USER MOD reduce.3.24.130724 H: found=0, std=0, add=1108, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1108 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 53 ASN :FLIP amide:sc= -2.47 F(o=-2.6!,f=-1.7) USER MOD Set 1.2: A 103 TYR OH : rot -164:sc= 0.725 USER MOD Set 2.1: A 100 MET CE :methyl -142:sc= -3.63! (180deg=-7.58!) USER MOD Set 2.2: A 105 ASN : amide:sc= -1.73! K(o=-5.4!,f=-7.3) USER MOD Set 3.1: A 35 ASN : amide:sc= 1.79 K(o=2,f=-6.3!) USER MOD Set 3.2: A 48 TYR OH : rot 30:sc= 0.239 USER MOD Set 4.1: A 23 MET CE :methyl 164:sc= -0.0633 (180deg=-0.559) USER MOD Set 4.2: A 76 LYS NZ :NH3+ 155:sc= 1.17 (180deg=0.0725) USER MOD Set 4.3: A 126 THR OG1 : rot 180:sc=-0.00335 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.36 (180deg=-0.468!) USER MOD Single : A 3 SER OG : rot 39:sc= 0.697 USER MOD Single : A 4 SER OG : rot 61:sc= 0.0928 USER MOD Single : A 5 HIS : no HD1:sc= -0.013 X(o=-0.013,f=-0.013) USER MOD Single : A 6 HIS : no HD1:sc= -0.038 X(o=-0.038,f=-0.038) USER MOD Single : A 7 HIS : no HE2:sc= 0.208 K(o=0.21,f=-1.7) USER MOD Single : A 8 HIS : no HD1:sc= -0.0926 X(o=-0.093,f=-0.094) USER MOD Single : A 9 HIS : no HD1:sc= -0.0587 X(o=-0.059,f=-0.065) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.751 X(o=-0.75,f=-0.32) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.13) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.0831 F(o=-0.86,f=-0.083) USER MOD Single : A 30 SER OG : rot -60:sc= -2.76! USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 106:sc= -2.22! USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.0106 (180deg=-0.171) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 50 ASN : amide:sc= -2.59! C(o=-2.6!,f=-12!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.16 K(o=1.2,f=-2.5!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 174:sc= -0.134 (180deg=-0.2) USER MOD Single : A 77 THR OG1 : rot -166:sc= 1.26 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 154:sc= 1.14 (180deg=0.641) USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= 1.17 (180deg=0.5) USER MOD Single : A 95 MET CE :methyl 151:sc= -1.67 (180deg=-4.64!) USER MOD Single : A 106 MET CE :methyl -164:sc=-0.00131 (180deg=-0.551) USER MOD Single : A 111 SER OG : rot 99:sc= 0.499 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -170:sc= -0.239 USER MOD Single : A 117 MET CE :methyl 160:sc= -0.115 (180deg=-0.596) USER MOD Single : A 119 GLN : amide:sc= 0.638 K(o=0.64,f=-0.95) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.153) USER MOD Single : A 129 LYS NZ :NH3+ 150:sc= 0.972 (180deg=-1.49!) USER MOD Single : A 130 THR OG1 : rot 160:sc= -0.797 USER MOD Single : A 133 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.05) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -43.683 -32.973 20.797 1.00 73.32 N ATOM 2 CA MET A 1 -42.232 -32.747 21.056 1.00 2.34 C ATOM 3 C MET A 1 -41.855 -31.262 20.945 1.00 44.40 C ATOM 4 O MET A 1 -42.667 -30.432 20.533 1.00 14.12 O ATOM 5 CB MET A 1 -41.378 -33.582 20.086 1.00 41.05 C ATOM 6 CG MET A 1 -41.704 -33.353 18.615 1.00 15.11 C ATOM 7 SD MET A 1 -43.370 -33.895 18.187 1.00 13.42 S ATOM 8 CE MET A 1 -43.412 -33.526 16.432 1.00 71.23 C ATOM 0 H1 MET A 1 -44.020 -33.767 21.378 1.00 73.32 H new ATOM 0 H2 MET A 1 -44.217 -32.115 21.041 1.00 73.32 H new ATOM 0 H3 MET A 1 -43.826 -33.195 19.791 1.00 73.32 H new ATOM 0 HA MET A 1 -42.031 -33.065 22.079 1.00 2.34 H new ATOM 0 HB2 MET A 1 -40.326 -33.351 20.254 1.00 41.05 H new ATOM 0 HB3 MET A 1 -41.513 -34.639 20.317 1.00 41.05 H new ATOM 0 HG2 MET A 1 -41.599 -32.293 18.383 1.00 15.11 H new ATOM 0 HG3 MET A 1 -40.981 -33.887 17.998 1.00 15.11 H new ATOM 0 HE1 MET A 1 -44.383 -33.807 16.024 1.00 71.23 H new ATOM 0 HE2 MET A 1 -43.250 -32.459 16.281 1.00 71.23 H new ATOM 0 HE3 MET A 1 -42.628 -34.088 15.923 1.00 71.23 H new ATOM 20 N GLY A 2 -40.616 -30.936 21.316 1.00 31.42 N ATOM 21 CA GLY A 2 -40.145 -29.553 21.269 1.00 72.21 C ATOM 22 C GLY A 2 -38.781 -29.373 21.934 1.00 62.43 C ATOM 23 O GLY A 2 -38.699 -29.100 23.133 1.00 53.42 O ATOM 0 H GLY A 2 -39.925 -31.607 21.650 1.00 31.42 H new ATOM 0 HA2 GLY A 2 -40.084 -29.229 20.230 1.00 72.21 H new ATOM 0 HA3 GLY A 2 -40.873 -28.908 21.762 1.00 72.21 H new ATOM 27 N SER A 3 -37.711 -29.521 21.151 1.00 62.25 N ATOM 28 CA SER A 3 -36.334 -29.441 21.671 1.00 5.34 C ATOM 29 C SER A 3 -36.019 -28.055 22.253 1.00 34.34 C ATOM 30 O SER A 3 -35.846 -27.081 21.515 1.00 71.53 O ATOM 31 CB SER A 3 -35.322 -29.775 20.565 1.00 14.31 C ATOM 32 OG SER A 3 -35.433 -28.870 19.471 1.00 52.33 O ATOM 0 H SER A 3 -37.767 -29.698 20.148 1.00 62.25 H new ATOM 0 HA SER A 3 -36.253 -30.172 22.475 1.00 5.34 H new ATOM 0 HB2 SER A 3 -34.311 -29.736 20.971 1.00 14.31 H new ATOM 0 HB3 SER A 3 -35.486 -30.794 20.215 1.00 14.31 H new ATOM 0 HG SER A 3 -35.595 -27.965 19.810 1.00 52.33 H new ATOM 38 N SER A 4 -35.934 -27.978 23.578 1.00 53.34 N ATOM 39 CA SER A 4 -35.675 -26.710 24.275 1.00 1.12 C ATOM 40 C SER A 4 -34.310 -26.716 24.983 1.00 72.14 C ATOM 41 O SER A 4 -33.968 -27.670 25.682 1.00 53.41 O ATOM 42 CB SER A 4 -36.782 -26.438 25.308 1.00 31.34 C ATOM 43 OG SER A 4 -38.062 -26.366 24.698 1.00 0.11 O ATOM 0 H SER A 4 -36.041 -28.780 24.199 1.00 53.34 H new ATOM 0 HA SER A 4 -35.666 -25.921 23.523 1.00 1.12 H new ATOM 0 HB2 SER A 4 -36.781 -27.228 26.059 1.00 31.34 H new ATOM 0 HB3 SER A 4 -36.573 -25.503 25.828 1.00 31.34 H new ATOM 0 HG SER A 4 -38.266 -27.220 24.263 1.00 0.11 H new ATOM 49 N HIS A 5 -33.533 -25.649 24.795 1.00 4.12 N ATOM 50 CA HIS A 5 -32.247 -25.471 25.492 1.00 30.33 C ATOM 51 C HIS A 5 -31.927 -23.983 25.690 1.00 63.50 C ATOM 52 O HIS A 5 -32.445 -23.128 24.969 1.00 15.21 O ATOM 53 CB HIS A 5 -31.103 -26.158 24.726 1.00 35.02 C ATOM 54 CG HIS A 5 -30.990 -27.634 24.987 1.00 64.11 C ATOM 55 ND1 HIS A 5 -31.030 -28.587 23.992 1.00 12.02 N ATOM 56 CD2 HIS A 5 -30.802 -28.317 26.143 1.00 4.50 C ATOM 57 CE1 HIS A 5 -30.877 -29.783 24.520 1.00 10.43 C ATOM 58 NE2 HIS A 5 -30.734 -29.650 25.823 1.00 52.12 N ATOM 0 H HIS A 5 -33.770 -24.886 24.161 1.00 4.12 H new ATOM 0 HA HIS A 5 -32.339 -25.939 26.472 1.00 30.33 H new ATOM 0 HB2 HIS A 5 -31.248 -25.999 23.658 1.00 35.02 H new ATOM 0 HB3 HIS A 5 -30.161 -25.679 24.994 1.00 35.02 H new ATOM 0 HD2 HIS A 5 -30.721 -27.891 27.132 1.00 4.50 H new ATOM 0 HE1 HIS A 5 -30.870 -30.716 23.977 1.00 10.43 H new ATOM 0 HE2 HIS A 5 -30.595 -30.413 26.486 1.00 52.12 H new ATOM 67 N HIS A 6 -31.074 -23.679 26.668 1.00 22.22 N ATOM 68 CA HIS A 6 -30.684 -22.290 26.965 1.00 53.45 C ATOM 69 C HIS A 6 -29.197 -22.196 27.351 1.00 33.31 C ATOM 70 O HIS A 6 -28.739 -22.862 28.281 1.00 23.42 O ATOM 71 CB HIS A 6 -31.570 -21.716 28.080 1.00 2.23 C ATOM 72 CG HIS A 6 -32.992 -21.510 27.657 1.00 31.43 C ATOM 73 ND1 HIS A 6 -34.005 -22.395 27.957 1.00 42.42 N ATOM 74 CD2 HIS A 6 -33.570 -20.518 26.938 1.00 33.33 C ATOM 75 CE1 HIS A 6 -35.136 -21.959 27.443 1.00 12.10 C ATOM 76 NE2 HIS A 6 -34.901 -20.825 26.820 1.00 55.32 N ATOM 0 H HIS A 6 -30.636 -24.374 27.273 1.00 22.22 H new ATOM 0 HA HIS A 6 -30.829 -21.698 26.061 1.00 53.45 H new ATOM 0 HB2 HIS A 6 -31.547 -22.389 28.937 1.00 2.23 H new ATOM 0 HB3 HIS A 6 -31.155 -20.764 28.411 1.00 2.23 H new ATOM 0 HD2 HIS A 6 -33.075 -19.648 26.533 1.00 33.33 H new ATOM 0 HE1 HIS A 6 -36.095 -22.450 27.520 1.00 12.10 H new ATOM 0 HE2 HIS A 6 -35.597 -20.264 26.328 1.00 55.32 H new ATOM 85 N HIS A 7 -28.459 -21.338 26.645 1.00 71.22 N ATOM 86 CA HIS A 7 -26.999 -21.241 26.797 1.00 10.03 C ATOM 87 C HIS A 7 -26.501 -19.782 26.751 1.00 72.32 C ATOM 88 O HIS A 7 -26.883 -19.011 25.867 1.00 74.52 O ATOM 89 CB HIS A 7 -26.313 -22.061 25.694 1.00 35.34 C ATOM 90 CG HIS A 7 -26.948 -21.896 24.343 1.00 74.42 C ATOM 91 ND1 HIS A 7 -26.980 -20.697 23.665 1.00 22.25 N ATOM 92 CD2 HIS A 7 -27.594 -22.786 23.550 1.00 54.44 C ATOM 93 CE1 HIS A 7 -27.614 -20.856 22.521 1.00 14.24 C ATOM 94 NE2 HIS A 7 -27.998 -22.111 22.425 1.00 3.52 N ATOM 0 H HIS A 7 -28.848 -20.694 25.956 1.00 71.22 H new ATOM 0 HA HIS A 7 -26.742 -21.640 27.778 1.00 10.03 H new ATOM 0 HB2 HIS A 7 -25.265 -21.768 25.633 1.00 35.34 H new ATOM 0 HB3 HIS A 7 -26.333 -23.115 25.970 1.00 35.34 H new ATOM 0 HD1 HIS A 7 -26.575 -19.822 23.997 1.00 22.25 H new ATOM 0 HD2 HIS A 7 -27.760 -23.832 23.764 1.00 54.44 H new ATOM 0 HE1 HIS A 7 -27.789 -20.085 21.785 1.00 14.24 H new ATOM 103 N HIS A 8 -25.628 -19.422 27.696 1.00 71.43 N ATOM 104 CA HIS A 8 -25.047 -18.069 27.763 1.00 32.44 C ATOM 105 C HIS A 8 -23.729 -17.979 26.968 1.00 53.25 C ATOM 106 O HIS A 8 -23.226 -18.986 26.467 1.00 73.03 O ATOM 107 CB HIS A 8 -24.818 -17.657 29.229 1.00 71.25 C ATOM 108 CG HIS A 8 -23.915 -18.578 30.000 1.00 21.21 C ATOM 109 ND1 HIS A 8 -24.377 -19.543 30.872 1.00 22.13 N ATOM 110 CD2 HIS A 8 -22.563 -18.663 30.040 1.00 44.25 C ATOM 111 CE1 HIS A 8 -23.352 -20.177 31.409 1.00 22.44 C ATOM 112 NE2 HIS A 8 -22.241 -19.663 30.920 1.00 30.12 N ATOM 0 H HIS A 8 -25.304 -20.050 28.432 1.00 71.43 H new ATOM 0 HA HIS A 8 -25.757 -17.379 27.307 1.00 32.44 H new ATOM 0 HB2 HIS A 8 -24.395 -16.653 29.249 1.00 71.25 H new ATOM 0 HB3 HIS A 8 -25.783 -17.607 29.734 1.00 71.25 H new ATOM 0 HD2 HIS A 8 -21.867 -18.055 29.481 1.00 44.25 H new ATOM 0 HE1 HIS A 8 -23.413 -20.981 32.128 1.00 22.44 H new ATOM 0 HE2 HIS A 8 -21.295 -19.961 31.158 1.00 30.12 H new ATOM 121 N HIS A 9 -23.175 -16.769 26.850 1.00 75.22 N ATOM 122 CA HIS A 9 -21.915 -16.561 26.114 1.00 23.53 C ATOM 123 C HIS A 9 -21.016 -15.495 26.765 1.00 61.30 C ATOM 124 O HIS A 9 -21.492 -14.482 27.276 1.00 73.41 O ATOM 125 CB HIS A 9 -22.202 -16.142 24.665 1.00 72.13 C ATOM 126 CG HIS A 9 -22.886 -17.193 23.845 1.00 2.45 C ATOM 127 ND1 HIS A 9 -24.221 -17.140 23.512 1.00 34.44 N ATOM 128 CD2 HIS A 9 -22.404 -18.319 23.271 1.00 13.15 C ATOM 129 CE1 HIS A 9 -24.530 -18.183 22.774 1.00 2.34 C ATOM 130 NE2 HIS A 9 -23.449 -18.917 22.609 1.00 1.43 N ATOM 0 H HIS A 9 -23.573 -15.920 27.251 1.00 75.22 H new ATOM 0 HA HIS A 9 -21.386 -17.514 26.139 1.00 23.53 H new ATOM 0 HB2 HIS A 9 -22.821 -15.245 24.674 1.00 72.13 H new ATOM 0 HB3 HIS A 9 -21.261 -15.876 24.183 1.00 72.13 H new ATOM 0 HD2 HIS A 9 -21.388 -18.680 23.323 1.00 13.15 H new ATOM 0 HE1 HIS A 9 -25.508 -18.402 22.370 1.00 2.34 H new ATOM 0 HE2 HIS A 9 -23.396 -19.786 22.077 1.00 1.43 H new ATOM 139 N HIS A 10 -19.709 -15.749 26.740 1.00 2.33 N ATOM 140 CA HIS A 10 -18.692 -14.752 27.107 1.00 74.24 C ATOM 141 C HIS A 10 -17.592 -14.712 26.029 1.00 40.44 C ATOM 142 O HIS A 10 -16.835 -15.671 25.866 1.00 14.12 O ATOM 143 CB HIS A 10 -18.091 -15.061 28.487 1.00 51.54 C ATOM 144 CG HIS A 10 -19.071 -14.912 29.615 1.00 21.13 C ATOM 145 ND1 HIS A 10 -19.331 -13.705 30.236 1.00 11.12 N ATOM 146 CD2 HIS A 10 -19.863 -15.822 30.233 1.00 45.54 C ATOM 147 CE1 HIS A 10 -20.233 -13.883 31.180 1.00 4.54 C ATOM 148 NE2 HIS A 10 -20.572 -15.155 31.199 1.00 3.32 N ATOM 0 H HIS A 10 -19.320 -16.651 26.465 1.00 2.33 H new ATOM 0 HA HIS A 10 -19.167 -13.773 27.166 1.00 74.24 H new ATOM 0 HB2 HIS A 10 -17.703 -16.080 28.486 1.00 51.54 H new ATOM 0 HB3 HIS A 10 -17.244 -14.398 28.662 1.00 51.54 H new ATOM 0 HD2 HIS A 10 -19.924 -16.876 30.007 1.00 45.54 H new ATOM 0 HE1 HIS A 10 -20.628 -13.115 31.829 1.00 4.54 H new ATOM 0 HE2 HIS A 10 -21.253 -15.577 31.831 1.00 3.32 H new ATOM 157 N SER A 11 -17.523 -13.603 25.291 1.00 51.01 N ATOM 158 CA SER A 11 -16.681 -13.505 24.082 1.00 4.30 C ATOM 159 C SER A 11 -15.169 -13.645 24.354 1.00 23.53 C ATOM 160 O SER A 11 -14.568 -14.653 23.980 1.00 14.10 O ATOM 161 CB SER A 11 -16.962 -12.185 23.351 1.00 60.51 C ATOM 162 OG SER A 11 -18.314 -12.111 22.919 1.00 3.31 O ATOM 0 H SER A 11 -18.041 -12.751 25.506 1.00 51.01 H new ATOM 0 HA SER A 11 -16.955 -14.354 23.455 1.00 4.30 H new ATOM 0 HB2 SER A 11 -16.743 -11.347 24.013 1.00 60.51 H new ATOM 0 HB3 SER A 11 -16.298 -12.094 22.491 1.00 60.51 H new ATOM 0 HG SER A 11 -18.464 -11.259 22.458 1.00 3.31 H new ATOM 168 N SER A 12 -14.557 -12.627 24.975 1.00 71.11 N ATOM 169 CA SER A 12 -13.093 -12.592 25.197 1.00 70.20 C ATOM 170 C SER A 12 -12.325 -12.447 23.870 1.00 5.30 C ATOM 171 O SER A 12 -12.199 -13.404 23.103 1.00 13.34 O ATOM 172 CB SER A 12 -12.600 -13.841 25.953 1.00 70.20 C ATOM 173 OG SER A 12 -11.193 -13.796 26.166 1.00 52.02 O ATOM 0 H SER A 12 -15.050 -11.811 25.336 1.00 71.11 H new ATOM 0 HA SER A 12 -12.892 -11.716 25.814 1.00 70.20 H new ATOM 0 HB2 SER A 12 -13.113 -13.914 26.912 1.00 70.20 H new ATOM 0 HB3 SER A 12 -12.856 -14.736 25.386 1.00 70.20 H new ATOM 0 HG SER A 12 -10.909 -14.600 26.649 1.00 52.02 H new ATOM 179 N GLY A 13 -11.813 -11.245 23.604 1.00 53.25 N ATOM 180 CA GLY A 13 -11.091 -10.989 22.358 1.00 20.24 C ATOM 181 C GLY A 13 -10.001 -9.927 22.502 1.00 11.34 C ATOM 182 O GLY A 13 -10.227 -8.747 22.226 1.00 31.22 O ATOM 0 H GLY A 13 -11.884 -10.441 24.228 1.00 53.25 H new ATOM 0 HA2 GLY A 13 -10.640 -11.918 22.009 1.00 20.24 H new ATOM 0 HA3 GLY A 13 -11.800 -10.672 21.593 1.00 20.24 H new ATOM 186 N ARG A 14 -8.809 -10.347 22.923 1.00 5.04 N ATOM 187 CA ARG A 14 -7.691 -9.422 23.140 1.00 72.10 C ATOM 188 C ARG A 14 -6.849 -9.247 21.860 1.00 45.21 C ATOM 189 O ARG A 14 -6.643 -10.197 21.101 1.00 60.22 O ATOM 190 CB ARG A 14 -6.812 -9.920 24.302 1.00 75.53 C ATOM 191 CG ARG A 14 -5.718 -8.939 24.719 1.00 64.54 C ATOM 192 CD ARG A 14 -4.938 -9.436 25.934 1.00 12.03 C ATOM 193 NE ARG A 14 -3.880 -8.504 26.320 1.00 14.04 N ATOM 194 CZ ARG A 14 -3.028 -8.720 27.281 1.00 74.22 C ATOM 195 NH1 ARG A 14 -3.117 -9.785 28.014 1.00 41.32 N ATOM 196 NH2 ARG A 14 -2.104 -7.847 27.529 1.00 42.14 N ATOM 0 H ARG A 14 -8.590 -11.323 23.122 1.00 5.04 H new ATOM 0 HA ARG A 14 -8.103 -8.447 23.399 1.00 72.10 H new ATOM 0 HB2 ARG A 14 -7.448 -10.126 25.163 1.00 75.53 H new ATOM 0 HB3 ARG A 14 -6.349 -10.864 24.015 1.00 75.53 H new ATOM 0 HG2 ARG A 14 -5.032 -8.785 23.886 1.00 64.54 H new ATOM 0 HG3 ARG A 14 -6.166 -7.972 24.946 1.00 64.54 H new ATOM 0 HD2 ARG A 14 -5.621 -9.577 26.771 1.00 12.03 H new ATOM 0 HD3 ARG A 14 -4.501 -10.410 25.712 1.00 12.03 H new ATOM 0 HE ARG A 14 -3.804 -7.628 25.803 1.00 14.04 H new ATOM 0 HH11 ARG A 14 -3.859 -10.463 27.841 1.00 41.32 H new ATOM 0 HH12 ARG A 14 -2.445 -9.945 28.764 1.00 41.32 H new ATOM 0 HH21 ARG A 14 -2.046 -6.994 26.973 1.00 42.14 H new ATOM 0 HH22 ARG A 14 -1.435 -8.012 28.281 1.00 42.14 H new ATOM 210 N GLU A 15 -6.381 -8.023 21.623 1.00 34.03 N ATOM 211 CA GLU A 15 -5.570 -7.707 20.434 1.00 20.20 C ATOM 212 C GLU A 15 -4.057 -7.850 20.709 1.00 71.04 C ATOM 213 O GLU A 15 -3.591 -7.642 21.831 1.00 43.41 O ATOM 214 CB GLU A 15 -5.895 -6.284 19.951 1.00 61.34 C ATOM 215 CG GLU A 15 -5.800 -5.225 21.046 1.00 51.34 C ATOM 216 CD GLU A 15 -6.184 -3.835 20.560 1.00 71.33 C ATOM 217 OE1 GLU A 15 -7.394 -3.568 20.395 1.00 73.15 O ATOM 218 OE2 GLU A 15 -5.280 -3.004 20.339 1.00 52.51 O ATOM 0 H GLU A 15 -6.547 -7.226 22.238 1.00 34.03 H new ATOM 0 HA GLU A 15 -5.823 -8.426 19.655 1.00 20.20 H new ATOM 0 HB2 GLU A 15 -5.213 -6.020 19.143 1.00 61.34 H new ATOM 0 HB3 GLU A 15 -6.902 -6.273 19.534 1.00 61.34 H new ATOM 0 HG2 GLU A 15 -6.450 -5.507 21.875 1.00 51.34 H new ATOM 0 HG3 GLU A 15 -4.781 -5.200 21.433 1.00 51.34 H new ATOM 225 N ASN A 16 -3.297 -8.210 19.670 1.00 61.23 N ATOM 226 CA ASN A 16 -1.842 -8.419 19.793 1.00 40.01 C ATOM 227 C ASN A 16 -1.037 -7.313 19.077 1.00 1.33 C ATOM 228 O ASN A 16 -1.086 -7.186 17.856 1.00 43.44 O ATOM 229 CB ASN A 16 -1.461 -9.801 19.234 1.00 51.42 C ATOM 230 CG ASN A 16 -1.957 -10.025 17.812 1.00 12.53 C ATOM 231 OD1 ASN A 16 -3.063 -10.506 17.597 1.00 5.25 O ATOM 232 ND2 ASN A 16 -1.150 -9.674 16.830 1.00 4.33 N ATOM 0 H ASN A 16 -3.662 -8.364 18.730 1.00 61.23 H new ATOM 0 HA ASN A 16 -1.589 -8.372 20.852 1.00 40.01 H new ATOM 0 HB2 ASN A 16 -0.377 -9.909 19.256 1.00 51.42 H new ATOM 0 HB3 ASN A 16 -1.872 -10.575 19.882 1.00 51.42 H new ATOM 0 HD21 ASN A 16 -1.441 -9.801 15.861 1.00 4.33 H new ATOM 0 HD22 ASN A 16 -0.235 -9.276 17.040 1.00 4.33 H new ATOM 239 N LEU A 17 -0.296 -6.512 19.846 1.00 22.54 N ATOM 240 CA LEU A 17 0.537 -5.440 19.274 1.00 40.55 C ATOM 241 C LEU A 17 2.023 -5.614 19.624 1.00 22.24 C ATOM 242 O LEU A 17 2.379 -6.367 20.534 1.00 51.52 O ATOM 243 CB LEU A 17 0.051 -4.059 19.735 1.00 2.31 C ATOM 244 CG LEU A 17 -1.272 -3.593 19.102 1.00 31.10 C ATOM 245 CD1 LEU A 17 -2.468 -4.306 19.725 1.00 1.15 C ATOM 246 CD2 LEU A 17 -1.417 -2.082 19.208 1.00 52.22 C ATOM 0 H LEU A 17 -0.252 -6.581 20.863 1.00 22.54 H new ATOM 0 HA LEU A 17 0.437 -5.510 18.191 1.00 40.55 H new ATOM 0 HB2 LEU A 17 -0.067 -4.075 20.818 1.00 2.31 H new ATOM 0 HB3 LEU A 17 0.824 -3.324 19.509 1.00 2.31 H new ATOM 0 HG LEU A 17 -1.249 -3.858 18.045 1.00 31.10 H new ATOM 0 HD11 LEU A 17 -3.387 -3.954 19.255 1.00 1.15 H new ATOM 0 HD12 LEU A 17 -2.371 -5.381 19.572 1.00 1.15 H new ATOM 0 HD13 LEU A 17 -2.502 -4.093 20.794 1.00 1.15 H new ATOM 0 HD21 LEU A 17 -2.359 -1.774 18.754 1.00 52.22 H new ATOM 0 HD22 LEU A 17 -1.407 -1.788 20.258 1.00 52.22 H new ATOM 0 HD23 LEU A 17 -0.589 -1.600 18.688 1.00 52.22 H new ATOM 258 N TYR A 18 2.882 -4.906 18.890 1.00 52.55 N ATOM 259 CA TYR A 18 4.340 -4.973 19.086 1.00 14.42 C ATOM 260 C TYR A 18 4.949 -3.562 19.112 1.00 34.53 C ATOM 261 O TYR A 18 4.281 -2.585 18.771 1.00 64.13 O ATOM 262 CB TYR A 18 4.993 -5.791 17.957 1.00 43.13 C ATOM 263 CG TYR A 18 4.463 -7.210 17.832 1.00 64.14 C ATOM 264 CD1 TYR A 18 3.343 -7.490 17.052 1.00 63.10 C ATOM 265 CD2 TYR A 18 5.080 -8.269 18.492 1.00 4.42 C ATOM 266 CE1 TYR A 18 2.857 -8.775 16.936 1.00 45.11 C ATOM 267 CE2 TYR A 18 4.597 -9.559 18.378 1.00 14.21 C ATOM 268 CZ TYR A 18 3.485 -9.805 17.601 1.00 74.44 C ATOM 269 OH TYR A 18 3.003 -11.087 17.483 1.00 21.30 O ATOM 0 H TYR A 18 2.594 -4.271 18.145 1.00 52.55 H new ATOM 0 HA TYR A 18 4.531 -5.460 20.042 1.00 14.42 H new ATOM 0 HB2 TYR A 18 4.838 -5.272 17.011 1.00 43.13 H new ATOM 0 HB3 TYR A 18 6.069 -5.830 18.127 1.00 43.13 H new ATOM 0 HD1 TYR A 18 2.847 -6.686 16.529 1.00 63.10 H new ATOM 0 HD2 TYR A 18 5.950 -8.080 19.103 1.00 4.42 H new ATOM 0 HE1 TYR A 18 1.988 -8.973 16.326 1.00 45.11 H new ATOM 0 HE2 TYR A 18 5.088 -10.370 18.895 1.00 14.21 H new ATOM 0 HH TYR A 18 3.559 -11.696 18.013 1.00 21.30 H new ATOM 279 N PHE A 19 6.219 -3.455 19.505 1.00 60.54 N ATOM 280 CA PHE A 19 6.914 -2.160 19.529 1.00 61.40 C ATOM 281 C PHE A 19 7.884 -2.004 18.348 1.00 2.30 C ATOM 282 O PHE A 19 8.905 -2.693 18.270 1.00 52.12 O ATOM 283 CB PHE A 19 7.659 -1.965 20.856 1.00 5.23 C ATOM 284 CG PHE A 19 6.754 -1.545 21.988 1.00 60.45 C ATOM 285 CD1 PHE A 19 6.117 -2.488 22.782 1.00 63.03 C ATOM 286 CD2 PHE A 19 6.535 -0.199 22.250 1.00 4.02 C ATOM 287 CE1 PHE A 19 5.283 -2.095 23.812 1.00 71.34 C ATOM 288 CE2 PHE A 19 5.701 0.195 23.277 1.00 22.22 C ATOM 289 CZ PHE A 19 5.075 -0.753 24.059 1.00 73.14 C ATOM 0 H PHE A 19 6.789 -4.244 19.811 1.00 60.54 H new ATOM 0 HA PHE A 19 6.151 -1.387 19.434 1.00 61.40 H new ATOM 0 HB2 PHE A 19 8.159 -2.895 21.125 1.00 5.23 H new ATOM 0 HB3 PHE A 19 8.436 -1.213 20.722 1.00 5.23 H new ATOM 0 HD1 PHE A 19 6.274 -3.540 22.593 1.00 63.03 H new ATOM 0 HD2 PHE A 19 7.023 0.549 21.643 1.00 4.02 H new ATOM 0 HE1 PHE A 19 4.794 -2.838 24.424 1.00 71.34 H new ATOM 0 HE2 PHE A 19 5.539 1.245 23.468 1.00 22.22 H new ATOM 0 HZ PHE A 19 4.423 -0.446 24.863 1.00 73.14 H new ATOM 299 N GLN A 20 7.538 -1.093 17.438 1.00 5.45 N ATOM 300 CA GLN A 20 8.377 -0.746 16.283 1.00 64.00 C ATOM 301 C GLN A 20 8.505 -1.868 15.244 1.00 65.45 C ATOM 302 O GLN A 20 8.225 -3.041 15.504 1.00 71.12 O ATOM 303 CB GLN A 20 9.779 -0.283 16.722 1.00 34.01 C ATOM 304 CG GLN A 20 9.841 1.183 17.123 1.00 0.42 C ATOM 305 CD GLN A 20 9.021 1.502 18.362 1.00 54.40 C ATOM 306 OE1 GLN A 20 9.515 1.441 19.482 1.00 44.33 O ATOM 307 NE2 GLN A 20 7.760 1.838 18.177 1.00 34.11 N ATOM 0 H GLN A 20 6.663 -0.570 17.479 1.00 5.45 H new ATOM 0 HA GLN A 20 7.855 0.078 15.796 1.00 64.00 H new ATOM 0 HB2 GLN A 20 10.107 -0.895 17.562 1.00 34.01 H new ATOM 0 HB3 GLN A 20 10.481 -0.458 15.907 1.00 34.01 H new ATOM 0 HG2 GLN A 20 10.880 1.460 17.302 1.00 0.42 H new ATOM 0 HG3 GLN A 20 9.486 1.795 16.294 1.00 0.42 H new ATOM 0 HE21 GLN A 20 7.377 1.880 17.233 1.00 34.11 H new ATOM 0 HE22 GLN A 20 7.167 2.056 18.978 1.00 34.11 H new ATOM 316 N GLY A 21 8.935 -1.463 14.055 1.00 43.14 N ATOM 317 CA GLY A 21 9.193 -2.389 12.971 1.00 65.53 C ATOM 318 C GLY A 21 10.015 -1.741 11.865 1.00 43.52 C ATOM 319 O GLY A 21 10.172 -0.518 11.843 1.00 40.33 O ATOM 0 H GLY A 21 9.113 -0.486 13.821 1.00 43.14 H new ATOM 0 HA2 GLY A 21 9.722 -3.261 13.355 1.00 65.53 H new ATOM 0 HA3 GLY A 21 8.247 -2.744 12.562 1.00 65.53 H new ATOM 323 N HIS A 22 10.544 -2.540 10.943 1.00 51.34 N ATOM 324 CA HIS A 22 11.396 -2.003 9.881 1.00 14.25 C ATOM 325 C HIS A 22 10.553 -1.330 8.785 1.00 43.40 C ATOM 326 O HIS A 22 9.933 -2.009 7.963 1.00 2.22 O ATOM 327 CB HIS A 22 12.272 -3.109 9.271 1.00 13.44 C ATOM 328 CG HIS A 22 13.432 -2.586 8.471 1.00 33.31 C ATOM 329 ND1 HIS A 22 13.475 -1.909 7.298 1.00 2.12 N flip ATOM 330 CD2 HIS A 22 14.742 -2.731 8.868 1.00 5.13 C flip ATOM 331 CE1 HIS A 22 14.797 -1.662 7.020 1.00 43.34 C flip ATOM 332 NE2 HIS A 22 15.538 -2.168 7.983 1.00 12.25 N flip ATOM 0 H HIS A 22 10.402 -3.549 10.907 1.00 51.34 H new ATOM 0 HA HIS A 22 12.046 -1.250 10.327 1.00 14.25 H new ATOM 0 HB2 HIS A 22 12.651 -3.744 10.072 1.00 13.44 H new ATOM 0 HB3 HIS A 22 11.654 -3.738 8.630 1.00 13.44 H new ATOM 0 HD2 HIS A 22 15.067 -3.231 9.768 1.00 5.13 H new ATOM 0 HE1 HIS A 22 15.168 -1.138 6.152 1.00 43.34 H new ATOM 0 HE2 HIS A 22 16.556 -2.130 8.035 1.00 12.25 H new ATOM 341 N MET A 23 10.521 0.003 8.791 1.00 14.31 N ATOM 342 CA MET A 23 9.818 0.768 7.754 1.00 50.21 C ATOM 343 C MET A 23 10.791 1.538 6.852 1.00 12.22 C ATOM 344 O MET A 23 11.974 1.683 7.162 1.00 25.43 O ATOM 345 CB MET A 23 8.824 1.758 8.371 1.00 71.32 C ATOM 346 CG MET A 23 9.466 2.818 9.254 1.00 30.21 C ATOM 347 SD MET A 23 8.382 4.232 9.533 1.00 14.21 S ATOM 348 CE MET A 23 6.824 3.408 9.857 1.00 51.42 C ATOM 0 H MET A 23 10.973 0.578 9.502 1.00 14.31 H new ATOM 0 HA MET A 23 9.278 0.040 7.149 1.00 50.21 H new ATOM 0 HB2 MET A 23 8.276 2.253 7.569 1.00 71.32 H new ATOM 0 HB3 MET A 23 8.094 1.203 8.961 1.00 71.32 H new ATOM 0 HG2 MET A 23 9.733 2.374 10.213 1.00 30.21 H new ATOM 0 HG3 MET A 23 10.392 3.160 8.792 1.00 30.21 H new ATOM 0 HE1 MET A 23 6.131 4.110 10.320 1.00 51.42 H new ATOM 0 HE2 MET A 23 6.402 3.046 8.919 1.00 51.42 H new ATOM 0 HE3 MET A 23 6.991 2.566 10.529 1.00 51.42 H new ATOM 358 N LEU A 24 10.271 2.038 5.737 1.00 34.45 N ATOM 359 CA LEU A 24 11.052 2.840 4.792 1.00 51.33 C ATOM 360 C LEU A 24 10.286 4.090 4.345 1.00 70.33 C ATOM 361 O LEU A 24 9.078 4.045 4.102 1.00 71.03 O ATOM 362 CB LEU A 24 11.436 1.989 3.573 1.00 51.05 C ATOM 363 CG LEU A 24 12.643 1.063 3.789 1.00 63.41 C ATOM 364 CD1 LEU A 24 12.650 -0.065 2.766 1.00 52.32 C ATOM 365 CD2 LEU A 24 13.945 1.859 3.709 1.00 51.04 C ATOM 0 H LEU A 24 9.299 1.902 5.460 1.00 34.45 H new ATOM 0 HA LEU A 24 11.957 3.171 5.301 1.00 51.33 H new ATOM 0 HB2 LEU A 24 10.577 1.382 3.286 1.00 51.05 H new ATOM 0 HB3 LEU A 24 11.651 2.654 2.736 1.00 51.05 H new ATOM 0 HG LEU A 24 12.561 0.623 4.783 1.00 63.41 H new ATOM 0 HD11 LEU A 24 13.513 -0.707 2.939 1.00 52.32 H new ATOM 0 HD12 LEU A 24 11.736 -0.651 2.864 1.00 52.32 H new ATOM 0 HD13 LEU A 24 12.705 0.355 1.762 1.00 52.32 H new ATOM 0 HD21 LEU A 24 14.791 1.189 3.864 1.00 51.04 H new ATOM 0 HD22 LEU A 24 14.027 2.325 2.727 1.00 51.04 H new ATOM 0 HD23 LEU A 24 13.947 2.631 4.479 1.00 51.04 H new ATOM 377 N GLU A 25 11.002 5.205 4.249 1.00 5.13 N ATOM 378 CA GLU A 25 10.424 6.466 3.770 1.00 50.14 C ATOM 379 C GLU A 25 10.450 6.532 2.246 1.00 41.21 C ATOM 380 O GLU A 25 11.512 6.588 1.620 1.00 24.44 O ATOM 381 CB GLU A 25 11.154 7.659 4.398 1.00 22.45 C ATOM 382 CG GLU A 25 10.650 7.969 5.799 1.00 0.45 C ATOM 383 CD GLU A 25 11.618 8.810 6.620 1.00 33.31 C ATOM 384 OE1 GLU A 25 11.557 10.057 6.538 1.00 33.50 O ATOM 385 OE2 GLU A 25 12.443 8.228 7.358 1.00 31.03 O ATOM 0 H GLU A 25 11.990 5.266 4.497 1.00 5.13 H new ATOM 0 HA GLU A 25 9.380 6.511 4.079 1.00 50.14 H new ATOM 0 HB2 GLU A 25 12.223 7.449 4.437 1.00 22.45 H new ATOM 0 HB3 GLU A 25 11.024 8.537 3.765 1.00 22.45 H new ATOM 0 HG2 GLU A 25 9.697 8.493 5.726 1.00 0.45 H new ATOM 0 HG3 GLU A 25 10.459 7.033 6.324 1.00 0.45 H new ATOM 392 N VAL A 26 9.259 6.530 1.666 1.00 23.12 N ATOM 393 CA VAL A 26 9.086 6.383 0.213 1.00 12.33 C ATOM 394 C VAL A 26 8.071 7.386 -0.359 1.00 42.04 C ATOM 395 O VAL A 26 7.336 8.040 0.386 1.00 42.32 O ATOM 396 CB VAL A 26 8.610 4.947 -0.142 1.00 3.03 C ATOM 397 CG1 VAL A 26 9.638 3.902 0.292 1.00 4.24 C ATOM 398 CG2 VAL A 26 7.248 4.660 0.493 1.00 21.05 C ATOM 0 H VAL A 26 8.383 6.629 2.179 1.00 23.12 H new ATOM 0 HA VAL A 26 10.061 6.580 -0.232 1.00 12.33 H new ATOM 0 HB VAL A 26 8.507 4.885 -1.225 1.00 3.03 H new ATOM 0 HG11 VAL A 26 9.278 2.907 0.031 1.00 4.24 H new ATOM 0 HG12 VAL A 26 10.584 4.090 -0.215 1.00 4.24 H new ATOM 0 HG13 VAL A 26 9.786 3.963 1.370 1.00 4.24 H new ATOM 0 HG21 VAL A 26 6.931 3.650 0.233 1.00 21.05 H new ATOM 0 HG22 VAL A 26 7.326 4.749 1.577 1.00 21.05 H new ATOM 0 HG23 VAL A 26 6.515 5.377 0.122 1.00 21.05 H new ATOM 408 N GLU A 27 8.039 7.513 -1.688 1.00 10.43 N ATOM 409 CA GLU A 27 6.991 8.294 -2.358 1.00 61.10 C ATOM 410 C GLU A 27 5.918 7.363 -2.941 1.00 33.51 C ATOM 411 O GLU A 27 6.235 6.382 -3.613 1.00 51.23 O ATOM 412 CB GLU A 27 7.575 9.172 -3.475 1.00 5.10 C ATOM 413 CG GLU A 27 6.539 10.096 -4.113 1.00 62.22 C ATOM 414 CD GLU A 27 7.087 10.891 -5.288 1.00 51.21 C ATOM 415 OE1 GLU A 27 7.702 11.951 -5.063 1.00 4.33 O ATOM 416 OE2 GLU A 27 6.885 10.470 -6.442 1.00 73.42 O ATOM 0 H GLU A 27 8.720 7.090 -2.319 1.00 10.43 H new ATOM 0 HA GLU A 27 6.537 8.945 -1.611 1.00 61.10 H new ATOM 0 HB2 GLU A 27 8.388 9.773 -3.069 1.00 5.10 H new ATOM 0 HB3 GLU A 27 8.005 8.532 -4.245 1.00 5.10 H new ATOM 0 HG2 GLU A 27 5.690 9.501 -4.450 1.00 62.22 H new ATOM 0 HG3 GLU A 27 6.165 10.787 -3.358 1.00 62.22 H new ATOM 423 N VAL A 28 4.651 7.679 -2.683 1.00 54.41 N ATOM 424 CA VAL A 28 3.524 6.837 -3.110 1.00 24.52 C ATOM 425 C VAL A 28 2.752 7.455 -4.290 1.00 34.52 C ATOM 426 O VAL A 28 2.074 8.472 -4.138 1.00 23.24 O ATOM 427 CB VAL A 28 2.535 6.609 -1.934 1.00 70.24 C ATOM 428 CG1 VAL A 28 1.396 5.677 -2.344 1.00 14.34 C ATOM 429 CG2 VAL A 28 3.262 6.076 -0.698 1.00 35.35 C ATOM 0 H VAL A 28 4.372 8.519 -2.176 1.00 54.41 H new ATOM 0 HA VAL A 28 3.951 5.887 -3.433 1.00 24.52 H new ATOM 0 HB VAL A 28 2.099 7.574 -1.675 1.00 70.24 H new ATOM 0 HG11 VAL A 28 0.720 5.536 -1.501 1.00 14.34 H new ATOM 0 HG12 VAL A 28 0.849 6.116 -3.178 1.00 14.34 H new ATOM 0 HG13 VAL A 28 1.805 4.713 -2.646 1.00 14.34 H new ATOM 0 HG21 VAL A 28 2.545 5.926 0.109 1.00 35.35 H new ATOM 0 HG22 VAL A 28 3.741 5.127 -0.939 1.00 35.35 H new ATOM 0 HG23 VAL A 28 4.018 6.795 -0.383 1.00 35.35 H new ATOM 439 N ILE A 29 2.848 6.832 -5.464 1.00 11.12 N ATOM 440 CA ILE A 29 2.066 7.265 -6.636 1.00 63.41 C ATOM 441 C ILE A 29 0.832 6.378 -6.838 1.00 4.02 C ATOM 442 O ILE A 29 0.832 5.199 -6.483 1.00 63.42 O ATOM 443 CB ILE A 29 2.889 7.280 -7.961 1.00 73.33 C ATOM 444 CG1 ILE A 29 3.783 6.034 -8.095 1.00 14.32 C ATOM 445 CG2 ILE A 29 3.722 8.552 -8.075 1.00 21.31 C ATOM 446 CD1 ILE A 29 5.097 6.138 -7.353 1.00 4.22 C ATOM 0 H ILE A 29 3.454 6.030 -5.635 1.00 11.12 H new ATOM 0 HA ILE A 29 1.765 8.289 -6.415 1.00 63.41 H new ATOM 0 HB ILE A 29 2.173 7.262 -8.782 1.00 73.33 H new ATOM 0 HG12 ILE A 29 3.237 5.166 -7.726 1.00 14.32 H new ATOM 0 HG13 ILE A 29 3.987 5.857 -9.151 1.00 14.32 H new ATOM 0 HG21 ILE A 29 4.285 8.536 -9.008 1.00 21.31 H new ATOM 0 HG22 ILE A 29 3.063 9.420 -8.064 1.00 21.31 H new ATOM 0 HG23 ILE A 29 4.414 8.611 -7.235 1.00 21.31 H new ATOM 0 HD11 ILE A 29 5.669 5.222 -7.496 1.00 4.22 H new ATOM 0 HD12 ILE A 29 5.666 6.985 -7.737 1.00 4.22 H new ATOM 0 HD13 ILE A 29 4.904 6.283 -6.290 1.00 4.22 H new ATOM 458 N SER A 30 -0.220 6.952 -7.416 1.00 24.52 N ATOM 459 CA SER A 30 -1.467 6.217 -7.663 1.00 44.54 C ATOM 460 C SER A 30 -1.874 6.268 -9.139 1.00 43.52 C ATOM 461 O SER A 30 -2.275 7.314 -9.650 1.00 34.13 O ATOM 462 CB SER A 30 -2.594 6.768 -6.787 1.00 50.54 C ATOM 463 OG SER A 30 -2.329 6.546 -5.411 1.00 11.43 O ATOM 0 H SER A 30 -0.238 7.924 -7.724 1.00 24.52 H new ATOM 0 HA SER A 30 -1.288 5.174 -7.403 1.00 44.54 H new ATOM 0 HB2 SER A 30 -2.711 7.836 -6.970 1.00 50.54 H new ATOM 0 HB3 SER A 30 -3.536 6.293 -7.060 1.00 50.54 H new ATOM 0 HG SER A 30 -2.248 5.584 -5.245 1.00 11.43 H new ATOM 469 N GLY A 31 -1.771 5.127 -9.818 1.00 34.22 N ATOM 470 CA GLY A 31 -2.153 5.045 -11.229 1.00 60.53 C ATOM 471 C GLY A 31 -3.593 4.576 -11.416 1.00 44.02 C ATOM 472 O GLY A 31 -3.970 3.509 -10.927 1.00 31.14 O ATOM 0 H GLY A 31 -1.429 4.253 -9.419 1.00 34.22 H new ATOM 0 HA2 GLY A 31 -2.029 6.023 -11.693 1.00 60.53 H new ATOM 0 HA3 GLY A 31 -1.481 4.360 -11.745 1.00 60.53 H new ATOM 476 N ARG A 32 -4.401 5.364 -12.126 1.00 53.35 N ATOM 477 CA ARG A 32 -5.831 5.062 -12.282 1.00 43.22 C ATOM 478 C ARG A 32 -6.075 3.909 -13.268 1.00 62.40 C ATOM 479 O ARG A 32 -6.020 4.086 -14.487 1.00 35.52 O ATOM 480 CB ARG A 32 -6.601 6.319 -12.718 1.00 24.14 C ATOM 481 CG ARG A 32 -8.103 6.097 -12.890 1.00 51.32 C ATOM 482 CD ARG A 32 -8.852 7.409 -13.122 1.00 24.03 C ATOM 483 NE ARG A 32 -8.328 8.156 -14.265 1.00 34.12 N ATOM 484 CZ ARG A 32 -8.590 9.415 -14.504 1.00 42.22 C ATOM 485 NH1 ARG A 32 -9.357 10.092 -13.712 1.00 10.42 N ATOM 486 NH2 ARG A 32 -8.073 9.995 -15.534 1.00 41.42 N ATOM 0 H ARG A 32 -4.095 6.213 -12.601 1.00 53.35 H new ATOM 0 HA ARG A 32 -6.203 4.738 -11.310 1.00 43.22 H new ATOM 0 HB2 ARG A 32 -6.442 7.105 -11.979 1.00 24.14 H new ATOM 0 HB3 ARG A 32 -6.187 6.678 -13.660 1.00 24.14 H new ATOM 0 HG2 ARG A 32 -8.276 5.427 -13.732 1.00 51.32 H new ATOM 0 HG3 ARG A 32 -8.501 5.604 -12.003 1.00 51.32 H new ATOM 0 HD2 ARG A 32 -9.909 7.197 -13.284 1.00 24.03 H new ATOM 0 HD3 ARG A 32 -8.784 8.026 -12.226 1.00 24.03 H new ATOM 0 HE ARG A 32 -7.719 7.663 -14.918 1.00 34.12 H new ATOM 0 HH11 ARG A 32 -9.764 9.644 -12.891 1.00 10.42 H new ATOM 0 HH12 ARG A 32 -9.554 11.073 -13.909 1.00 10.42 H new ATOM 0 HH21 ARG A 32 -7.461 9.472 -16.160 1.00 41.42 H new ATOM 0 HH22 ARG A 32 -8.276 10.977 -15.722 1.00 41.42 H new ATOM 500 N THR A 33 -6.328 2.726 -12.721 1.00 22.45 N ATOM 501 CA THR A 33 -6.678 1.542 -13.517 1.00 12.11 C ATOM 502 C THR A 33 -7.908 0.843 -12.923 1.00 33.15 C ATOM 503 O THR A 33 -8.407 1.252 -11.873 1.00 2.15 O ATOM 504 CB THR A 33 -5.507 0.531 -13.594 1.00 51.25 C ATOM 505 OG1 THR A 33 -5.894 -0.622 -14.363 1.00 3.12 O ATOM 506 CG2 THR A 33 -5.066 0.093 -12.200 1.00 11.10 C ATOM 0 H THR A 33 -6.298 2.554 -11.716 1.00 22.45 H new ATOM 0 HA THR A 33 -6.899 1.889 -14.526 1.00 12.11 H new ATOM 0 HB THR A 33 -4.668 1.027 -14.082 1.00 51.25 H new ATOM 0 HG1 THR A 33 -5.145 -1.253 -14.406 1.00 3.12 H new ATOM 0 HG21 THR A 33 -4.243 -0.616 -12.285 1.00 11.10 H new ATOM 0 HG22 THR A 33 -4.738 0.963 -11.632 1.00 11.10 H new ATOM 0 HG23 THR A 33 -5.902 -0.381 -11.686 1.00 11.10 H new ATOM 514 N LEU A 34 -8.383 -0.211 -13.591 1.00 13.50 N ATOM 515 CA LEU A 34 -9.585 -0.949 -13.161 1.00 60.12 C ATOM 516 C LEU A 34 -10.857 -0.090 -13.271 1.00 11.32 C ATOM 517 O LEU A 34 -11.712 -0.332 -14.121 1.00 24.42 O ATOM 518 CB LEU A 34 -9.426 -1.462 -11.718 1.00 70.12 C ATOM 519 CG LEU A 34 -10.645 -2.208 -11.147 1.00 0.23 C ATOM 520 CD1 LEU A 34 -10.855 -3.545 -11.857 1.00 0.22 C ATOM 521 CD2 LEU A 34 -10.502 -2.401 -9.638 1.00 43.30 C ATOM 0 H LEU A 34 -7.953 -0.579 -14.440 1.00 13.50 H new ATOM 0 HA LEU A 34 -9.693 -1.800 -13.834 1.00 60.12 H new ATOM 0 HB2 LEU A 34 -8.563 -2.127 -11.679 1.00 70.12 H new ATOM 0 HB3 LEU A 34 -9.204 -0.614 -11.071 1.00 70.12 H new ATOM 0 HG LEU A 34 -11.530 -1.597 -11.327 1.00 0.23 H new ATOM 0 HD11 LEU A 34 -11.723 -4.050 -11.433 1.00 0.22 H new ATOM 0 HD12 LEU A 34 -11.020 -3.370 -12.920 1.00 0.22 H new ATOM 0 HD13 LEU A 34 -9.972 -4.170 -11.725 1.00 0.22 H new ATOM 0 HD21 LEU A 34 -11.374 -2.930 -9.255 1.00 43.30 H new ATOM 0 HD22 LEU A 34 -9.604 -2.982 -9.429 1.00 43.30 H new ATOM 0 HD23 LEU A 34 -10.426 -1.428 -9.152 1.00 43.30 H new ATOM 533 N ASN A 35 -10.983 0.907 -12.398 1.00 24.11 N ATOM 534 CA ASN A 35 -12.157 1.780 -12.372 1.00 74.11 C ATOM 535 C ASN A 35 -11.852 3.152 -13.002 1.00 64.42 C ATOM 536 O ASN A 35 -11.076 3.941 -12.460 1.00 12.44 O ATOM 537 CB ASN A 35 -12.650 1.940 -10.927 1.00 14.51 C ATOM 538 CG ASN A 35 -13.865 2.840 -10.820 1.00 33.21 C ATOM 539 OD1 ASN A 35 -14.624 2.999 -11.770 1.00 63.32 O ATOM 540 ND2 ASN A 35 -14.077 3.407 -9.653 1.00 71.23 N ATOM 0 H ASN A 35 -10.281 1.132 -11.693 1.00 24.11 H new ATOM 0 HA ASN A 35 -12.944 1.318 -12.968 1.00 74.11 H new ATOM 0 HB2 ASN A 35 -12.893 0.959 -10.519 1.00 14.51 H new ATOM 0 HB3 ASN A 35 -11.845 2.349 -10.316 1.00 14.51 H new ATOM 0 HD21 ASN A 35 -14.894 4.002 -9.516 1.00 71.23 H new ATOM 0 HD22 ASN A 35 -13.424 3.252 -8.885 1.00 71.23 H new ATOM 547 N GLN A 36 -12.461 3.416 -14.155 1.00 55.14 N ATOM 548 CA GLN A 36 -12.264 4.682 -14.870 1.00 11.12 C ATOM 549 C GLN A 36 -13.510 5.577 -14.785 1.00 24.32 C ATOM 550 O GLN A 36 -13.406 6.804 -14.809 1.00 53.34 O ATOM 551 CB GLN A 36 -11.924 4.408 -16.345 1.00 72.41 C ATOM 552 CG GLN A 36 -10.705 3.513 -16.543 1.00 12.55 C ATOM 553 CD GLN A 36 -10.376 3.285 -18.009 1.00 35.22 C ATOM 554 OE1 GLN A 36 -9.601 4.023 -18.607 1.00 33.43 O ATOM 555 NE2 GLN A 36 -10.972 2.270 -18.605 1.00 20.40 N ATOM 0 H GLN A 36 -13.099 2.769 -14.619 1.00 55.14 H new ATOM 0 HA GLN A 36 -11.436 5.206 -14.394 1.00 11.12 H new ATOM 0 HB2 GLN A 36 -12.785 3.944 -16.826 1.00 72.41 H new ATOM 0 HB3 GLN A 36 -11.751 5.358 -16.850 1.00 72.41 H new ATOM 0 HG2 GLN A 36 -9.845 3.963 -16.048 1.00 12.55 H new ATOM 0 HG3 GLN A 36 -10.883 2.552 -16.061 1.00 12.55 H new ATOM 0 HE21 GLN A 36 -11.612 1.674 -18.080 1.00 20.40 H new ATOM 0 HE22 GLN A 36 -10.793 2.081 -19.591 1.00 20.40 H new ATOM 564 N GLY A 37 -14.689 4.958 -14.682 1.00 21.24 N ATOM 565 CA GLY A 37 -15.934 5.726 -14.654 1.00 33.13 C ATOM 566 C GLY A 37 -17.069 5.041 -13.892 1.00 13.43 C ATOM 567 O GLY A 37 -18.202 4.991 -14.370 1.00 62.24 O ATOM 0 H GLY A 37 -14.807 3.947 -14.618 1.00 21.24 H new ATOM 0 HA2 GLY A 37 -15.740 6.698 -14.200 1.00 33.13 H new ATOM 0 HA3 GLY A 37 -16.258 5.912 -15.678 1.00 33.13 H new ATOM 571 N ALA A 38 -16.767 4.503 -12.714 1.00 54.43 N ATOM 572 CA ALA A 38 -17.793 3.909 -11.843 1.00 1.00 C ATOM 573 C ALA A 38 -17.478 4.169 -10.364 1.00 12.24 C ATOM 574 O ALA A 38 -16.473 4.797 -10.032 1.00 24.11 O ATOM 575 CB ALA A 38 -17.904 2.406 -12.098 1.00 41.02 C ATOM 0 H ALA A 38 -15.821 4.463 -12.335 1.00 54.43 H new ATOM 0 HA ALA A 38 -18.747 4.380 -12.079 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -18.667 1.982 -11.446 1.00 41.02 H new ATOM 0 HB2 ALA A 38 -18.179 2.233 -13.139 1.00 41.02 H new ATOM 0 HB3 ALA A 38 -16.945 1.930 -11.892 1.00 41.02 H new ATOM 581 N THR A 39 -18.348 3.699 -9.476 1.00 60.00 N ATOM 582 CA THR A 39 -18.087 3.770 -8.034 1.00 4.50 C ATOM 583 C THR A 39 -17.535 2.433 -7.528 1.00 3.52 C ATOM 584 O THR A 39 -17.457 1.459 -8.281 1.00 10.14 O ATOM 585 CB THR A 39 -19.360 4.123 -7.225 1.00 50.24 C ATOM 586 OG1 THR A 39 -20.262 3.008 -7.208 1.00 5.54 O ATOM 587 CG2 THR A 39 -20.064 5.342 -7.813 1.00 34.25 C ATOM 0 H THR A 39 -19.238 3.266 -9.723 1.00 60.00 H new ATOM 0 HA THR A 39 -17.355 4.564 -7.885 1.00 4.50 H new ATOM 0 HB THR A 39 -19.054 4.358 -6.205 1.00 50.24 H new ATOM 0 HG1 THR A 39 -20.240 2.583 -6.325 1.00 5.54 H new ATOM 0 HG21 THR A 39 -20.954 5.567 -7.225 1.00 34.25 H new ATOM 0 HG22 THR A 39 -19.389 6.198 -7.791 1.00 34.25 H new ATOM 0 HG23 THR A 39 -20.353 5.134 -8.843 1.00 34.25 H new ATOM 595 N VAL A 40 -17.161 2.379 -6.255 1.00 51.30 N ATOM 596 CA VAL A 40 -16.598 1.158 -5.677 1.00 63.04 C ATOM 597 C VAL A 40 -17.641 0.030 -5.650 1.00 52.40 C ATOM 598 O VAL A 40 -17.329 -1.124 -5.940 1.00 24.42 O ATOM 599 CB VAL A 40 -16.058 1.408 -4.246 1.00 54.15 C ATOM 600 CG1 VAL A 40 -15.393 0.155 -3.682 1.00 65.52 C ATOM 601 CG2 VAL A 40 -15.084 2.585 -4.235 1.00 65.24 C ATOM 0 H VAL A 40 -17.236 3.160 -5.604 1.00 51.30 H new ATOM 0 HA VAL A 40 -15.766 0.854 -6.312 1.00 63.04 H new ATOM 0 HB VAL A 40 -16.905 1.656 -3.607 1.00 54.15 H new ATOM 0 HG11 VAL A 40 -15.024 0.360 -2.677 1.00 65.52 H new ATOM 0 HG12 VAL A 40 -16.120 -0.656 -3.643 1.00 65.52 H new ATOM 0 HG13 VAL A 40 -14.560 -0.135 -4.323 1.00 65.52 H new ATOM 0 HG21 VAL A 40 -14.717 2.744 -3.221 1.00 65.24 H new ATOM 0 HG22 VAL A 40 -14.244 2.369 -4.896 1.00 65.24 H new ATOM 0 HG23 VAL A 40 -15.595 3.484 -4.580 1.00 65.24 H new ATOM 611 N GLU A 41 -18.886 0.380 -5.334 1.00 43.50 N ATOM 612 CA GLU A 41 -19.974 -0.604 -5.256 1.00 2.34 C ATOM 613 C GLU A 41 -20.281 -1.206 -6.636 1.00 52.55 C ATOM 614 O GLU A 41 -20.493 -2.414 -6.766 1.00 63.31 O ATOM 615 CB GLU A 41 -21.253 0.025 -4.677 1.00 34.24 C ATOM 616 CG GLU A 41 -21.021 0.949 -3.481 1.00 65.11 C ATOM 617 CD GLU A 41 -20.908 2.413 -3.887 1.00 33.04 C ATOM 618 OE1 GLU A 41 -19.805 2.850 -4.279 1.00 21.04 O ATOM 619 OE2 GLU A 41 -21.935 3.121 -3.845 1.00 23.12 O ATOM 0 H GLU A 41 -19.171 1.337 -5.127 1.00 43.50 H new ATOM 0 HA GLU A 41 -19.638 -1.399 -4.591 1.00 2.34 H new ATOM 0 HB2 GLU A 41 -21.753 0.589 -5.464 1.00 34.24 H new ATOM 0 HB3 GLU A 41 -21.931 -0.774 -4.377 1.00 34.24 H new ATOM 0 HG2 GLU A 41 -21.842 0.834 -2.773 1.00 65.11 H new ATOM 0 HG3 GLU A 41 -20.110 0.647 -2.964 1.00 65.11 H new ATOM 626 N GLU A 42 -20.299 -0.352 -7.665 1.00 62.45 N ATOM 627 CA GLU A 42 -20.565 -0.788 -9.047 1.00 63.31 C ATOM 628 C GLU A 42 -19.632 -1.929 -9.473 1.00 72.13 C ATOM 629 O GLU A 42 -20.011 -2.803 -10.253 1.00 51.44 O ATOM 630 CB GLU A 42 -20.404 0.393 -10.018 1.00 0.10 C ATOM 631 CG GLU A 42 -21.331 1.568 -9.731 1.00 5.43 C ATOM 632 CD GLU A 42 -22.801 1.194 -9.805 1.00 42.43 C ATOM 633 OE1 GLU A 42 -23.358 1.175 -10.920 1.00 20.21 O ATOM 634 OE2 GLU A 42 -23.406 0.915 -8.748 1.00 50.01 O ATOM 0 H GLU A 42 -20.132 0.650 -7.570 1.00 62.45 H new ATOM 0 HA GLU A 42 -21.591 -1.156 -9.080 1.00 63.31 H new ATOM 0 HB2 GLU A 42 -19.372 0.741 -9.981 1.00 0.10 H new ATOM 0 HB3 GLU A 42 -20.585 0.041 -11.034 1.00 0.10 H new ATOM 0 HG2 GLU A 42 -21.112 1.963 -8.739 1.00 5.43 H new ATOM 0 HG3 GLU A 42 -21.128 2.367 -10.445 1.00 5.43 H new ATOM 641 N LYS A 43 -18.410 -1.914 -8.948 1.00 51.10 N ATOM 642 CA LYS A 43 -17.385 -2.889 -9.329 1.00 22.41 C ATOM 643 C LYS A 43 -16.846 -3.642 -8.095 1.00 0.21 C ATOM 644 O LYS A 43 -15.741 -4.175 -8.123 1.00 14.22 O ATOM 645 CB LYS A 43 -16.250 -2.150 -10.051 1.00 5.42 C ATOM 646 CG LYS A 43 -16.730 -1.279 -11.214 1.00 35.41 C ATOM 647 CD LYS A 43 -15.628 -0.367 -11.744 1.00 21.34 C ATOM 648 CE LYS A 43 -14.476 -1.153 -12.349 1.00 31.23 C ATOM 649 NZ LYS A 43 -14.905 -1.935 -13.535 1.00 3.31 N ATOM 0 H LYS A 43 -18.101 -1.234 -8.253 1.00 51.10 H new ATOM 0 HA LYS A 43 -17.824 -3.633 -9.994 1.00 22.41 H new ATOM 0 HB2 LYS A 43 -15.721 -1.524 -9.333 1.00 5.42 H new ATOM 0 HB3 LYS A 43 -15.533 -2.880 -10.426 1.00 5.42 H new ATOM 0 HG2 LYS A 43 -17.089 -1.918 -12.020 1.00 35.41 H new ATOM 0 HG3 LYS A 43 -17.575 -0.673 -10.887 1.00 35.41 H new ATOM 0 HD2 LYS A 43 -16.044 0.303 -12.496 1.00 21.34 H new ATOM 0 HD3 LYS A 43 -15.254 0.257 -10.933 1.00 21.34 H new ATOM 0 HE2 LYS A 43 -13.679 -0.467 -12.635 1.00 31.23 H new ATOM 0 HE3 LYS A 43 -14.063 -1.827 -11.599 1.00 31.23 H new ATOM 0 HZ1 LYS A 43 -14.067 -2.277 -14.047 1.00 3.31 H new ATOM 0 HZ2 LYS A 43 -15.478 -2.746 -13.227 1.00 3.31 H new ATOM 0 HZ3 LYS A 43 -15.471 -1.330 -14.163 1.00 3.31 H new ATOM 663 N LEU A 44 -17.670 -3.722 -7.042 1.00 61.32 N ATOM 664 CA LEU A 44 -17.280 -4.317 -5.739 1.00 1.52 C ATOM 665 C LEU A 44 -16.760 -5.773 -5.875 1.00 31.14 C ATOM 666 O LEU A 44 -16.168 -6.322 -4.945 1.00 65.40 O ATOM 667 CB LEU A 44 -18.503 -4.271 -4.789 1.00 10.20 C ATOM 668 CG LEU A 44 -18.222 -4.071 -3.278 1.00 32.45 C ATOM 669 CD1 LEU A 44 -17.545 -5.287 -2.650 1.00 43.33 C ATOM 670 CD2 LEU A 44 -17.391 -2.813 -3.048 1.00 71.41 C ATOM 0 H LEU A 44 -18.630 -3.378 -7.061 1.00 61.32 H new ATOM 0 HA LEU A 44 -16.454 -3.732 -5.333 1.00 1.52 H new ATOM 0 HB2 LEU A 44 -19.157 -3.464 -5.120 1.00 10.20 H new ATOM 0 HB3 LEU A 44 -19.058 -5.201 -4.909 1.00 10.20 H new ATOM 0 HG LEU A 44 -19.186 -3.951 -2.785 1.00 32.45 H new ATOM 0 HD11 LEU A 44 -17.369 -5.099 -1.591 1.00 43.33 H new ATOM 0 HD12 LEU A 44 -18.189 -6.160 -2.761 1.00 43.33 H new ATOM 0 HD13 LEU A 44 -16.594 -5.472 -3.149 1.00 43.33 H new ATOM 0 HD21 LEU A 44 -17.204 -2.690 -1.981 1.00 71.41 H new ATOM 0 HD22 LEU A 44 -16.441 -2.903 -3.575 1.00 71.41 H new ATOM 0 HD23 LEU A 44 -17.933 -1.945 -3.424 1.00 71.41 H new ATOM 682 N THR A 45 -16.978 -6.384 -7.037 1.00 42.32 N ATOM 683 CA THR A 45 -16.591 -7.786 -7.280 1.00 32.20 C ATOM 684 C THR A 45 -15.079 -8.039 -7.086 1.00 74.55 C ATOM 685 O THR A 45 -14.303 -7.120 -6.812 1.00 10.02 O ATOM 686 CB THR A 45 -16.998 -8.232 -8.708 1.00 43.30 C ATOM 687 OG1 THR A 45 -16.723 -9.629 -8.898 1.00 65.54 O ATOM 688 CG2 THR A 45 -16.265 -7.417 -9.773 1.00 50.31 C ATOM 0 H THR A 45 -17.424 -5.932 -7.836 1.00 42.32 H new ATOM 0 HA THR A 45 -17.126 -8.375 -6.536 1.00 32.20 H new ATOM 0 HB THR A 45 -18.069 -8.058 -8.813 1.00 43.30 H new ATOM 0 HG1 THR A 45 -16.987 -9.894 -9.804 1.00 65.54 H new ATOM 0 HG21 THR A 45 -16.572 -7.753 -10.763 1.00 50.31 H new ATOM 0 HG22 THR A 45 -16.510 -6.361 -9.656 1.00 50.31 H new ATOM 0 HG23 THR A 45 -15.190 -7.554 -9.660 1.00 50.31 H new ATOM 696 N GLU A 46 -14.674 -9.299 -7.259 1.00 64.31 N ATOM 697 CA GLU A 46 -13.278 -9.734 -7.057 1.00 52.45 C ATOM 698 C GLU A 46 -12.263 -8.810 -7.757 1.00 25.35 C ATOM 699 O GLU A 46 -11.175 -8.562 -7.234 1.00 1.51 O ATOM 700 CB GLU A 46 -13.118 -11.173 -7.577 1.00 34.41 C ATOM 701 CG GLU A 46 -11.690 -11.724 -7.526 1.00 34.45 C ATOM 702 CD GLU A 46 -11.130 -11.838 -6.114 1.00 34.23 C ATOM 703 OE1 GLU A 46 -11.872 -12.263 -5.207 1.00 44.12 O ATOM 704 OE2 GLU A 46 -9.931 -11.542 -5.916 1.00 74.02 O ATOM 0 H GLU A 46 -15.300 -10.052 -7.543 1.00 64.31 H new ATOM 0 HA GLU A 46 -13.068 -9.687 -5.989 1.00 52.45 H new ATOM 0 HB2 GLU A 46 -13.765 -11.828 -6.994 1.00 34.41 H new ATOM 0 HB3 GLU A 46 -13.470 -11.212 -8.608 1.00 34.41 H new ATOM 0 HG2 GLU A 46 -11.672 -12.708 -7.995 1.00 34.45 H new ATOM 0 HG3 GLU A 46 -11.039 -11.078 -8.115 1.00 34.45 H new ATOM 711 N GLU A 47 -12.625 -8.295 -8.929 1.00 14.22 N ATOM 712 CA GLU A 47 -11.750 -7.388 -9.686 1.00 33.23 C ATOM 713 C GLU A 47 -11.327 -6.154 -8.862 1.00 73.01 C ATOM 714 O GLU A 47 -10.209 -5.654 -9.004 1.00 24.32 O ATOM 715 CB GLU A 47 -12.436 -6.965 -10.991 1.00 63.33 C ATOM 716 CG GLU A 47 -12.389 -8.030 -12.087 1.00 44.00 C ATOM 717 CD GLU A 47 -12.897 -9.392 -11.629 1.00 34.25 C ATOM 718 OE1 GLU A 47 -14.125 -9.556 -11.497 1.00 15.32 O ATOM 719 OE2 GLU A 47 -12.065 -10.300 -11.394 1.00 54.24 O ATOM 0 H GLU A 47 -13.519 -8.488 -9.381 1.00 14.22 H new ATOM 0 HA GLU A 47 -10.836 -7.933 -9.922 1.00 33.23 H new ATOM 0 HB2 GLU A 47 -13.477 -6.720 -10.780 1.00 63.33 H new ATOM 0 HB3 GLU A 47 -11.963 -6.055 -11.361 1.00 63.33 H new ATOM 0 HG2 GLU A 47 -12.985 -7.694 -12.935 1.00 44.00 H new ATOM 0 HG3 GLU A 47 -11.363 -8.133 -12.440 1.00 44.00 H new ATOM 726 N TYR A 48 -12.215 -5.662 -8.000 1.00 22.12 N ATOM 727 CA TYR A 48 -11.872 -4.551 -7.101 1.00 11.42 C ATOM 728 C TYR A 48 -11.006 -5.048 -5.931 1.00 54.42 C ATOM 729 O TYR A 48 -10.264 -4.279 -5.319 1.00 43.15 O ATOM 730 CB TYR A 48 -13.142 -3.848 -6.575 1.00 34.40 C ATOM 731 CG TYR A 48 -13.131 -2.341 -6.786 1.00 74.53 C ATOM 732 CD1 TYR A 48 -12.599 -1.483 -5.829 1.00 52.50 C ATOM 733 CD2 TYR A 48 -13.642 -1.778 -7.951 1.00 71.31 C ATOM 734 CE1 TYR A 48 -12.575 -0.115 -6.029 1.00 32.44 C ATOM 735 CE2 TYR A 48 -13.626 -0.409 -8.157 1.00 45.11 C ATOM 736 CZ TYR A 48 -13.091 0.418 -7.194 1.00 73.32 C ATOM 737 OH TYR A 48 -13.062 1.782 -7.398 1.00 52.33 O ATOM 0 H TYR A 48 -13.170 -6.008 -7.902 1.00 22.12 H new ATOM 0 HA TYR A 48 -11.297 -3.823 -7.673 1.00 11.42 H new ATOM 0 HB2 TYR A 48 -14.015 -4.271 -7.073 1.00 34.40 H new ATOM 0 HB3 TYR A 48 -13.250 -4.057 -5.511 1.00 34.40 H new ATOM 0 HD1 TYR A 48 -12.198 -1.893 -4.914 1.00 52.50 H new ATOM 0 HD2 TYR A 48 -14.060 -2.422 -8.710 1.00 71.31 H new ATOM 0 HE1 TYR A 48 -12.154 0.535 -5.276 1.00 32.44 H new ATOM 0 HE2 TYR A 48 -14.031 0.008 -9.067 1.00 45.11 H new ATOM 0 HH TYR A 48 -12.287 2.165 -6.936 1.00 52.33 H new ATOM 747 N PHE A 49 -11.103 -6.343 -5.637 1.00 21.12 N ATOM 748 CA PHE A 49 -10.358 -6.954 -4.531 1.00 43.32 C ATOM 749 C PHE A 49 -8.985 -7.498 -4.988 1.00 42.34 C ATOM 750 O PHE A 49 -8.230 -8.056 -4.190 1.00 5.12 O ATOM 751 CB PHE A 49 -11.198 -8.076 -3.897 1.00 43.20 C ATOM 752 CG PHE A 49 -10.621 -8.629 -2.614 1.00 71.51 C ATOM 753 CD1 PHE A 49 -10.639 -7.873 -1.450 1.00 52.02 C ATOM 754 CD2 PHE A 49 -10.068 -9.903 -2.571 1.00 24.31 C ATOM 755 CE1 PHE A 49 -10.117 -8.374 -0.272 1.00 35.42 C ATOM 756 CE2 PHE A 49 -9.544 -10.406 -1.395 1.00 65.52 C ATOM 757 CZ PHE A 49 -9.569 -9.641 -0.244 1.00 53.13 C ATOM 0 H PHE A 49 -11.694 -6.996 -6.152 1.00 21.12 H new ATOM 0 HA PHE A 49 -10.165 -6.180 -3.788 1.00 43.32 H new ATOM 0 HB2 PHE A 49 -12.200 -7.697 -3.698 1.00 43.20 H new ATOM 0 HB3 PHE A 49 -11.301 -8.889 -4.616 1.00 43.20 H new ATOM 0 HD1 PHE A 49 -11.066 -6.881 -1.465 1.00 52.02 H new ATOM 0 HD2 PHE A 49 -10.047 -10.507 -3.466 1.00 24.31 H new ATOM 0 HE1 PHE A 49 -10.138 -7.775 0.626 1.00 35.42 H new ATOM 0 HE2 PHE A 49 -9.115 -11.397 -1.375 1.00 65.52 H new ATOM 0 HZ PHE A 49 -9.161 -10.034 0.676 1.00 53.13 H new ATOM 767 N ASN A 50 -8.655 -7.346 -6.269 1.00 41.54 N ATOM 768 CA ASN A 50 -7.335 -7.774 -6.767 1.00 32.04 C ATOM 769 C ASN A 50 -6.535 -6.620 -7.410 1.00 3.10 C ATOM 770 O ASN A 50 -5.348 -6.453 -7.132 1.00 34.11 O ATOM 771 CB ASN A 50 -7.479 -8.965 -7.739 1.00 5.21 C ATOM 772 CG ASN A 50 -8.387 -8.694 -8.930 1.00 52.31 C ATOM 773 OD1 ASN A 50 -8.452 -7.593 -9.456 1.00 0.14 O ATOM 774 ND2 ASN A 50 -9.108 -9.706 -9.367 1.00 4.44 N ATOM 0 H ASN A 50 -9.266 -6.938 -6.976 1.00 41.54 H new ATOM 0 HA ASN A 50 -6.759 -8.100 -5.901 1.00 32.04 H new ATOM 0 HB2 ASN A 50 -6.490 -9.241 -8.106 1.00 5.21 H new ATOM 0 HB3 ASN A 50 -7.866 -9.823 -7.189 1.00 5.21 H new ATOM 0 HD21 ASN A 50 -9.737 -9.579 -10.160 1.00 4.44 H new ATOM 0 HD22 ASN A 50 -9.037 -10.616 -8.912 1.00 4.44 H new ATOM 781 N ALA A 51 -7.190 -5.807 -8.239 1.00 23.03 N ATOM 782 CA ALA A 51 -6.496 -4.772 -9.025 1.00 62.05 C ATOM 783 C ALA A 51 -5.962 -3.604 -8.175 1.00 53.02 C ATOM 784 O ALA A 51 -4.948 -3.005 -8.521 1.00 53.35 O ATOM 785 CB ALA A 51 -7.417 -4.247 -10.122 1.00 21.24 C ATOM 0 H ALA A 51 -8.199 -5.840 -8.387 1.00 23.03 H new ATOM 0 HA ALA A 51 -5.622 -5.252 -9.465 1.00 62.05 H new ATOM 0 HB1 ALA A 51 -6.897 -3.482 -10.699 1.00 21.24 H new ATOM 0 HB2 ALA A 51 -7.702 -5.067 -10.781 1.00 21.24 H new ATOM 0 HB3 ALA A 51 -8.311 -3.816 -9.671 1.00 21.24 H new ATOM 791 N VAL A 52 -6.636 -3.274 -7.071 1.00 3.00 N ATOM 792 CA VAL A 52 -6.224 -2.128 -6.234 1.00 23.30 C ATOM 793 C VAL A 52 -5.833 -2.545 -4.802 1.00 13.41 C ATOM 794 O VAL A 52 -5.746 -1.703 -3.911 1.00 72.01 O ATOM 795 CB VAL A 52 -7.350 -1.057 -6.149 1.00 65.44 C ATOM 796 CG1 VAL A 52 -7.654 -0.467 -7.524 1.00 13.04 C ATOM 797 CG2 VAL A 52 -8.616 -1.643 -5.521 1.00 15.01 C ATOM 0 H VAL A 52 -7.460 -3.772 -6.733 1.00 3.00 H new ATOM 0 HA VAL A 52 -5.345 -1.708 -6.723 1.00 23.30 H new ATOM 0 HB VAL A 52 -6.993 -0.251 -5.508 1.00 65.44 H new ATOM 0 HG11 VAL A 52 -8.444 0.278 -7.434 1.00 13.04 H new ATOM 0 HG12 VAL A 52 -6.756 0.003 -7.925 1.00 13.04 H new ATOM 0 HG13 VAL A 52 -7.979 -1.261 -8.197 1.00 13.04 H new ATOM 0 HG21 VAL A 52 -9.388 -0.875 -5.473 1.00 15.01 H new ATOM 0 HG22 VAL A 52 -8.971 -2.476 -6.128 1.00 15.01 H new ATOM 0 HG23 VAL A 52 -8.393 -1.996 -4.514 1.00 15.01 H new ATOM 807 N ASN A 53 -5.588 -3.838 -4.579 1.00 5.13 N ATOM 808 CA ASN A 53 -5.323 -4.348 -3.218 1.00 64.43 C ATOM 809 C ASN A 53 -3.838 -4.667 -2.978 1.00 11.20 C ATOM 810 O ASN A 53 -3.493 -5.366 -2.022 1.00 4.55 O ATOM 811 CB ASN A 53 -6.158 -5.606 -2.950 1.00 4.52 C ATOM 812 CG ASN A 53 -7.653 -5.336 -2.887 1.00 70.31 C ATOM 813 OD1 ASN A 53 -8.144 -4.409 -3.684 1.00 61.02 O flip ATOM 814 ND2 ASN A 53 -8.372 -5.971 -2.133 1.00 52.22 N flip ATOM 0 H ASN A 53 -5.566 -4.550 -5.309 1.00 5.13 H new ATOM 0 HA ASN A 53 -5.605 -3.552 -2.529 1.00 64.43 H new ATOM 0 HB2 ASN A 53 -5.961 -6.338 -3.734 1.00 4.52 H new ATOM 0 HB3 ASN A 53 -5.837 -6.053 -2.009 1.00 4.52 H new ATOM 0 HD21 ASN A 53 -7.970 -6.684 -1.525 1.00 52.22 H new ATOM 0 HD22 ASN A 53 -9.375 -5.789 -2.111 1.00 52.22 H new ATOM 821 N TYR A 54 -2.956 -4.137 -3.817 1.00 1.05 N ATOM 822 CA TYR A 54 -1.521 -4.429 -3.699 1.00 24.13 C ATOM 823 C TYR A 54 -0.659 -3.192 -3.985 1.00 3.52 C ATOM 824 O TYR A 54 -1.150 -2.175 -4.478 1.00 2.22 O ATOM 825 CB TYR A 54 -1.131 -5.572 -4.653 1.00 3.44 C ATOM 826 CG TYR A 54 -1.241 -5.212 -6.126 1.00 3.15 C ATOM 827 CD1 TYR A 54 -2.470 -5.205 -6.772 1.00 53.02 C ATOM 828 CD2 TYR A 54 -0.113 -4.861 -6.863 1.00 63.30 C ATOM 829 CE1 TYR A 54 -2.574 -4.864 -8.106 1.00 13.40 C ATOM 830 CE2 TYR A 54 -0.210 -4.515 -8.198 1.00 21.14 C ATOM 831 CZ TYR A 54 -1.443 -4.517 -8.815 1.00 52.11 C ATOM 832 OH TYR A 54 -1.545 -4.171 -10.144 1.00 65.41 O ATOM 0 H TYR A 54 -3.200 -3.508 -4.582 1.00 1.05 H new ATOM 0 HA TYR A 54 -1.333 -4.733 -2.669 1.00 24.13 H new ATOM 0 HB2 TYR A 54 -0.106 -5.876 -4.439 1.00 3.44 H new ATOM 0 HB3 TYR A 54 -1.768 -6.433 -4.451 1.00 3.44 H new ATOM 0 HD1 TYR A 54 -3.360 -5.471 -6.221 1.00 53.02 H new ATOM 0 HD2 TYR A 54 0.855 -4.859 -6.383 1.00 63.30 H new ATOM 0 HE1 TYR A 54 -3.538 -4.869 -8.593 1.00 13.40 H new ATOM 0 HE2 TYR A 54 0.675 -4.245 -8.755 1.00 21.14 H new ATOM 0 HH TYR A 54 -0.656 -3.953 -10.494 1.00 65.41 H new ATOM 842 N ALA A 55 0.629 -3.293 -3.675 1.00 61.22 N ATOM 843 CA ALA A 55 1.586 -2.212 -3.933 1.00 64.51 C ATOM 844 C ALA A 55 2.890 -2.754 -4.533 1.00 24.20 C ATOM 845 O ALA A 55 3.334 -3.847 -4.185 1.00 70.23 O ATOM 846 CB ALA A 55 1.872 -1.450 -2.643 1.00 13.02 C ATOM 0 H ALA A 55 1.041 -4.119 -3.241 1.00 61.22 H new ATOM 0 HA ALA A 55 1.143 -1.531 -4.660 1.00 64.51 H new ATOM 0 HB1 ALA A 55 2.584 -0.649 -2.844 1.00 13.02 H new ATOM 0 HB2 ALA A 55 0.945 -1.024 -2.259 1.00 13.02 H new ATOM 0 HB3 ALA A 55 2.292 -2.132 -1.903 1.00 13.02 H new ATOM 852 N GLU A 56 3.494 -1.987 -5.439 1.00 32.02 N ATOM 853 CA GLU A 56 4.770 -2.364 -6.059 1.00 51.20 C ATOM 854 C GLU A 56 5.954 -1.692 -5.346 1.00 65.35 C ATOM 855 O GLU A 56 6.106 -0.469 -5.394 1.00 12.52 O ATOM 856 CB GLU A 56 4.787 -1.984 -7.548 1.00 24.25 C ATOM 857 CG GLU A 56 3.756 -2.725 -8.397 1.00 52.11 C ATOM 858 CD GLU A 56 3.903 -2.426 -9.884 1.00 41.00 C ATOM 859 OE1 GLU A 56 4.784 -3.028 -10.533 1.00 61.34 O ATOM 860 OE2 GLU A 56 3.140 -1.593 -10.412 1.00 34.22 O ATOM 0 H GLU A 56 3.120 -1.095 -5.764 1.00 32.02 H new ATOM 0 HA GLU A 56 4.871 -3.445 -5.964 1.00 51.20 H new ATOM 0 HB2 GLU A 56 4.613 -0.912 -7.639 1.00 24.25 H new ATOM 0 HB3 GLU A 56 5.781 -2.181 -7.950 1.00 24.25 H new ATOM 0 HG2 GLU A 56 3.858 -3.798 -8.233 1.00 52.11 H new ATOM 0 HG3 GLU A 56 2.754 -2.447 -8.071 1.00 52.11 H new ATOM 867 N ILE A 57 6.786 -2.500 -4.691 1.00 70.21 N ATOM 868 CA ILE A 57 7.967 -2.000 -3.974 1.00 22.04 C ATOM 869 C ILE A 57 9.264 -2.428 -4.689 1.00 23.02 C ATOM 870 O ILE A 57 9.324 -3.502 -5.297 1.00 55.21 O ATOM 871 CB ILE A 57 8.011 -2.518 -2.502 1.00 54.24 C ATOM 872 CG1 ILE A 57 6.717 -2.162 -1.737 1.00 33.11 C ATOM 873 CG2 ILE A 57 9.227 -1.954 -1.763 1.00 31.23 C ATOM 874 CD1 ILE A 57 5.544 -3.074 -2.036 1.00 23.23 C ATOM 0 H ILE A 57 6.666 -3.512 -4.640 1.00 70.21 H new ATOM 0 HA ILE A 57 7.892 -0.913 -3.964 1.00 22.04 H new ATOM 0 HB ILE A 57 8.094 -3.604 -2.543 1.00 54.24 H new ATOM 0 HG12 ILE A 57 6.922 -2.192 -0.667 1.00 33.11 H new ATOM 0 HG13 ILE A 57 6.436 -1.137 -1.979 1.00 33.11 H new ATOM 0 HG21 ILE A 57 9.237 -2.329 -0.739 1.00 31.23 H new ATOM 0 HG22 ILE A 57 10.139 -2.266 -2.272 1.00 31.23 H new ATOM 0 HG23 ILE A 57 9.172 -0.865 -1.750 1.00 31.23 H new ATOM 0 HD11 ILE A 57 4.677 -2.754 -1.458 1.00 23.23 H new ATOM 0 HD12 ILE A 57 5.308 -3.027 -3.099 1.00 23.23 H new ATOM 0 HD13 ILE A 57 5.802 -4.098 -1.766 1.00 23.23 H new ATOM 886 N ASN A 58 10.294 -1.579 -4.622 1.00 33.30 N ATOM 887 CA ASN A 58 11.610 -1.900 -5.193 1.00 3.43 C ATOM 888 C ASN A 58 12.263 -3.076 -4.445 1.00 63.23 C ATOM 889 O ASN A 58 12.132 -3.194 -3.229 1.00 21.53 O ATOM 890 CB ASN A 58 12.518 -0.666 -5.142 1.00 10.42 C ATOM 891 CG ASN A 58 13.903 -0.952 -5.692 1.00 4.12 C ATOM 892 OD1 ASN A 58 14.823 -1.302 -4.957 1.00 71.42 O ATOM 893 ND2 ASN A 58 14.067 -0.816 -6.992 1.00 4.12 N ATOM 0 H ASN A 58 10.244 -0.662 -4.178 1.00 33.30 H new ATOM 0 HA ASN A 58 11.471 -2.197 -6.233 1.00 3.43 H new ATOM 0 HB2 ASN A 58 12.062 0.143 -5.713 1.00 10.42 H new ATOM 0 HB3 ASN A 58 12.602 -0.321 -4.112 1.00 10.42 H new ATOM 0 HD21 ASN A 58 14.977 -1.003 -7.414 1.00 4.12 H new ATOM 0 HD22 ASN A 58 13.284 -0.524 -7.577 1.00 4.12 H new ATOM 900 N GLU A 59 12.971 -3.940 -5.172 1.00 21.21 N ATOM 901 CA GLU A 59 13.544 -5.157 -4.580 1.00 41.52 C ATOM 902 C GLU A 59 14.504 -4.866 -3.409 1.00 34.10 C ATOM 903 O GLU A 59 14.517 -5.602 -2.421 1.00 61.24 O ATOM 904 CB GLU A 59 14.253 -6.003 -5.644 1.00 51.43 C ATOM 905 CG GLU A 59 14.878 -7.282 -5.082 1.00 54.44 C ATOM 906 CD GLU A 59 15.223 -8.299 -6.156 1.00 41.34 C ATOM 907 OE1 GLU A 59 16.287 -8.167 -6.794 1.00 51.33 O ATOM 908 OE2 GLU A 59 14.424 -9.239 -6.371 1.00 55.33 O ATOM 0 H GLU A 59 13.163 -3.824 -6.167 1.00 21.21 H new ATOM 0 HA GLU A 59 12.704 -5.719 -4.172 1.00 41.52 H new ATOM 0 HB2 GLU A 59 13.538 -6.268 -6.423 1.00 51.43 H new ATOM 0 HB3 GLU A 59 15.031 -5.403 -6.116 1.00 51.43 H new ATOM 0 HG2 GLU A 59 15.782 -7.025 -4.530 1.00 54.44 H new ATOM 0 HG3 GLU A 59 14.187 -7.734 -4.370 1.00 54.44 H new ATOM 915 N GLU A 60 15.306 -3.807 -3.510 1.00 51.24 N ATOM 916 CA GLU A 60 16.202 -3.433 -2.406 1.00 33.10 C ATOM 917 C GLU A 60 15.404 -3.117 -1.133 1.00 75.01 C ATOM 918 O GLU A 60 15.720 -3.609 -0.046 1.00 52.12 O ATOM 919 CB GLU A 60 17.085 -2.234 -2.779 1.00 2.13 C ATOM 920 CG GLU A 60 18.109 -2.527 -3.870 1.00 4.54 C ATOM 921 CD GLU A 60 19.163 -1.436 -3.977 1.00 61.32 C ATOM 922 OE1 GLU A 60 18.927 -0.441 -4.690 1.00 22.25 O ATOM 923 OE2 GLU A 60 20.227 -1.568 -3.331 1.00 22.02 O ATOM 0 H GLU A 60 15.358 -3.199 -4.328 1.00 51.24 H new ATOM 0 HA GLU A 60 16.849 -4.289 -2.214 1.00 33.10 H new ATOM 0 HB2 GLU A 60 16.446 -1.414 -3.107 1.00 2.13 H new ATOM 0 HB3 GLU A 60 17.609 -1.892 -1.887 1.00 2.13 H new ATOM 0 HG2 GLU A 60 18.595 -3.480 -3.663 1.00 4.54 H new ATOM 0 HG3 GLU A 60 17.598 -2.631 -4.827 1.00 4.54 H new ATOM 930 N ASP A 61 14.364 -2.299 -1.275 1.00 31.12 N ATOM 931 CA ASP A 61 13.470 -1.986 -0.157 1.00 53.55 C ATOM 932 C ASP A 61 12.733 -3.245 0.322 1.00 63.15 C ATOM 933 O ASP A 61 12.529 -3.443 1.518 1.00 11.52 O ATOM 934 CB ASP A 61 12.459 -0.913 -0.567 1.00 72.24 C ATOM 935 CG ASP A 61 13.134 0.379 -0.987 1.00 53.12 C ATOM 936 OD1 ASP A 61 13.945 0.915 -0.200 1.00 3.34 O ATOM 937 OD2 ASP A 61 12.872 0.853 -2.109 1.00 12.14 O ATOM 0 H ASP A 61 14.117 -1.840 -2.152 1.00 31.12 H new ATOM 0 HA ASP A 61 14.077 -1.606 0.665 1.00 53.55 H new ATOM 0 HB2 ASP A 61 11.849 -1.286 -1.389 1.00 72.24 H new ATOM 0 HB3 ASP A 61 11.784 -0.715 0.266 1.00 72.24 H new ATOM 942 N TRP A 62 12.351 -4.091 -0.631 1.00 44.51 N ATOM 943 CA TRP A 62 11.714 -5.383 -0.347 1.00 5.43 C ATOM 944 C TRP A 62 12.560 -6.213 0.634 1.00 55.45 C ATOM 945 O TRP A 62 12.067 -6.703 1.654 1.00 34.14 O ATOM 946 CB TRP A 62 11.533 -6.144 -1.670 1.00 74.40 C ATOM 947 CG TRP A 62 10.827 -7.461 -1.545 1.00 22.01 C ATOM 948 CD1 TRP A 62 11.374 -8.660 -1.186 1.00 61.31 C ATOM 949 CD2 TRP A 62 9.443 -7.712 -1.798 1.00 4.54 C ATOM 950 NE1 TRP A 62 10.411 -9.638 -1.194 1.00 44.30 N ATOM 951 CE2 TRP A 62 9.218 -9.080 -1.567 1.00 10.02 C ATOM 952 CE3 TRP A 62 8.372 -6.911 -2.196 1.00 51.10 C ATOM 953 CZ2 TRP A 62 7.966 -9.662 -1.716 1.00 24.35 C ATOM 954 CZ3 TRP A 62 7.130 -7.492 -2.345 1.00 14.21 C ATOM 955 CH2 TRP A 62 6.936 -8.855 -2.108 1.00 35.25 C ATOM 0 H TRP A 62 12.473 -3.903 -1.626 1.00 44.51 H new ATOM 0 HA TRP A 62 10.744 -5.210 0.120 1.00 5.43 H new ATOM 0 HB2 TRP A 62 10.976 -5.513 -2.363 1.00 74.40 H new ATOM 0 HB3 TRP A 62 12.514 -6.314 -2.113 1.00 74.40 H new ATOM 0 HD1 TRP A 62 12.412 -8.816 -0.933 1.00 61.31 H new ATOM 0 HE1 TRP A 62 10.560 -10.620 -0.960 1.00 44.30 H new ATOM 0 HE3 TRP A 62 8.513 -5.857 -2.384 1.00 51.10 H new ATOM 0 HZ2 TRP A 62 7.812 -10.714 -1.529 1.00 24.35 H new ATOM 0 HZ3 TRP A 62 6.292 -6.882 -2.650 1.00 14.21 H new ATOM 0 HH2 TRP A 62 5.951 -9.279 -2.237 1.00 35.25 H new ATOM 966 N ASN A 63 13.841 -6.361 0.310 1.00 21.11 N ATOM 967 CA ASN A 63 14.782 -7.087 1.165 1.00 15.45 C ATOM 968 C ASN A 63 15.037 -6.333 2.481 1.00 35.14 C ATOM 969 O ASN A 63 15.199 -6.943 3.540 1.00 21.24 O ATOM 970 CB ASN A 63 16.101 -7.316 0.418 1.00 51.34 C ATOM 971 CG ASN A 63 15.935 -8.243 -0.775 1.00 62.25 C ATOM 972 OD1 ASN A 63 15.115 -9.158 -0.760 1.00 1.25 O ATOM 973 ND2 ASN A 63 16.704 -8.016 -1.820 1.00 21.14 N ATOM 0 H ASN A 63 14.256 -5.986 -0.543 1.00 21.11 H new ATOM 0 HA ASN A 63 14.340 -8.052 1.414 1.00 15.45 H new ATOM 0 HB2 ASN A 63 16.495 -6.358 0.079 1.00 51.34 H new ATOM 0 HB3 ASN A 63 16.836 -7.738 1.104 1.00 51.34 H new ATOM 0 HD21 ASN A 63 16.628 -8.608 -2.647 1.00 21.14 H new ATOM 0 HD22 ASN A 63 17.375 -7.248 -1.802 1.00 21.14 H new ATOM 980 N ALA A 64 15.062 -5.000 2.408 1.00 72.23 N ATOM 981 CA ALA A 64 15.243 -4.156 3.598 1.00 45.24 C ATOM 982 C ALA A 64 14.103 -4.352 4.610 1.00 13.31 C ATOM 983 O ALA A 64 14.324 -4.386 5.820 1.00 64.51 O ATOM 984 CB ALA A 64 15.333 -2.688 3.191 1.00 35.54 C ATOM 0 H ALA A 64 14.959 -4.479 1.537 1.00 72.23 H new ATOM 0 HA ALA A 64 16.173 -4.457 4.080 1.00 45.24 H new ATOM 0 HB1 ALA A 64 15.467 -2.072 4.080 1.00 35.54 H new ATOM 0 HB2 ALA A 64 16.181 -2.548 2.521 1.00 35.54 H new ATOM 0 HB3 ALA A 64 14.415 -2.395 2.681 1.00 35.54 H new ATOM 990 N LEU A 65 12.884 -4.477 4.100 1.00 12.44 N ATOM 991 CA LEU A 65 11.701 -4.695 4.940 1.00 54.43 C ATOM 992 C LEU A 65 11.580 -6.164 5.377 1.00 21.20 C ATOM 993 O LEU A 65 10.849 -6.485 6.317 1.00 3.23 O ATOM 994 CB LEU A 65 10.439 -4.275 4.170 1.00 44.25 C ATOM 995 CG LEU A 65 10.394 -2.800 3.729 1.00 42.33 C ATOM 996 CD1 LEU A 65 9.218 -2.543 2.791 1.00 63.50 C ATOM 997 CD2 LEU A 65 10.325 -1.872 4.937 1.00 35.25 C ATOM 0 H LEU A 65 12.683 -4.431 3.101 1.00 12.44 H new ATOM 0 HA LEU A 65 11.808 -4.087 5.839 1.00 54.43 H new ATOM 0 HB2 LEU A 65 10.348 -4.904 3.285 1.00 44.25 H new ATOM 0 HB3 LEU A 65 9.569 -4.476 4.795 1.00 44.25 H new ATOM 0 HG LEU A 65 11.315 -2.588 3.186 1.00 42.33 H new ATOM 0 HD11 LEU A 65 9.211 -1.494 2.496 1.00 63.50 H new ATOM 0 HD12 LEU A 65 9.316 -3.169 1.904 1.00 63.50 H new ATOM 0 HD13 LEU A 65 8.286 -2.782 3.302 1.00 63.50 H new ATOM 0 HD21 LEU A 65 10.294 -0.836 4.599 1.00 35.25 H new ATOM 0 HD22 LEU A 65 9.427 -2.092 5.514 1.00 35.25 H new ATOM 0 HD23 LEU A 65 11.205 -2.023 5.563 1.00 35.25 H new ATOM 1009 N GLY A 66 12.310 -7.049 4.700 1.00 35.42 N ATOM 1010 CA GLY A 66 12.168 -8.480 4.942 1.00 1.04 C ATOM 1011 C GLY A 66 10.803 -8.997 4.506 1.00 44.42 C ATOM 1012 O GLY A 66 10.069 -9.600 5.291 1.00 61.33 O ATOM 0 H GLY A 66 12.998 -6.803 3.988 1.00 35.42 H new ATOM 0 HA2 GLY A 66 12.949 -9.018 4.405 1.00 1.04 H new ATOM 0 HA3 GLY A 66 12.312 -8.685 6.003 1.00 1.04 H new ATOM 1016 N LEU A 67 10.448 -8.733 3.251 1.00 34.33 N ATOM 1017 CA LEU A 67 9.134 -9.107 2.717 1.00 3.21 C ATOM 1018 C LEU A 67 9.128 -10.498 2.059 1.00 61.14 C ATOM 1019 O LEU A 67 10.168 -11.038 1.671 1.00 35.34 O ATOM 1020 CB LEU A 67 8.659 -8.053 1.706 1.00 60.55 C ATOM 1021 CG LEU A 67 8.471 -6.638 2.272 1.00 72.31 C ATOM 1022 CD1 LEU A 67 8.053 -5.668 1.171 1.00 63.42 C ATOM 1023 CD2 LEU A 67 7.447 -6.644 3.403 1.00 65.10 C ATOM 0 H LEU A 67 11.052 -8.260 2.580 1.00 34.33 H new ATOM 0 HA LEU A 67 8.450 -9.151 3.565 1.00 3.21 H new ATOM 0 HB2 LEU A 67 9.379 -8.007 0.889 1.00 60.55 H new ATOM 0 HB3 LEU A 67 7.713 -8.384 1.279 1.00 60.55 H new ATOM 0 HG LEU A 67 9.426 -6.302 2.677 1.00 72.31 H new ATOM 0 HD11 LEU A 67 7.925 -4.671 1.593 1.00 63.42 H new ATOM 0 HD12 LEU A 67 8.823 -5.639 0.400 1.00 63.42 H new ATOM 0 HD13 LEU A 67 7.112 -5.999 0.732 1.00 63.42 H new ATOM 0 HD21 LEU A 67 7.328 -5.632 3.791 1.00 65.10 H new ATOM 0 HD22 LEU A 67 6.490 -7.003 3.025 1.00 65.10 H new ATOM 0 HD23 LEU A 67 7.791 -7.301 4.202 1.00 65.10 H new ATOM 1035 N GLN A 68 7.928 -11.056 1.936 1.00 55.32 N ATOM 1036 CA GLN A 68 7.702 -12.360 1.309 1.00 2.23 C ATOM 1037 C GLN A 68 6.591 -12.235 0.261 1.00 24.24 C ATOM 1038 O GLN A 68 5.507 -11.749 0.563 1.00 71.41 O ATOM 1039 CB GLN A 68 7.299 -13.391 2.372 1.00 24.25 C ATOM 1040 CG GLN A 68 7.101 -14.807 1.836 1.00 73.42 C ATOM 1041 CD GLN A 68 6.727 -15.801 2.924 1.00 70.44 C ATOM 1042 OE1 GLN A 68 7.589 -16.416 3.546 1.00 15.24 O ATOM 1043 NE2 GLN A 68 5.444 -15.962 3.171 1.00 3.31 N ATOM 0 H GLN A 68 7.073 -10.613 2.272 1.00 55.32 H new ATOM 0 HA GLN A 68 8.622 -12.691 0.827 1.00 2.23 H new ATOM 0 HB2 GLN A 68 8.065 -13.413 3.147 1.00 24.25 H new ATOM 0 HB3 GLN A 68 6.374 -13.063 2.846 1.00 24.25 H new ATOM 0 HG2 GLN A 68 6.320 -14.797 1.075 1.00 73.42 H new ATOM 0 HG3 GLN A 68 8.018 -15.137 1.348 1.00 73.42 H new ATOM 0 HE21 GLN A 68 4.752 -15.436 2.637 1.00 3.31 H new ATOM 0 HE22 GLN A 68 5.142 -16.612 3.896 1.00 3.31 H new ATOM 1052 N GLU A 69 6.856 -12.687 -0.957 1.00 64.44 N ATOM 1053 CA GLU A 69 5.936 -12.460 -2.082 1.00 44.51 C ATOM 1054 C GLU A 69 4.484 -12.861 -1.765 1.00 22.03 C ATOM 1055 O GLU A 69 4.111 -14.038 -1.828 1.00 73.24 O ATOM 1056 CB GLU A 69 6.442 -13.171 -3.338 1.00 50.14 C ATOM 1057 CG GLU A 69 7.735 -12.562 -3.872 1.00 70.54 C ATOM 1058 CD GLU A 69 8.172 -13.156 -5.201 1.00 10.43 C ATOM 1059 OE1 GLU A 69 7.487 -12.906 -6.215 1.00 20.14 O ATOM 1060 OE2 GLU A 69 9.204 -13.859 -5.240 1.00 54.13 O ATOM 0 H GLU A 69 7.696 -13.212 -1.199 1.00 64.44 H new ATOM 0 HA GLU A 69 5.920 -11.386 -2.265 1.00 44.51 H new ATOM 0 HB2 GLU A 69 6.606 -14.225 -3.114 1.00 50.14 H new ATOM 0 HB3 GLU A 69 5.676 -13.125 -4.112 1.00 50.14 H new ATOM 0 HG2 GLU A 69 7.602 -11.486 -3.988 1.00 70.54 H new ATOM 0 HG3 GLU A 69 8.528 -12.707 -3.138 1.00 70.54 H new ATOM 1067 N GLY A 70 3.679 -11.858 -1.418 1.00 21.14 N ATOM 1068 CA GLY A 70 2.277 -12.079 -1.074 1.00 12.51 C ATOM 1069 C GLY A 70 1.951 -11.801 0.396 1.00 31.11 C ATOM 1070 O GLY A 70 0.878 -12.179 0.873 1.00 45.51 O ATOM 0 H GLY A 70 3.975 -10.883 -1.368 1.00 21.14 H new ATOM 0 HA2 GLY A 70 1.654 -11.442 -1.702 1.00 12.51 H new ATOM 0 HA3 GLY A 70 2.014 -13.111 -1.306 1.00 12.51 H new ATOM 1074 N ASP A 71 2.862 -11.145 1.120 1.00 44.11 N ATOM 1075 CA ASP A 71 2.631 -10.821 2.534 1.00 51.34 C ATOM 1076 C ASP A 71 1.917 -9.463 2.716 1.00 23.10 C ATOM 1077 O ASP A 71 1.408 -8.878 1.757 1.00 42.35 O ATOM 1078 CB ASP A 71 3.950 -10.856 3.322 1.00 41.40 C ATOM 1079 CG ASP A 71 4.995 -9.868 2.830 1.00 55.41 C ATOM 1080 OD1 ASP A 71 4.812 -9.267 1.756 1.00 31.40 O ATOM 1081 OD2 ASP A 71 6.018 -9.704 3.526 1.00 42.25 O ATOM 0 H ASP A 71 3.761 -10.829 0.756 1.00 44.11 H new ATOM 0 HA ASP A 71 1.965 -11.586 2.934 1.00 51.34 H new ATOM 0 HB2 ASP A 71 3.739 -10.652 4.372 1.00 41.40 H new ATOM 0 HB3 ASP A 71 4.365 -11.863 3.270 1.00 41.40 H new ATOM 1086 N ARG A 72 1.868 -8.979 3.963 1.00 34.40 N ATOM 1087 CA ARG A 72 1.107 -7.765 4.302 1.00 25.24 C ATOM 1088 C ARG A 72 2.033 -6.580 4.631 1.00 5.23 C ATOM 1089 O ARG A 72 2.923 -6.687 5.481 1.00 21.32 O ATOM 1090 CB ARG A 72 0.178 -8.020 5.507 1.00 41.33 C ATOM 1091 CG ARG A 72 -0.891 -9.094 5.284 1.00 31.41 C ATOM 1092 CD ARG A 72 -0.305 -10.504 5.257 1.00 52.52 C ATOM 1093 NE ARG A 72 -1.332 -11.523 5.027 1.00 71.35 N ATOM 1094 CZ ARG A 72 -1.346 -12.334 4.002 1.00 72.21 C ATOM 1095 NH1 ARG A 72 -0.461 -12.232 3.065 1.00 3.42 N ATOM 1096 NH2 ARG A 72 -2.267 -13.232 3.902 1.00 10.44 N ATOM 0 H ARG A 72 2.346 -9.408 4.756 1.00 34.40 H new ATOM 0 HA ARG A 72 0.514 -7.512 3.423 1.00 25.24 H new ATOM 0 HB2 ARG A 72 0.789 -8.309 6.363 1.00 41.33 H new ATOM 0 HB3 ARG A 72 -0.317 -7.085 5.769 1.00 41.33 H new ATOM 0 HG2 ARG A 72 -1.638 -9.029 6.076 1.00 31.41 H new ATOM 0 HG3 ARG A 72 -1.406 -8.900 4.343 1.00 31.41 H new ATOM 0 HD2 ARG A 72 0.450 -10.567 4.473 1.00 52.52 H new ATOM 0 HD3 ARG A 72 0.199 -10.705 6.202 1.00 52.52 H new ATOM 0 HE ARG A 72 -2.085 -11.605 5.711 1.00 71.35 H new ATOM 0 HH11 ARG A 72 0.260 -11.512 3.120 1.00 3.42 H new ATOM 0 HH12 ARG A 72 -0.483 -12.871 2.271 1.00 3.42 H new ATOM 0 HH21 ARG A 72 -2.984 -13.309 4.623 1.00 10.44 H new ATOM 0 HH22 ARG A 72 -2.278 -13.865 3.102 1.00 10.44 H new ATOM 1110 N VAL A 73 1.808 -5.446 3.968 1.00 33.42 N ATOM 1111 CA VAL A 73 2.545 -4.211 4.264 1.00 63.52 C ATOM 1112 C VAL A 73 1.588 -3.054 4.593 1.00 74.24 C ATOM 1113 O VAL A 73 0.545 -2.890 3.954 1.00 43.41 O ATOM 1114 CB VAL A 73 3.467 -3.790 3.089 1.00 62.54 C ATOM 1115 CG1 VAL A 73 4.612 -4.784 2.913 1.00 13.05 C ATOM 1116 CG2 VAL A 73 2.667 -3.646 1.795 1.00 55.24 C ATOM 0 H VAL A 73 1.120 -5.354 3.220 1.00 33.42 H new ATOM 0 HA VAL A 73 3.165 -4.425 5.135 1.00 63.52 H new ATOM 0 HB VAL A 73 3.898 -2.818 3.329 1.00 62.54 H new ATOM 0 HG11 VAL A 73 5.244 -4.467 2.084 1.00 13.05 H new ATOM 0 HG12 VAL A 73 5.205 -4.822 3.827 1.00 13.05 H new ATOM 0 HG13 VAL A 73 4.206 -5.773 2.703 1.00 13.05 H new ATOM 0 HG21 VAL A 73 3.334 -3.350 0.986 1.00 55.24 H new ATOM 0 HG22 VAL A 73 2.198 -4.599 1.549 1.00 55.24 H new ATOM 0 HG23 VAL A 73 1.897 -2.886 1.926 1.00 55.24 H new ATOM 1126 N LYS A 74 1.943 -2.264 5.603 1.00 12.51 N ATOM 1127 CA LYS A 74 1.147 -1.093 5.983 1.00 11.43 C ATOM 1128 C LYS A 74 1.802 0.199 5.473 1.00 51.34 C ATOM 1129 O LYS A 74 2.976 0.460 5.735 1.00 22.40 O ATOM 1130 CB LYS A 74 0.954 -1.030 7.510 1.00 52.04 C ATOM 1131 CG LYS A 74 0.174 0.201 7.982 1.00 45.52 C ATOM 1132 CD LYS A 74 -0.107 0.183 9.485 1.00 41.25 C ATOM 1133 CE LYS A 74 -1.111 -0.897 9.872 1.00 3.24 C ATOM 1134 NZ LYS A 74 -1.416 -0.872 11.328 1.00 14.42 N ATOM 0 H LYS A 74 2.775 -2.410 6.174 1.00 12.51 H new ATOM 0 HA LYS A 74 0.166 -1.190 5.518 1.00 11.43 H new ATOM 0 HB2 LYS A 74 0.431 -1.928 7.839 1.00 52.04 H new ATOM 0 HB3 LYS A 74 1.932 -1.036 7.991 1.00 52.04 H new ATOM 0 HG2 LYS A 74 0.738 1.100 7.733 1.00 45.52 H new ATOM 0 HG3 LYS A 74 -0.771 0.257 7.441 1.00 45.52 H new ATOM 0 HD2 LYS A 74 0.826 0.019 10.025 1.00 41.25 H new ATOM 0 HD3 LYS A 74 -0.487 1.157 9.793 1.00 41.25 H new ATOM 0 HE2 LYS A 74 -2.032 -0.757 9.305 1.00 3.24 H new ATOM 0 HE3 LYS A 74 -0.715 -1.876 9.600 1.00 3.24 H new ATOM 0 HZ1 LYS A 74 -2.176 -1.551 11.535 1.00 14.42 H new ATOM 0 HZ2 LYS A 74 -0.564 -1.131 11.866 1.00 14.42 H new ATOM 0 HZ3 LYS A 74 -1.722 0.083 11.602 1.00 14.42 H new ATOM 1148 N VAL A 75 1.032 0.987 4.734 1.00 62.35 N ATOM 1149 CA VAL A 75 1.493 2.276 4.216 1.00 14.15 C ATOM 1150 C VAL A 75 0.867 3.406 5.037 1.00 25.12 C ATOM 1151 O VAL A 75 -0.342 3.407 5.277 1.00 20.23 O ATOM 1152 CB VAL A 75 1.124 2.452 2.721 1.00 42.14 C ATOM 1153 CG1 VAL A 75 1.682 3.764 2.169 1.00 52.14 C ATOM 1154 CG2 VAL A 75 1.618 1.260 1.899 1.00 11.32 C ATOM 0 H VAL A 75 0.073 0.755 4.475 1.00 62.35 H new ATOM 0 HA VAL A 75 2.579 2.309 4.300 1.00 14.15 H new ATOM 0 HB VAL A 75 0.038 2.493 2.643 1.00 42.14 H new ATOM 0 HG11 VAL A 75 1.409 3.862 1.118 1.00 52.14 H new ATOM 0 HG12 VAL A 75 1.268 4.601 2.732 1.00 52.14 H new ATOM 0 HG13 VAL A 75 2.768 3.766 2.263 1.00 52.14 H new ATOM 0 HG21 VAL A 75 1.349 1.403 0.852 1.00 11.32 H new ATOM 0 HG22 VAL A 75 2.702 1.181 1.988 1.00 11.32 H new ATOM 0 HG23 VAL A 75 1.156 0.345 2.271 1.00 11.32 H new ATOM 1164 N LYS A 76 1.685 4.355 5.482 1.00 75.32 N ATOM 1165 CA LYS A 76 1.231 5.395 6.411 1.00 44.51 C ATOM 1166 C LYS A 76 1.700 6.792 5.992 1.00 60.34 C ATOM 1167 O LYS A 76 2.870 7.007 5.682 1.00 2.32 O ATOM 1168 CB LYS A 76 1.742 5.064 7.815 1.00 64.04 C ATOM 1169 CG LYS A 76 1.182 3.750 8.357 1.00 45.33 C ATOM 1170 CD LYS A 76 2.177 3.016 9.237 1.00 72.34 C ATOM 1171 CE LYS A 76 2.484 3.780 10.519 1.00 44.04 C ATOM 1172 NZ LYS A 76 3.408 3.026 11.410 1.00 2.34 N ATOM 0 H LYS A 76 2.667 4.429 5.216 1.00 75.32 H new ATOM 0 HA LYS A 76 0.141 5.411 6.399 1.00 44.51 H new ATOM 0 HB2 LYS A 76 2.830 5.009 7.796 1.00 64.04 H new ATOM 0 HB3 LYS A 76 1.475 5.874 8.494 1.00 64.04 H new ATOM 0 HG2 LYS A 76 0.276 3.953 8.928 1.00 45.33 H new ATOM 0 HG3 LYS A 76 0.896 3.109 7.523 1.00 45.33 H new ATOM 0 HD2 LYS A 76 1.781 2.032 9.488 1.00 72.34 H new ATOM 0 HD3 LYS A 76 3.101 2.855 8.682 1.00 72.34 H new ATOM 0 HE2 LYS A 76 2.927 4.744 10.269 1.00 44.04 H new ATOM 0 HE3 LYS A 76 1.555 3.985 11.050 1.00 44.04 H new ATOM 0 HZ1 LYS A 76 3.918 3.692 12.025 1.00 2.34 H new ATOM 0 HZ2 LYS A 76 2.861 2.363 11.996 1.00 2.34 H new ATOM 0 HZ3 LYS A 76 4.091 2.495 10.833 1.00 2.34 H new ATOM 1186 N THR A 77 0.772 7.742 5.995 1.00 61.34 N ATOM 1187 CA THR A 77 1.061 9.123 5.573 1.00 3.22 C ATOM 1188 C THR A 77 0.380 10.147 6.487 1.00 1.42 C ATOM 1189 O THR A 77 -0.167 9.802 7.535 1.00 63.15 O ATOM 1190 CB THR A 77 0.585 9.403 4.125 1.00 21.24 C ATOM 1191 OG1 THR A 77 -0.850 9.426 4.077 1.00 42.23 O ATOM 1192 CG2 THR A 77 1.118 8.362 3.144 1.00 12.44 C ATOM 0 H THR A 77 -0.194 7.588 6.285 1.00 61.34 H new ATOM 0 HA THR A 77 2.145 9.224 5.632 1.00 3.22 H new ATOM 0 HB THR A 77 0.979 10.375 3.828 1.00 21.24 H new ATOM 0 HG1 THR A 77 -1.147 9.379 3.144 1.00 42.23 H new ATOM 0 HG21 THR A 77 0.762 8.593 2.140 1.00 12.44 H new ATOM 0 HG22 THR A 77 2.208 8.376 3.155 1.00 12.44 H new ATOM 0 HG23 THR A 77 0.765 7.373 3.436 1.00 12.44 H new ATOM 1200 N GLU A 78 0.432 11.414 6.082 1.00 2.13 N ATOM 1201 CA GLU A 78 -0.253 12.499 6.791 1.00 3.22 C ATOM 1202 C GLU A 78 -1.788 12.341 6.746 1.00 25.41 C ATOM 1203 O GLU A 78 -2.505 12.954 7.538 1.00 52.00 O ATOM 1204 CB GLU A 78 0.147 13.846 6.174 1.00 2.25 C ATOM 1205 CG GLU A 78 -0.158 13.941 4.682 1.00 60.20 C ATOM 1206 CD GLU A 78 0.285 15.256 4.064 1.00 40.13 C ATOM 1207 OE1 GLU A 78 1.495 15.416 3.807 1.00 2.33 O ATOM 1208 OE2 GLU A 78 -0.573 16.133 3.827 1.00 51.30 O ATOM 0 H GLU A 78 0.947 11.720 5.257 1.00 2.13 H new ATOM 0 HA GLU A 78 0.052 12.459 7.837 1.00 3.22 H new ATOM 0 HB2 GLU A 78 -0.376 14.647 6.696 1.00 2.25 H new ATOM 0 HB3 GLU A 78 1.214 14.007 6.331 1.00 2.25 H new ATOM 0 HG2 GLU A 78 0.335 13.119 4.164 1.00 60.20 H new ATOM 0 HG3 GLU A 78 -1.230 13.817 4.528 1.00 60.20 H new ATOM 1215 N PHE A 79 -2.279 11.527 5.810 1.00 13.35 N ATOM 1216 CA PHE A 79 -3.722 11.297 5.652 1.00 4.14 C ATOM 1217 C PHE A 79 -4.210 10.143 6.544 1.00 33.23 C ATOM 1218 O PHE A 79 -5.131 10.308 7.344 1.00 52.31 O ATOM 1219 CB PHE A 79 -4.049 11.002 4.179 1.00 22.51 C ATOM 1220 CG PHE A 79 -3.711 12.145 3.251 1.00 32.33 C ATOM 1221 CD1 PHE A 79 -4.595 13.201 3.082 1.00 63.42 C ATOM 1222 CD2 PHE A 79 -2.506 12.170 2.557 1.00 53.14 C ATOM 1223 CE1 PHE A 79 -4.286 14.254 2.242 1.00 55.30 C ATOM 1224 CE2 PHE A 79 -2.196 13.224 1.719 1.00 44.01 C ATOM 1225 CZ PHE A 79 -3.086 14.266 1.563 1.00 2.42 C ATOM 0 H PHE A 79 -1.699 11.013 5.147 1.00 13.35 H new ATOM 0 HA PHE A 79 -4.243 12.202 5.964 1.00 4.14 H new ATOM 0 HB2 PHE A 79 -3.502 10.113 3.864 1.00 22.51 H new ATOM 0 HB3 PHE A 79 -5.111 10.772 4.089 1.00 22.51 H new ATOM 0 HD1 PHE A 79 -5.535 13.200 3.613 1.00 63.42 H new ATOM 0 HD2 PHE A 79 -1.805 11.357 2.674 1.00 53.14 H new ATOM 0 HE1 PHE A 79 -4.985 15.068 2.117 1.00 55.30 H new ATOM 0 HE2 PHE A 79 -1.257 13.232 1.186 1.00 44.01 H new ATOM 0 HZ PHE A 79 -2.843 15.091 0.909 1.00 2.42 H new ATOM 1235 N GLY A 80 -3.589 8.977 6.398 1.00 3.23 N ATOM 1236 CA GLY A 80 -3.970 7.817 7.201 1.00 71.12 C ATOM 1237 C GLY A 80 -3.077 6.607 6.957 1.00 4.44 C ATOM 1238 O GLY A 80 -1.916 6.754 6.567 1.00 30.13 O ATOM 0 H GLY A 80 -2.828 8.809 5.740 1.00 3.23 H new ATOM 0 HA2 GLY A 80 -3.931 8.084 8.257 1.00 71.12 H new ATOM 0 HA3 GLY A 80 -5.003 7.551 6.978 1.00 71.12 H new ATOM 1242 N GLU A 81 -3.608 5.406 7.193 1.00 4.34 N ATOM 1243 CA GLU A 81 -2.851 4.171 6.960 1.00 4.14 C ATOM 1244 C GLU A 81 -3.713 3.098 6.276 1.00 53.23 C ATOM 1245 O GLU A 81 -4.938 3.093 6.395 1.00 62.01 O ATOM 1246 CB GLU A 81 -2.282 3.614 8.279 1.00 65.31 C ATOM 1247 CG GLU A 81 -3.327 3.090 9.265 1.00 2.32 C ATOM 1248 CD GLU A 81 -4.218 4.185 9.833 1.00 2.01 C ATOM 1249 OE1 GLU A 81 -3.761 4.918 10.735 1.00 51.11 O ATOM 1250 OE2 GLU A 81 -5.377 4.314 9.387 1.00 12.14 O ATOM 0 H GLU A 81 -4.555 5.261 7.544 1.00 4.34 H new ATOM 0 HA GLU A 81 -2.026 4.425 6.295 1.00 4.14 H new ATOM 0 HB2 GLU A 81 -1.588 2.806 8.045 1.00 65.31 H new ATOM 0 HB3 GLU A 81 -1.705 4.399 8.768 1.00 65.31 H new ATOM 0 HG2 GLU A 81 -3.949 2.348 8.765 1.00 2.32 H new ATOM 0 HG3 GLU A 81 -2.820 2.581 10.085 1.00 2.32 H new ATOM 1257 N VAL A 82 -3.060 2.191 5.554 1.00 41.33 N ATOM 1258 CA VAL A 82 -3.749 1.076 4.896 1.00 15.32 C ATOM 1259 C VAL A 82 -2.825 -0.144 4.767 1.00 33.10 C ATOM 1260 O VAL A 82 -1.615 0.001 4.588 1.00 12.35 O ATOM 1261 CB VAL A 82 -4.267 1.486 3.490 1.00 74.30 C ATOM 1262 CG1 VAL A 82 -3.106 1.789 2.540 1.00 73.44 C ATOM 1263 CG2 VAL A 82 -5.196 0.419 2.905 1.00 4.01 C ATOM 0 H VAL A 82 -2.051 2.204 5.407 1.00 41.33 H new ATOM 0 HA VAL A 82 -4.602 0.810 5.521 1.00 15.32 H new ATOM 0 HB VAL A 82 -4.849 2.400 3.607 1.00 74.30 H new ATOM 0 HG11 VAL A 82 -3.499 2.073 1.564 1.00 73.44 H new ATOM 0 HG12 VAL A 82 -2.510 2.608 2.943 1.00 73.44 H new ATOM 0 HG13 VAL A 82 -2.481 0.902 2.435 1.00 73.44 H new ATOM 0 HG21 VAL A 82 -5.541 0.737 1.921 1.00 4.01 H new ATOM 0 HG22 VAL A 82 -4.656 -0.523 2.813 1.00 4.01 H new ATOM 0 HG23 VAL A 82 -6.054 0.283 3.564 1.00 4.01 H new ATOM 1273 N VAL A 83 -3.391 -1.345 4.880 1.00 44.31 N ATOM 1274 CA VAL A 83 -2.615 -2.582 4.724 1.00 2.54 C ATOM 1275 C VAL A 83 -2.997 -3.314 3.432 1.00 21.23 C ATOM 1276 O VAL A 83 -4.144 -3.741 3.262 1.00 32.31 O ATOM 1277 CB VAL A 83 -2.808 -3.544 5.923 1.00 11.12 C ATOM 1278 CG1 VAL A 83 -1.882 -4.754 5.799 1.00 4.14 C ATOM 1279 CG2 VAL A 83 -2.577 -2.816 7.246 1.00 33.41 C ATOM 0 H VAL A 83 -4.381 -1.491 5.078 1.00 44.31 H new ATOM 0 HA VAL A 83 -1.567 -2.285 4.680 1.00 2.54 H new ATOM 0 HB VAL A 83 -3.838 -3.901 5.910 1.00 11.12 H new ATOM 0 HG11 VAL A 83 -2.033 -5.417 6.651 1.00 4.14 H new ATOM 0 HG12 VAL A 83 -2.106 -5.291 4.877 1.00 4.14 H new ATOM 0 HG13 VAL A 83 -0.845 -4.418 5.780 1.00 4.14 H new ATOM 0 HG21 VAL A 83 -2.718 -3.511 8.073 1.00 33.41 H new ATOM 0 HG22 VAL A 83 -1.561 -2.422 7.272 1.00 33.41 H new ATOM 0 HG23 VAL A 83 -3.287 -1.994 7.338 1.00 33.41 H new ATOM 1289 N VAL A 84 -2.024 -3.457 2.533 1.00 20.24 N ATOM 1290 CA VAL A 84 -2.235 -4.109 1.234 1.00 20.20 C ATOM 1291 C VAL A 84 -1.232 -5.258 1.013 1.00 25.11 C ATOM 1292 O VAL A 84 -0.324 -5.469 1.823 1.00 25.04 O ATOM 1293 CB VAL A 84 -2.103 -3.089 0.068 1.00 42.52 C ATOM 1294 CG1 VAL A 84 -3.160 -1.990 0.173 1.00 75.21 C ATOM 1295 CG2 VAL A 84 -0.698 -2.487 0.032 1.00 12.31 C ATOM 0 H VAL A 84 -1.070 -3.127 2.680 1.00 20.24 H new ATOM 0 HA VAL A 84 -3.246 -4.516 1.244 1.00 20.20 H new ATOM 0 HB VAL A 84 -2.270 -3.626 -0.866 1.00 42.52 H new ATOM 0 HG11 VAL A 84 -3.043 -1.292 -0.656 1.00 75.21 H new ATOM 0 HG12 VAL A 84 -4.154 -2.436 0.134 1.00 75.21 H new ATOM 0 HG13 VAL A 84 -3.038 -1.457 1.116 1.00 75.21 H new ATOM 0 HG21 VAL A 84 -0.628 -1.776 -0.791 1.00 12.31 H new ATOM 0 HG22 VAL A 84 -0.498 -1.974 0.973 1.00 12.31 H new ATOM 0 HG23 VAL A 84 0.035 -3.281 -0.111 1.00 12.31 H new ATOM 1305 N PHE A 85 -1.406 -6.005 -0.078 1.00 12.44 N ATOM 1306 CA PHE A 85 -0.476 -7.085 -0.434 1.00 32.35 C ATOM 1307 C PHE A 85 0.807 -6.526 -1.070 1.00 11.53 C ATOM 1308 O PHE A 85 0.756 -5.667 -1.955 1.00 72.23 O ATOM 1309 CB PHE A 85 -1.145 -8.079 -1.396 1.00 63.51 C ATOM 1310 CG PHE A 85 -2.311 -8.829 -0.792 1.00 14.52 C ATOM 1311 CD1 PHE A 85 -2.093 -9.919 0.042 1.00 64.14 C ATOM 1312 CD2 PHE A 85 -3.620 -8.450 -1.063 1.00 41.53 C ATOM 1313 CE1 PHE A 85 -3.155 -10.612 0.592 1.00 64.12 C ATOM 1314 CE2 PHE A 85 -4.684 -9.142 -0.512 1.00 53.55 C ATOM 1315 CZ PHE A 85 -4.452 -10.224 0.315 1.00 44.34 C ATOM 0 H PHE A 85 -2.180 -5.885 -0.731 1.00 12.44 H new ATOM 0 HA PHE A 85 -0.207 -7.606 0.485 1.00 32.35 H new ATOM 0 HB2 PHE A 85 -1.491 -7.539 -2.277 1.00 63.51 H new ATOM 0 HB3 PHE A 85 -0.400 -8.799 -1.735 1.00 63.51 H new ATOM 0 HD1 PHE A 85 -1.082 -10.228 0.263 1.00 64.14 H new ATOM 0 HD2 PHE A 85 -3.809 -7.606 -1.710 1.00 41.53 H new ATOM 0 HE1 PHE A 85 -2.971 -11.457 1.239 1.00 64.12 H new ATOM 0 HE2 PHE A 85 -5.697 -8.836 -0.729 1.00 53.55 H new ATOM 0 HZ PHE A 85 -5.282 -10.765 0.744 1.00 44.34 H new ATOM 1325 N ALA A 86 1.955 -7.012 -0.615 1.00 35.01 N ATOM 1326 CA ALA A 86 3.246 -6.557 -1.138 1.00 1.41 C ATOM 1327 C ALA A 86 3.646 -7.300 -2.423 1.00 54.24 C ATOM 1328 O ALA A 86 3.674 -8.532 -2.462 1.00 21.45 O ATOM 1329 CB ALA A 86 4.327 -6.720 -0.077 1.00 50.24 C ATOM 0 H ALA A 86 2.023 -7.721 0.115 1.00 35.01 H new ATOM 0 HA ALA A 86 3.142 -5.502 -1.393 1.00 1.41 H new ATOM 0 HB1 ALA A 86 5.282 -6.379 -0.476 1.00 50.24 H new ATOM 0 HB2 ALA A 86 4.068 -6.128 0.801 1.00 50.24 H new ATOM 0 HB3 ALA A 86 4.405 -7.770 0.204 1.00 50.24 H new ATOM 1335 N LYS A 87 3.953 -6.539 -3.476 1.00 21.32 N ATOM 1336 CA LYS A 87 4.446 -7.110 -4.738 1.00 54.32 C ATOM 1337 C LYS A 87 5.684 -6.360 -5.228 1.00 70.24 C ATOM 1338 O LYS A 87 5.876 -5.180 -4.935 1.00 4.52 O ATOM 1339 CB LYS A 87 3.350 -7.103 -5.819 1.00 43.14 C ATOM 1340 CG LYS A 87 2.098 -7.876 -5.428 1.00 4.02 C ATOM 1341 CD LYS A 87 1.189 -8.126 -6.628 1.00 32.23 C ATOM 1342 CE LYS A 87 -0.131 -8.738 -6.196 1.00 24.31 C ATOM 1343 NZ LYS A 87 -0.908 -9.278 -7.342 1.00 74.44 N ATOM 0 H LYS A 87 3.870 -5.522 -3.482 1.00 21.32 H new ATOM 0 HA LYS A 87 4.724 -8.146 -4.545 1.00 54.32 H new ATOM 0 HB2 LYS A 87 3.075 -6.071 -6.038 1.00 43.14 H new ATOM 0 HB3 LYS A 87 3.756 -7.527 -6.738 1.00 43.14 H new ATOM 0 HG2 LYS A 87 2.383 -8.829 -4.983 1.00 4.02 H new ATOM 0 HG3 LYS A 87 1.551 -7.320 -4.667 1.00 4.02 H new ATOM 0 HD2 LYS A 87 1.004 -7.187 -7.150 1.00 32.23 H new ATOM 0 HD3 LYS A 87 1.688 -8.790 -7.334 1.00 32.23 H new ATOM 0 HE2 LYS A 87 0.060 -9.538 -5.481 1.00 24.31 H new ATOM 0 HE3 LYS A 87 -0.726 -7.984 -5.680 1.00 24.31 H new ATOM 0 HZ1 LYS A 87 -1.800 -9.685 -6.996 1.00 74.44 H new ATOM 0 HZ2 LYS A 87 -1.115 -8.511 -8.013 1.00 74.44 H new ATOM 0 HZ3 LYS A 87 -0.354 -10.017 -7.820 1.00 74.44 H new ATOM 1357 N LYS A 88 6.528 -7.066 -5.964 1.00 54.23 N ATOM 1358 CA LYS A 88 7.811 -6.532 -6.401 1.00 11.25 C ATOM 1359 C LYS A 88 7.688 -5.832 -7.765 1.00 42.24 C ATOM 1360 O LYS A 88 7.277 -6.443 -8.756 1.00 22.13 O ATOM 1361 CB LYS A 88 8.831 -7.674 -6.461 1.00 65.40 C ATOM 1362 CG LYS A 88 10.268 -7.194 -6.414 1.00 51.53 C ATOM 1363 CD LYS A 88 11.266 -8.351 -6.399 1.00 30.51 C ATOM 1364 CE LYS A 88 11.127 -9.208 -5.143 1.00 14.21 C ATOM 1365 NZ LYS A 88 12.121 -10.314 -5.104 1.00 44.42 N ATOM 0 H LYS A 88 6.346 -8.020 -6.275 1.00 54.23 H new ATOM 0 HA LYS A 88 8.148 -5.782 -5.686 1.00 11.25 H new ATOM 0 HB2 LYS A 88 8.655 -8.354 -5.628 1.00 65.40 H new ATOM 0 HB3 LYS A 88 8.675 -8.244 -7.377 1.00 65.40 H new ATOM 0 HG2 LYS A 88 10.465 -6.559 -7.277 1.00 51.53 H new ATOM 0 HG3 LYS A 88 10.414 -6.579 -5.526 1.00 51.53 H new ATOM 0 HD2 LYS A 88 11.114 -8.973 -7.281 1.00 30.51 H new ATOM 0 HD3 LYS A 88 12.280 -7.956 -6.458 1.00 30.51 H new ATOM 0 HE2 LYS A 88 11.251 -8.580 -4.261 1.00 14.21 H new ATOM 0 HE3 LYS A 88 10.121 -9.625 -5.099 1.00 14.21 H new ATOM 0 HZ1 LYS A 88 12.303 -10.583 -4.116 1.00 44.42 H new ATOM 0 HZ2 LYS A 88 11.748 -11.135 -5.623 1.00 44.42 H new ATOM 0 HZ3 LYS A 88 13.008 -9.999 -5.546 1.00 44.42 H new ATOM 1379 N GLY A 89 8.052 -4.550 -7.812 1.00 65.43 N ATOM 1380 CA GLY A 89 7.872 -3.757 -9.028 1.00 63.13 C ATOM 1381 C GLY A 89 9.172 -3.182 -9.587 1.00 52.41 C ATOM 1382 O GLY A 89 10.252 -3.401 -9.038 1.00 62.44 O ATOM 0 H GLY A 89 8.469 -4.043 -7.031 1.00 65.43 H new ATOM 0 HA2 GLY A 89 7.403 -4.379 -9.790 1.00 63.13 H new ATOM 0 HA3 GLY A 89 7.184 -2.938 -8.818 1.00 63.13 H new ATOM 1386 N ASP A 90 9.058 -2.426 -10.677 1.00 1.22 N ATOM 1387 CA ASP A 90 10.215 -1.823 -11.348 1.00 24.02 C ATOM 1388 C ASP A 90 10.479 -0.388 -10.851 1.00 5.52 C ATOM 1389 O ASP A 90 11.308 0.334 -11.412 1.00 61.54 O ATOM 1390 CB ASP A 90 9.980 -1.808 -12.861 1.00 13.44 C ATOM 1391 CG ASP A 90 9.782 -3.200 -13.430 1.00 64.42 C ATOM 1392 OD1 ASP A 90 8.654 -3.728 -13.347 1.00 33.44 O ATOM 1393 OD2 ASP A 90 10.760 -3.777 -13.959 1.00 5.44 O ATOM 0 H ASP A 90 8.165 -2.213 -11.121 1.00 1.22 H new ATOM 0 HA ASP A 90 11.092 -2.426 -11.111 1.00 24.02 H new ATOM 0 HB2 ASP A 90 9.103 -1.200 -13.084 1.00 13.44 H new ATOM 0 HB3 ASP A 90 10.830 -1.335 -13.353 1.00 13.44 H new ATOM 1398 N VAL A 91 9.773 0.014 -9.799 1.00 72.30 N ATOM 1399 CA VAL A 91 9.913 1.360 -9.232 1.00 75.30 C ATOM 1400 C VAL A 91 11.326 1.595 -8.656 1.00 65.21 C ATOM 1401 O VAL A 91 12.013 0.644 -8.270 1.00 32.01 O ATOM 1402 CB VAL A 91 8.856 1.602 -8.123 1.00 74.55 C ATOM 1403 CG1 VAL A 91 7.443 1.579 -8.705 1.00 42.21 C ATOM 1404 CG2 VAL A 91 8.996 0.565 -7.009 1.00 14.43 C ATOM 0 H VAL A 91 9.093 -0.574 -9.316 1.00 72.30 H new ATOM 0 HA VAL A 91 9.752 2.067 -10.046 1.00 75.30 H new ATOM 0 HB VAL A 91 9.032 2.590 -7.696 1.00 74.55 H new ATOM 0 HG11 VAL A 91 6.719 1.751 -7.909 1.00 42.21 H new ATOM 0 HG12 VAL A 91 7.347 2.361 -9.458 1.00 42.21 H new ATOM 0 HG13 VAL A 91 7.254 0.608 -9.164 1.00 42.21 H new ATOM 0 HG21 VAL A 91 8.246 0.752 -6.241 1.00 14.43 H new ATOM 0 HG22 VAL A 91 8.852 -0.434 -7.421 1.00 14.43 H new ATOM 0 HG23 VAL A 91 9.991 0.636 -6.569 1.00 14.43 H new ATOM 1414 N PRO A 92 11.796 2.863 -8.618 1.00 74.43 N ATOM 1415 CA PRO A 92 13.101 3.205 -8.019 1.00 44.34 C ATOM 1416 C PRO A 92 13.095 3.056 -6.488 1.00 34.11 C ATOM 1417 O PRO A 92 12.037 3.094 -5.855 1.00 71.13 O ATOM 1418 CB PRO A 92 13.305 4.671 -8.425 1.00 40.10 C ATOM 1419 CG PRO A 92 11.927 5.204 -8.617 1.00 74.15 C ATOM 1420 CD PRO A 92 11.110 4.056 -9.157 1.00 21.34 C ATOM 0 HA PRO A 92 13.897 2.544 -8.362 1.00 44.34 H new ATOM 0 HB2 PRO A 92 13.840 5.225 -7.654 1.00 40.10 H new ATOM 0 HB3 PRO A 92 13.892 4.751 -9.340 1.00 40.10 H new ATOM 0 HG2 PRO A 92 11.515 5.568 -7.676 1.00 74.15 H new ATOM 0 HG3 PRO A 92 11.927 6.044 -9.311 1.00 74.15 H new ATOM 0 HD2 PRO A 92 10.074 4.109 -8.823 1.00 21.34 H new ATOM 0 HD3 PRO A 92 11.094 4.052 -10.247 1.00 21.34 H new ATOM 1428 N LYS A 93 14.275 2.887 -5.893 1.00 44.13 N ATOM 1429 CA LYS A 93 14.374 2.685 -4.445 1.00 13.14 C ATOM 1430 C LYS A 93 13.898 3.926 -3.667 1.00 35.31 C ATOM 1431 O LYS A 93 14.172 5.061 -4.060 1.00 52.14 O ATOM 1432 CB LYS A 93 15.809 2.336 -4.034 1.00 3.02 C ATOM 1433 CG LYS A 93 15.893 1.857 -2.593 1.00 3.12 C ATOM 1434 CD LYS A 93 17.317 1.621 -2.122 1.00 33.40 C ATOM 1435 CE LYS A 93 17.328 1.035 -0.715 1.00 70.13 C ATOM 1436 NZ LYS A 93 16.537 1.857 0.243 1.00 54.04 N ATOM 0 H LYS A 93 15.169 2.885 -6.384 1.00 44.13 H new ATOM 0 HA LYS A 93 13.721 1.849 -4.194 1.00 13.14 H new ATOM 0 HB2 LYS A 93 16.197 1.561 -4.696 1.00 3.02 H new ATOM 0 HB3 LYS A 93 16.445 3.212 -4.162 1.00 3.02 H new ATOM 0 HG2 LYS A 93 15.420 2.594 -1.944 1.00 3.12 H new ATOM 0 HG3 LYS A 93 15.326 0.932 -2.491 1.00 3.12 H new ATOM 0 HD2 LYS A 93 17.825 0.943 -2.808 1.00 33.40 H new ATOM 0 HD3 LYS A 93 17.870 2.560 -2.135 1.00 33.40 H new ATOM 0 HE2 LYS A 93 16.925 0.023 -0.742 1.00 70.13 H new ATOM 0 HE3 LYS A 93 18.357 0.959 -0.363 1.00 70.13 H new ATOM 0 HZ1 LYS A 93 16.785 1.590 1.217 1.00 54.04 H new ATOM 0 HZ2 LYS A 93 16.751 2.864 0.095 1.00 54.04 H new ATOM 0 HZ3 LYS A 93 15.522 1.692 0.086 1.00 54.04 H new ATOM 1450 N GLY A 94 13.217 3.699 -2.544 1.00 1.31 N ATOM 1451 CA GLY A 94 12.599 4.799 -1.806 1.00 24.35 C ATOM 1452 C GLY A 94 11.356 5.354 -2.503 1.00 43.41 C ATOM 1453 O GLY A 94 10.991 6.520 -2.320 1.00 11.02 O ATOM 0 H GLY A 94 13.081 2.777 -2.130 1.00 1.31 H new ATOM 0 HA2 GLY A 94 12.327 4.454 -0.808 1.00 24.35 H new ATOM 0 HA3 GLY A 94 13.327 5.600 -1.679 1.00 24.35 H new ATOM 1457 N MET A 95 10.702 4.520 -3.305 1.00 23.34 N ATOM 1458 CA MET A 95 9.512 4.921 -4.045 1.00 74.54 C ATOM 1459 C MET A 95 8.641 3.692 -4.361 1.00 34.10 C ATOM 1460 O MET A 95 9.159 2.647 -4.744 1.00 71.13 O ATOM 1461 CB MET A 95 9.955 5.625 -5.330 1.00 71.50 C ATOM 1462 CG MET A 95 8.833 6.274 -6.106 1.00 61.11 C ATOM 1463 SD MET A 95 9.445 7.227 -7.511 1.00 24.32 S ATOM 1464 CE MET A 95 7.931 7.969 -8.100 1.00 75.03 C ATOM 0 H MET A 95 10.981 3.551 -3.460 1.00 23.34 H new ATOM 0 HA MET A 95 8.910 5.605 -3.446 1.00 74.54 H new ATOM 0 HB2 MET A 95 10.693 6.386 -5.077 1.00 71.50 H new ATOM 0 HB3 MET A 95 10.453 4.900 -5.974 1.00 71.50 H new ATOM 0 HG2 MET A 95 8.146 5.506 -6.461 1.00 61.11 H new ATOM 0 HG3 MET A 95 8.265 6.928 -5.444 1.00 61.11 H new ATOM 0 HE1 MET A 95 8.155 8.923 -8.577 1.00 75.03 H new ATOM 0 HE2 MET A 95 7.457 7.304 -8.823 1.00 75.03 H new ATOM 0 HE3 MET A 95 7.255 8.133 -7.260 1.00 75.03 H new ATOM 1474 N ILE A 96 7.321 3.811 -4.190 1.00 53.13 N ATOM 1475 CA ILE A 96 6.409 2.672 -4.407 1.00 3.33 C ATOM 1476 C ILE A 96 5.165 3.068 -5.224 1.00 51.41 C ATOM 1477 O ILE A 96 4.649 4.181 -5.100 1.00 55.43 O ATOM 1478 CB ILE A 96 5.937 2.047 -3.064 1.00 21.03 C ATOM 1479 CG1 ILE A 96 5.140 3.070 -2.233 1.00 45.00 C ATOM 1480 CG2 ILE A 96 7.129 1.515 -2.266 1.00 53.22 C ATOM 1481 CD1 ILE A 96 4.507 2.488 -0.983 1.00 2.01 C ATOM 0 H ILE A 96 6.858 4.674 -3.905 1.00 53.13 H new ATOM 0 HA ILE A 96 6.986 1.938 -4.969 1.00 3.33 H new ATOM 0 HB ILE A 96 5.278 1.210 -3.294 1.00 21.03 H new ATOM 0 HG12 ILE A 96 5.803 3.886 -1.946 1.00 45.00 H new ATOM 0 HG13 ILE A 96 4.357 3.500 -2.858 1.00 45.00 H new ATOM 0 HG21 ILE A 96 6.776 1.082 -1.330 1.00 53.22 H new ATOM 0 HG22 ILE A 96 7.644 0.751 -2.848 1.00 53.22 H new ATOM 0 HG23 ILE A 96 7.817 2.333 -2.051 1.00 53.22 H new ATOM 0 HD11 ILE A 96 3.964 3.270 -0.452 1.00 2.01 H new ATOM 0 HD12 ILE A 96 3.817 1.692 -1.262 1.00 2.01 H new ATOM 0 HD13 ILE A 96 5.285 2.084 -0.336 1.00 2.01 H new ATOM 1493 N PHE A 97 4.680 2.139 -6.049 1.00 63.31 N ATOM 1494 CA PHE A 97 3.490 2.377 -6.878 1.00 54.33 C ATOM 1495 C PHE A 97 2.257 1.666 -6.304 1.00 14.53 C ATOM 1496 O PHE A 97 2.320 0.500 -5.919 1.00 63.50 O ATOM 1497 CB PHE A 97 3.738 1.899 -8.318 1.00 45.30 C ATOM 1498 CG PHE A 97 2.560 2.117 -9.243 1.00 43.02 C ATOM 1499 CD1 PHE A 97 2.413 3.314 -9.931 1.00 1.14 C ATOM 1500 CD2 PHE A 97 1.600 1.128 -9.418 1.00 2.33 C ATOM 1501 CE1 PHE A 97 1.336 3.518 -10.773 1.00 74.13 C ATOM 1502 CE2 PHE A 97 0.521 1.329 -10.257 1.00 43.34 C ATOM 1503 CZ PHE A 97 0.390 2.524 -10.934 1.00 25.02 C ATOM 0 H PHE A 97 5.091 1.213 -6.163 1.00 63.31 H new ATOM 0 HA PHE A 97 3.298 3.450 -6.880 1.00 54.33 H new ATOM 0 HB2 PHE A 97 4.606 2.421 -8.720 1.00 45.30 H new ATOM 0 HB3 PHE A 97 3.984 0.837 -8.302 1.00 45.30 H new ATOM 0 HD1 PHE A 97 3.149 4.095 -9.807 1.00 1.14 H new ATOM 0 HD2 PHE A 97 1.699 0.190 -8.891 1.00 2.33 H new ATOM 0 HE1 PHE A 97 1.234 4.453 -11.304 1.00 74.13 H new ATOM 0 HE2 PHE A 97 -0.219 0.552 -10.383 1.00 43.34 H new ATOM 0 HZ PHE A 97 -0.453 2.683 -11.590 1.00 25.02 H new ATOM 1513 N ILE A 98 1.135 2.376 -6.257 1.00 60.12 N ATOM 1514 CA ILE A 98 -0.141 1.798 -5.825 1.00 41.33 C ATOM 1515 C ILE A 98 -1.254 2.133 -6.833 1.00 54.32 C ATOM 1516 O ILE A 98 -1.367 3.272 -7.285 1.00 10.04 O ATOM 1517 CB ILE A 98 -0.546 2.304 -4.407 1.00 44.54 C ATOM 1518 CG1 ILE A 98 0.518 1.900 -3.369 1.00 31.31 C ATOM 1519 CG2 ILE A 98 -1.921 1.770 -4.002 1.00 65.02 C ATOM 1520 CD1 ILE A 98 0.173 2.280 -1.941 1.00 60.22 C ATOM 0 H ILE A 98 1.080 3.361 -6.514 1.00 60.12 H new ATOM 0 HA ILE A 98 -0.011 0.717 -5.778 1.00 41.33 H new ATOM 0 HB ILE A 98 -0.606 3.392 -4.441 1.00 44.54 H new ATOM 0 HG12 ILE A 98 0.667 0.821 -3.420 1.00 31.31 H new ATOM 0 HG13 ILE A 98 1.466 2.366 -3.638 1.00 31.31 H new ATOM 0 HG21 ILE A 98 -2.177 2.139 -3.009 1.00 65.02 H new ATOM 0 HG22 ILE A 98 -2.669 2.109 -4.719 1.00 65.02 H new ATOM 0 HG23 ILE A 98 -1.899 0.680 -3.989 1.00 65.02 H new ATOM 0 HD11 ILE A 98 0.974 1.959 -1.275 1.00 60.22 H new ATOM 0 HD12 ILE A 98 0.054 3.361 -1.871 1.00 60.22 H new ATOM 0 HD13 ILE A 98 -0.757 1.793 -1.650 1.00 60.22 H new ATOM 1532 N PRO A 99 -2.067 1.141 -7.238 1.00 72.35 N ATOM 1533 CA PRO A 99 -3.226 1.388 -8.113 1.00 24.44 C ATOM 1534 C PRO A 99 -4.256 2.327 -7.458 1.00 12.32 C ATOM 1535 O PRO A 99 -4.676 2.106 -6.317 1.00 3.41 O ATOM 1536 CB PRO A 99 -3.817 -0.014 -8.332 1.00 55.45 C ATOM 1537 CG PRO A 99 -2.702 -0.954 -8.006 1.00 23.25 C ATOM 1538 CD PRO A 99 -1.917 -0.288 -6.914 1.00 14.45 C ATOM 0 HA PRO A 99 -2.944 1.885 -9.041 1.00 24.44 H new ATOM 0 HB2 PRO A 99 -4.679 -0.185 -7.688 1.00 55.45 H new ATOM 0 HB3 PRO A 99 -4.156 -0.144 -9.360 1.00 55.45 H new ATOM 0 HG2 PRO A 99 -3.087 -1.920 -7.679 1.00 23.25 H new ATOM 0 HG3 PRO A 99 -2.078 -1.139 -8.880 1.00 23.25 H new ATOM 0 HD2 PRO A 99 -2.315 -0.524 -5.927 1.00 14.45 H new ATOM 0 HD3 PRO A 99 -0.872 -0.598 -6.919 1.00 14.45 H new ATOM 1546 N MET A 100 -4.657 3.374 -8.183 1.00 72.10 N ATOM 1547 CA MET A 100 -5.576 4.391 -7.653 1.00 21.51 C ATOM 1548 C MET A 100 -6.898 3.749 -7.193 1.00 23.01 C ATOM 1549 O MET A 100 -7.734 3.363 -8.010 1.00 62.40 O ATOM 1550 CB MET A 100 -5.848 5.464 -8.725 1.00 64.10 C ATOM 1551 CG MET A 100 -6.287 6.830 -8.187 1.00 42.14 C ATOM 1552 SD MET A 100 -7.747 6.764 -7.124 1.00 51.14 S ATOM 1553 CE MET A 100 -6.997 6.669 -5.499 1.00 54.33 C ATOM 0 H MET A 100 -4.359 3.542 -9.144 1.00 72.10 H new ATOM 0 HA MET A 100 -5.108 4.862 -6.788 1.00 21.51 H new ATOM 0 HB2 MET A 100 -4.944 5.599 -9.318 1.00 64.10 H new ATOM 0 HB3 MET A 100 -6.619 5.093 -9.400 1.00 64.10 H new ATOM 0 HG2 MET A 100 -5.462 7.271 -7.628 1.00 42.14 H new ATOM 0 HG3 MET A 100 -6.492 7.492 -9.028 1.00 42.14 H new ATOM 0 HE1 MET A 100 -7.579 5.997 -4.868 1.00 54.33 H new ATOM 0 HE2 MET A 100 -5.979 6.291 -5.590 1.00 54.33 H new ATOM 0 HE3 MET A 100 -6.977 7.662 -5.049 1.00 54.33 H new ATOM 1563 N GLY A 101 -7.067 3.626 -5.879 1.00 52.22 N ATOM 1564 CA GLY A 101 -8.278 3.017 -5.334 1.00 31.53 C ATOM 1565 C GLY A 101 -8.532 3.402 -3.882 1.00 24.04 C ATOM 1566 O GLY A 101 -7.792 4.205 -3.319 1.00 43.10 O ATOM 0 H GLY A 101 -6.391 3.935 -5.180 1.00 52.22 H new ATOM 0 HA2 GLY A 101 -9.134 3.317 -5.939 1.00 31.53 H new ATOM 0 HA3 GLY A 101 -8.199 1.932 -5.409 1.00 31.53 H new ATOM 1570 N PRO A 102 -9.564 2.823 -3.235 1.00 30.30 N ATOM 1571 CA PRO A 102 -9.902 3.137 -1.833 1.00 60.13 C ATOM 1572 C PRO A 102 -8.721 2.898 -0.883 1.00 3.41 C ATOM 1573 O PRO A 102 -8.549 3.615 0.102 1.00 44.31 O ATOM 1574 CB PRO A 102 -11.077 2.191 -1.516 1.00 23.54 C ATOM 1575 CG PRO A 102 -11.046 1.146 -2.587 1.00 65.43 C ATOM 1576 CD PRO A 102 -10.477 1.820 -3.808 1.00 51.52 C ATOM 0 HA PRO A 102 -10.155 4.189 -1.699 1.00 60.13 H new ATOM 0 HB2 PRO A 102 -10.966 1.744 -0.528 1.00 23.54 H new ATOM 0 HB3 PRO A 102 -12.025 2.728 -1.518 1.00 23.54 H new ATOM 0 HG2 PRO A 102 -10.431 0.298 -2.287 1.00 65.43 H new ATOM 0 HG3 PRO A 102 -12.046 0.760 -2.785 1.00 65.43 H new ATOM 0 HD2 PRO A 102 -9.950 1.114 -4.450 1.00 51.52 H new ATOM 0 HD3 PRO A 102 -11.256 2.282 -4.414 1.00 51.52 H new ATOM 1584 N TYR A 103 -7.903 1.896 -1.197 1.00 30.40 N ATOM 1585 CA TYR A 103 -6.687 1.623 -0.431 1.00 1.34 C ATOM 1586 C TYR A 103 -5.715 2.807 -0.538 1.00 15.23 C ATOM 1587 O TYR A 103 -5.244 3.335 0.468 1.00 43.54 O ATOM 1588 CB TYR A 103 -6.030 0.326 -0.934 1.00 34.41 C ATOM 1589 CG TYR A 103 -6.904 -0.907 -0.751 1.00 14.23 C ATOM 1590 CD1 TYR A 103 -8.010 -1.129 -1.568 1.00 62.22 C ATOM 1591 CD2 TYR A 103 -6.634 -1.838 0.249 1.00 72.15 C ATOM 1592 CE1 TYR A 103 -8.815 -2.236 -1.393 1.00 72.02 C ATOM 1593 CE2 TYR A 103 -7.438 -2.946 0.429 1.00 1.24 C ATOM 1594 CZ TYR A 103 -8.528 -3.139 -0.395 1.00 63.21 C ATOM 1595 OH TYR A 103 -9.336 -4.237 -0.220 1.00 62.24 O ATOM 0 H TYR A 103 -8.060 1.258 -1.978 1.00 30.40 H new ATOM 0 HA TYR A 103 -6.948 1.492 0.619 1.00 1.34 H new ATOM 0 HB2 TYR A 103 -5.788 0.437 -1.991 1.00 34.41 H new ATOM 0 HB3 TYR A 103 -5.089 0.176 -0.406 1.00 34.41 H new ATOM 0 HD1 TYR A 103 -8.241 -0.423 -2.352 1.00 62.22 H new ATOM 0 HD2 TYR A 103 -5.781 -1.691 0.895 1.00 72.15 H new ATOM 0 HE1 TYR A 103 -9.667 -2.393 -2.037 1.00 72.02 H new ATOM 0 HE2 TYR A 103 -7.215 -3.658 1.210 1.00 1.24 H new ATOM 0 HH TYR A 103 -9.164 -4.633 0.660 1.00 62.24 H new ATOM 1605 N ALA A 104 -5.448 3.238 -1.769 1.00 22.41 N ATOM 1606 CA ALA A 104 -4.599 4.408 -2.017 1.00 33.42 C ATOM 1607 C ALA A 104 -5.175 5.680 -1.369 1.00 61.04 C ATOM 1608 O ALA A 104 -4.439 6.470 -0.788 1.00 14.03 O ATOM 1609 CB ALA A 104 -4.414 4.612 -3.517 1.00 22.02 C ATOM 0 H ALA A 104 -5.807 2.795 -2.615 1.00 22.41 H new ATOM 0 HA ALA A 104 -3.629 4.219 -1.558 1.00 33.42 H new ATOM 0 HB1 ALA A 104 -3.782 5.483 -3.691 1.00 22.02 H new ATOM 0 HB2 ALA A 104 -3.942 3.729 -3.949 1.00 22.02 H new ATOM 0 HB3 ALA A 104 -5.386 4.769 -3.985 1.00 22.02 H new ATOM 1615 N ASN A 105 -6.494 5.862 -1.461 1.00 55.32 N ATOM 1616 CA ASN A 105 -7.176 7.023 -0.853 1.00 3.40 C ATOM 1617 C ASN A 105 -6.846 7.172 0.641 1.00 51.20 C ATOM 1618 O ASN A 105 -6.866 8.276 1.184 1.00 41.54 O ATOM 1619 CB ASN A 105 -8.694 6.898 -1.021 1.00 3.31 C ATOM 1620 CG ASN A 105 -9.149 7.097 -2.451 1.00 42.12 C ATOM 1621 OD1 ASN A 105 -8.561 7.860 -3.211 1.00 63.34 O ATOM 1622 ND2 ASN A 105 -10.203 6.412 -2.826 1.00 41.44 N ATOM 0 H ASN A 105 -7.119 5.222 -1.951 1.00 55.32 H new ATOM 0 HA ASN A 105 -6.814 7.910 -1.372 1.00 3.40 H new ATOM 0 HB2 ASN A 105 -9.012 5.914 -0.678 1.00 3.31 H new ATOM 0 HB3 ASN A 105 -9.186 7.632 -0.383 1.00 3.31 H new ATOM 0 HD21 ASN A 105 -10.559 6.504 -3.777 1.00 41.44 H new ATOM 0 HD22 ASN A 105 -10.666 5.787 -2.166 1.00 41.44 H new ATOM 1629 N MET A 106 -6.564 6.051 1.296 1.00 75.25 N ATOM 1630 CA MET A 106 -6.207 6.044 2.725 1.00 22.45 C ATOM 1631 C MET A 106 -4.870 6.760 2.992 1.00 61.23 C ATOM 1632 O MET A 106 -4.628 7.244 4.097 1.00 31.41 O ATOM 1633 CB MET A 106 -6.120 4.599 3.228 1.00 20.24 C ATOM 1634 CG MET A 106 -7.420 3.822 3.083 1.00 61.14 C ATOM 1635 SD MET A 106 -8.686 4.350 4.251 1.00 22.45 S ATOM 1636 CE MET A 106 -8.063 3.630 5.770 1.00 1.11 C ATOM 0 H MET A 106 -6.574 5.127 0.864 1.00 75.25 H new ATOM 0 HA MET A 106 -6.987 6.585 3.261 1.00 22.45 H new ATOM 0 HB2 MET A 106 -5.334 4.080 2.680 1.00 20.24 H new ATOM 0 HB3 MET A 106 -5.826 4.606 4.278 1.00 20.24 H new ATOM 0 HG2 MET A 106 -7.797 3.941 2.067 1.00 61.14 H new ATOM 0 HG3 MET A 106 -7.221 2.760 3.226 1.00 61.14 H new ATOM 0 HE1 MET A 106 -8.855 3.618 6.518 1.00 1.11 H new ATOM 0 HE2 MET A 106 -7.728 2.610 5.579 1.00 1.11 H new ATOM 0 HE3 MET A 106 -7.226 4.224 6.138 1.00 1.11 H new ATOM 1646 N VAL A 107 -4.007 6.833 1.978 1.00 35.44 N ATOM 1647 CA VAL A 107 -2.649 7.362 2.160 1.00 23.43 C ATOM 1648 C VAL A 107 -2.300 8.476 1.158 1.00 32.24 C ATOM 1649 O VAL A 107 -1.306 9.180 1.331 1.00 41.20 O ATOM 1650 CB VAL A 107 -1.594 6.231 2.057 1.00 62.03 C ATOM 1651 CG1 VAL A 107 -1.768 5.227 3.192 1.00 41.41 C ATOM 1652 CG2 VAL A 107 -1.669 5.536 0.695 1.00 54.13 C ATOM 0 H VAL A 107 -4.220 6.535 1.026 1.00 35.44 H new ATOM 0 HA VAL A 107 -2.629 7.796 3.160 1.00 23.43 H new ATOM 0 HB VAL A 107 -0.605 6.680 2.150 1.00 62.03 H new ATOM 0 HG11 VAL A 107 -1.018 4.441 3.101 1.00 41.41 H new ATOM 0 HG12 VAL A 107 -1.647 5.735 4.149 1.00 41.41 H new ATOM 0 HG13 VAL A 107 -2.763 4.786 3.138 1.00 41.41 H new ATOM 0 HG21 VAL A 107 -0.919 4.747 0.648 1.00 54.13 H new ATOM 0 HG22 VAL A 107 -2.660 5.103 0.562 1.00 54.13 H new ATOM 0 HG23 VAL A 107 -1.481 6.263 -0.095 1.00 54.13 H new ATOM 1662 N ILE A 108 -3.109 8.647 0.116 1.00 41.33 N ATOM 1663 CA ILE A 108 -2.834 9.672 -0.897 1.00 63.34 C ATOM 1664 C ILE A 108 -3.809 10.855 -0.789 1.00 45.31 C ATOM 1665 O ILE A 108 -4.687 10.880 0.073 1.00 30.21 O ATOM 1666 CB ILE A 108 -2.906 9.107 -2.336 1.00 44.01 C ATOM 1667 CG1 ILE A 108 -4.358 8.964 -2.802 1.00 23.43 C ATOM 1668 CG2 ILE A 108 -2.183 7.760 -2.436 1.00 52.23 C ATOM 1669 CD1 ILE A 108 -4.457 8.749 -4.284 1.00 11.34 C ATOM 0 H ILE A 108 -3.952 8.098 -0.052 1.00 41.33 H new ATOM 0 HA ILE A 108 -1.819 10.016 -0.699 1.00 63.34 H new ATOM 0 HB ILE A 108 -2.403 9.818 -2.992 1.00 44.01 H new ATOM 0 HG12 ILE A 108 -4.824 8.127 -2.283 1.00 23.43 H new ATOM 0 HG13 ILE A 108 -4.916 9.859 -2.528 1.00 23.43 H new ATOM 0 HG21 ILE A 108 -2.249 7.386 -3.458 1.00 52.23 H new ATOM 0 HG22 ILE A 108 -1.135 7.888 -2.164 1.00 52.23 H new ATOM 0 HG23 ILE A 108 -2.649 7.046 -1.757 1.00 52.23 H new ATOM 0 HD11 ILE A 108 -5.505 8.653 -4.569 1.00 11.34 H new ATOM 0 HD12 ILE A 108 -4.016 9.599 -4.805 1.00 11.34 H new ATOM 0 HD13 ILE A 108 -3.922 7.839 -4.556 1.00 11.34 H new ATOM 1681 N ASP A 109 -3.645 11.834 -1.678 1.00 40.42 N ATOM 1682 CA ASP A 109 -4.578 12.957 -1.781 1.00 40.54 C ATOM 1683 C ASP A 109 -5.476 12.803 -3.026 1.00 55.31 C ATOM 1684 O ASP A 109 -5.017 12.969 -4.157 1.00 53.23 O ATOM 1685 CB ASP A 109 -3.811 14.284 -1.834 1.00 43.34 C ATOM 1686 CG ASP A 109 -4.733 15.476 -2.037 1.00 43.41 C ATOM 1687 OD1 ASP A 109 -5.526 15.786 -1.122 1.00 63.42 O ATOM 1688 OD2 ASP A 109 -4.668 16.102 -3.114 1.00 12.22 O ATOM 0 H ASP A 109 -2.871 11.872 -2.341 1.00 40.42 H new ATOM 0 HA ASP A 109 -5.215 12.959 -0.897 1.00 40.54 H new ATOM 0 HB2 ASP A 109 -3.251 14.414 -0.908 1.00 43.34 H new ATOM 0 HB3 ASP A 109 -3.083 14.248 -2.645 1.00 43.34 H new ATOM 1693 N PRO A 110 -6.771 12.483 -2.834 1.00 24.01 N ATOM 1694 CA PRO A 110 -7.707 12.261 -3.948 1.00 72.34 C ATOM 1695 C PRO A 110 -8.252 13.564 -4.567 1.00 11.11 C ATOM 1696 O PRO A 110 -9.215 13.538 -5.338 1.00 14.44 O ATOM 1697 CB PRO A 110 -8.832 11.464 -3.277 1.00 5.13 C ATOM 1698 CG PRO A 110 -8.857 11.967 -1.872 1.00 2.23 C ATOM 1699 CD PRO A 110 -7.425 12.299 -1.519 1.00 12.31 C ATOM 0 HA PRO A 110 -7.229 11.757 -4.788 1.00 72.34 H new ATOM 0 HB2 PRO A 110 -9.787 11.629 -3.775 1.00 5.13 H new ATOM 0 HB3 PRO A 110 -8.635 10.392 -3.312 1.00 5.13 H new ATOM 0 HG2 PRO A 110 -9.494 12.847 -1.785 1.00 2.23 H new ATOM 0 HG3 PRO A 110 -9.260 11.213 -1.196 1.00 2.23 H new ATOM 0 HD2 PRO A 110 -7.362 13.201 -0.911 1.00 12.31 H new ATOM 0 HD3 PRO A 110 -6.957 11.497 -0.948 1.00 12.31 H new ATOM 1707 N SER A 111 -7.625 14.697 -4.241 1.00 2.22 N ATOM 1708 CA SER A 111 -8.064 16.005 -4.757 1.00 71.32 C ATOM 1709 C SER A 111 -7.548 16.260 -6.181 1.00 32.02 C ATOM 1710 O SER A 111 -8.052 17.131 -6.888 1.00 12.44 O ATOM 1711 CB SER A 111 -7.590 17.134 -3.832 1.00 24.35 C ATOM 1712 OG SER A 111 -7.952 16.884 -2.482 1.00 14.15 O ATOM 0 H SER A 111 -6.814 14.740 -3.624 1.00 2.22 H new ATOM 0 HA SER A 111 -9.153 15.989 -4.787 1.00 71.32 H new ATOM 0 HB2 SER A 111 -6.508 17.237 -3.907 1.00 24.35 H new ATOM 0 HB3 SER A 111 -8.024 18.079 -4.158 1.00 24.35 H new ATOM 0 HG SER A 111 -7.186 16.505 -2.003 1.00 14.15 H new ATOM 1718 N THR A 112 -6.530 15.507 -6.593 1.00 52.21 N ATOM 1719 CA THR A 112 -5.950 15.659 -7.938 1.00 61.04 C ATOM 1720 C THR A 112 -6.511 14.620 -8.924 1.00 74.22 C ATOM 1721 O THR A 112 -6.228 13.423 -8.824 1.00 62.40 O ATOM 1722 CB THR A 112 -4.400 15.566 -7.910 1.00 14.22 C ATOM 1723 OG1 THR A 112 -3.872 15.590 -9.250 1.00 72.10 O ATOM 1724 CG2 THR A 112 -3.924 14.307 -7.183 1.00 11.15 C ATOM 0 H THR A 112 -6.087 14.787 -6.022 1.00 52.21 H new ATOM 0 HA THR A 112 -6.234 16.653 -8.282 1.00 61.04 H new ATOM 0 HB THR A 112 -4.029 16.432 -7.361 1.00 14.22 H new ATOM 0 HG1 THR A 112 -2.894 15.532 -9.217 1.00 72.10 H new ATOM 0 HG21 THR A 112 -2.834 14.276 -7.184 1.00 11.15 H new ATOM 0 HG22 THR A 112 -4.286 14.322 -6.155 1.00 11.15 H new ATOM 0 HG23 THR A 112 -4.312 13.424 -7.692 1.00 11.15 H new ATOM 1732 N ASP A 113 -7.327 15.082 -9.872 1.00 14.53 N ATOM 1733 CA ASP A 113 -7.897 14.206 -10.901 1.00 51.33 C ATOM 1734 C ASP A 113 -6.860 13.840 -11.979 1.00 72.54 C ATOM 1735 O ASP A 113 -6.862 14.395 -13.084 1.00 25.44 O ATOM 1736 CB ASP A 113 -9.126 14.860 -11.545 1.00 74.01 C ATOM 1737 CG ASP A 113 -10.314 14.908 -10.603 1.00 0.31 C ATOM 1738 OD1 ASP A 113 -11.095 13.931 -10.578 1.00 53.40 O ATOM 1739 OD2 ASP A 113 -10.478 15.914 -9.881 1.00 50.25 O ATOM 0 H ASP A 113 -7.610 16.059 -9.950 1.00 14.53 H new ATOM 0 HA ASP A 113 -8.203 13.283 -10.410 1.00 51.33 H new ATOM 0 HB2 ASP A 113 -8.873 15.873 -11.859 1.00 74.01 H new ATOM 0 HB3 ASP A 113 -9.400 14.307 -12.443 1.00 74.01 H new ATOM 1744 N GLY A 114 -5.963 12.920 -11.634 1.00 21.14 N ATOM 1745 CA GLY A 114 -4.955 12.442 -12.579 1.00 75.33 C ATOM 1746 C GLY A 114 -3.997 13.528 -13.069 1.00 1.44 C ATOM 1747 O GLY A 114 -3.926 14.621 -12.499 1.00 20.14 O ATOM 0 H GLY A 114 -5.913 12.491 -10.710 1.00 21.14 H new ATOM 0 HA2 GLY A 114 -4.377 11.648 -12.107 1.00 75.33 H new ATOM 0 HA3 GLY A 114 -5.459 12.001 -13.439 1.00 75.33 H new ATOM 1751 N THR A 115 -3.247 13.217 -14.122 1.00 23.01 N ATOM 1752 CA THR A 115 -2.308 14.174 -14.731 1.00 61.25 C ATOM 1753 C THR A 115 -2.378 14.123 -16.262 1.00 21.32 C ATOM 1754 O THR A 115 -2.653 15.130 -16.919 1.00 2.32 O ATOM 1755 CB THR A 115 -0.844 13.903 -14.299 1.00 13.35 C ATOM 1756 OG1 THR A 115 -0.459 12.569 -14.672 1.00 62.21 O ATOM 1757 CG2 THR A 115 -0.660 14.088 -12.793 1.00 1.02 C ATOM 0 H THR A 115 -3.267 12.305 -14.579 1.00 23.01 H new ATOM 0 HA THR A 115 -2.608 15.161 -14.379 1.00 61.25 H new ATOM 0 HB THR A 115 -0.208 14.626 -14.810 1.00 13.35 H new ATOM 0 HG1 THR A 115 0.403 12.350 -14.261 1.00 62.21 H new ATOM 0 HG21 THR A 115 0.378 13.890 -12.526 1.00 1.02 H new ATOM 0 HG22 THR A 115 -0.916 15.111 -12.518 1.00 1.02 H new ATOM 0 HG23 THR A 115 -1.310 13.395 -12.259 1.00 1.02 H new ATOM 1765 N GLY A 116 -2.122 12.941 -16.820 1.00 61.35 N ATOM 1766 CA GLY A 116 -2.126 12.762 -18.271 1.00 54.04 C ATOM 1767 C GLY A 116 -0.732 12.458 -18.812 1.00 63.20 C ATOM 1768 O GLY A 116 0.147 13.320 -18.772 1.00 63.41 O ATOM 0 H GLY A 116 -1.910 12.095 -16.291 1.00 61.35 H new ATOM 0 HA2 GLY A 116 -2.803 11.949 -18.534 1.00 54.04 H new ATOM 0 HA3 GLY A 116 -2.511 13.664 -18.747 1.00 54.04 H new ATOM 1772 N MET A 117 -0.533 11.237 -19.327 1.00 24.35 N ATOM 1773 CA MET A 117 0.793 10.769 -19.775 1.00 61.14 C ATOM 1774 C MET A 117 1.759 10.589 -18.577 1.00 42.24 C ATOM 1775 O MET A 117 1.536 11.150 -17.499 1.00 71.11 O ATOM 1776 CB MET A 117 1.388 11.733 -20.822 1.00 5.24 C ATOM 1777 CG MET A 117 0.516 11.906 -22.062 1.00 31.22 C ATOM 1778 SD MET A 117 1.236 13.036 -23.274 1.00 41.23 S ATOM 1779 CE MET A 117 2.733 12.154 -23.709 1.00 33.22 C ATOM 0 H MET A 117 -1.277 10.549 -19.446 1.00 24.35 H new ATOM 0 HA MET A 117 0.662 9.794 -20.245 1.00 61.14 H new ATOM 0 HB2 MET A 117 1.543 12.707 -20.359 1.00 5.24 H new ATOM 0 HB3 MET A 117 2.368 11.365 -21.126 1.00 5.24 H new ATOM 0 HG2 MET A 117 0.358 10.933 -22.528 1.00 31.22 H new ATOM 0 HG3 MET A 117 -0.464 12.278 -21.762 1.00 31.22 H new ATOM 0 HE1 MET A 117 3.102 12.515 -24.669 1.00 33.22 H new ATOM 0 HE2 MET A 117 3.490 12.322 -22.943 1.00 33.22 H new ATOM 0 HE3 MET A 117 2.519 11.087 -23.780 1.00 33.22 H new ATOM 1789 N PRO A 118 2.837 9.786 -18.735 1.00 75.25 N ATOM 1790 CA PRO A 118 3.793 9.508 -17.639 1.00 51.45 C ATOM 1791 C PRO A 118 4.429 10.776 -17.034 1.00 52.22 C ATOM 1792 O PRO A 118 5.409 11.305 -17.559 1.00 11.43 O ATOM 1793 CB PRO A 118 4.867 8.633 -18.311 1.00 31.11 C ATOM 1794 CG PRO A 118 4.186 8.036 -19.496 1.00 21.14 C ATOM 1795 CD PRO A 118 3.209 9.075 -19.974 1.00 30.24 C ATOM 0 HA PRO A 118 3.293 9.033 -16.795 1.00 51.45 H new ATOM 0 HB2 PRO A 118 5.731 9.227 -18.609 1.00 31.11 H new ATOM 0 HB3 PRO A 118 5.229 7.861 -17.632 1.00 31.11 H new ATOM 0 HG2 PRO A 118 4.905 7.787 -20.276 1.00 21.14 H new ATOM 0 HG3 PRO A 118 3.674 7.112 -19.228 1.00 21.14 H new ATOM 0 HD2 PRO A 118 3.661 9.747 -20.703 1.00 30.24 H new ATOM 0 HD3 PRO A 118 2.342 8.621 -20.453 1.00 30.24 H new ATOM 1803 N GLN A 119 3.848 11.273 -15.938 1.00 73.12 N ATOM 1804 CA GLN A 119 4.389 12.449 -15.231 1.00 51.23 C ATOM 1805 C GLN A 119 4.921 12.095 -13.827 1.00 55.33 C ATOM 1806 O GLN A 119 5.766 12.813 -13.285 1.00 63.24 O ATOM 1807 CB GLN A 119 3.321 13.551 -15.129 1.00 12.30 C ATOM 1808 CG GLN A 119 2.902 14.124 -16.481 1.00 44.31 C ATOM 1809 CD GLN A 119 1.938 15.293 -16.364 1.00 75.30 C ATOM 1810 OE1 GLN A 119 1.955 16.040 -15.390 1.00 63.20 O ATOM 1811 NE2 GLN A 119 1.092 15.467 -17.355 1.00 52.01 N ATOM 0 H GLN A 119 3.004 10.884 -15.518 1.00 73.12 H new ATOM 0 HA GLN A 119 5.233 12.814 -15.817 1.00 51.23 H new ATOM 0 HB2 GLN A 119 2.442 13.148 -14.627 1.00 12.30 H new ATOM 0 HB3 GLN A 119 3.703 14.358 -14.504 1.00 12.30 H new ATOM 0 HG2 GLN A 119 3.791 14.448 -17.022 1.00 44.31 H new ATOM 0 HG3 GLN A 119 2.437 13.336 -17.074 1.00 44.31 H new ATOM 0 HE21 GLN A 119 1.101 14.830 -18.151 1.00 52.01 H new ATOM 0 HE22 GLN A 119 0.426 16.239 -17.327 1.00 52.01 H new ATOM 1820 N PHE A 120 4.427 10.992 -13.246 1.00 25.33 N ATOM 1821 CA PHE A 120 4.887 10.516 -11.921 1.00 73.01 C ATOM 1822 C PHE A 120 4.603 11.543 -10.801 1.00 75.21 C ATOM 1823 O PHE A 120 3.739 12.411 -10.951 1.00 25.04 O ATOM 1824 CB PHE A 120 6.391 10.188 -11.967 1.00 1.43 C ATOM 1825 CG PHE A 120 6.760 9.136 -12.985 1.00 0.41 C ATOM 1826 CD1 PHE A 120 6.663 7.788 -12.676 1.00 20.42 C ATOM 1827 CD2 PHE A 120 7.201 9.498 -14.254 1.00 14.31 C ATOM 1828 CE1 PHE A 120 7.002 6.823 -13.606 1.00 43.22 C ATOM 1829 CE2 PHE A 120 7.539 8.534 -15.185 1.00 54.31 C ATOM 1830 CZ PHE A 120 7.438 7.196 -14.861 1.00 74.44 C ATOM 0 H PHE A 120 3.707 10.407 -13.670 1.00 25.33 H new ATOM 0 HA PHE A 120 4.323 9.613 -11.687 1.00 73.01 H new ATOM 0 HB2 PHE A 120 6.945 11.101 -12.186 1.00 1.43 H new ATOM 0 HB3 PHE A 120 6.709 9.851 -10.980 1.00 1.43 H new ATOM 0 HD1 PHE A 120 6.319 7.488 -11.697 1.00 20.42 H new ATOM 0 HD2 PHE A 120 7.280 10.543 -14.514 1.00 14.31 H new ATOM 0 HE1 PHE A 120 6.926 5.777 -13.350 1.00 43.22 H new ATOM 0 HE2 PHE A 120 7.882 8.828 -16.166 1.00 54.31 H new ATOM 0 HZ PHE A 120 7.700 6.442 -15.589 1.00 74.44 H new ATOM 1840 N LYS A 121 5.325 11.411 -9.676 1.00 53.33 N ATOM 1841 CA LYS A 121 5.232 12.337 -8.529 1.00 61.33 C ATOM 1842 C LYS A 121 3.957 12.123 -7.695 1.00 63.13 C ATOM 1843 O LYS A 121 2.884 12.640 -8.015 1.00 42.31 O ATOM 1844 CB LYS A 121 5.358 13.795 -8.979 1.00 23.43 C ATOM 1845 CG LYS A 121 6.681 14.078 -9.686 1.00 10.10 C ATOM 1846 CD LYS A 121 7.295 15.392 -9.234 1.00 33.00 C ATOM 1847 CE LYS A 121 7.705 15.351 -7.764 1.00 10.22 C ATOM 1848 NZ LYS A 121 8.407 16.592 -7.346 1.00 3.15 N ATOM 0 H LYS A 121 5.995 10.655 -9.533 1.00 53.33 H new ATOM 0 HA LYS A 121 6.075 12.107 -7.877 1.00 61.33 H new ATOM 0 HB2 LYS A 121 4.533 14.037 -9.649 1.00 23.43 H new ATOM 0 HB3 LYS A 121 5.267 14.449 -8.111 1.00 23.43 H new ATOM 0 HG2 LYS A 121 7.379 13.264 -9.489 1.00 10.10 H new ATOM 0 HG3 LYS A 121 6.518 14.105 -10.763 1.00 10.10 H new ATOM 0 HD2 LYS A 121 8.167 15.616 -9.848 1.00 33.00 H new ATOM 0 HD3 LYS A 121 6.580 16.200 -9.389 1.00 33.00 H new ATOM 0 HE2 LYS A 121 6.819 15.210 -7.145 1.00 10.22 H new ATOM 0 HE3 LYS A 121 8.354 14.492 -7.593 1.00 10.22 H new ATOM 0 HZ1 LYS A 121 8.668 16.522 -6.342 1.00 3.15 H new ATOM 0 HZ2 LYS A 121 9.266 16.714 -7.919 1.00 3.15 H new ATOM 0 HZ3 LYS A 121 7.779 17.409 -7.485 1.00 3.15 H new ATOM 1862 N GLY A 122 4.093 11.357 -6.612 1.00 33.20 N ATOM 1863 CA GLY A 122 2.955 11.028 -5.752 1.00 32.24 C ATOM 1864 C GLY A 122 3.019 11.668 -4.364 1.00 32.10 C ATOM 1865 O GLY A 122 3.693 12.682 -4.166 1.00 33.44 O ATOM 0 H GLY A 122 4.979 10.953 -6.309 1.00 33.20 H new ATOM 0 HA2 GLY A 122 2.036 11.345 -6.245 1.00 32.24 H new ATOM 0 HA3 GLY A 122 2.899 9.945 -5.639 1.00 32.24 H new ATOM 1869 N VAL A 123 2.301 11.071 -3.407 1.00 13.11 N ATOM 1870 CA VAL A 123 2.263 11.556 -2.018 1.00 50.40 C ATOM 1871 C VAL A 123 3.323 10.855 -1.147 1.00 33.14 C ATOM 1872 O VAL A 123 3.459 9.637 -1.189 1.00 63.42 O ATOM 1873 CB VAL A 123 0.862 11.317 -1.395 1.00 54.15 C ATOM 1874 CG1 VAL A 123 0.798 11.831 0.046 1.00 53.43 C ATOM 1875 CG2 VAL A 123 -0.229 11.953 -2.259 1.00 53.55 C ATOM 0 H VAL A 123 1.731 10.241 -3.570 1.00 13.11 H new ATOM 0 HA VAL A 123 2.478 12.624 -2.044 1.00 50.40 H new ATOM 0 HB VAL A 123 0.686 10.242 -1.365 1.00 54.15 H new ATOM 0 HG11 VAL A 123 -0.196 11.649 0.454 1.00 53.43 H new ATOM 0 HG12 VAL A 123 1.540 11.310 0.651 1.00 53.43 H new ATOM 0 HG13 VAL A 123 1.005 12.901 0.060 1.00 53.43 H new ATOM 0 HG21 VAL A 123 -1.203 11.774 -1.805 1.00 53.55 H new ATOM 0 HG22 VAL A 123 -0.055 13.026 -2.333 1.00 53.55 H new ATOM 0 HG23 VAL A 123 -0.207 11.512 -3.256 1.00 53.55 H new ATOM 1885 N LYS A 124 4.062 11.625 -0.354 1.00 41.03 N ATOM 1886 CA LYS A 124 5.116 11.061 0.508 1.00 71.14 C ATOM 1887 C LYS A 124 4.548 10.332 1.741 1.00 72.53 C ATOM 1888 O LYS A 124 3.579 10.782 2.363 1.00 24.15 O ATOM 1889 CB LYS A 124 6.096 12.158 0.964 1.00 41.53 C ATOM 1890 CG LYS A 124 7.129 12.558 -0.087 1.00 74.44 C ATOM 1891 CD LYS A 124 6.498 13.225 -1.306 1.00 14.22 C ATOM 1892 CE LYS A 124 7.539 13.534 -2.372 1.00 42.24 C ATOM 1893 NZ LYS A 124 8.606 14.440 -1.874 1.00 54.30 N ATOM 0 H LYS A 124 3.958 12.637 -0.285 1.00 41.03 H new ATOM 0 HA LYS A 124 5.645 10.325 -0.097 1.00 71.14 H new ATOM 0 HB2 LYS A 124 5.526 13.042 1.250 1.00 41.53 H new ATOM 0 HB3 LYS A 124 6.618 11.813 1.856 1.00 41.53 H new ATOM 0 HG2 LYS A 124 7.853 13.239 0.361 1.00 74.44 H new ATOM 0 HG3 LYS A 124 7.679 11.673 -0.406 1.00 74.44 H new ATOM 0 HD2 LYS A 124 5.731 12.573 -1.723 1.00 14.22 H new ATOM 0 HD3 LYS A 124 6.002 14.147 -1.002 1.00 14.22 H new ATOM 0 HE2 LYS A 124 7.988 12.603 -2.718 1.00 42.24 H new ATOM 0 HE3 LYS A 124 7.050 13.991 -3.232 1.00 42.24 H new ATOM 0 HZ1 LYS A 124 9.193 14.756 -2.672 1.00 54.30 H new ATOM 0 HZ2 LYS A 124 8.173 15.266 -1.414 1.00 54.30 H new ATOM 0 HZ3 LYS A 124 9.200 13.933 -1.187 1.00 54.30 H new ATOM 1907 N GLY A 125 5.174 9.208 2.091 1.00 33.35 N ATOM 1908 CA GLY A 125 4.780 8.449 3.272 1.00 4.32 C ATOM 1909 C GLY A 125 5.773 7.346 3.634 1.00 74.13 C ATOM 1910 O GLY A 125 6.902 7.328 3.140 1.00 71.40 O ATOM 0 H GLY A 125 5.955 8.806 1.572 1.00 33.35 H new ATOM 0 HA2 GLY A 125 4.678 9.130 4.117 1.00 4.32 H new ATOM 0 HA3 GLY A 125 3.799 8.005 3.101 1.00 4.32 H new ATOM 1914 N THR A 126 5.355 6.428 4.499 1.00 15.53 N ATOM 1915 CA THR A 126 6.201 5.304 4.920 1.00 70.43 C ATOM 1916 C THR A 126 5.535 3.958 4.621 1.00 61.32 C ATOM 1917 O THR A 126 4.312 3.866 4.519 1.00 62.14 O ATOM 1918 CB THR A 126 6.512 5.359 6.437 1.00 33.44 C ATOM 1919 OG1 THR A 126 5.293 5.342 7.197 1.00 55.14 O ATOM 1920 CG2 THR A 126 7.319 6.603 6.793 1.00 21.22 C ATOM 0 H THR A 126 4.430 6.436 4.928 1.00 15.53 H new ATOM 0 HA THR A 126 7.127 5.393 4.352 1.00 70.43 H new ATOM 0 HB THR A 126 7.107 4.480 6.685 1.00 33.44 H new ATOM 0 HG1 THR A 126 5.503 5.376 8.154 1.00 55.14 H new ATOM 0 HG21 THR A 126 7.521 6.612 7.864 1.00 21.22 H new ATOM 0 HG22 THR A 126 8.262 6.594 6.246 1.00 21.22 H new ATOM 0 HG23 THR A 126 6.752 7.494 6.523 1.00 21.22 H new ATOM 1928 N VAL A 127 6.349 2.919 4.470 1.00 62.54 N ATOM 1929 CA VAL A 127 5.841 1.551 4.327 1.00 53.54 C ATOM 1930 C VAL A 127 6.570 0.624 5.310 1.00 42.21 C ATOM 1931 O VAL A 127 7.770 0.783 5.539 1.00 53.40 O ATOM 1932 CB VAL A 127 6.027 1.030 2.875 1.00 13.44 C ATOM 1933 CG1 VAL A 127 7.510 0.899 2.525 1.00 55.33 C ATOM 1934 CG2 VAL A 127 5.295 -0.294 2.665 1.00 31.15 C ATOM 0 H VAL A 127 7.366 2.994 4.443 1.00 62.54 H new ATOM 0 HA VAL A 127 4.774 1.558 4.550 1.00 53.54 H new ATOM 0 HB VAL A 127 5.586 1.764 2.200 1.00 13.44 H new ATOM 0 HG11 VAL A 127 7.612 0.533 1.504 1.00 55.33 H new ATOM 0 HG12 VAL A 127 7.992 1.873 2.611 1.00 55.33 H new ATOM 0 HG13 VAL A 127 7.985 0.198 3.211 1.00 55.33 H new ATOM 0 HG21 VAL A 127 5.444 -0.633 1.640 1.00 31.15 H new ATOM 0 HG22 VAL A 127 5.688 -1.041 3.355 1.00 31.15 H new ATOM 0 HG23 VAL A 127 4.230 -0.154 2.850 1.00 31.15 H new ATOM 1944 N GLU A 128 5.861 -0.342 5.886 1.00 34.12 N ATOM 1945 CA GLU A 128 6.454 -1.197 6.924 1.00 54.44 C ATOM 1946 C GLU A 128 5.981 -2.655 6.851 1.00 54.03 C ATOM 1947 O GLU A 128 4.847 -2.945 6.460 1.00 30.33 O ATOM 1948 CB GLU A 128 6.125 -0.633 8.317 1.00 15.00 C ATOM 1949 CG GLU A 128 4.635 -0.385 8.544 1.00 72.21 C ATOM 1950 CD GLU A 128 4.299 0.018 9.974 1.00 64.40 C ATOM 1951 OE1 GLU A 128 4.828 1.046 10.449 1.00 13.41 O ATOM 1952 OE2 GLU A 128 3.503 -0.688 10.630 1.00 21.21 O ATOM 0 H GLU A 128 4.889 -0.555 5.660 1.00 34.12 H new ATOM 0 HA GLU A 128 7.530 -1.195 6.748 1.00 54.44 H new ATOM 0 HB2 GLU A 128 6.488 -1.327 9.075 1.00 15.00 H new ATOM 0 HB3 GLU A 128 6.665 0.303 8.457 1.00 15.00 H new ATOM 0 HG2 GLU A 128 4.297 0.398 7.865 1.00 72.21 H new ATOM 0 HG3 GLU A 128 4.081 -1.289 8.289 1.00 72.21 H new ATOM 1959 N LYS A 129 6.876 -3.567 7.232 1.00 71.51 N ATOM 1960 CA LYS A 129 6.514 -4.968 7.459 1.00 21.41 C ATOM 1961 C LYS A 129 5.799 -5.105 8.813 1.00 65.52 C ATOM 1962 O LYS A 129 6.416 -4.975 9.873 1.00 2.44 O ATOM 1963 CB LYS A 129 7.767 -5.869 7.403 1.00 12.42 C ATOM 1964 CG LYS A 129 7.604 -7.246 8.064 1.00 55.12 C ATOM 1965 CD LYS A 129 6.376 -8.008 7.559 1.00 12.11 C ATOM 1966 CE LYS A 129 6.487 -8.396 6.097 1.00 51.32 C ATOM 1967 NZ LYS A 129 7.517 -9.444 5.857 1.00 72.01 N ATOM 0 H LYS A 129 7.862 -3.360 7.391 1.00 71.51 H new ATOM 0 HA LYS A 129 5.835 -5.293 6.670 1.00 21.41 H new ATOM 0 HB2 LYS A 129 8.046 -6.014 6.359 1.00 12.42 H new ATOM 0 HB3 LYS A 129 8.594 -5.347 7.884 1.00 12.42 H new ATOM 0 HG2 LYS A 129 8.497 -7.842 7.876 1.00 55.12 H new ATOM 0 HG3 LYS A 129 7.527 -7.118 9.144 1.00 55.12 H new ATOM 0 HD2 LYS A 129 6.239 -8.907 8.160 1.00 12.11 H new ATOM 0 HD3 LYS A 129 5.488 -7.392 7.701 1.00 12.11 H new ATOM 0 HE2 LYS A 129 5.520 -8.756 5.747 1.00 51.32 H new ATOM 0 HE3 LYS A 129 6.730 -7.512 5.508 1.00 51.32 H new ATOM 0 HZ1 LYS A 129 7.240 -10.022 5.038 1.00 72.01 H new ATOM 0 HZ2 LYS A 129 8.434 -8.992 5.668 1.00 72.01 H new ATOM 0 HZ3 LYS A 129 7.597 -10.051 6.698 1.00 72.01 H new ATOM 1981 N THR A 130 4.496 -5.371 8.764 1.00 14.42 N ATOM 1982 CA THR A 130 3.664 -5.393 9.971 1.00 71.20 C ATOM 1983 C THR A 130 2.940 -6.734 10.160 1.00 0.30 C ATOM 1984 O THR A 130 2.825 -7.537 9.232 1.00 31.45 O ATOM 1985 CB THR A 130 2.613 -4.258 9.952 1.00 15.21 C ATOM 1986 OG1 THR A 130 1.832 -4.287 11.157 1.00 42.11 O ATOM 1987 CG2 THR A 130 1.691 -4.377 8.743 1.00 74.34 C ATOM 0 H THR A 130 3.990 -5.575 7.902 1.00 14.42 H new ATOM 0 HA THR A 130 4.348 -5.247 10.807 1.00 71.20 H new ATOM 0 HB THR A 130 3.147 -3.310 9.885 1.00 15.21 H new ATOM 0 HG1 THR A 130 1.408 -3.414 11.293 1.00 42.11 H new ATOM 0 HG21 THR A 130 0.964 -3.565 8.759 1.00 74.34 H new ATOM 0 HG22 THR A 130 2.281 -4.318 7.828 1.00 74.34 H new ATOM 0 HG23 THR A 130 1.168 -5.333 8.777 1.00 74.34 H new ATOM 1995 N ASP A 131 2.471 -6.961 11.382 1.00 14.25 N ATOM 1996 CA ASP A 131 1.720 -8.171 11.737 1.00 5.20 C ATOM 1997 C ASP A 131 0.245 -8.065 11.289 1.00 31.45 C ATOM 1998 O ASP A 131 -0.491 -9.054 11.283 1.00 4.55 O ATOM 1999 CB ASP A 131 1.807 -8.369 13.256 1.00 71.44 C ATOM 2000 CG ASP A 131 1.062 -9.596 13.744 1.00 64.12 C ATOM 2001 OD1 ASP A 131 1.590 -10.717 13.595 1.00 62.22 O ATOM 2002 OD2 ASP A 131 -0.051 -9.445 14.295 1.00 61.40 O ATOM 0 H ASP A 131 2.598 -6.313 12.159 1.00 14.25 H new ATOM 0 HA ASP A 131 2.154 -9.029 11.223 1.00 5.20 H new ATOM 0 HB2 ASP A 131 2.855 -8.449 13.546 1.00 71.44 H new ATOM 0 HB3 ASP A 131 1.405 -7.487 13.754 1.00 71.44 H new ATOM 2007 N GLU A 132 -0.162 -6.857 10.907 1.00 20.14 N ATOM 2008 CA GLU A 132 -1.551 -6.568 10.521 1.00 23.41 C ATOM 2009 C GLU A 132 -2.017 -7.385 9.304 1.00 45.51 C ATOM 2010 O GLU A 132 -1.214 -7.892 8.519 1.00 74.22 O ATOM 2011 CB GLU A 132 -1.693 -5.077 10.201 1.00 64.43 C ATOM 2012 CG GLU A 132 -1.275 -4.157 11.342 1.00 53.51 C ATOM 2013 CD GLU A 132 -2.333 -4.009 12.424 1.00 54.20 C ATOM 2014 OE1 GLU A 132 -2.438 -4.896 13.293 1.00 70.40 O ATOM 2015 OE2 GLU A 132 -3.051 -2.981 12.412 1.00 62.11 O ATOM 0 H GLU A 132 0.457 -6.048 10.855 1.00 20.14 H new ATOM 0 HA GLU A 132 -2.180 -6.849 11.366 1.00 23.41 H new ATOM 0 HB2 GLU A 132 -1.092 -4.845 9.322 1.00 64.43 H new ATOM 0 HB3 GLU A 132 -2.731 -4.869 9.941 1.00 64.43 H new ATOM 0 HG2 GLU A 132 -0.359 -4.542 11.791 1.00 53.51 H new ATOM 0 HG3 GLU A 132 -1.042 -3.172 10.937 1.00 53.51 H new ATOM 2022 N LYS A 133 -3.331 -7.487 9.156 1.00 34.34 N ATOM 2023 CA LYS A 133 -3.941 -8.151 7.997 1.00 44.01 C ATOM 2024 C LYS A 133 -4.303 -7.131 6.909 1.00 72.42 C ATOM 2025 O LYS A 133 -4.435 -5.939 7.184 1.00 54.25 O ATOM 2026 CB LYS A 133 -5.215 -8.892 8.423 1.00 3.34 C ATOM 2027 CG LYS A 133 -6.346 -7.950 8.836 1.00 74.11 C ATOM 2028 CD LYS A 133 -7.663 -8.683 9.081 1.00 40.13 C ATOM 2029 CE LYS A 133 -8.811 -7.701 9.292 1.00 4.33 C ATOM 2030 NZ LYS A 133 -10.101 -8.391 9.539 1.00 51.34 N ATOM 0 H LYS A 133 -4.005 -7.117 9.826 1.00 34.34 H new ATOM 0 HA LYS A 133 -3.214 -8.858 7.597 1.00 44.01 H new ATOM 0 HB2 LYS A 133 -5.555 -9.520 7.600 1.00 3.34 H new ATOM 0 HB3 LYS A 133 -4.981 -9.556 9.255 1.00 3.34 H new ATOM 0 HG2 LYS A 133 -6.057 -7.417 9.742 1.00 74.11 H new ATOM 0 HG3 LYS A 133 -6.491 -7.200 8.058 1.00 74.11 H new ATOM 0 HD2 LYS A 133 -7.886 -9.329 8.232 1.00 40.13 H new ATOM 0 HD3 LYS A 133 -7.567 -9.327 9.955 1.00 40.13 H new ATOM 0 HE2 LYS A 133 -8.581 -7.052 10.137 1.00 4.33 H new ATOM 0 HE3 LYS A 133 -8.905 -7.061 8.415 1.00 4.33 H new ATOM 0 HZ1 LYS A 133 -10.875 -7.696 9.525 1.00 51.34 H new ATOM 0 HZ2 LYS A 133 -10.261 -9.103 8.798 1.00 51.34 H new ATOM 0 HZ3 LYS A 133 -10.072 -8.858 10.468 1.00 51.34 H new ATOM 2044 N VAL A 134 -4.477 -7.605 5.677 1.00 5.11 N ATOM 2045 CA VAL A 134 -4.949 -6.744 4.590 1.00 2.34 C ATOM 2046 C VAL A 134 -6.434 -6.408 4.769 1.00 62.24 C ATOM 2047 O VAL A 134 -7.241 -7.278 5.105 1.00 12.51 O ATOM 2048 CB VAL A 134 -4.734 -7.403 3.201 1.00 44.13 C ATOM 2049 CG1 VAL A 134 -5.379 -6.574 2.087 1.00 52.23 C ATOM 2050 CG2 VAL A 134 -3.248 -7.595 2.923 1.00 13.43 C ATOM 0 H VAL A 134 -4.300 -8.572 5.406 1.00 5.11 H new ATOM 0 HA VAL A 134 -4.362 -5.827 4.632 1.00 2.34 H new ATOM 0 HB VAL A 134 -5.217 -8.380 3.219 1.00 44.13 H new ATOM 0 HG11 VAL A 134 -5.211 -7.062 1.127 1.00 52.23 H new ATOM 0 HG12 VAL A 134 -6.450 -6.491 2.269 1.00 52.23 H new ATOM 0 HG13 VAL A 134 -4.935 -5.579 2.071 1.00 52.23 H new ATOM 0 HG21 VAL A 134 -3.118 -8.058 1.945 1.00 13.43 H new ATOM 0 HG22 VAL A 134 -2.747 -6.627 2.936 1.00 13.43 H new ATOM 0 HG23 VAL A 134 -2.815 -8.238 3.689 1.00 13.43 H new ATOM 2060 N LEU A 135 -6.787 -5.146 4.554 1.00 61.33 N ATOM 2061 CA LEU A 135 -8.184 -4.714 4.658 1.00 21.30 C ATOM 2062 C LEU A 135 -9.013 -5.207 3.467 1.00 61.14 C ATOM 2063 O LEU A 135 -8.596 -5.078 2.320 1.00 73.20 O ATOM 2064 CB LEU A 135 -8.279 -3.178 4.746 1.00 42.41 C ATOM 2065 CG LEU A 135 -8.158 -2.583 6.157 1.00 22.42 C ATOM 2066 CD1 LEU A 135 -8.208 -1.056 6.109 1.00 3.33 C ATOM 2067 CD2 LEU A 135 -9.267 -3.129 7.053 1.00 32.43 C ATOM 0 H LEU A 135 -6.132 -4.404 4.308 1.00 61.33 H new ATOM 0 HA LEU A 135 -8.588 -5.152 5.570 1.00 21.30 H new ATOM 0 HB2 LEU A 135 -7.496 -2.748 4.122 1.00 42.41 H new ATOM 0 HB3 LEU A 135 -9.233 -2.866 4.321 1.00 42.41 H new ATOM 0 HG LEU A 135 -7.194 -2.875 6.575 1.00 22.42 H new ATOM 0 HD11 LEU A 135 -8.121 -0.657 7.120 1.00 3.33 H new ATOM 0 HD12 LEU A 135 -7.384 -0.684 5.500 1.00 3.33 H new ATOM 0 HD13 LEU A 135 -9.155 -0.736 5.674 1.00 3.33 H new ATOM 0 HD21 LEU A 135 -9.172 -2.701 8.051 1.00 32.43 H new ATOM 0 HD22 LEU A 135 -10.237 -2.862 6.634 1.00 32.43 H new ATOM 0 HD23 LEU A 135 -9.184 -4.214 7.114 1.00 32.43 H new ATOM 2079 N SER A 136 -10.180 -5.781 3.745 1.00 64.25 N ATOM 2080 CA SER A 136 -11.141 -6.097 2.682 1.00 41.24 C ATOM 2081 C SER A 136 -11.785 -4.800 2.183 1.00 72.24 C ATOM 2082 O SER A 136 -11.969 -3.867 2.961 1.00 70.32 O ATOM 2083 CB SER A 136 -12.222 -7.068 3.182 1.00 73.20 C ATOM 2084 OG SER A 136 -13.121 -7.428 2.140 1.00 51.45 O ATOM 0 H SER A 136 -10.485 -6.036 4.684 1.00 64.25 H new ATOM 0 HA SER A 136 -10.611 -6.584 1.863 1.00 41.24 H new ATOM 0 HB2 SER A 136 -11.750 -7.965 3.583 1.00 73.20 H new ATOM 0 HB3 SER A 136 -12.777 -6.607 4.000 1.00 73.20 H new ATOM 0 HG SER A 136 -13.795 -8.047 2.489 1.00 51.45 H new ATOM 2090 N VAL A 137 -12.134 -4.745 0.899 1.00 44.44 N ATOM 2091 CA VAL A 137 -12.629 -3.506 0.275 1.00 70.34 C ATOM 2092 C VAL A 137 -13.689 -2.792 1.133 1.00 53.24 C ATOM 2093 O VAL A 137 -13.562 -1.603 1.430 1.00 54.11 O ATOM 2094 CB VAL A 137 -13.211 -3.784 -1.135 1.00 33.22 C ATOM 2095 CG1 VAL A 137 -13.803 -2.512 -1.748 1.00 4.14 C ATOM 2096 CG2 VAL A 137 -12.138 -4.372 -2.050 1.00 12.12 C ATOM 0 H VAL A 137 -12.085 -5.542 0.264 1.00 44.44 H new ATOM 0 HA VAL A 137 -11.766 -2.846 0.190 1.00 70.34 H new ATOM 0 HB VAL A 137 -14.016 -4.512 -1.030 1.00 33.22 H new ATOM 0 HG11 VAL A 137 -14.204 -2.737 -2.736 1.00 4.14 H new ATOM 0 HG12 VAL A 137 -14.603 -2.138 -1.109 1.00 4.14 H new ATOM 0 HG13 VAL A 137 -13.025 -1.754 -1.836 1.00 4.14 H new ATOM 0 HG21 VAL A 137 -12.564 -4.561 -3.035 1.00 12.12 H new ATOM 0 HG22 VAL A 137 -11.311 -3.667 -2.141 1.00 12.12 H new ATOM 0 HG23 VAL A 137 -11.772 -5.308 -1.627 1.00 12.12 H new ATOM 2106 N LYS A 138 -14.727 -3.512 1.539 1.00 31.40 N ATOM 2107 CA LYS A 138 -15.779 -2.918 2.367 1.00 12.12 C ATOM 2108 C LYS A 138 -15.299 -2.675 3.812 1.00 73.52 C ATOM 2109 O LYS A 138 -15.678 -1.686 4.433 1.00 64.02 O ATOM 2110 CB LYS A 138 -17.040 -3.790 2.375 1.00 64.13 C ATOM 2111 CG LYS A 138 -18.278 -3.047 2.879 1.00 11.51 C ATOM 2112 CD LYS A 138 -19.491 -3.962 3.012 1.00 45.21 C ATOM 2113 CE LYS A 138 -19.326 -4.951 4.157 1.00 43.04 C ATOM 2114 NZ LYS A 138 -20.535 -5.798 4.335 1.00 34.43 N ATOM 0 H LYS A 138 -14.866 -4.497 1.314 1.00 31.40 H new ATOM 0 HA LYS A 138 -16.024 -1.954 1.922 1.00 12.12 H new ATOM 0 HB2 LYS A 138 -17.228 -4.156 1.366 1.00 64.13 H new ATOM 0 HB3 LYS A 138 -16.867 -4.664 3.003 1.00 64.13 H new ATOM 0 HG2 LYS A 138 -18.059 -2.596 3.847 1.00 11.51 H new ATOM 0 HG3 LYS A 138 -18.514 -2.233 2.194 1.00 11.51 H new ATOM 0 HD2 LYS A 138 -20.385 -3.360 3.177 1.00 45.21 H new ATOM 0 HD3 LYS A 138 -19.641 -4.506 2.079 1.00 45.21 H new ATOM 0 HE2 LYS A 138 -18.462 -5.587 3.966 1.00 43.04 H new ATOM 0 HE3 LYS A 138 -19.124 -4.408 5.080 1.00 43.04 H new ATOM 0 HZ1 LYS A 138 -20.383 -6.458 5.124 1.00 34.43 H new ATOM 0 HZ2 LYS A 138 -21.355 -5.193 4.543 1.00 34.43 H new ATOM 0 HZ3 LYS A 138 -20.713 -6.336 3.463 1.00 34.43 H new ATOM 2128 N GLU A 139 -14.455 -3.569 4.337 1.00 24.20 N ATOM 2129 CA GLU A 139 -13.918 -3.417 5.695 1.00 60.54 C ATOM 2130 C GLU A 139 -13.112 -2.117 5.802 1.00 14.51 C ATOM 2131 O GLU A 139 -13.090 -1.451 6.839 1.00 23.20 O ATOM 2132 CB GLU A 139 -13.047 -4.631 6.051 1.00 72.11 C ATOM 2133 CG GLU A 139 -12.436 -4.579 7.450 1.00 13.54 C ATOM 2134 CD GLU A 139 -11.713 -5.865 7.830 1.00 42.53 C ATOM 2135 OE1 GLU A 139 -10.975 -6.415 6.984 1.00 1.42 O ATOM 2136 OE2 GLU A 139 -11.871 -6.324 8.985 1.00 35.13 O ATOM 0 H GLU A 139 -14.130 -4.402 3.846 1.00 24.20 H new ATOM 0 HA GLU A 139 -14.744 -3.365 6.404 1.00 60.54 H new ATOM 0 HB2 GLU A 139 -13.651 -5.534 5.965 1.00 72.11 H new ATOM 0 HB3 GLU A 139 -12.243 -4.714 5.319 1.00 72.11 H new ATOM 0 HG2 GLU A 139 -11.736 -3.745 7.504 1.00 13.54 H new ATOM 0 HG3 GLU A 139 -13.223 -4.382 8.178 1.00 13.54 H new ATOM 2143 N LEU A 140 -12.459 -1.768 4.701 1.00 40.03 N ATOM 2144 CA LEU A 140 -11.795 -0.487 4.545 1.00 31.31 C ATOM 2145 C LEU A 140 -12.811 0.662 4.674 1.00 42.02 C ATOM 2146 O LEU A 140 -12.565 1.656 5.362 1.00 71.54 O ATOM 2147 CB LEU A 140 -11.110 -0.470 3.174 1.00 62.32 C ATOM 2148 CG LEU A 140 -9.952 0.516 3.030 1.00 72.43 C ATOM 2149 CD1 LEU A 140 -9.061 0.110 1.871 1.00 71.01 C ATOM 2150 CD2 LEU A 140 -10.459 1.939 2.834 1.00 24.41 C ATOM 0 H LEU A 140 -12.377 -2.375 3.885 1.00 40.03 H new ATOM 0 HA LEU A 140 -11.049 -0.348 5.327 1.00 31.31 H new ATOM 0 HB2 LEU A 140 -10.740 -1.472 2.960 1.00 62.32 H new ATOM 0 HB3 LEU A 140 -11.858 -0.238 2.416 1.00 62.32 H new ATOM 0 HG LEU A 140 -9.371 0.492 3.952 1.00 72.43 H new ATOM 0 HD11 LEU A 140 -8.239 0.820 1.778 1.00 71.01 H new ATOM 0 HD12 LEU A 140 -8.660 -0.887 2.052 1.00 71.01 H new ATOM 0 HD13 LEU A 140 -9.643 0.105 0.949 1.00 71.01 H new ATOM 0 HD21 LEU A 140 -9.611 2.617 2.735 1.00 24.41 H new ATOM 0 HD22 LEU A 140 -11.069 1.987 1.932 1.00 24.41 H new ATOM 0 HD23 LEU A 140 -11.060 2.233 3.695 1.00 24.41 H new ATOM 2162 N LEU A 141 -13.967 0.503 4.026 1.00 25.33 N ATOM 2163 CA LEU A 141 -15.047 1.493 4.118 1.00 11.51 C ATOM 2164 C LEU A 141 -15.528 1.620 5.573 1.00 24.11 C ATOM 2165 O LEU A 141 -15.778 2.721 6.069 1.00 21.05 O ATOM 2166 CB LEU A 141 -16.225 1.102 3.208 1.00 14.32 C ATOM 2167 CG LEU A 141 -15.858 0.744 1.755 1.00 71.03 C ATOM 2168 CD1 LEU A 141 -17.115 0.498 0.923 1.00 30.43 C ATOM 2169 CD2 LEU A 141 -14.989 1.829 1.122 1.00 51.23 C ATOM 0 H LEU A 141 -14.181 -0.299 3.433 1.00 25.33 H new ATOM 0 HA LEU A 141 -14.657 2.455 3.786 1.00 11.51 H new ATOM 0 HB2 LEU A 141 -16.737 0.250 3.654 1.00 14.32 H new ATOM 0 HB3 LEU A 141 -16.936 1.928 3.191 1.00 14.32 H new ATOM 0 HG LEU A 141 -15.277 -0.178 1.774 1.00 71.03 H new ATOM 0 HD11 LEU A 141 -16.831 0.247 -0.099 1.00 30.43 H new ATOM 0 HD12 LEU A 141 -17.682 -0.327 1.355 1.00 30.43 H new ATOM 0 HD13 LEU A 141 -17.730 1.398 0.918 1.00 30.43 H new ATOM 0 HD21 LEU A 141 -14.746 1.549 0.097 1.00 51.23 H new ATOM 0 HD22 LEU A 141 -15.531 2.775 1.121 1.00 51.23 H new ATOM 0 HD23 LEU A 141 -14.069 1.939 1.696 1.00 51.23 H new ATOM 2181 N GLU A 142 -15.640 0.478 6.251 1.00 32.31 N ATOM 2182 CA GLU A 142 -16.007 0.440 7.671 1.00 75.33 C ATOM 2183 C GLU A 142 -14.927 1.117 8.538 1.00 30.22 C ATOM 2184 O GLU A 142 -15.229 1.762 9.543 1.00 61.32 O ATOM 2185 CB GLU A 142 -16.221 -1.019 8.117 1.00 34.50 C ATOM 2186 CG GLU A 142 -17.305 -1.750 7.323 1.00 13.42 C ATOM 2187 CD GLU A 142 -17.479 -3.205 7.747 1.00 5.55 C ATOM 2188 OE1 GLU A 142 -18.124 -3.453 8.790 1.00 52.52 O ATOM 2189 OE2 GLU A 142 -16.986 -4.109 7.038 1.00 2.51 O ATOM 0 H GLU A 142 -15.481 -0.441 5.838 1.00 32.31 H new ATOM 0 HA GLU A 142 -16.937 0.992 7.804 1.00 75.33 H new ATOM 0 HB2 GLU A 142 -15.281 -1.562 8.017 1.00 34.50 H new ATOM 0 HB3 GLU A 142 -16.486 -1.032 9.174 1.00 34.50 H new ATOM 0 HG2 GLU A 142 -18.253 -1.226 7.446 1.00 13.42 H new ATOM 0 HG3 GLU A 142 -17.057 -1.714 6.262 1.00 13.42 H new ATOM 2196 N ALA A 143 -13.667 0.975 8.131 1.00 54.25 N ATOM 2197 CA ALA A 143 -12.544 1.610 8.832 1.00 5.22 C ATOM 2198 C ALA A 143 -12.602 3.144 8.732 1.00 10.41 C ATOM 2199 O ALA A 143 -12.241 3.853 9.674 1.00 34.44 O ATOM 2200 CB ALA A 143 -11.219 1.090 8.283 1.00 3.53 C ATOM 0 H ALA A 143 -13.394 0.425 7.317 1.00 54.25 H new ATOM 0 HA ALA A 143 -12.621 1.348 9.887 1.00 5.22 H new ATOM 0 HB1 ALA A 143 -10.394 1.568 8.811 1.00 3.53 H new ATOM 0 HB2 ALA A 143 -11.164 0.011 8.426 1.00 3.53 H new ATOM 0 HB3 ALA A 143 -11.151 1.319 7.219 1.00 3.53 H new ATOM 2206 N ILE A 144 -13.052 3.655 7.584 1.00 62.24 N ATOM 2207 CA ILE A 144 -13.200 5.105 7.392 1.00 53.04 C ATOM 2208 C ILE A 144 -14.590 5.607 7.836 1.00 4.14 C ATOM 2209 O ILE A 144 -14.795 6.809 8.024 1.00 74.23 O ATOM 2210 CB ILE A 144 -12.943 5.515 5.928 1.00 11.12 C ATOM 2211 CG1 ILE A 144 -14.008 4.932 5.005 1.00 4.21 C ATOM 2212 CG2 ILE A 144 -11.554 5.067 5.488 1.00 13.12 C ATOM 2213 CD1 ILE A 144 -13.852 5.367 3.571 1.00 10.31 C ATOM 0 H ILE A 144 -13.320 3.093 6.776 1.00 62.24 H new ATOM 0 HA ILE A 144 -12.446 5.575 8.024 1.00 53.04 H new ATOM 0 HB ILE A 144 -12.996 6.602 5.864 1.00 11.12 H new ATOM 0 HG12 ILE A 144 -13.967 3.844 5.055 1.00 4.21 H new ATOM 0 HG13 ILE A 144 -14.993 5.230 5.363 1.00 4.21 H new ATOM 0 HG21 ILE A 144 -11.387 5.363 4.452 1.00 13.12 H new ATOM 0 HG22 ILE A 144 -10.802 5.534 6.125 1.00 13.12 H new ATOM 0 HG23 ILE A 144 -11.478 3.983 5.572 1.00 13.12 H new ATOM 0 HD11 ILE A 144 -14.640 4.918 2.967 1.00 10.31 H new ATOM 0 HD12 ILE A 144 -13.923 6.453 3.510 1.00 10.31 H new ATOM 0 HD13 ILE A 144 -12.880 5.045 3.197 1.00 10.31 H new ATOM 2225 N GLY A 145 -15.543 4.683 7.995 1.00 53.31 N ATOM 2226 CA GLY A 145 -16.882 5.042 8.466 1.00 51.45 C ATOM 2227 C GLY A 145 -17.934 5.101 7.359 1.00 33.11 C ATOM 2228 O GLY A 145 -19.122 5.272 7.634 1.00 14.10 O ATOM 0 H GLY A 145 -15.413 3.689 7.806 1.00 53.31 H new ATOM 0 HA2 GLY A 145 -17.199 4.317 9.216 1.00 51.45 H new ATOM 0 HA3 GLY A 145 -16.834 6.012 8.960 1.00 51.45 H new ATOM 2232 N SER A 146 -17.507 4.947 6.107 1.00 34.22 N ATOM 2233 CA SER A 146 -18.428 5.005 4.957 1.00 52.02 C ATOM 2234 C SER A 146 -18.835 3.606 4.479 1.00 21.34 C ATOM 2235 O SER A 146 -18.922 2.656 5.266 1.00 61.50 O ATOM 2236 CB SER A 146 -17.793 5.774 3.792 1.00 61.32 C ATOM 2237 OG SER A 146 -18.610 5.714 2.634 1.00 31.23 O ATOM 0 H SER A 146 -16.532 4.781 5.856 1.00 34.22 H new ATOM 0 HA SER A 146 -19.324 5.526 5.295 1.00 52.02 H new ATOM 0 HB2 SER A 146 -17.640 6.814 4.079 1.00 61.32 H new ATOM 0 HB3 SER A 146 -16.811 5.357 3.570 1.00 61.32 H new ATOM 0 HG SER A 146 -18.184 6.213 1.907 1.00 31.23 H new TER 2243 SER A 146