HG3 PRO A 74 18.085 9.937 -4.206 1.00 22.30 H new ATOM 0 HD2 PRO A 74 16.948 8.633 -1.730 1.00 10.12 H new ATOM 0 HD3 PRO A 74 16.438 10.107 -2.528 1.00 10.12 H new ATOM 1061 N GLU A 75 15.842 5.689 -3.143 1.00 32.31 N ATOM 1062 CA GLU A 75 15.481 4.354 -2.763 1.00 32.41 C ATOM 1063 C GLU A 75 13.997 4.304 -2.398 1.00 52.24 C ATOM 1064 O GLU A 75 13.609 4.430 -1.220 1.00 70.41 O ATOM 1065 CB GLU A 75 16.311 3.891 -1.575 1.00 72.40 C ATOM 1066 CG GLU A 75 17.804 3.892 -1.818 1.00 2.42 C ATOM 1067 CD GLU A 75 18.574 3.689 -0.550 1.00 63.34 C ATOM 1068 OE1 GLU A 75 18.640 2.549 -0.046 1.00 61.33 O ATOM 1069 OE2 GLU A 75 19.118 4.683 -0.011 1.00 65.51 O ATOM 0 H GLU A 75 15.738 6.366 -2.387 1.00 32.31 H new ATOM 0 HA GLU A 75 15.675 3.691 -3.606 1.00 32.41 H new ATOM 0 HB2 GLU A 75 16.093 4.534 -0.722 1.00 72.40 H new ATOM 0 HB3 GLU A 75 16.000 2.883 -1.301 1.00 72.40 H new ATOM 0 HG2 GLU A 75 18.057 3.104 -2.527 1.00 2.42 H new ATOM 0 HG3 GLU A 75 18.097 4.838 -2.274 1.00 2.42 H new ATOM 1076 N SER A 76 13.184 4.268 -3.393 1.00 1.13 N ATOM 1077 CA SER A 76 11.774 4.070 -3.206 1.00 70.21 C ATOM 1078 C SER A 76 11.405 2.643 -3.595 1.00 52.51 C ATOM 1079 O SER A 76 11.626 2.223 -4.735 1.00 22.13 O ATOM 1080 CB SER A 76 10.964 5.085 -4.018 1.00 0.44 C ATOM 1081 OG SER A 76 11.168 6.421 -3.536 1.00 20.40 O ATOM 0 H SER A 76 13.470 4.374 -4.366 1.00 1.13 H new ATOM 0 HA SER A 76 11.532 4.226 -2.155 1.00 70.21 H new ATOM 0 HB2 SER A 76 11.252 5.027 -5.068 1.00 0.44 H new ATOM 0 HB3 SER A 76 9.905 4.835 -3.964 1.00 0.44 H new ATOM 0 HG SER A 76 10.426 6.673 -2.948 1.00 20.40 H new ATOM 1087 N ASP A 77 10.895 1.881 -2.636 1.00 60.50 N ATOM 1088 CA ASP A 77 10.464 0.514 -2.913 1.00 75.25 C ATOM 1089 C ASP A 77 9.121 0.560 -3.599 1.00 52.11 C ATOM 1090 O ASP A 77 8.875 -0.141 -4.573 1.00 61.44 O ATOM 1091 CB ASP A 77 10.411 -0.348 -1.643 1.00 72.23 C ATOM 1092 CG ASP A 77 11.767 -0.550 -0.993 1.00 53.35 C ATOM 1093 OD1 ASP A 77 12.606 -1.298 -1.541 1.00 53.00 O ATOM 1094 OD2 ASP A 77 12.017 0.026 0.079 1.00 11.02 O ATOM 0 H ASP A 77 10.770 2.181 -1.669 1.00 60.50 H new ATOM 0 HA ASP A 77 11.197 0.042 -3.567 1.00 75.25 H new ATOM 0 HB2 ASP A 77 9.738 0.119 -0.924 1.00 72.23 H new ATOM 0 HB3 ASP A 77 9.987 -1.321 -1.891 1.00 72.23 H new ATOM 1099 N ILE A 78 8.254 1.409 -3.090 1.00 11.12 N ATOM 1100 CA ILE A 78 7.007 1.699 -3.749 1.00 20.10 C ATOM 1101 C ILE A 78 6.974 3.189 -4.045 1.00 31.52 C ATOM 1102 O ILE A 78 7.793 3.940 -3.491 1.00 15.04 O ATOM 1103 CB ILE A 78 5.717 1.153 -3.011 1.00 13.10 C ATOM 1104 CG1 ILE A 78 5.588 1.616 -1.548 1.00 53.24 C ATOM 1105 CG2 ILE A 78 5.636 -0.364 -3.099 1.00 23.21 C ATOM 1106 CD1 ILE A 78 5.098 3.028 -1.379 1.00 3.02 C ATOM 0 H ILE A 78 8.396 1.912 -2.214 1.00 11.12 H new ATOM 0 HA ILE A 78 6.969 1.141 -4.685 1.00 20.10 H new ATOM 0 HB ILE A 78 4.872 1.591 -3.542 1.00 13.10 H new ATOM 0 HG12 ILE A 78 4.906 0.944 -1.027 1.00 53.24 H new ATOM 0 HG13 ILE A 78 6.560 1.522 -1.064 1.00 53.24 H new ATOM 0 HG21 ILE A 78 4.740 -0.711 -2.584 1.00 23.21 H new ATOM 0 HG22 ILE A 78 5.593 -0.666 -4.145 1.00 23.21 H new ATOM 0 HG23 ILE A 78 6.517 -0.803 -2.631 1.00 23.21 H new ATOM 0 HD11 ILE A 78 5.038 3.268 -0.317 1.00 3.02 H new ATOM 0 HD12 ILE A 78 5.790 3.714 -1.867 1.00 3.02 H new ATOM 0 HD13 ILE A 78 4.110 3.127 -1.830 1.00 3.02 H new ATOM 1118 N PHE A 79 6.068 3.627 -4.869 1.00 3.34 N ATOM 1119 CA PHE A 79 6.144 4.982 -5.377 1.00 41.35 C ATOM 1120 C PHE A 79 5.113 5.944 -4.809 1.00 45.10 C ATOM 1121 O PHE A 79 3.947 5.615 -4.642 1.00 32.10 O ATOM 1122 CB PHE A 79 6.104 4.996 -6.909 1.00 43.12 C ATOM 1123 CG PHE A 79 7.218 4.215 -7.552 1.00 1.14 C ATOM 1124 CD1 PHE A 79 8.487 4.757 -7.656 1.00 51.12 C ATOM 1125 CD2 PHE A 79 6.995 2.938 -8.046 1.00 45.12 C ATOM 1126 CE1 PHE A 79 9.512 4.044 -8.240 1.00 14.11 C ATOM 1127 CE2 PHE A 79 8.017 2.220 -8.634 1.00 1.12 C ATOM 1128 CZ PHE A 79 9.278 2.775 -8.729 1.00 50.15 C ATOM 0 H PHE A 79 5.275 3.081 -5.205 1.00 3.34 H new ATOM 0 HA PHE A 79 7.106 5.355 -5.027 1.00 41.35 H new ATOM 0 HB2 PHE A 79 5.149 4.590 -7.242 1.00 43.12 H new ATOM 0 HB3 PHE A 79 6.150 6.029 -7.255 1.00 43.12 H new ATOM 0 HD1 PHE A 79 8.676 5.750 -7.275 1.00 51.12 H new ATOM 0 HD2 PHE A 79 6.011 2.501 -7.970 1.00 45.12 H new ATOM 0 HE1 PHE A 79 10.498 4.478 -8.315 1.00 14.11 H new ATOM 0 HE2 PHE A 79 7.831 1.228 -9.018 1.00 1.12 H new ATOM 0 HZ PHE A 79 10.081 2.216 -9.186 1.00 50.15 H new ATOM 1138 N LEU A 80 5.608 7.118 -4.481 1.00 63.03 N ATOM 1139 CA LEU A 80 4.843 8.276 -4.084 1.00 12.45 C ATOM 1140 C LEU A 80 5.285 9.357 -5.026 1.00 54.31 C ATOM 1141 O LEU A 80 6.424 9.293 -5.522 1.00 11.54 O ATOM 1142 CB LEU A 80 5.128 8.735 -2.634 1.00 42.51 C ATOM 1143 CG LEU A 80 4.528 7.938 -1.456 1.00 14.02 C ATOM 1144 CD1 LEU A 80 3.015 7.887 -1.516 1.00 44.13 C ATOM 1145 CD2 LEU A 80 5.112 6.552 -1.341 1.00 42.14 C ATOM 0 H LEU A 80 6.612 7.298 -4.485 1.00 63.03 H new ATOM 0 HA LEU A 80 3.778 8.049 -4.120 1.00 12.45 H new ATOM 0 HB2 LEU A 80 6.210 8.750 -2.502 1.00 42.51 H new ATOM 0 HB3 LEU A 80 4.782 9.765 -2.543 1.00 42.51 H new ATOM 0 HG LEU A 80 4.805 8.481 -0.552 1.00 14.02 H new ATOM 0 HD11 LEU A 80 2.636 7.316 -0.668 1.00 44.13 H new ATOM 0 HD12 LEU A 80 2.615 8.900 -1.479 1.00 44.13 H new ATOM 0 HD13 LEU A 80 2.704 7.408 -2.444 1.00 44.13 H new ATOM 0 HD21 LEU A 80 4.656 6.034 -0.497 1.00 42.14 H new ATOM 0 HD22 LEU A 80 4.914 5.997 -2.258 1.00 42.14 H new ATOM 0 HD23 LEU A 80 6.188 6.623 -1.185 1.00 42.14 H new ATOM 1157 N ASP A 81 4.459 10.328 -5.286 1.00 72.51 N ATOM 1158 CA ASP A 81 4.844 11.339 -6.289 1.00 54.02 C ATOM 1159 C ASP A 81 4.343 12.734 -5.935 1.00 33.01 C ATOM 1160 O ASP A 81 4.814 13.744 -6.479 1.00 73.02 O ATOM 1161 CB ASP A 81 4.351 10.914 -7.681 1.00 34.22 C ATOM 1162 CG ASP A 81 4.980 11.707 -8.801 1.00 12.24 C ATOM 1163 OD1 ASP A 81 6.145 11.413 -9.164 1.00 44.43 O ATOM 1164 OD2 ASP A 81 4.328 12.624 -9.353 1.00 33.14 O ATOM 0 H ASP A 81 3.546 10.460 -4.851 1.00 72.51 H new ATOM 0 HA ASP A 81 5.933 11.395 -6.297 1.00 54.02 H new ATOM 0 HB2 ASP A 81 4.566 9.856 -7.828 1.00 34.22 H new ATOM 0 HB3 ASP A 81 3.268 11.029 -7.727 1.00 34.22 H new ATOM 1169 N ASP A 82 3.420 12.795 -5.004 1.00 71.15 N ATOM 1170 CA ASP A 82 2.833 14.033 -4.539 1.00 21.43 C ATOM 1171 C ASP A 82 3.822 14.810 -3.681 1.00 23.31 C ATOM 1172 O ASP A 82 4.810 14.262 -3.204 1.00 53.43 O ATOM 1173 CB ASP A 82 1.532 13.735 -3.773 1.00 52.13 C ATOM 1174 CG ASP A 82 1.696 12.668 -2.701 1.00 13.01 C ATOM 1175 OD1 ASP A 82 1.927 11.480 -3.077 1.00 45.02 O ATOM 1176 OD2 ASP A 82 1.594 12.998 -1.491 1.00 34.12 O ATOM 0 H ASP A 82 3.047 11.968 -4.538 1.00 71.15 H new ATOM 0 HA ASP A 82 2.589 14.659 -5.398 1.00 21.43 H new ATOM 0 HB2 ASP A 82 1.173 14.654 -3.309 1.00 52.13 H new ATOM 0 HB3 ASP A 82 0.767 13.415 -4.481 1.00 52.13 H new ATOM 1181 N VAL A 83 3.571 16.090 -3.510 1.00 44.32 N ATOM 1182 CA VAL A 83 4.477 16.971 -2.761 1.00 30.02 C ATOM 1183 C VAL A 83 4.310 16.749 -1.246 1.00 11.10 C ATOM 1184 O VAL A 83 5.167 17.113 -0.426 1.00 53.00 O ATOM 1185 CB VAL A 83 4.227 18.467 -3.138 1.00 24.53 C ATOM 1186 CG1 VAL A 83 2.843 18.934 -2.711 1.00 14.02 C ATOM 1187 CG2 VAL A 83 5.309 19.379 -2.584 1.00 42.23 C ATOM 0 H VAL A 83 2.743 16.558 -3.878 1.00 44.32 H new ATOM 0 HA VAL A 83 5.504 16.724 -3.031 1.00 30.02 H new ATOM 0 HB VAL A 83 4.273 18.529 -4.225 1.00 24.53 H new ATOM 0 HG11 VAL A 83 2.709 19.979 -2.991 1.00 14.02 H new ATOM 0 HG12 VAL A 83 2.085 18.326 -3.205 1.00 14.02 H new ATOM 0 HG13 VAL A 83 2.742 18.832 -1.630 1.00 14.02 H new ATOM 0 HG21 VAL A 83 5.097 20.410 -2.869 1.00 42.23 H new ATOM 0 HG22 VAL A 83 5.330 19.300 -1.497 1.00 42.23 H new ATOM 0 HG23 VAL A 83 6.277 19.082 -2.988 1.00 42.23 H new ATOM 1197 N THR A 84 3.228 16.121 -0.905 1.00 11.21 N ATOM 1198 CA THR A 84 2.863 15.823 0.435 1.00 34.10 C ATOM 1199 C THR A 84 3.543 14.540 0.976 1.00 44.11 C ATOM 1200 O THR A 84 3.205 14.043 2.058 1.00 44.45 O ATOM 1201 CB THR A 84 1.346 15.741 0.474 1.00 4.22 C ATOM 1202 OG1 THR A 84 0.885 15.412 -0.858 1.00 54.01 O ATOM 1203 CG2 THR A 84 0.741 17.072 0.901 1.00 4.42 C ATOM 0 H THR A 84 2.548 15.789 -1.589 1.00 11.21 H new ATOM 0 HA THR A 84 3.217 16.610 1.101 1.00 34.10 H new ATOM 0 HB THR A 84 1.040 14.983 1.195 1.00 4.22 H new ATOM 0 HG1 THR A 84 1.329 14.594 -1.165 1.00 54.01 H new ATOM 0 HG21 THR A 84 -0.346 16.988 0.921 1.00 4.42 H new ATOM 0 HG22 THR A 84 1.103 17.334 1.895 1.00 4.42 H new ATOM 0 HG23 THR A 84 1.032 17.848 0.193 1.00 4.42 H new ATOM 1211 N VAL A 85 4.519 14.040 0.244 1.00 61.02 N ATOM 1212 CA VAL A 85 5.273 12.887 0.676 1.00 55.43 C ATOM 1213 C VAL A 85 6.392 13.325 1.636 1.00 3.51 C ATOM 1214 O VAL A 85 7.026 14.378 1.445 1.00 61.24 O ATOM 1215 CB VAL A 85 5.867 12.081 -0.526 1.00 15.42 C ATOM 1216 CG1 VAL A 85 6.877 12.898 -1.322 1.00 11.50 C ATOM 1217 CG2 VAL A 85 6.489 10.781 -0.052 1.00 11.11 C ATOM 0 H VAL A 85 4.807 14.419 -0.658 1.00 61.02 H new ATOM 0 HA VAL A 85 4.586 12.220 1.197 1.00 55.43 H new ATOM 0 HB VAL A 85 5.038 11.848 -1.194 1.00 15.42 H new ATOM 0 HG11 VAL A 85 7.262 12.297 -2.146 1.00 11.50 H new ATOM 0 HG12 VAL A 85 6.392 13.790 -1.719 1.00 11.50 H new ATOM 0 HG13 VAL A 85 7.701 13.192 -0.671 1.00 11.50 H new ATOM 0 HG21 VAL A 85 6.895 10.239 -0.906 1.00 11.11 H new ATOM 0 HG22 VAL A 85 7.290 10.997 0.654 1.00 11.11 H new ATOM 0 HG23 VAL A 85 5.729 10.171 0.437 1.00 11.11 H new ATOM 1227 N SER A 86 6.599 12.551 2.661 1.00 21.41 N ATOM 1228 CA SER A 86 7.615 12.816 3.636 1.00 72.30 C ATOM 1229 C SER A 86 8.776 11.836 3.407 1.00 21.41 C ATOM 1230 O SER A 86 8.585 10.780 2.771 1.00 22.24 O ATOM 1231 CB SER A 86 6.992 12.618 5.030 1.00 64.25 C ATOM 1232 OG SER A 86 7.861 12.964 6.102 1.00 50.50 O ATOM 0 H SER A 86 6.059 11.706 2.845 1.00 21.41 H new ATOM 0 HA SER A 86 7.998 13.833 3.555 1.00 72.30 H new ATOM 0 HB2 SER A 86 6.085 13.219 5.101 1.00 64.25 H new ATOM 0 HB3 SER A 86 6.693 11.576 5.139 1.00 64.25 H new ATOM 0 HG SER A 86 7.562 12.518 6.922 1.00 50.50 H new ATOM 1238 N ARG A 87 9.977 12.197 3.868 1.00 12.42 N ATOM 1239 CA ARG A 87 11.107 11.282 3.812 1.00 3.34 C ATOM 1240 C ARG A 87 10.831 10.183 4.814 1.00 35.23 C ATOM 1241 O ARG A 87 10.851 10.419 6.040 1.00 33.30 O ATOM 1242 CB ARG A 87 12.435 11.976 4.116 1.00 34.41 C ATOM 1243 CG ARG A 87 12.824 13.074 3.144 1.00 53.13 C ATOM 1244 CD ARG A 87 14.174 13.653 3.520 1.00 34.50 C ATOM 1245 NE ARG A 87 14.597 14.747 2.640 1.00 73.21 N ATOM 1246 CZ ARG A 87 15.806 15.323 2.674 1.00 3.21 C ATOM 1247 NH1 ARG A 87 16.724 14.896 3.544 1.00 42.12 N ATOM 1248 NH2 ARG A 87 16.090 16.325 1.852 1.00 61.24 N ATOM 0 H ARG A 87 10.185 13.107 4.279 1.00 12.42 H new ATOM 0 HA ARG A 87 11.208 10.883 2.803 1.00 3.34 H new ATOM 0 HB2 ARG A 87 12.384 12.401 5.119 1.00 34.41 H new ATOM 0 HB3 ARG A 87 13.225 11.225 4.128 1.00 34.41 H new ATOM 0 HG2 ARG A 87 12.861 12.676 2.130 1.00 53.13 H new ATOM 0 HG3 ARG A 87 12.069 13.860 3.151 1.00 53.13 H new ATOM 0 HD2 ARG A 87 14.133 14.016 4.547 1.00 34.50 H new ATOM 0 HD3 ARG A 87 14.923 12.861 3.491 1.00 34.50 H new ATOM 0 HE ARG A 87 13.925 15.093 1.955 1.00 73.21 H new ATOM 0 HH11 ARG A 87 16.505 14.131 4.183 1.00 42.12 H new ATOM 0 HH12 ARG A 87 17.645 15.334 3.570 1.00 42.12 H new ATOM 0 HH21 ARG A 87 15.387 16.658 1.192 1.00 61.24 H new ATOM 0 HH22 ARG A 87 17.011 16.762 1.880 1.00 61.24 H new ATOM 1262 N ARG A 88 10.577 9.005 4.285 1.00 70.12 N ATOM 1263 CA ARG A 88 10.021 7.893 5.017 1.00 31.03 C ATOM 1264 C ARG A 88 8.670 8.311 5.543 1.00 24.44 C ATOM 1265 O ARG A 88 8.511 8.742 6.684 1.00 3.10 O ATOM 1266 CB ARG A 88 10.931 7.295 6.108 1.00 62.21 C ATOM 1267 CG ARG A 88 12.232 6.702 5.576 1.00 62.43 C ATOM 1268 CD ARG A 88 12.918 5.868 6.641 1.00 63.03 C ATOM 1269 NE ARG A 88 14.219 5.337 6.205 1.00 40.02 N ATOM 1270 CZ ARG A 88 14.696 4.109 6.519 1.00 31.11 C ATOM 1271 NH1 ARG A 88 13.887 3.166 7.003 1.00 43.53 N ATOM 1272 NH2 ARG A 88 15.966 3.806 6.271 1.00 44.22 N ATOM 0 H ARG A 88 10.758 8.791 3.304 1.00 70.12 H new ATOM 0 HA ARG A 88 9.919 7.059 4.323 1.00 31.03 H new ATOM 0 HB2 ARG A 88 11.169 8.072 6.834 1.00 62.21 H new ATOM 0 HB3 ARG A 88 10.381 6.519 6.640 1.00 62.21 H new ATOM 0 HG2 ARG A 88 12.025 6.085 4.702 1.00 62.43 H new ATOM 0 HG3 ARG A 88 12.896 7.503 5.251 1.00 62.43 H new ATOM 0 HD2 ARG A 88 13.061 6.476 7.535 1.00 63.03 H new ATOM 0 HD3 ARG A 88 12.268 5.039 6.920 1.00 63.03 H new ATOM 0 HE ARG A 88 14.804 5.937 5.624 1.00 40.02 H new ATOM 0 HH11 ARG A 88 12.896 3.366 7.141 1.00 43.53 H new ATOM 0 HH12 ARG A 88 14.259 2.245 7.236 1.00 43.53 H new ATOM 0 HH21 ARG A 88 16.582 4.498 5.844 1.00 44.22 H new ATOM 0 HH22 ARG A 88 16.325 2.881 6.508 1.00 44.22 H new ATOM 1286 N HIS A 89 7.731 8.283 4.644 1.00 13.02 N ATOM 1287 CA HIS A 89 6.378 8.704 4.885 1.00 54.12 C ATOM 1288 C HIS A 89 5.670 7.618 5.651 1.00 61.23 C ATOM 1289 O HIS A 89 4.947 7.873 6.623 1.00 63.51 O ATOM 1290 CB HIS A 89 5.718 8.958 3.518 1.00 14.51 C ATOM 1291 CG HIS A 89 4.309 9.454 3.539 1.00 10.22 C ATOM 1292 ND1 HIS A 89 4.025 10.797 3.489 1.00 51.14 N ATOM 1293 CD2 HIS A 89 3.150 8.754 3.523 1.00 74.42 C ATOM 1294 CE1 HIS A 89 2.711 10.874 3.430 1.00 62.42 C ATOM 1295 NE2 HIS A 89 2.138 9.672 3.449 1.00 43.25 N ATOM 0 H HIS A 89 7.889 7.956 3.691 1.00 13.02 H new ATOM 0 HA HIS A 89 6.332 9.619 5.475 1.00 54.12 H new ATOM 0 HB2 HIS A 89 6.326 9.681 2.975 1.00 14.51 H new ATOM 0 HB3 HIS A 89 5.744 8.029 2.949 1.00 14.51 H new ATOM 0 HD2 HIS A 89 3.045 7.680 3.561 1.00 74.42 H new ATOM 0 HE1 HIS A 89 2.163 11.803 3.373 1.00 62.42 H new ATOM 0 HE2 HIS A 89 1.138 9.474 3.415 1.00 43.25 H new ATOM 1303 N ALA A 90 5.909 6.418 5.224 1.00 41.35 N ATOM 1304 CA ALA A 90 5.359 5.259 5.838 1.00 10.53 C ATOM 1305 C ALA A 90 6.325 4.141 5.619 1.00 51.44 C ATOM 1306 O ALA A 90 7.180 4.226 4.720 1.00 5.33 O ATOM 1307 CB ALA A 90 4.000 4.918 5.232 1.00 21.13 C ATOM 0 H ALA A 90 6.505 6.216 4.421 1.00 41.35 H new ATOM 0 HA ALA A 90 5.203 5.430 6.903 1.00 10.53 H new ATOM 0 HB1 ALA A 90 3.598 4.028 5.717 1.00 21.13 H new ATOM 0 HB2 ALA A 90 3.315 5.753 5.381 1.00 21.13 H new ATOM 0 HB3 ALA A 90 4.115 4.729 4.165 1.00 21.13 H new ATOM 1313 N GLU A 91 6.245 3.135 6.411 1.00 50.44 N ATOM 1314 CA GLU A 91 7.088 2.003 6.219 1.00 74.34 C ATOM 1315 C GLU A 91 6.245 0.772 6.401 1.00 40.54 C ATOM 1316 O GLU A 91 5.512 0.647 7.397 1.00 53.14 O ATOM 1317 CB GLU A 91 8.271 2.059 7.188 1.00 61.42 C ATOM 1318 CG GLU A 91 9.377 1.058 6.913 1.00 31.42 C ATOM 1319 CD GLU A 91 10.607 1.354 7.733 1.00 65.34 C ATOM 1320 OE1 GLU A 91 11.370 2.268 7.364 1.00 70.14 O ATOM 1321 OE2 GLU A 91 10.836 0.697 8.773 1.00 64.02 O ATOM 0 H GLU A 91 5.604 3.068 7.202 1.00 50.44 H new ATOM 0 HA GLU A 91 7.516 1.989 5.217 1.00 74.34 H new ATOM 0 HB2 GLU A 91 8.696 3.063 7.161 1.00 61.42 H new ATOM 0 HB3 GLU A 91 7.900 1.897 8.200 1.00 61.42 H new ATOM 0 HG2 GLU A 91 9.023 0.052 7.137 1.00 31.42 H new ATOM 0 HG3 GLU A 91 9.632 1.078 5.853 1.00 31.42 H new ATOM 1328 N PHE A 92 6.300 -0.098 5.442 1.00 60.45 N ATOM 1329 CA PHE A 92 5.505 -1.291 5.461 1.00 5.33 C ATOM 1330 C PHE A 92 6.404 -2.472 5.673 1.00 31.11 C ATOM 1331 O PHE A 92 7.387 -2.652 4.944 1.00 14.41 O ATOM 1332 CB PHE A 92 4.737 -1.472 4.138 1.00 34.50 C ATOM 1333 CG PHE A 92 3.808 -0.344 3.770 1.00 33.31 C ATOM 1334 CD1 PHE A 92 2.535 -0.280 4.298 1.00 21.44 C ATOM 1335 CD2 PHE A 92 4.206 0.641 2.874 1.00 43.41 C ATOM 1336 CE1 PHE A 92 1.672 0.743 3.948 1.00 32.44 C ATOM 1337 CE2 PHE A 92 3.348 1.666 2.524 1.00 50.40 C ATOM 1338 CZ PHE A 92 2.080 1.715 3.061 1.00 4.32 C ATOM 0 H PHE A 92 6.898 -0.003 4.621 1.00 60.45 H new ATOM 0 HA PHE A 92 4.779 -1.210 6.270 1.00 5.33 H new ATOM 0 HB2 PHE A 92 5.460 -1.602 3.333 1.00 34.50 H new ATOM 0 HB3 PHE A 92 4.157 -2.393 4.197 1.00 34.50 H new ATOM 0 HD1 PHE A 92 2.208 -1.039 4.994 1.00 21.44 H new ATOM 0 HD2 PHE A 92 5.197 0.605 2.446 1.00 43.41 H new ATOM 0 HE1 PHE A 92 0.679 0.780 4.370 1.00 32.44 H new ATOM 0 HE2 PHE A 92 3.671 2.428 1.830 1.00 50.40 H new ATOM 0 HZ PHE A 92 1.407 2.514 2.787 1.00 4.32 H new ATOM 1348 N ARG A 93 6.125 -3.239 6.674 1.00 15.24 N ATOM 1349 CA ARG A 93 6.869 -4.437 6.908 1.00 61.01 C ATOM 1350 C ARG A 93 6.013 -5.660 6.853 1.00 62.32 C ATOM 1351 O ARG A 93 4.898 -5.682 7.366 1.00 62.23 O ATOM 1352 CB ARG A 93 7.666 -4.417 8.214 1.00 60.22 C ATOM 1353 CG ARG A 93 9.033 -3.775 8.093 1.00 51.24 C ATOM 1354 CD ARG A 93 9.867 -3.999 9.349 1.00 0.14 C ATOM 1355 NE ARG A 93 9.900 -5.425 9.758 1.00 55.12 N ATOM 1356 CZ ARG A 93 10.671 -6.401 9.219 1.00 13.34 C ATOM 1357 NH1 ARG A 93 11.434 -6.181 8.152 1.00 64.44 N ATOM 1358 NH2 ARG A 93 10.674 -7.607 9.752 1.00 40.32 N ATOM 0 H ARG A 93 5.382 -3.058 7.349 1.00 15.24 H new ATOM 0 HA ARG A 93 7.587 -4.478 6.089 1.00 61.01 H new ATOM 0 HB2 ARG A 93 7.091 -3.883 8.970 1.00 60.22 H new ATOM 0 HB3 ARG A 93 7.787 -5.440 8.569 1.00 60.22 H new ATOM 0 HG2 ARG A 93 9.555 -4.188 7.230 1.00 51.24 H new ATOM 0 HG3 ARG A 93 8.920 -2.705 7.916 1.00 51.24 H new ATOM 0 HD2 ARG A 93 10.885 -3.650 9.173 1.00 0.14 H new ATOM 0 HD3 ARG A 93 9.461 -3.399 10.164 1.00 0.14 H new ATOM 0 HE ARG A 93 9.281 -5.698 10.521 1.00 55.12 H new ATOM 0 HH11 ARG A 93 11.449 -5.258 7.717 1.00 64.44 H new ATOM 0 HH12 ARG A 93 12.004 -6.935 7.768 1.00 64.44 H new ATOM 0 HH21 ARG A 93 10.096 -7.805 10.569 1.00 40.32 H new ATOM 0 HH22 ARG A 93 11.254 -8.342 9.347 1.00 40.32 H new ATOM 1372 N ILE A 94 6.533 -6.669 6.236 1.00 32.44 N ATOM 1373 CA ILE A 94 5.905 -7.938 6.222 1.00 61.01 C ATOM 1374 C ILE A 94 6.831 -8.888 6.947 1.00 21.43 C ATOM 1375 O ILE A 94 7.997 -9.043 6.595 1.00 52.12 O ATOM 1376 CB ILE A 94 5.438 -8.421 4.773 1.00 45.40 C ATOM 1377 CG1 ILE A 94 6.569 -8.519 3.717 1.00 44.42 C ATOM 1378 CG2 ILE A 94 4.332 -7.521 4.242 1.00 33.44 C ATOM 1379 CD1 ILE A 94 7.367 -9.814 3.733 1.00 64.43 C ATOM 0 H ILE A 94 7.414 -6.630 5.724 1.00 32.44 H new ATOM 0 HA ILE A 94 4.950 -7.895 6.745 1.00 61.01 H new ATOM 0 HB ILE A 94 5.077 -9.438 4.923 1.00 45.40 H new ATOM 0 HG12 ILE A 94 6.130 -8.395 2.727 1.00 44.42 H new ATOM 0 HG13 ILE A 94 7.256 -7.687 3.868 1.00 44.42 H new ATOM 0 HG21 ILE A 94 4.026 -7.865 3.254 1.00 33.44 H new ATOM 0 HG22 ILE A 94 3.478 -7.556 4.919 1.00 33.44 H new ATOM 0 HG23 ILE A 94 4.698 -6.497 4.172 1.00 33.44 H new ATOM 0 HD11 ILE A 94 8.132 -9.780 2.957 1.00 64.43 H new ATOM 0 HD12 ILE A 94 7.843 -9.936 4.706 1.00 64.43 H new ATOM 0 HD13 ILE A 94 6.699 -10.655 3.548 1.00 64.43 H new ATOM 1391 N ASN A 95 6.360 -9.400 8.035 1.00 13.23 N ATOM 1392 CA ASN A 95 7.173 -10.197 8.899 1.00 55.00 C ATOM 1393 C ASN A 95 6.620 -11.582 9.015 1.00 33.00 C ATOM 1394 O ASN A 95 5.412 -11.783 8.898 1.00 1.51 O ATOM 1395 CB ASN A 95 7.354 -9.538 10.282 1.00 52.12 C ATOM 1396 CG ASN A 95 8.393 -10.249 11.145 1.00 4.11 C ATOM 1397 OD1 ASN A 95 9.350 -10.828 10.634 1.00 22.42 O ATOM 1398 ND2 ASN A 95 8.229 -10.197 12.435 1.00 72.04 N ATOM 0 H ASN A 95 5.398 -9.279 8.353 1.00 13.23 H new ATOM 0 HA ASN A 95 8.165 -10.268 8.453 1.00 55.00 H new ATOM 0 HB2 ASN A 95 7.651 -8.498 10.148 1.00 52.12 H new ATOM 0 HB3 ASN A 95 6.397 -9.532 10.804 1.00 52.12 H new ATOM 0 HD21 ASN A 95 8.905 -10.645 13.054 1.00 72.04 H new ATOM 0 HD22 ASN A 95 7.424 -9.709 12.827 1.00 72.04 H new ATOM 1405 N GLU A 96 7.519 -12.534 9.177 1.00 3.15 N ATOM 1406 CA GLU A 96 7.212 -13.956 9.350 1.00 72.13 C ATOM 1407 C GLU A 96 6.072 -14.193 10.369 1.00 22.42 C ATOM 1408 O GLU A 96 5.294 -15.139 10.230 1.00 13.21 O ATOM 1409 CB GLU A 96 8.497 -14.695 9.763 1.00 50.52 C ATOM 1410 CG GLU A 96 9.163 -14.108 11.010 1.00 61.31 C ATOM 1411 CD GLU A 96 10.506 -14.712 11.330 1.00 14.34 C ATOM 1412 OE1 GLU A 96 10.547 -15.832 11.855 1.00 54.22 O ATOM 1413 OE2 GLU A 96 11.541 -14.040 11.112 1.00 72.41 O ATOM 0 H GLU A 96 8.520 -12.340 9.194 1.00 3.15 H new ATOM 0 HA GLU A 96 6.851 -14.352 8.401 1.00 72.13 H new ATOM 0 HB2 GLU A 96 8.261 -15.743 9.946 1.00 50.52 H new ATOM 0 HB3 GLU A 96 9.205 -14.667 8.935 1.00 50.52 H new ATOM 0 HG2 GLU A 96 9.283 -13.033 10.873 1.00 61.31 H new ATOM 0 HG3 GLU A 96 8.500 -14.249 11.864 1.00 61.31 H new ATOM 1420 N GLY A 97 5.987 -13.326 11.369 1.00 63.14 N ATOM 1421 CA GLY A 97 4.917 -13.391 12.324 1.00 74.15 C ATOM 1422 C GLY A 97 3.635 -12.792 11.766 1.00 14.32 C ATOM 1423 O GLY A 97 2.648 -13.494 11.595 1.00 72.41 O ATOM 0 H GLY A 97 6.654 -12.571 11.530 1.00 63.14 H new ATOM 0 HA2 GLY A 97 4.742 -14.429 12.606 1.00 74.15 H new ATOM 0 HA3 GLY A 97 5.204 -12.858 13.231 1.00 74.15 H new ATOM 1427 N GLU A 98 3.690 -11.519 11.389 1.00 61.24 N ATOM 1428 CA GLU A 98 2.532 -10.759 10.922 1.00 20.55 C ATOM 1429 C GLU A 98 3.007 -9.579 10.094 1.00 30.23 C ATOM 1430 O GLU A 98 4.206 -9.320 10.023 1.00 31.04 O ATOM 1431 CB GLU A 98 1.644 -10.256 12.088 1.00 44.10 C ATOM 1432 CG GLU A 98 0.741 -11.315 12.728 1.00 31.51 C ATOM 1433 CD GLU A 98 -0.148 -10.777 13.832 1.00 53.32 C ATOM 1434 OE1 GLU A 98 0.280 -10.762 15.008 1.00 44.10 O ATOM 1435 OE2 GLU A 98 -1.309 -10.397 13.557 1.00 31.43 O ATOM 0 H GLU A 98 4.553 -10.976 11.399 1.00 61.24 H new ATOM 0 HA GLU A 98 1.920 -11.428 10.317 1.00 20.55 H new ATOM 0 HB2 GLU A 98 2.290 -9.838 12.860 1.00 44.10 H new ATOM 0 HB3 GLU A 98 1.018 -9.442 11.721 1.00 44.10 H new ATOM 0 HG2 GLU A 98 0.115 -11.760 11.955 1.00 31.51 H new ATOM 0 HG3 GLU A 98 1.364 -12.113 13.132 1.00 31.51 H new ATOM 1442 N PHE A 99 2.090 -8.866 9.495 1.00 41.35 N ATOM 1443 CA PHE A 99 2.430 -7.735 8.647 1.00 31.45 C ATOM 1444 C PHE A 99 2.169 -6.463 9.432 1.00 31.24 C ATOM 1445 O PHE A 99 1.135 -6.352 10.059 1.00 44.24 O ATOM 1446 CB PHE A 99 1.548 -7.740 7.388 1.00 52.24 C ATOM 1447 CG PHE A 99 1.438 -9.079 6.703 1.00 62.25 C ATOM 1448 CD1 PHE A 99 2.566 -9.767 6.294 1.00 35.23 C ATOM 1449 CD2 PHE A 99 0.193 -9.650 6.484 1.00 54.51 C ATOM 1450 CE1 PHE A 99 2.460 -10.997 5.678 1.00 1.04 C ATOM 1451 CE2 PHE A 99 0.080 -10.880 5.869 1.00 62.30 C ATOM 1452 CZ PHE A 99 1.215 -11.553 5.464 1.00 65.43 C ATOM 0 H PHE A 99 1.089 -9.045 9.575 1.00 41.35 H new ATOM 0 HA PHE A 99 3.476 -7.796 8.346 1.00 31.45 H new ATOM 0 HB2 PHE A 99 0.548 -7.403 7.660 1.00 52.24 H new ATOM 0 HB3 PHE A 99 1.947 -7.015 6.678 1.00 52.24 H new ATOM 0 HD1 PHE A 99 3.542 -9.336 6.459 1.00 35.23 H new ATOM 0 HD2 PHE A 99 -0.698 -9.126 6.798 1.00 54.51 H new ATOM 0 HE1 PHE A 99 3.349 -11.524 5.364 1.00 1.04 H new ATOM 0 HE2 PHE A 99 -0.895 -11.315 5.705 1.00 62.30 H new ATOM 0 HZ PHE A 99 1.129 -12.514 4.980 1.00 65.43 H new ATOM 1462 N GLU A 100 3.075 -5.518 9.403 1.00 14.11 N ATOM 1463 CA GLU A 100 2.918 -4.291 10.169 1.00 13.41 C ATOM 1464 C GLU A 100 3.189 -3.032 9.380 1.00 61.42 C ATOM 1465 O GLU A 100 4.160 -2.935 8.625 1.00 44.25 O ATOM 1466 CB GLU A 100 3.715 -4.300 11.463 1.00 24.14 C ATOM 1467 CG GLU A 100 3.141 -5.230 12.496 1.00 43.03 C ATOM 1468 CD GLU A 100 3.879 -5.193 13.788 1.00 14.41 C ATOM 1469 OE1 GLU A 100 4.868 -5.943 13.949 1.00 74.33 O ATOM 1470 OE2 GLU A 100 3.483 -4.436 14.699 1.00 53.35 O ATOM 0 H GLU A 100 3.935 -5.568 8.857 1.00 14.11 H new ATOM 0 HA GLU A 100 1.859 -4.271 10.427 1.00 13.41 H new ATOM 0 HB2 GLU A 100 4.743 -4.593 11.249 1.00 24.14 H new ATOM 0 HB3 GLU A 100 3.749 -3.289 11.870 1.00 24.14 H new ATOM 0 HG2 GLU A 100 2.098 -4.968 12.673 1.00 43.03 H new ATOM 0 HG3 GLU A 100 3.153 -6.248 12.107 1.00 43.03 H new ATOM 1477 N VAL A 101 2.324 -2.083 9.566 1.00 15.04 N ATOM 1478 CA VAL A 101 2.439 -0.789 8.955 1.00 11.41 C ATOM 1479 C VAL A 101 2.746 0.216 10.044 1.00 41.01 C ATOM 1480 O VAL A 101 2.082 0.239 11.093 1.00 12.22 O ATOM 1481 CB VAL A 101 1.156 -0.369 8.148 1.00 0.24 C ATOM 1482 CG1 VAL A 101 -0.111 -0.406 9.004 1.00 72.14 C ATOM 1483 CG2 VAL A 101 1.333 1.012 7.523 1.00 62.21 C ATOM 0 H VAL A 101 1.500 -2.186 10.159 1.00 15.04 H new ATOM 0 HA VAL A 101 3.244 -0.824 8.221 1.00 11.41 H new ATOM 0 HB VAL A 101 1.032 -1.104 7.353 1.00 0.24 H new ATOM 0 HG11 VAL A 101 -0.967 -0.108 8.399 1.00 72.14 H new ATOM 0 HG12 VAL A 101 -0.267 -1.417 9.380 1.00 72.14 H new ATOM 0 HG13 VAL A 101 -0.003 0.280 9.844 1.00 72.14 H new ATOM 0 HG21 VAL A 101 0.432 1.279 6.970 1.00 62.21 H new ATOM 0 HG22 VAL A 101 1.509 1.747 8.308 1.00 62.21 H new ATOM 0 HG23 VAL A 101 2.185 0.997 6.843 1.00 62.21 H new ATOM 1493 N VAL A 102 3.771 0.974 9.851 1.00 0.32 N ATOM 1494 CA VAL A 102 4.139 1.950 10.824 1.00 34.23 C ATOM 1495 C VAL A 102 4.093 3.371 10.250 1.00 2.21 C ATOM 1496 O VAL A 102 4.616 3.640 9.141 1.00 73.54 O ATOM 1497 CB VAL A 102 5.521 1.606 11.487 1.00 60.20 C ATOM 1498 CG1 VAL A 102 6.627 1.460 10.460 1.00 40.15 C ATOM 1499 CG2 VAL A 102 5.907 2.618 12.558 1.00 4.21 C ATOM 0 H VAL A 102 4.371 0.938 9.027 1.00 0.32 H new ATOM 0 HA VAL A 102 3.396 1.920 11.621 1.00 34.23 H new ATOM 0 HB VAL A 102 5.394 0.639 11.974 1.00 60.20 H new ATOM 0 HG11 VAL A 102 7.563 1.222 10.965 1.00 40.15 H new ATOM 0 HG12 VAL A 102 6.375 0.658 9.766 1.00 40.15 H new ATOM 0 HG13 VAL A 102 6.738 2.394 9.910 1.00 40.15 H new ATOM 0 HG21 VAL A 102 6.869 2.342 12.990 1.00 4.21 H new ATOM 0 HG22 VAL A 102 5.981 3.610 12.112 1.00 4.21 H new ATOM 0 HG23 VAL A 102 5.148 2.628 13.340 1.00 4.21 H new ATOM 1509 N ASP A 103 3.430 4.254 10.973 1.00 63.21 N ATOM 1510 CA ASP A 103 3.380 5.651 10.649 1.00 15.12 C ATOM 1511 C ASP A 103 4.666 6.236 11.182 1.00 42.34 C ATOM 1512 O ASP A 103 4.836 6.396 12.400 1.00 61.25 O ATOM 1513 CB ASP A 103 2.234 6.337 11.432 1.00 43.35 C ATOM 1514 CG ASP A 103 0.851 5.734 11.266 1.00 53.11 C ATOM 1515 OD1 ASP A 103 0.628 4.602 11.728 1.00 13.54 O ATOM 1516 OD2 ASP A 103 -0.045 6.444 10.759 1.00 50.02 O ATOM 0 H ASP A 103 2.906 4.008 11.813 1.00 63.21 H new ATOM 0 HA ASP A 103 3.236 5.792 9.578 1.00 15.12 H new ATOM 0 HB2 ASP A 103 2.488 6.324 12.492 1.00 43.35 H new ATOM 0 HB3 ASP A 103 2.190 7.383 11.128 1.00 43.35 H new ATOM 1521 N VAL A 104 5.577 6.548 10.303 1.00 2.31 N ATOM 1522 CA VAL A 104 6.889 7.031 10.723 1.00 1.51 C ATOM 1523 C VAL A 104 7.051 8.523 10.535 1.00 44.24 C ATOM 1524 O VAL A 104 8.153 9.058 10.639 1.00 0.45 O ATOM 1525 CB VAL A 104 8.050 6.260 10.038 1.00 42.21 C ATOM 1526 CG1 VAL A 104 8.106 4.840 10.557 1.00 5.24 C ATOM 1527 CG2 VAL A 104 7.878 6.244 8.530 1.00 14.33 C ATOM 0 H VAL A 104 5.449 6.482 9.293 1.00 2.31 H new ATOM 0 HA VAL A 104 6.944 6.831 11.793 1.00 1.51 H new ATOM 0 HB VAL A 104 8.982 6.772 10.275 1.00 42.21 H new ATOM 0 HG11 VAL A 104 8.923 4.307 10.071 1.00 5.24 H new ATOM 0 HG12 VAL A 104 8.271 4.853 11.634 1.00 5.24 H new ATOM 0 HG13 VAL A 104 7.164 4.336 10.340 1.00 5.24 H new ATOM 0 HG21 VAL A 104 8.704 5.698 8.075 1.00 14.33 H new ATOM 0 HG22 VAL A 104 6.937 5.756 8.276 1.00 14.33 H new ATOM 0 HG23 VAL A 104 7.869 7.267 8.154 1.00 14.33 H new ATOM 1537 N GLY A 105 5.957 9.193 10.309 1.00 53.24 N ATOM 1538 CA GLY A 105 5.995 10.622 10.149 1.00 5.24 C ATOM 1539 C GLY A 105 5.619 11.020 8.764 1.00 43.14 C ATOM 1540 O GLY A 105 6.468 11.420 7.960 1.00 5.52 O ATOM 0 H GLY A 105 5.029 8.776 10.231 1.00 53.24 H new ATOM 0 HA2 GLY A 105 5.315 11.088 10.861 1.00 5.24 H new ATOM 0 HA3 GLY A 105 6.996 10.989 10.377 1.00 5.24 H new ATOM 1544 N SER A 106 4.361 10.918 8.481 1.00 42.54 N ATOM 1545 CA SER A 106 3.843 11.210 7.196 1.00 15.30 C ATOM 1546 C SER A 106 3.411 12.673 7.121 1.00 13.10 C ATOM 1547 O SER A 106 2.828 13.206 8.063 1.00 32.42 O ATOM 1548 CB SER A 106 2.677 10.273 6.957 1.00 35.30 C ATOM 1549 OG SER A 106 1.809 10.283 8.077 1.00 52.14 O ATOM 0 H SER A 106 3.655 10.623 9.155 1.00 42.54 H new ATOM 0 HA SER A 106 4.599 11.063 6.425 1.00 15.30 H new ATOM 0 HB2 SER A 106 2.133 10.577 6.063 1.00 35.30 H new ATOM 0 HB3 SER A 106 3.043 9.262 6.779 1.00 35.30 H new ATOM 0 HG SER A 106 1.695 9.369 8.410 1.00 52.14 H new ATOM 1555 N LEU A 107 3.709 13.323 6.018 1.00 40.22 N ATOM 1556 CA LEU A 107 3.338 14.710 5.853 1.00 13.24 C ATOM 1557 C LEU A 107 1.882 14.758 5.387 1.00 32.13 C ATOM 1558 O LEU A 107 1.068 15.491 5.928 1.00 14.53 O ATOM 1559 CB LEU A 107 4.305 15.383 4.843 1.00 4.40 C ATOM 1560 CG LEU A 107 4.341 16.925 4.769 1.00 2.10 C ATOM 1561 CD1 LEU A 107 5.532 17.368 3.944 1.00 21.31 C ATOM 1562 CD2 LEU A 107 3.068 17.515 4.169 1.00 21.21 C ATOM 0 H LEU A 107 4.205 12.915 5.225 1.00 40.22 H new ATOM 0 HA LEU A 107 3.418 15.261 6.790 1.00 13.24 H new ATOM 0 HB2 LEU A 107 5.314 15.039 5.071 1.00 4.40 H new ATOM 0 HB3 LEU A 107 4.058 15.010 3.849 1.00 4.40 H new ATOM 0 HG LEU A 107 4.423 17.292 5.792 1.00 2.10 H new ATOM 0 HD11 LEU A 107 5.555 18.457 3.893 1.00 21.31 H new ATOM 0 HD12 LEU A 107 6.450 17.007 4.407 1.00 21.31 H new ATOM 0 HD13 LEU A 107 5.449 16.960 2.937 1.00 21.31 H new ATOM 0 HD21 LEU A 107 3.149 18.602 4.141 1.00 21.21 H new ATOM 0 HD22 LEU A 107 2.933 17.135 3.156 1.00 21.21 H new ATOM 0 HD23 LEU A 107 2.212 17.230 4.780 1.00 21.21 H new ATOM 1574 N ASN A 108 1.572 13.945 4.393 1.00 63.42 N ATOM 1575 CA ASN A 108 0.214 13.856 3.839 1.00 25.23 C ATOM 1576 C ASN A 108 -0.731 13.225 4.871 1.00 41.13 C ATOM 1577 O ASN A 108 -1.902 13.572 4.950 1.00 0.24 O ATOM 1578 CB ASN A 108 0.232 13.002 2.562 1.00 14.14 C ATOM 1579 CG ASN A 108 -0.871 13.330 1.577 1.00 35.44 C ATOM 1580 OD1 ASN A 108 -1.955 13.770 1.939 1.00 72.30 O ATOM 1581 ND2 ASN A 108 -0.578 13.173 0.318 1.00 11.03 N ATOM 0 H ASN A 108 2.245 13.326 3.942 1.00 63.42 H new ATOM 0 HA ASN A 108 -0.140 14.858 3.598 1.00 25.23 H new ATOM 0 HB2 ASN A 108 1.195 13.130 2.067 1.00 14.14 H new ATOM 0 HB3 ASN A 108 0.154 11.951 2.841 1.00 14.14 H new ATOM 0 HD21 ASN A 108 -1.260 13.419 -0.399 1.00 11.03 H new ATOM 0 HD22 ASN A 108 0.334 12.804 0.049 1.00 11.03 H new ATOM 1588 N GLY A 109 -0.195 12.319 5.674 1.00 4.31 N ATOM 1589 CA GLY A 109 -0.981 11.667 6.703 1.00 13.05 C ATOM 1590 C GLY A 109 -1.183 10.194 6.422 1.00 22.13 C ATOM 1591 O GLY A 109 -1.502 9.815 5.304 1.00 24.21 O ATOM 0 H GLY A 109 0.779 12.021 5.631 1.00 4.31 H new ATOM 0 HA2 GLY A 109 -0.485 11.787 7.666 1.00 13.05 H new ATOM 0 HA3 GLY A 109 -1.952 12.157 6.781 1.00 13.05 H new ATOM 1595 N THR A 110 -0.943 9.375 7.410 1.00 52.33 N ATOM 1596 CA THR A 110 -1.154 7.948 7.329 1.00 54.10 C ATOM 1597 C THR A 110 -2.352 7.555 8.189 1.00 12.55 C ATOM 1598 O THR A 110 -2.418 7.889 9.377 1.00 43.31 O ATOM 1599 CB THR A 110 0.130 7.189 7.769 1.00 3.35 C ATOM 1600 OG1 THR A 110 0.786 7.940 8.799 1.00 53.22 O ATOM 1601 CG2 THR A 110 1.072 6.991 6.594 1.00 35.11 C ATOM 0 H THR A 110 -0.588 9.684 8.315 1.00 52.33 H new ATOM 0 HA THR A 110 -1.368 7.671 6.297 1.00 54.10 H new ATOM 0 HB THR A 110 -0.151 6.206 8.146 1.00 3.35 H new ATOM 0 HG1 THR A 110 0.363 7.750 9.662 1.00 53.22 H new ATOM 0 HG21 THR A 110 1.962 6.458 6.927 1.00 35.11 H new ATOM 0 HG22 THR A 110 0.570 6.411 5.819 1.00 35.11 H new ATOM 0 HG23 THR A 110 1.360 7.962 6.191 1.00 35.11 H new ATOM 1609 N TYR A 111 -3.336 6.942 7.575 1.00 35.22 N ATOM 1610 CA TYR A 111 -4.500 6.505 8.297 1.00 12.23 C ATOM 1611 C TYR A 111 -4.677 5.021 8.074 1.00 33.24 C ATOM 1612 O TYR A 111 -4.668 4.562 6.942 1.00 51.24 O ATOM 1613 CB TYR A 111 -5.765 7.210 7.765 1.00 41.13 C ATOM 1614 CG TYR A 111 -5.716 8.727 7.713 1.00 40.12 C ATOM 1615 CD1 TYR A 111 -5.083 9.382 6.663 1.00 13.04 C ATOM 1616 CD2 TYR A 111 -6.317 9.499 8.692 1.00 34.44 C ATOM 1617 CE1 TYR A 111 -5.047 10.750 6.594 1.00 5.11 C ATOM 1618 CE2 TYR A 111 -6.283 10.879 8.629 1.00 24.31 C ATOM 1619 CZ TYR A 111 -5.644 11.495 7.573 1.00 14.12 C ATOM 1620 OH TYR A 111 -5.613 12.866 7.495 1.00 11.41 O ATOM 0 H TYR A 111 -3.351 6.736 6.576 1.00 35.22 H new ATOM 0 HA TYR A 111 -4.365 6.740 9.353 1.00 12.23 H new ATOM 0 HB2 TYR A 111 -5.967 6.839 6.760 1.00 41.13 H new ATOM 0 HB3 TYR A 111 -6.609 6.916 8.389 1.00 41.13 H new ATOM 0 HD1 TYR A 111 -4.610 8.801 5.886 1.00 13.04 H new ATOM 0 HD2 TYR A 111 -6.820 9.016 9.517 1.00 34.44 H new ATOM 0 HE1 TYR A 111 -4.549 11.238 5.769 1.00 5.11 H new ATOM 0 HE2 TYR A 111 -6.753 11.471 9.401 1.00 24.31 H new ATOM 0 HH TYR A 111 -6.082 13.248 8.266 1.00 11.41 H new ATOM 1630 N VAL A 112 -4.909 4.300 9.126 1.00 21.43 N ATOM 1631 CA VAL A 112 -5.150 2.879 9.058 1.00 44.33 C ATOM 1632 C VAL A 112 -6.510 2.656 9.664 1.00 21.41 C ATOM 1633 O VAL A 112 -6.726 3.000 10.844 1.00 31.13 O ATOM 1634 CB VAL A 112 -4.089 2.065 9.848 1.00 62.42 C ATOM 1635 CG1 VAL A 112 -4.318 0.566 9.683 1.00 64.22 C ATOM 1636 CG2 VAL A 112 -2.672 2.442 9.426 1.00 20.01 C ATOM 0 H VAL A 112 -4.938 4.680 10.072 1.00 21.43 H new ATOM 0 HA VAL A 112 -5.093 2.541 8.023 1.00 44.33 H new ATOM 0 HB VAL A 112 -4.202 2.315 10.903 1.00 62.42 H new ATOM 0 HG11 VAL A 112 -3.562 0.018 10.246 1.00 64.22 H new ATOM 0 HG12 VAL A 112 -5.308 0.306 10.057 1.00 64.22 H new ATOM 0 HG13 VAL A 112 -4.248 0.301 8.628 1.00 64.22 H new ATOM 0 HG21 VAL A 112 -1.954 1.854 9.998 1.00 20.01 H new ATOM 0 HG22 VAL A 112 -2.543 2.239 8.363 1.00 20.01 H new ATOM 0 HG23 VAL A 112 -2.506 3.502 9.616 1.00 20.01 H new ATOM 1646 N ASN A 113 -7.445 2.146 8.851 1.00 23.12 N ATOM 1647 CA ASN A 113 -8.871 2.011 9.231 1.00 54.33 C ATOM 1648 C ASN A 113 -9.467 3.406 9.382 1.00 45.22 C ATOM 1649 O ASN A 113 -10.456 3.611 10.089 1.00 33.31 O ATOM 1650 CB ASN A 113 -9.083 1.187 10.533 1.00 65.34 C ATOM 1651 CG ASN A 113 -8.664 -0.272 10.425 1.00 62.02 C ATOM 1652 OD1 ASN A 113 -7.524 -0.637 10.732 1.00 3.14 O ATOM 1653 ND2 ASN A 113 -9.571 -1.110 10.011 1.00 2.32 N ATOM 0 H ASN A 113 -7.241 1.813 7.909 1.00 23.12 H new ATOM 0 HA ASN A 113 -9.377 1.457 8.440 1.00 54.33 H new ATOM 0 HB2 ASN A 113 -8.521 1.655 11.341 1.00 65.34 H new ATOM 0 HB3 ASN A 113 -10.136 1.231 10.810 1.00 65.34 H new ATOM 0 HD21 ASN A 113 -9.350 -2.103 9.932 1.00 2.32 H new ATOM 0 HD22 ASN A 113 -10.502 -0.774 9.766 1.00 2.32 H new ATOM 1660 N ARG A 114 -8.827 4.362 8.673 1.00 5.31 N ATOM 1661 CA ARG A 114 -9.159 5.801 8.659 1.00 61.53 C ATOM 1662 C ARG A 114 -8.700 6.528 9.923 1.00 53.25 C ATOM 1663 O ARG A 114 -8.911 7.727 10.070 1.00 41.01 O ATOM 1664 CB ARG A 114 -10.636 6.081 8.358 1.00 33.01 C ATOM 1665 CG ARG A 114 -11.074 5.634 6.982 1.00 63.15 C ATOM 1666 CD ARG A 114 -12.513 5.995 6.731 1.00 2.41 C ATOM 1667 NE ARG A 114 -12.942 5.639 5.384 1.00 50.53 N ATOM 1668 CZ ARG A 114 -14.204 5.466 5.013 1.00 22.32 C ATOM 1669 NH1 ARG A 114 -15.186 5.598 5.897 1.00 0.33 N ATOM 1670 NH2 ARG A 114 -14.484 5.177 3.760 1.00 53.33 N ATOM 0 H ARG A 114 -8.033 4.142 8.071 1.00 5.31 H new ATOM 0 HA ARG A 114 -8.589 6.212 7.826 1.00 61.53 H new ATOM 0 HB2 ARG A 114 -11.251 5.580 9.105 1.00 33.01 H new ATOM 0 HB3 ARG A 114 -10.821 7.150 8.458 1.00 33.01 H new ATOM 0 HG2 ARG A 114 -10.441 6.099 6.226 1.00 63.15 H new ATOM 0 HG3 ARG A 114 -10.944 4.556 6.887 1.00 63.15 H new ATOM 0 HD2 ARG A 114 -13.146 5.487 7.458 1.00 2.41 H new ATOM 0 HD3 ARG A 114 -12.649 7.066 6.883 1.00 2.41 H new ATOM 0 HE ARG A 114 -12.219 5.514 4.675 1.00 50.53 H new ATOM 0 HH11 ARG A 114 -14.972 5.833 6.866 1.00 0.33 H new ATOM 0 HH12 ARG A 114 -16.155 5.464 5.607 1.00 0.33 H new ATOM 0 HH21 ARG A 114 -13.732 5.087 3.077 1.00 53.33 H new ATOM 0 HH22 ARG A 114 -15.453 5.043 3.472 1.00 53.33 H new ATOM 1684 N GLU A 115 -8.039 5.815 10.803 1.00 14.43 N ATOM 1685 CA GLU A 115 -7.521 6.394 12.024 1.00 14.20 C ATOM 1686 C GLU A 115 -6.003 6.567 11.893 1.00 72.33 C ATOM 1687 O GLU A 115 -5.318 5.622 11.495 1.00 70.33 O ATOM 1688 CB GLU A 115 -7.798 5.467 13.216 1.00 64.22 C ATOM 1689 CG GLU A 115 -9.262 5.126 13.457 1.00 53.31 C ATOM 1690 CD GLU A 115 -10.126 6.331 13.751 1.00 40.21 C ATOM 1691 OE1 GLU A 115 -9.901 7.014 14.780 1.00 32.20 O ATOM 1692 OE2 GLU A 115 -11.060 6.606 12.970 1.00 2.44 O ATOM 0 H GLU A 115 -7.844 4.820 10.696 1.00 14.43 H new ATOM 0 HA GLU A 115 -8.008 7.355 12.189 1.00 14.20 H new ATOM 0 HB2 GLU A 115 -7.247 4.538 13.067 1.00 64.22 H new ATOM 0 HB3 GLU A 115 -7.399 5.934 14.117 1.00 64.22 H new ATOM 0 HG2 GLU A 115 -9.656 4.613 12.579 1.00 53.31 H new ATOM 0 HG3 GLU A 115 -9.331 4.428 14.292 1.00 53.31 H new ATOM 1699 N PRO A 116 -5.457 7.757 12.185 1.00 15.31 N ATOM 1700 CA PRO A 116 -4.003 7.969 12.191 1.00 60.00 C ATOM 1701 C PRO A 116 -3.403 7.255 13.406 1.00 4.30 C ATOM 1702 O PRO A 116 -3.833 7.494 14.552 1.00 31.23 O ATOM 1703 CB PRO A 116 -3.848 9.495 12.334 1.00 35.12 C ATOM 1704 CG PRO A 116 -5.219 10.067 12.167 1.00 3.21 C ATOM 1705 CD PRO A 116 -6.186 8.982 12.537 1.00 44.20 C ATOM 0 HA PRO A 116 -3.502 7.586 11.302 1.00 60.00 H new ATOM 0 HB2 PRO A 116 -3.433 9.755 13.308 1.00 35.12 H new ATOM 0 HB3 PRO A 116 -3.166 9.890 11.581 1.00 35.12 H new ATOM 0 HG2 PRO A 116 -5.354 10.940 12.805 1.00 3.21 H new ATOM 0 HG3 PRO A 116 -5.379 10.395 11.140 1.00 3.21 H new ATOM 0 HD2 PRO A 116 -6.439 9.011 13.597 1.00 44.20 H new ATOM 0 HD3 PRO A 116 -7.121 9.069 11.984 1.00 44.20 H new ATOM 1713 N ARG A 117 -2.444 6.388 13.192 1.00 64.32 N ATOM 1714 CA ARG A 117 -1.942 5.555 14.275 1.00 12.14 C ATOM 1715 C ARG A 117 -0.455 5.793 14.511 1.00 64.40 C ATOM 1716 O ARG A 117 0.061 6.885 14.223 1.00 52.14 O ATOM 1717 CB ARG A 117 -2.228 4.084 13.949 1.00 45.44 C ATOM 1718 CG ARG A 117 -3.699 3.816 13.683 1.00 3.14 C ATOM 1719 CD ARG A 117 -3.985 2.352 13.514 1.00 40.14 C ATOM 1720 NE ARG A 117 -5.415 2.098 13.284 1.00 73.21 N ATOM 1721 CZ ARG A 117 -6.186 1.282 14.032 1.00 62.25 C ATOM 1722 NH1 ARG A 117 -5.704 0.723 15.142 1.00 14.13 N ATOM 1723 NH2 ARG A 117 -7.441 1.067 13.683 1.00 24.52 N ATOM 0 H ARG A 117 -1.994 6.236 12.289 1.00 64.32 H new ATOM 0 HA ARG A 117 -2.454 5.821 15.200 1.00 12.14 H new ATOM 0 HB2 ARG A 117 -1.646 3.790 13.075 1.00 45.44 H new ATOM 0 HB3 ARG A 117 -1.894 3.461 14.779 1.00 45.44 H new ATOM 0 HG2 ARG A 117 -4.293 4.208 14.508 1.00 3.14 H new ATOM 0 HG3 ARG A 117 -4.008 4.351 12.785 1.00 3.14 H new ATOM 0 HD2 ARG A 117 -3.407 1.963 12.675 1.00 40.14 H new ATOM 0 HD3 ARG A 117 -3.658 1.813 14.403 1.00 40.14 H new ATOM 0 HE ARG A 117 -5.858 2.575 12.499 1.00 73.21 H new ATOM 0 HH11 ARG A 117 -4.744 0.911 15.432 1.00 14.13 H new ATOM 0 HH12 ARG A 117 -6.295 0.107 15.701 1.00 14.13 H new ATOM 0 HH21 ARG A 117 -7.823 1.517 12.851 1.00 24.52 H new ATOM 0 HH22 ARG A 117 -8.028 0.451 14.245 1.00 24.52 H new ATOM 1737 N ASN A 118 0.201 4.841 15.130 1.00 63.34 N ATOM 1738 CA ASN A 118 1.637 4.911 15.306 1.00 63.14 C ATOM 1739 C ASN A 118 2.252 3.683 14.659 1.00 71.35 C ATOM 1740 O ASN A 118 3.247 3.770 13.952 1.00 61.40 O ATOM 1741 CB ASN A 118 2.014 5.030 16.792 1.00 34.01 C ATOM 1742 CG ASN A 118 3.503 5.247 17.016 1.00 32.14 C ATOM 1743 OD1 ASN A 118 3.984 6.380 16.995 1.00 64.51 O ATOM 1744 ND2 ASN A 118 4.225 4.201 17.295 1.00 4.33 N ATOM 0 H ASN A 118 -0.235 4.006 15.522 1.00 63.34 H new ATOM 0 HA ASN A 118 2.029 5.807 14.825 1.00 63.14 H new ATOM 0 HB2 ASN A 118 1.462 5.859 17.235 1.00 34.01 H new ATOM 0 HB3 ASN A 118 1.703 4.125 17.313 1.00 34.01 H new ATOM 0 HD21 ASN A 118 5.218 4.307 17.504 1.00 4.33 H new ATOM 0 HD22 ASN A 118 3.798 3.275 17.305 1.00 4.33 H new ATOM 1751 N ALA A 119 1.648 2.535 14.924 1.00 60.20 N ATOM 1752 CA ALA A 119 1.983 1.292 14.259 1.00 4.34 C ATOM 1753 C ALA A 119 0.781 0.391 14.363 1.00 22.34 C ATOM 1754 O ALA A 119 0.109 0.381 15.402 1.00 53.03 O ATOM 1755 CB ALA A 119 3.194 0.629 14.907 1.00 25.24 C ATOM 0 H ALA A 119 0.904 2.442 15.615 1.00 60.20 H new ATOM 0 HA ALA A 119 2.240 1.484 13.217 1.00 4.34 H new ATOM 0 HB1 ALA A 119 3.421 -0.301 14.387 1.00 25.24 H new ATOM 0 HB2 ALA A 119 4.052 1.298 14.845 1.00 25.24 H new ATOM 0 HB3 ALA A 119 2.975 0.415 15.953 1.00 25.24 H new ATOM 1761 N GLN A 120 0.468 -0.305 13.313 1.00 31.53 N ATOM 1762 CA GLN A 120 -0.657 -1.204 13.308 1.00 51.23 C ATOM 1763 C GLN A 120 -0.327 -2.462 12.524 1.00 74.44 C ATOM 1764 O GLN A 120 0.486 -2.421 11.602 1.00 61.43 O ATOM 1765 CB GLN A 120 -1.909 -0.513 12.740 1.00 15.51 C ATOM 1766 CG GLN A 120 -3.197 -1.319 12.910 1.00 31.43 C ATOM 1767 CD GLN A 120 -3.506 -1.622 14.373 1.00 51.43 C ATOM 1768 OE1 GLN A 120 -3.165 -0.849 15.273 1.00 10.33 O ATOM 1769 NE2 GLN A 120 -4.129 -2.738 14.622 1.00 64.25 N ATOM 0 H GLN A 120 0.982 -0.269 12.433 1.00 31.53 H new ATOM 0 HA GLN A 120 -0.873 -1.490 14.337 1.00 51.23 H new ATOM 0 HB2 GLN A 120 -2.031 0.454 13.229 1.00 15.51 H new ATOM 0 HB3 GLN A 120 -1.753 -0.317 11.679 1.00 15.51 H new ATOM 0 HG2 GLN A 120 -4.029 -0.766 12.473 1.00 31.43 H new ATOM 0 HG3 GLN A 120 -3.112 -2.255 12.358 1.00 31.43 H new ATOM 0 HE21 GLN A 120 -4.397 -3.355 13.855 1.00 64.25 H new ATOM 0 HE22 GLN A 120 -4.349 -2.996 15.584 1.00 64.25 H new ATOM 1778 N VAL A 121 -0.932 -3.562 12.880 1.00 51.34 N ATOM 1779 CA VAL A 121 -0.775 -4.770 12.112 1.00 33.32 C ATOM 1780 C VAL A 121 -1.684 -4.652 10.893 1.00 12.50 C ATOM 1781 O VAL A 121 -2.866 -4.313 11.020 1.00 53.41 O ATOM 1782 CB VAL A 121 -1.145 -6.027 12.949 1.00 3.35 C ATOM 1783 CG1 VAL A 121 -1.113 -7.298 12.100 1.00 71.24 C ATOM 1784 CG2 VAL A 121 -0.195 -6.162 14.122 1.00 41.22 C ATOM 0 H VAL A 121 -1.538 -3.649 13.696 1.00 51.34 H new ATOM 0 HA VAL A 121 0.266 -4.889 11.811 1.00 33.32 H new ATOM 0 HB VAL A 121 -2.163 -5.898 13.316 1.00 3.35 H new ATOM 0 HG11 VAL A 121 -1.377 -8.156 12.719 1.00 71.24 H new ATOM 0 HG12 VAL A 121 -1.828 -7.207 11.282 1.00 71.24 H new ATOM 0 HG13 VAL A 121 -0.112 -7.439 11.693 1.00 71.24 H new ATOM 0 HG21 VAL A 121 -0.459 -7.044 14.705 1.00 41.22 H new ATOM 0 HG22 VAL A 121 0.826 -6.263 13.754 1.00 41.22 H new ATOM 0 HG23 VAL A 121 -0.267 -5.276 14.753 1.00 41.22 H new ATOM 1794 N MET A 122 -1.111 -4.869 9.730 1.00 41.03 N ATOM 1795 CA MET A 122 -1.808 -4.715 8.474 1.00 31.01 C ATOM 1796 C MET A 122 -2.794 -5.830 8.316 1.00 60.21 C ATOM 1797 O MET A 122 -2.421 -7.010 8.316 1.00 42.32 O ATOM 1798 CB MET A 122 -0.833 -4.709 7.291 1.00 1.34 C ATOM 1799 CG MET A 122 0.247 -3.658 7.390 1.00 53.44 C ATOM 1800 SD MET A 122 1.361 -3.609 5.972 1.00 34.33 S ATOM 1801 CE MET A 122 0.260 -3.030 4.690 1.00 40.12 C ATOM 0 H MET A 122 -0.139 -5.160 9.629 1.00 41.03 H new ATOM 0 HA MET A 122 -2.328 -3.757 8.483 1.00 31.01 H new ATOM 0 HB2 MET A 122 -0.365 -5.690 7.215 1.00 1.34 H new ATOM 0 HB3 MET A 122 -1.395 -4.552 6.371 1.00 1.34 H new ATOM 0 HG2 MET A 122 -0.222 -2.681 7.504 1.00 53.44 H new ATOM 0 HG3 MET A 122 0.832 -3.838 8.292 1.00 53.44 H new ATOM 0 HE1 MET A 122 0.797 -2.983 3.743 1.00 40.12 H new ATOM 0 HE2 MET A 122 -0.582 -3.716 4.596 1.00 40.12 H new ATOM 0 HE3 MET A 122 -0.108 -2.037 4.948 1.00 40.12 H new ATOM 1811 N GLN A 123 -4.035 -5.476 8.200 1.00 52.14 N ATOM 1812 CA GLN A 123 -5.058 -6.449 8.100 1.00 21.30 C ATOM 1813 C GLN A 123 -5.532 -6.495 6.668 1.00 62.23 C ATOM 1814 O GLN A 123 -5.829 -5.451 6.071 1.00 55.10 O ATOM 1815 CB GLN A 123 -6.207 -6.099 9.039 1.00 52.35 C ATOM 1816 CG GLN A 123 -6.858 -7.319 9.642 1.00 21.31 C ATOM 1817 CD GLN A 123 -5.875 -8.093 10.518 1.00 52.12 C ATOM 1818 OE1 GLN A 123 -4.973 -7.512 11.126 1.00 34.45 O ATOM 1819 NE2 GLN A 123 -6.019 -9.382 10.573 1.00 3.15 N ATOM 0 H GLN A 123 -4.359 -4.509 8.173 1.00 52.14 H new ATOM 0 HA GLN A 123 -4.677 -7.428 8.390 1.00 21.30 H new ATOM 0 HB2 GLN A 123 -5.835 -5.458 9.838 1.00 52.35 H new ATOM 0 HB3 GLN A 123 -6.956 -5.525 8.493 1.00 52.35 H new ATOM 0 HG2 GLN A 123 -7.720 -7.018 10.237 1.00 21.31 H new ATOM 0 HG3 GLN A 123 -7.229 -7.967 8.848 1.00 21.31 H new ATOM 0 HE21 GLN A 123 -6.775 -9.833 10.059 1.00 3.15 H new ATOM 0 HE22 GLN A 123 -5.376 -9.944 11.131 1.00 3.15 H new ATOM 1828 N THR A 124 -5.598 -7.670 6.118 1.00 2.32 N ATOM 1829 CA THR A 124 -5.977 -7.829 4.755 1.00 14.04 C ATOM 1830 C THR A 124 -7.478 -7.709 4.602 1.00 54.25 C ATOM 1831 O THR A 124 -8.246 -8.398 5.282 1.00 21.02 O ATOM 1832 CB THR A 124 -5.473 -9.177 4.221 1.00 71.35 C ATOM 1833 OG1 THR A 124 -5.805 -10.225 5.156 1.00 53.43 O ATOM 1834 CG2 THR A 124 -3.966 -9.141 4.023 1.00 55.31 C ATOM 0 H THR A 124 -5.390 -8.542 6.605 1.00 2.32 H new ATOM 0 HA THR A 124 -5.518 -7.034 4.167 1.00 14.04 H new ATOM 0 HB THR A 124 -5.953 -9.372 3.262 1.00 71.35 H new ATOM 0 HG1 THR A 124 -6.687 -10.048 5.546 1.00 53.43 H new ATOM 0 HG21 THR A 124 -3.626 -10.105 3.644 1.00 55.31 H new ATOM 0 HG22 THR A 124 -3.712 -8.359 3.307 1.00 55.31 H new ATOM 0 HG23 THR A 124 -3.479 -8.933 4.976 1.00 55.31 H new ATOM 1842 N GLY A 125 -7.884 -6.795 3.767 1.00 61.23 N ATOM 1843 CA GLY A 125 -9.263 -6.571 3.536 1.00 21.13 C ATOM 1844 C GLY A 125 -9.649 -5.143 3.804 1.00 23.51 C ATOM 1845 O GLY A 125 -10.691 -4.682 3.332 1.00 63.14 O ATOM 0 H GLY A 125 -7.260 -6.190 3.233 1.00 61.23 H new ATOM 0 HA2 GLY A 125 -9.505 -6.825 2.504 1.00 21.13 H new ATOM 0 HA3 GLY A 125 -9.850 -7.232 4.173 1.00 21.13 H new ATOM 1849 N ASP A 126 -8.811 -4.417 4.529 1.00 0.31 N ATOM 1850 CA ASP A 126 -9.159 -3.048 4.900 1.00 63.44 C ATOM 1851 C ASP A 126 -8.376 -2.028 4.044 1.00 41.03 C ATOM 1852 O ASP A 126 -7.705 -2.411 3.076 1.00 40.41 O ATOM 1853 CB ASP A 126 -8.959 -2.813 6.407 1.00 45.23 C ATOM 1854 CG ASP A 126 -9.799 -1.652 6.906 1.00 41.24 C ATOM 1855 OD1 ASP A 126 -10.986 -1.868 7.248 1.00 20.34 O ATOM 1856 OD2 ASP A 126 -9.321 -0.513 6.921 1.00 22.33 O ATOM 0 H ASP A 126 -7.905 -4.740 4.867 1.00 0.31 H new ATOM 0 HA ASP A 126 -10.218 -2.898 4.692 1.00 63.44 H new ATOM 0 HB2 ASP A 126 -9.224 -3.717 6.955 1.00 45.23 H new ATOM 0 HB3 ASP A 126 -7.906 -2.615 6.609 1.00 45.23 H new ATOM 1861 N GLU A 127 -8.431 -0.757 4.406 1.00 61.14 N ATOM 1862 CA GLU A 127 -7.892 0.295 3.579 1.00 21.05 C ATOM 1863 C GLU A 127 -7.107 1.337 4.402 1.00 54.04 C ATOM 1864 O GLU A 127 -7.543 1.787 5.484 1.00 54.31 O ATOM 1865 CB GLU A 127 -9.039 0.933 2.771 1.00 70.41 C ATOM 1866 CG GLU A 127 -8.642 2.071 1.848 1.00 75.12 C ATOM 1867 CD GLU A 127 -9.786 2.522 0.991 1.00 41.41 C ATOM 1868 OE1 GLU A 127 -10.811 2.957 1.532 1.00 14.02 O ATOM 1869 OE2 GLU A 127 -9.689 2.460 -0.247 1.00 12.40 O ATOM 0 H GLU A 127 -8.849 -0.433 5.278 1.00 61.14 H new ATOM 0 HA GLU A 127 -7.168 -0.133 2.886 1.00 21.05 H new ATOM 0 HB2 GLU A 127 -9.515 0.155 2.174 1.00 70.41 H new ATOM 0 HB3 GLU A 127 -9.790 1.302 3.470 1.00 70.41 H new ATOM 0 HG2 GLU A 127 -8.281 2.911 2.442 1.00 75.12 H new ATOM 0 HG3 GLU A 127 -7.816 1.751 1.212 1.00 75.12 H new ATOM 1876 N ILE A 128 -5.970 1.705 3.867 1.00 23.30 N ATOM 1877 CA ILE A 128 -5.042 2.647 4.442 1.00 52.23 C ATOM 1878 C ILE A 128 -5.067 3.915 3.586 1.00 2.22 C ATOM 1879 O ILE A 128 -5.002 3.850 2.366 1.00 64.11 O ATOM 1880 CB ILE A 128 -3.595 2.049 4.463 1.00 11.34 C ATOM 1881 CG1 ILE A 128 -3.565 0.762 5.311 1.00 33.44 C ATOM 1882 CG2 ILE A 128 -2.571 3.071 4.981 1.00 60.34 C ATOM 1883 CD1 ILE A 128 -2.219 0.061 5.341 1.00 12.53 C ATOM 0 H ILE A 128 -5.650 1.336 2.972 1.00 23.30 H new ATOM 0 HA ILE A 128 -5.329 2.871 5.469 1.00 52.23 H new ATOM 0 HB ILE A 128 -3.316 1.800 3.439 1.00 11.34 H new ATOM 0 HG12 ILE A 128 -3.856 1.008 6.332 1.00 33.44 H new ATOM 0 HG13 ILE A 128 -4.313 0.070 4.925 1.00 33.44 H new ATOM 0 HG21 ILE A 128 -1.578 2.622 4.982 1.00 60.34 H new ATOM 0 HG22 ILE A 128 -2.572 3.948 4.333 1.00 60.34 H new ATOM 0 HG23 ILE A 128 -2.836 3.369 5.996 1.00 60.34 H new ATOM 0 HD11 ILE A 128 -2.288 -0.834 5.960 1.00 12.53 H new ATOM 0 HD12 ILE A 128 -1.932 -0.220 4.328 1.00 12.53 H new ATOM 0 HD13 ILE A 128 -1.468 0.733 5.757 1.00 12.53 H new ATOM 1895 N GLN A 129 -5.205 5.040 4.201 1.00 2.21 N ATOM 1896 CA GLN A 129 -5.269 6.271 3.459 1.00 34.33 C ATOM 1897 C GLN A 129 -4.027 7.083 3.671 1.00 72.33 C ATOM 1898 O GLN A 129 -3.533 7.202 4.799 1.00 50.15 O ATOM 1899 CB GLN A 129 -6.489 7.111 3.827 1.00 3.01 C ATOM 1900 CG GLN A 129 -7.822 6.440 3.588 1.00 1.31 C ATOM 1901 CD GLN A 129 -8.974 7.361 3.904 1.00 3.41 C ATOM 1902 OE1 GLN A 129 -9.440 7.421 5.037 1.00 60.13 O ATOM 1903 NE2 GLN A 129 -9.450 8.077 2.919 1.00 62.43 N ATOM 0 H GLN A 129 -5.276 5.142 5.213 1.00 2.21 H new ATOM 0 HA GLN A 129 -5.355 5.994 2.408 1.00 34.33 H new ATOM 0 HB2 GLN A 129 -6.420 7.383 4.880 1.00 3.01 H new ATOM 0 HB3 GLN A 129 -6.458 8.039 3.256 1.00 3.01 H new ATOM 0 HG2 GLN A 129 -7.887 6.119 2.548 1.00 1.31 H new ATOM 0 HG3 GLN A 129 -7.894 5.543 4.203 1.00 1.31 H new ATOM 0 HE21 GLN A 129 -9.038 8.002 1.989 1.00 62.43 H new ATOM 0 HE22 GLN A 129 -10.233 8.710 3.081 1.00 62.43 H new ATOM 1912 N ILE A 130 -3.488 7.576 2.604 1.00 35.44 N ATOM 1913 CA ILE A 130 -2.413 8.500 2.683 1.00 53.32 C ATOM 1914 C ILE A 130 -2.970 9.850 2.303 1.00 33.53 C ATOM 1915 O ILE A 130 -3.153 10.177 1.124 1.00 33.45 O ATOM 1916 CB ILE A 130 -1.104 8.119 1.874 1.00 0.44 C ATOM 1917 CG1 ILE A 130 -1.327 7.832 0.350 1.00 13.44 C ATOM 1918 CG2 ILE A 130 -0.374 6.959 2.546 1.00 33.22 C ATOM 1919 CD1 ILE A 130 -2.051 6.530 -0.001 1.00 25.40 C ATOM 0 H ILE A 130 -3.783 7.347 1.655 1.00 35.44 H new ATOM 0 HA ILE A 130 -2.037 8.496 3.706 1.00 53.32 H new ATOM 0 HB ILE A 130 -0.481 9.013 1.902 1.00 0.44 H new ATOM 0 HG12 ILE A 130 -1.892 8.662 -0.074 1.00 13.44 H new ATOM 0 HG13 ILE A 130 -0.354 7.825 -0.142 1.00 13.44 H new ATOM 0 HG21 ILE A 130 0.521 6.713 1.975 1.00 33.22 H new ATOM 0 HG22 ILE A 130 -0.091 7.245 3.559 1.00 33.22 H new ATOM 0 HG23 ILE A 130 -1.030 6.089 2.584 1.00 33.22 H new ATOM 0 HD11 ILE A 130 -2.144 6.446 -1.084 1.00 25.40 H new ATOM 0 HD12 ILE A 130 -1.482 5.683 0.381 1.00 25.40 H new ATOM 0 HD13 ILE A 130 -3.044 6.533 0.449 1.00 25.40 H new ATOM 1931 N GLY A 131 -3.288 10.607 3.315 1.00 31.05 N ATOM 1932 CA GLY A 131 -4.005 11.827 3.133 1.00 41.22 C ATOM 1933 C GLY A 131 -5.419 11.504 2.740 1.00 4.42 C ATOM 1934 O GLY A 131 -6.155 10.881 3.502 1.00 14.53 O ATOM 0 H GLY A 131 -3.056 10.392 4.285 1.00 31.05 H new ATOM 0 HA2 GLY A 131 -3.993 12.412 4.052 1.00 41.22 H new ATOM 0 HA3 GLY A 131 -3.528 12.434 2.363 1.00 41.22 H new ATOM 1938 N LYS A 132 -5.790 11.878 1.548 1.00 52.24 N ATOM 1939 CA LYS A 132 -7.099 11.546 1.031 1.00 35.21 C ATOM 1940 C LYS A 132 -6.988 10.568 -0.114 1.00 11.20 C ATOM 1941 O LYS A 132 -7.994 10.160 -0.704 1.00 51.52 O ATOM 1942 CB LYS A 132 -7.872 12.801 0.635 1.00 51.14 C ATOM 1943 CG LYS A 132 -8.259 13.656 1.830 1.00 3.43 C ATOM 1944 CD LYS A 132 -9.338 12.982 2.678 1.00 43.12 C ATOM 1945 CE LYS A 132 -9.489 13.656 4.030 1.00 52.03 C ATOM 1946 NZ LYS A 132 -9.713 15.116 3.923 1.00 50.51 N ATOM 0 H LYS A 132 -5.205 12.416 0.909 1.00 52.24 H new ATOM 0 HA LYS A 132 -7.667 11.060 1.825 1.00 35.21 H new ATOM 0 HB2 LYS A 132 -7.266 13.395 -0.050 1.00 51.14 H new ATOM 0 HB3 LYS A 132 -8.773 12.512 0.094 1.00 51.14 H new ATOM 0 HG2 LYS A 132 -7.378 13.845 2.444 1.00 3.43 H new ATOM 0 HG3 LYS A 132 -8.620 14.625 1.484 1.00 3.43 H new ATOM 0 HD2 LYS A 132 -10.290 13.012 2.148 1.00 43.12 H new ATOM 0 HD3 LYS A 132 -9.086 11.931 2.821 1.00 43.12 H new ATOM 0 HE2 LYS A 132 -10.324 13.203 4.565 1.00 52.03 H new ATOM 0 HE3 LYS A 132 -8.593 13.473 4.624 1.00 52.03 H new ATOM 0 HZ1 LYS A 132 -9.993 15.493 4.851 1.00 50.51 H new ATOM 0 HZ2 LYS A 132 -8.836 15.580 3.611 1.00 50.51 H new ATOM 0 HZ3 LYS A 132 -10.468 15.302 3.232 1.00 50.51 H new ATOM 1960 N PHE A 133 -5.771 10.160 -0.406 1.00 42.14 N ATOM 1961 CA PHE A 133 -5.543 9.194 -1.446 1.00 50.03 C ATOM 1962 C PHE A 133 -5.707 7.835 -0.809 1.00 0.45 C ATOM 1963 O PHE A 133 -5.260 7.624 0.326 1.00 24.12 O ATOM 1964 CB PHE A 133 -4.154 9.371 -2.065 1.00 45.32 C ATOM 1965 CG PHE A 133 -3.883 10.790 -2.506 1.00 72.33 C ATOM 1966 CD1 PHE A 133 -4.769 11.455 -3.346 1.00 64.32 C ATOM 1967 CD2 PHE A 133 -2.759 11.466 -2.058 1.00 32.13 C ATOM 1968 CE1 PHE A 133 -4.535 12.762 -3.730 1.00 23.15 C ATOM 1969 CE2 PHE A 133 -2.523 12.774 -2.439 1.00 12.00 C ATOM 1970 CZ PHE A 133 -3.412 13.422 -3.274 1.00 3.11 C ATOM 0 H PHE A 133 -4.927 10.486 0.066 1.00 42.14 H new ATOM 0 HA PHE A 133 -6.251 9.318 -2.265 1.00 50.03 H new ATOM 0 HB2 PHE A 133 -3.398 9.071 -1.340 1.00 45.32 H new ATOM 0 HB3 PHE A 133 -4.056 8.705 -2.922 1.00 45.32 H new ATOM 0 HD1 PHE A 133 -5.651 10.944 -3.703 1.00 64.32 H new ATOM 0 HD2 PHE A 133 -2.060 10.966 -1.404 1.00 32.13 H new ATOM 0 HE1 PHE A 133 -5.230 13.266 -4.386 1.00 23.15 H new ATOM 0 HE2 PHE A 133 -1.643 13.289 -2.083 1.00 12.00 H new ATOM 0 HZ PHE A 133 -3.229 14.444 -3.570 1.00 3.11 H new ATOM 1980 N ARG A 134 -6.316 6.918 -1.498 1.00 55.03 N ATOM 1981 CA ARG A 134 -6.721 5.692 -0.836 1.00 64.11 C ATOM 1982 C ARG A 134 -6.038 4.448 -1.376 1.00 24.21 C ATOM 1983 O ARG A 134 -5.965 4.219 -2.601 1.00 74.54 O ATOM 1984 CB ARG A 134 -8.250 5.572 -0.806 1.00 74.35 C ATOM 1985 CG ARG A 134 -8.894 5.563 -2.170 1.00 45.53 C ATOM 1986 CD ARG A 134 -10.406 5.651 -2.091 1.00 14.04 C ATOM 1987 NE ARG A 134 -11.010 4.531 -1.367 1.00 52.13 N ATOM 1988 CZ ARG A 134 -12.321 4.322 -1.245 1.00 25.05 C ATOM 1989 NH1 ARG A 134 -13.193 5.124 -1.851 1.00 71.53 N ATOM 1990 NH2 ARG A 134 -12.748 3.324 -0.503 1.00 53.20 N ATOM 0 H ARG A 134 -6.543 6.980 -2.490 1.00 55.03 H new ATOM 0 HA ARG A 134 -6.373 5.760 0.195 1.00 64.11 H new ATOM 0 HB2 ARG A 134 -8.522 4.656 -0.282 1.00 74.35 H new ATOM 0 HB3 ARG A 134 -8.658 6.402 -0.229 1.00 74.35 H new ATOM 0 HG2 ARG A 134 -8.513 6.400 -2.755 1.00 45.53 H new ATOM 0 HG3 ARG A 134 -8.612 4.651 -2.697 1.00 45.53 H new ATOM 0 HD2 ARG A 134 -10.684 6.584 -1.602 1.00 14.04 H new ATOM 0 HD3 ARG A 134 -10.815 5.686 -3.101 1.00 14.04 H new ATOM 0 HE ARG A 134 -10.381 3.861 -0.923 1.00 52.13 H new ATOM 0 HH11 ARG A 134 -12.860 5.906 -2.415 1.00 71.53 H new ATOM 0 HH12 ARG A 134 -14.194 4.956 -1.752 1.00 71.53 H new ATOM 0 HH21 ARG A 134 -12.078 2.719 -0.028 1.00 53.20 H new ATOM 0 HH22 ARG A 134 -13.749 3.155 -0.403 1.00 53.20 H new ATOM 2004 N LEU A 135 -5.540 3.669 -0.450 1.00 11.20 N ATOM 2005 CA LEU A 135 -4.809 2.461 -0.699 1.00 0.40 C ATOM 2006 C LEU A 135 -5.516 1.305 0.009 1.00 35.33 C ATOM 2007 O LEU A 135 -5.657 1.322 1.212 1.00 14.21 O ATOM 2008 CB LEU A 135 -3.417 2.636 -0.090 1.00 61.32 C ATOM 2009 CG LEU A 135 -2.473 1.456 -0.169 1.00 74.42 C ATOM 2010 CD1 LEU A 135 -2.000 1.262 -1.588 1.00 15.52 C ATOM 2011 CD2 LEU A 135 -1.308 1.661 0.787 1.00 30.33 C ATOM 0 H LEU A 135 -5.640 3.873 0.544 1.00 11.20 H new ATOM 0 HA LEU A 135 -4.745 2.254 -1.767 1.00 0.40 H new ATOM 0 HB2 LEU A 135 -2.939 3.484 -0.579 1.00 61.32 H new ATOM 0 HB3 LEU A 135 -3.539 2.901 0.960 1.00 61.32 H new ATOM 0 HG LEU A 135 -2.999 0.549 0.131 1.00 74.42 H new ATOM 0 HD11 LEU A 135 -1.321 0.410 -1.632 1.00 15.52 H new ATOM 0 HD12 LEU A 135 -2.857 1.077 -2.235 1.00 15.52 H new ATOM 0 HD13 LEU A 135 -1.479 2.159 -1.924 1.00 15.52 H new ATOM 0 HD21 LEU A 135 -0.632 0.808 0.725 1.00 30.33 H new ATOM 0 HD22 LEU A 135 -0.771 2.570 0.516 1.00 30.33 H new ATOM 0 HD23 LEU A 135 -1.685 1.752 1.806 1.00 30.33 H new ATOM 2023 N VAL A 136 -5.917 0.312 -0.704 1.00 3.13 N ATOM 2024 CA VAL A 136 -6.612 -0.793 -0.087 1.00 22.31 C ATOM 2025 C VAL A 136 -5.676 -1.995 -0.032 1.00 31.41 C ATOM 2026 O VAL A 136 -4.932 -2.252 -0.968 1.00 60.13 O ATOM 2027 CB VAL A 136 -7.957 -1.115 -0.822 1.00 63.11 C ATOM 2028 CG1 VAL A 136 -7.741 -1.518 -2.270 1.00 20.11 C ATOM 2029 CG2 VAL A 136 -8.780 -2.157 -0.073 1.00 74.32 C ATOM 0 H VAL A 136 -5.783 0.230 -1.712 1.00 3.13 H new ATOM 0 HA VAL A 136 -6.892 -0.522 0.931 1.00 22.31 H new ATOM 0 HB VAL A 136 -8.532 -0.189 -0.831 1.00 63.11 H new ATOM 0 HG11 VAL A 136 -8.703 -1.731 -2.736 1.00 20.11 H new ATOM 0 HG12 VAL A 136 -7.251 -0.704 -2.805 1.00 20.11 H new ATOM 0 HG13 VAL A 136 -7.114 -2.408 -2.310 1.00 20.11 H new ATOM 0 HG21 VAL A 136 -9.704 -2.351 -0.617 1.00 74.32 H new ATOM 0 HG22 VAL A 136 -8.208 -3.081 0.011 1.00 74.32 H new ATOM 0 HG23 VAL A 136 -9.017 -1.785 0.924 1.00 74.32 H new ATOM 2039 N PHE A 137 -5.676 -2.686 1.068 1.00 70.01 N ATOM 2040 CA PHE A 137 -4.741 -3.758 1.281 1.00 2.23 C ATOM 2041 C PHE A 137 -5.471 -5.084 1.362 1.00 31.44 C ATOM 2042 O PHE A 137 -6.264 -5.303 2.269 1.00 22.55 O ATOM 2043 CB PHE A 137 -3.949 -3.468 2.563 1.00 62.40 C ATOM 2044 CG PHE A 137 -2.916 -4.492 2.921 1.00 24.51 C ATOM 2045 CD1 PHE A 137 -1.797 -4.671 2.131 1.00 53.41 C ATOM 2046 CD2 PHE A 137 -3.061 -5.265 4.057 1.00 21.33 C ATOM 2047 CE1 PHE A 137 -0.843 -5.604 2.468 1.00 25.11 C ATOM 2048 CE2 PHE A 137 -2.109 -6.196 4.401 1.00 51.25 C ATOM 2049 CZ PHE A 137 -0.999 -6.367 3.608 1.00 2.13 C ATOM 0 H PHE A 137 -6.320 -2.526 1.843 1.00 70.01 H new ATOM 0 HA PHE A 137 -4.046 -3.825 0.444 1.00 2.23 H new ATOM 0 HB2 PHE A 137 -3.457 -2.501 2.456 1.00 62.40 H new ATOM 0 HB3 PHE A 137 -4.651 -3.378 3.392 1.00 62.40 H new ATOM 0 HD1 PHE A 137 -1.670 -4.073 1.241 1.00 53.41 H new ATOM 0 HD2 PHE A 137 -3.932 -5.137 4.682 1.00 21.33 H new ATOM 0 HE1 PHE A 137 0.026 -5.739 1.842 1.00 25.11 H new ATOM 0 HE2 PHE A 137 -2.233 -6.792 5.293 1.00 51.25 H new ATOM 0 HZ PHE A 137 -0.250 -7.097 3.877 1.00 2.13 H new ATOM 2059 N LEU A 138 -5.208 -5.954 0.417 1.00 54.42 N ATOM 2060 CA LEU A 138 -5.866 -7.250 0.357 1.00 40.32 C ATOM 2061 C LEU A 138 -4.818 -8.339 0.410 1.00 3.10 C ATOM 2062 O LEU A 138 -3.633 -8.082 0.182 1.00 23.11 O ATOM 2063 CB LEU A 138 -6.702 -7.442 -0.941 1.00 34.44 C ATOM 2064 CG LEU A 138 -7.828 -6.436 -1.266 1.00 60.42 C ATOM 2065 CD1 LEU A 138 -8.762 -6.212 -0.089 1.00 71.25 C ATOM 2066 CD2 LEU A 138 -7.285 -5.130 -1.821 1.00 74.33 C ATOM 0 H LEU A 138 -4.536 -5.791 -0.332 1.00 54.42 H new ATOM 0 HA LEU A 138 -6.547 -7.303 1.206 1.00 40.32 H new ATOM 0 HB2 LEU A 138 -6.008 -7.441 -1.782 1.00 34.44 H new ATOM 0 HB3 LEU A 138 -7.150 -8.435 -0.899 1.00 34.44 H new ATOM 0 HG LEU A 138 -8.428 -6.889 -2.055 1.00 60.42 H new ATOM 0 HD11 LEU A 138 -9.535 -5.497 -0.369 1.00 71.25 H new ATOM 0 HD12 LEU A 138 -9.226 -7.157 0.192 1.00 71.25 H new ATOM 0 HD13 LEU A 138 -8.195 -5.821 0.756 1.00 71.25 H new ATOM 0 HD21 LEU A 138 -8.113 -4.454 -2.035 1.00 74.33 H new ATOM 0 HD22 LEU A 138 -6.621 -4.671 -1.088 1.00 74.33 H new ATOM 0 HD23 LEU A 138 -6.731 -5.327 -2.739 1.00 74.33 H new ATOM 2078 N ALA A 139 -5.238 -9.544 0.697 1.00 60.02 N ATOM 2079 CA ALA A 139 -4.338 -10.671 0.725 1.00 61.31 C ATOM 2080 C ALA A 139 -3.996 -11.080 -0.695 1.00 20.05 C ATOM 2081 O ALA A 139 -4.819 -10.943 -1.612 1.00 33.21 O ATOM 2082 CB ALA A 139 -4.941 -11.826 1.500 1.00 13.25 C ATOM 0 H ALA A 139 -6.207 -9.773 0.917 1.00 60.02 H new ATOM 0 HA ALA A 139 -3.420 -10.383 1.237 1.00 61.31 H new ATOM 0 HB1 ALA A 139 -4.243 -12.663 1.507 1.00 13.25 H new ATOM 0 HB2 ALA A 139 -5.141 -11.512 2.525 1.00 13.25 H new ATOM 0 HB3 ALA A 139 -5.873 -12.134 1.027 1.00 13.25 H new ATOM 2088 N GLY A 140 -2.804 -11.556 -0.888 1.00 62.23 N ATOM 2089 CA GLY A 140 -2.362 -11.893 -2.201 1.00 72.01 C ATOM 2090 C GLY A 140 -2.361 -13.378 -2.414 1.00 71.05 C ATOM 2091 O GLY A 140 -3.188 -14.088 -1.822 1.00 50.25 O ATOM 0 H GLY A 140 -2.120 -11.719 -0.149 1.00 62.23 H new ATOM 0 HA2 GLY A 140 -3.010 -11.419 -2.938 1.00 72.01 H new ATOM 0 HA3 GLY A 140 -1.358 -11.500 -2.360 1.00 72.01 H new ATOM 2095 N PRO A 141 -1.475 -13.882 -3.249 1.00 15.30 N ATOM 2096 CA PRO A 141 -1.381 -15.281 -3.516 1.00 12.42 C ATOM 2097 C PRO A 141 -0.317 -15.977 -2.658 1.00 62.51 C ATOM 2098 O PRO A 141 0.536 -15.324 -2.021 1.00 34.12 O ATOM 2099 CB PRO A 141 -0.974 -15.306 -4.990 1.00 50.45 C ATOM 2100 CG PRO A 141 -0.231 -14.019 -5.224 1.00 15.00 C ATOM 2101 CD PRO A 141 -0.495 -13.126 -4.038 1.00 23.23 C ATOM 0 HA PRO A 141 -2.307 -15.809 -3.291 1.00 12.42 H new ATOM 0 HB2 PRO A 141 -0.344 -16.168 -5.209 1.00 50.45 H new ATOM 0 HB3 PRO A 141 -1.848 -15.378 -5.637 1.00 50.45 H new ATOM 0 HG2 PRO A 141 0.837 -14.207 -5.333 1.00 15.00 H new ATOM 0 HG3 PRO A 141 -0.567 -13.543 -6.145 1.00 15.00 H new ATOM 0 HD2 PRO A 141 0.415 -12.934 -3.470 1.00 23.23 H new ATOM 0 HD3 PRO A 141 -0.889 -12.157 -4.345 1.00 23.23 H new