USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 916 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 68 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.2) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.464 K(o=-0.46,f=-1.8) USER MOD Single : A 14 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.54) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.0516 X(o=-0.052,f=-0.073) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 0.944 (180deg=0.558) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -21:sc= -2.06 USER MOD Single : A 50 ASN : amide:sc= 0.086 K(o=0.086,f=-2.4!) USER MOD Single : A 55 THR OG1 : rot 62:sc= 0.118 USER MOD Single : A 57 HIS : no HE2:sc= -1.27 X(o=-1.3,f=-1.6) USER MOD Single : A 59 GLN : amide:sc= -3.46 K(o=-3.5,f=-12!) USER MOD Single : A 63 ASN : amide:sc= -1.87 K(o=-1.9,f=-7.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.047 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= -0.36 (180deg=-0.491) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 CYS SG : rot 178:sc= -1.25 USER MOD Single : A 82 HIS : no HD1:sc= 0.217 K(o=0.22,f=-0.92) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0368 X(o=-0.037,f=-0.0098) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -1.81 K(o=-1.8,f=-2.8!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 79:sc= 0.0681 USER MOD Single : A 98 SER OG : rot -55:sc= 0.101 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.021) USER MOD Single : A 105 MET CE :methyl 160:sc= -1.73 (180deg=-3.32) USER MOD Single : A 107 CYS SG : rot 30:sc= 0.356 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 42.160 3.781 8.234 1.00 34.52 N ATOM 2 CA PRO A 2 40.937 3.116 8.695 1.00 0.25 C ATOM 3 C PRO A 2 40.257 2.319 7.588 1.00 63.33 C ATOM 4 O PRO A 2 40.731 2.288 6.452 1.00 54.22 O ATOM 5 CB PRO A 2 40.047 4.280 9.140 1.00 62.30 C ATOM 6 CG PRO A 2 40.528 5.447 8.349 1.00 14.44 C ATOM 7 CD PRO A 2 42.006 5.243 8.166 1.00 1.52 C ATOM 0 HA PRO A 2 41.140 2.391 9.483 1.00 0.25 H new ATOM 0 HB2 PRO A 2 38.995 4.073 8.941 1.00 62.30 H new ATOM 0 HB3 PRO A 2 40.139 4.462 10.211 1.00 62.30 H new ATOM 0 HG2 PRO A 2 40.020 5.502 7.386 1.00 14.44 H new ATOM 0 HG3 PRO A 2 40.325 6.382 8.871 1.00 14.44 H new ATOM 0 HD2 PRO A 2 42.351 5.639 7.211 1.00 1.52 H new ATOM 0 HD3 PRO A 2 42.580 5.744 8.945 1.00 1.52 H new ATOM 15 N SER A 3 39.145 1.675 7.926 1.00 73.24 N ATOM 16 CA SER A 3 38.401 0.874 6.960 1.00 45.13 C ATOM 17 C SER A 3 36.909 0.888 7.276 1.00 21.14 C ATOM 18 O SER A 3 36.452 1.639 8.138 1.00 11.11 O ATOM 19 CB SER A 3 38.920 -0.565 6.953 1.00 74.44 C ATOM 20 OG SER A 3 39.041 -1.057 5.629 1.00 34.31 O ATOM 0 H SER A 3 38.739 1.692 8.861 1.00 73.24 H new ATOM 0 HA SER A 3 38.548 1.311 5.972 1.00 45.13 H new ATOM 0 HB2 SER A 3 39.889 -0.608 7.450 1.00 74.44 H new ATOM 0 HB3 SER A 3 38.242 -1.202 7.521 1.00 74.44 H new ATOM 0 HG SER A 3 39.376 -1.978 5.651 1.00 34.31 H new ATOM 26 N LYS A 4 36.154 0.051 6.573 1.00 52.20 N ATOM 27 CA LYS A 4 34.713 -0.036 6.778 1.00 52.13 C ATOM 28 C LYS A 4 34.250 -1.489 6.780 1.00 64.53 C ATOM 29 O LYS A 4 35.065 -2.411 6.724 1.00 72.12 O ATOM 30 CB LYS A 4 33.974 0.744 5.688 1.00 70.02 C ATOM 31 CG LYS A 4 34.307 2.226 5.668 1.00 20.23 C ATOM 32 CD LYS A 4 35.155 2.591 4.461 1.00 21.25 C ATOM 33 CE LYS A 4 36.191 3.650 4.808 1.00 74.33 C ATOM 34 NZ LYS A 4 35.642 5.027 4.670 1.00 5.41 N ATOM 0 H LYS A 4 36.516 -0.577 5.856 1.00 52.20 H new ATOM 0 HA LYS A 4 34.483 0.402 7.749 1.00 52.13 H new ATOM 0 HB2 LYS A 4 34.216 0.313 4.717 1.00 70.02 H new ATOM 0 HB3 LYS A 4 32.900 0.623 5.831 1.00 70.02 H new ATOM 0 HG2 LYS A 4 33.385 2.807 5.655 1.00 20.23 H new ATOM 0 HG3 LYS A 4 34.839 2.493 6.581 1.00 20.23 H new ATOM 0 HD2 LYS A 4 35.656 1.700 4.084 1.00 21.25 H new ATOM 0 HD3 LYS A 4 34.512 2.958 3.661 1.00 21.25 H new ATOM 0 HE2 LYS A 4 36.538 3.498 5.830 1.00 74.33 H new ATOM 0 HE3 LYS A 4 37.058 3.537 4.157 1.00 74.33 H new ATOM 0 HZ1 LYS A 4 36.378 5.720 4.915 1.00 5.41 H new ATOM 0 HZ2 LYS A 4 35.334 5.181 3.689 1.00 5.41 H new ATOM 0 HZ3 LYS A 4 34.830 5.143 5.310 1.00 5.41 H new ATOM 48 N LYS A 5 32.938 -1.688 6.843 1.00 61.01 N ATOM 49 CA LYS A 5 32.366 -3.029 6.849 1.00 22.21 C ATOM 50 C LYS A 5 31.352 -3.193 5.722 1.00 61.55 C ATOM 51 O LYS A 5 31.066 -2.248 4.989 1.00 45.34 O ATOM 52 CB LYS A 5 31.698 -3.315 8.196 1.00 51.31 C ATOM 53 CG LYS A 5 32.684 -3.602 9.315 1.00 34.41 C ATOM 54 CD LYS A 5 32.286 -2.901 10.603 1.00 54.42 C ATOM 55 CE LYS A 5 33.490 -2.654 11.498 1.00 0.03 C ATOM 56 NZ LYS A 5 33.178 -2.911 12.931 1.00 35.34 N ATOM 0 H LYS A 5 32.250 -0.937 6.891 1.00 61.01 H new ATOM 0 HA LYS A 5 33.175 -3.743 6.693 1.00 22.21 H new ATOM 0 HB2 LYS A 5 31.083 -2.460 8.476 1.00 51.31 H new ATOM 0 HB3 LYS A 5 31.028 -4.168 8.086 1.00 51.31 H new ATOM 0 HG2 LYS A 5 32.738 -4.677 9.487 1.00 34.41 H new ATOM 0 HG3 LYS A 5 33.680 -3.277 9.016 1.00 34.41 H new ATOM 0 HD2 LYS A 5 31.805 -1.951 10.368 1.00 54.42 H new ATOM 0 HD3 LYS A 5 31.553 -3.506 11.136 1.00 54.42 H new ATOM 0 HE2 LYS A 5 34.313 -3.296 11.185 1.00 0.03 H new ATOM 0 HE3 LYS A 5 33.826 -1.624 11.379 1.00 0.03 H new ATOM 0 HZ1 LYS A 5 34.024 -2.731 13.508 1.00 35.34 H new ATOM 0 HZ2 LYS A 5 32.410 -2.281 13.237 1.00 35.34 H new ATOM 0 HZ3 LYS A 5 32.882 -3.901 13.050 1.00 35.34 H new ATOM 70 N ASN A 6 30.811 -4.400 5.590 1.00 74.11 N ATOM 71 CA ASN A 6 29.827 -4.687 4.552 1.00 62.41 C ATOM 72 C ASN A 6 29.110 -6.004 4.832 1.00 73.41 C ATOM 73 O ASN A 6 29.622 -6.862 5.550 1.00 13.13 O ATOM 74 CB ASN A 6 30.504 -4.744 3.181 1.00 51.22 C ATOM 75 CG ASN A 6 31.296 -6.021 2.979 1.00 32.31 C ATOM 76 OD1 ASN A 6 32.336 -6.225 3.605 1.00 30.52 O ATOM 77 ND2 ASN A 6 30.806 -6.889 2.101 1.00 53.41 N ATOM 0 H ASN A 6 31.037 -5.195 6.188 1.00 74.11 H new ATOM 0 HA ASN A 6 29.089 -3.884 4.553 1.00 62.41 H new ATOM 0 HB2 ASN A 6 29.747 -4.662 2.401 1.00 51.22 H new ATOM 0 HB3 ASN A 6 31.168 -3.887 3.071 1.00 51.22 H new ATOM 0 HD21 ASN A 6 31.295 -7.766 1.923 1.00 53.41 H new ATOM 0 HD22 ASN A 6 29.940 -6.678 1.605 1.00 53.41 H new ATOM 84 N GLY A 7 27.920 -6.158 4.258 1.00 0.31 N ATOM 85 CA GLY A 7 27.151 -7.373 4.457 1.00 5.53 C ATOM 86 C GLY A 7 25.657 -7.130 4.394 1.00 54.24 C ATOM 87 O GLY A 7 25.202 -5.988 4.473 1.00 64.33 O ATOM 0 H GLY A 7 27.475 -5.463 3.659 1.00 0.31 H new ATOM 0 HA2 GLY A 7 27.429 -8.104 3.698 1.00 5.53 H new ATOM 0 HA3 GLY A 7 27.405 -7.806 5.425 1.00 5.53 H new ATOM 91 N ARG A 8 24.890 -8.205 4.249 1.00 73.55 N ATOM 92 CA ARG A 8 23.437 -8.104 4.171 1.00 4.51 C ATOM 93 C ARG A 8 22.799 -8.386 5.528 1.00 24.01 C ATOM 94 O ARG A 8 23.495 -8.553 6.530 1.00 43.13 O ATOM 95 CB ARG A 8 22.891 -9.078 3.126 1.00 24.31 C ATOM 96 CG ARG A 8 23.406 -8.815 1.720 1.00 33.03 C ATOM 97 CD ARG A 8 22.437 -7.955 0.925 1.00 53.35 C ATOM 98 NE ARG A 8 23.100 -6.806 0.313 1.00 73.11 N ATOM 99 CZ ARG A 8 22.587 -6.114 -0.698 1.00 53.02 C ATOM 100 NH1 ARG A 8 21.411 -6.452 -1.208 1.00 75.12 N ATOM 101 NH2 ARG A 8 23.250 -5.081 -1.201 1.00 5.21 N ATOM 0 H ARG A 8 25.250 -9.157 4.183 1.00 73.55 H new ATOM 0 HA ARG A 8 23.184 -7.086 3.874 1.00 4.51 H new ATOM 0 HB2 ARG A 8 23.155 -10.095 3.416 1.00 24.31 H new ATOM 0 HB3 ARG A 8 21.803 -9.020 3.122 1.00 24.31 H new ATOM 0 HG2 ARG A 8 24.375 -8.319 1.773 1.00 33.03 H new ATOM 0 HG3 ARG A 8 23.561 -9.763 1.204 1.00 33.03 H new ATOM 0 HD2 ARG A 8 21.969 -8.560 0.148 1.00 53.35 H new ATOM 0 HD3 ARG A 8 21.640 -7.606 1.581 1.00 53.35 H new ATOM 0 HE ARG A 8 24.007 -6.519 0.682 1.00 73.11 H new ATOM 0 HH11 ARG A 8 20.898 -7.245 -0.824 1.00 75.12 H new ATOM 0 HH12 ARG A 8 21.020 -5.919 -1.984 1.00 75.12 H new ATOM 0 HH21 ARG A 8 24.155 -4.817 -0.811 1.00 5.21 H new ATOM 0 HH22 ARG A 8 22.855 -4.551 -1.977 1.00 5.21 H new ATOM 115 N SER A 9 21.471 -8.438 5.553 1.00 45.42 N ATOM 116 CA SER A 9 20.739 -8.695 6.787 1.00 23.42 C ATOM 117 C SER A 9 19.299 -9.103 6.490 1.00 44.12 C ATOM 118 O SER A 9 18.792 -10.078 7.042 1.00 72.24 O ATOM 119 CB SER A 9 20.756 -7.455 7.683 1.00 33.43 C ATOM 120 OG SER A 9 19.871 -7.607 8.780 1.00 50.12 O ATOM 0 H SER A 9 20.880 -8.305 4.732 1.00 45.42 H new ATOM 0 HA SER A 9 21.231 -9.517 7.307 1.00 23.42 H new ATOM 0 HB2 SER A 9 21.768 -7.281 8.049 1.00 33.43 H new ATOM 0 HB3 SER A 9 20.472 -6.578 7.101 1.00 33.43 H new ATOM 0 HG SER A 9 19.901 -6.802 9.338 1.00 50.12 H new ATOM 126 N GLY A 10 18.646 -8.347 5.612 1.00 2.03 N ATOM 127 CA GLY A 10 17.271 -8.644 5.256 1.00 61.10 C ATOM 128 C GLY A 10 16.542 -7.437 4.701 1.00 42.43 C ATOM 129 O GLY A 10 17.151 -6.428 4.342 1.00 73.33 O ATOM 0 H GLY A 10 19.045 -7.535 5.141 1.00 2.03 H new ATOM 0 HA2 GLY A 10 17.255 -9.445 4.517 1.00 61.10 H new ATOM 0 HA3 GLY A 10 16.742 -9.011 6.136 1.00 61.10 H new ATOM 133 N PRO A 11 15.207 -7.531 4.623 1.00 75.14 N ATOM 134 CA PRO A 11 14.365 -6.447 4.107 1.00 61.33 C ATOM 135 C PRO A 11 14.323 -5.248 5.047 1.00 2.14 C ATOM 136 O PRO A 11 14.277 -5.406 6.267 1.00 73.21 O ATOM 137 CB PRO A 11 12.981 -7.092 4.001 1.00 70.41 C ATOM 138 CG PRO A 11 13.000 -8.195 5.002 1.00 33.51 C ATOM 139 CD PRO A 11 14.415 -8.703 5.033 1.00 72.14 C ATOM 0 HA PRO A 11 14.741 -6.054 3.162 1.00 61.33 H new ATOM 0 HB2 PRO A 11 12.191 -6.373 4.219 1.00 70.41 H new ATOM 0 HB3 PRO A 11 12.797 -7.472 2.996 1.00 70.41 H new ATOM 0 HG2 PRO A 11 12.693 -7.836 5.984 1.00 33.51 H new ATOM 0 HG3 PRO A 11 12.307 -8.988 4.722 1.00 33.51 H new ATOM 0 HD2 PRO A 11 14.696 -9.050 6.027 1.00 72.14 H new ATOM 0 HD3 PRO A 11 14.556 -9.542 4.351 1.00 72.14 H new ATOM 147 N GLN A 12 14.340 -4.050 4.472 1.00 14.33 N ATOM 148 CA GLN A 12 14.304 -2.824 5.261 1.00 53.10 C ATOM 149 C GLN A 12 12.962 -2.116 5.105 1.00 10.45 C ATOM 150 O GLN A 12 12.269 -2.261 4.099 1.00 75.44 O ATOM 151 CB GLN A 12 15.439 -1.889 4.841 1.00 41.20 C ATOM 152 CG GLN A 12 16.749 -2.608 4.565 1.00 25.44 C ATOM 153 CD GLN A 12 17.281 -3.340 5.782 1.00 13.24 C ATOM 154 OE1 GLN A 12 16.812 -3.129 6.901 1.00 1.14 O ATOM 155 NE2 GLN A 12 18.264 -4.206 5.570 1.00 25.11 N ATOM 0 H GLN A 12 14.378 -3.902 3.464 1.00 14.33 H new ATOM 0 HA GLN A 12 14.433 -3.092 6.310 1.00 53.10 H new ATOM 0 HB2 GLN A 12 15.138 -1.344 3.946 1.00 41.20 H new ATOM 0 HB3 GLN A 12 15.598 -1.149 5.626 1.00 41.20 H new ATOM 0 HG2 GLN A 12 16.604 -3.320 3.752 1.00 25.44 H new ATOM 0 HG3 GLN A 12 17.492 -1.885 4.227 1.00 25.44 H new ATOM 0 HE21 GLN A 12 18.622 -4.350 4.626 1.00 25.11 H new ATOM 0 HE22 GLN A 12 18.661 -4.728 6.351 1.00 25.11 H new ATOM 164 N PRO A 13 12.585 -1.330 6.125 1.00 3.02 N ATOM 165 CA PRO A 13 11.324 -0.583 6.125 1.00 32.32 C ATOM 166 C PRO A 13 11.327 0.561 5.117 1.00 63.42 C ATOM 167 O PRO A 13 12.357 1.195 4.886 1.00 23.00 O ATOM 168 CB PRO A 13 11.235 -0.038 7.553 1.00 54.44 C ATOM 169 CG PRO A 13 12.648 0.036 8.019 1.00 34.52 C ATOM 170 CD PRO A 13 13.362 -1.110 7.357 1.00 42.44 C ATOM 0 HA PRO A 13 10.479 -1.210 5.840 1.00 32.32 H new ATOM 0 HB2 PRO A 13 10.760 0.943 7.574 1.00 54.44 H new ATOM 0 HB3 PRO A 13 10.642 -0.693 8.191 1.00 54.44 H new ATOM 0 HG2 PRO A 13 13.100 0.989 7.744 1.00 34.52 H new ATOM 0 HG3 PRO A 13 12.706 -0.043 9.105 1.00 34.52 H new ATOM 0 HD2 PRO A 13 14.401 -0.864 7.138 1.00 42.44 H new ATOM 0 HD3 PRO A 13 13.371 -1.997 7.990 1.00 42.44 H new ATOM 178 N HIS A 14 10.169 0.820 4.519 1.00 72.33 N ATOM 179 CA HIS A 14 10.039 1.889 3.535 1.00 34.12 C ATOM 180 C HIS A 14 8.770 2.700 3.779 1.00 14.14 C ATOM 181 O HIS A 14 7.994 2.401 4.688 1.00 40.33 O ATOM 182 CB HIS A 14 10.023 1.310 2.120 1.00 22.22 C ATOM 183 CG HIS A 14 11.301 0.628 1.738 1.00 11.12 C ATOM 184 ND1 HIS A 14 11.468 -0.740 1.788 1.00 3.32 N ATOM 185 CD2 HIS A 14 12.476 1.134 1.296 1.00 22.52 C ATOM 186 CE1 HIS A 14 12.692 -1.046 1.395 1.00 32.03 C ATOM 187 NE2 HIS A 14 13.324 0.073 1.091 1.00 71.14 N ATOM 0 H HIS A 14 9.307 0.305 4.698 1.00 72.33 H new ATOM 0 HA HIS A 14 10.899 2.551 3.639 1.00 34.12 H new ATOM 0 HB2 HIS A 14 9.202 0.598 2.037 1.00 22.22 H new ATOM 0 HB3 HIS A 14 9.823 2.112 1.410 1.00 22.22 H new ATOM 0 HD2 HIS A 14 12.704 2.177 1.135 1.00 22.52 H new ATOM 0 HE1 HIS A 14 13.105 -2.042 1.333 1.00 32.03 H new ATOM 0 HE2 HIS A 14 14.286 0.139 0.758 1.00 71.14 H new ATOM 195 N LYS A 15 8.564 3.728 2.963 1.00 4.32 N ATOM 196 CA LYS A 15 7.390 4.583 3.089 1.00 11.22 C ATOM 197 C LYS A 15 6.351 4.240 2.027 1.00 52.14 C ATOM 198 O LYS A 15 5.425 5.013 1.778 1.00 62.11 O ATOM 199 CB LYS A 15 7.790 6.055 2.970 1.00 41.52 C ATOM 200 CG LYS A 15 8.666 6.352 1.765 1.00 24.21 C ATOM 201 CD LYS A 15 10.058 6.796 2.184 1.00 61.55 C ATOM 202 CE LYS A 15 10.983 6.936 0.984 1.00 74.41 C ATOM 203 NZ LYS A 15 11.686 8.248 0.976 1.00 55.43 N ATOM 0 H LYS A 15 9.196 3.989 2.206 1.00 4.32 H new ATOM 0 HA LYS A 15 6.950 4.411 4.071 1.00 11.22 H new ATOM 0 HB2 LYS A 15 6.888 6.664 2.912 1.00 41.52 H new ATOM 0 HB3 LYS A 15 8.319 6.353 3.875 1.00 41.52 H new ATOM 0 HG2 LYS A 15 8.740 5.462 1.139 1.00 24.21 H new ATOM 0 HG3 LYS A 15 8.202 7.130 1.159 1.00 24.21 H new ATOM 0 HD2 LYS A 15 9.994 7.749 2.709 1.00 61.55 H new ATOM 0 HD3 LYS A 15 10.476 6.073 2.885 1.00 61.55 H new ATOM 0 HE2 LYS A 15 11.717 6.131 0.996 1.00 74.41 H new ATOM 0 HE3 LYS A 15 10.406 6.828 0.066 1.00 74.41 H new ATOM 0 HZ1 LYS A 15 12.306 8.304 0.143 1.00 55.43 H new ATOM 0 HZ2 LYS A 15 10.986 9.017 0.939 1.00 55.43 H new ATOM 0 HZ3 LYS A 15 12.257 8.341 1.840 1.00 55.43 H new ATOM 217 N ARG A 16 6.509 3.077 1.404 1.00 24.31 N ATOM 218 CA ARG A 16 5.585 2.632 0.369 1.00 75.23 C ATOM 219 C ARG A 16 5.231 1.159 0.552 1.00 62.34 C ATOM 220 O ARG A 16 6.113 0.303 0.623 1.00 44.11 O ATOM 221 CB ARG A 16 6.193 2.853 -1.018 1.00 14.15 C ATOM 222 CG ARG A 16 6.931 4.175 -1.155 1.00 20.52 C ATOM 223 CD ARG A 16 6.679 4.815 -2.511 1.00 11.34 C ATOM 224 NE ARG A 16 7.760 4.543 -3.454 1.00 74.44 N ATOM 225 CZ ARG A 16 8.973 5.075 -3.357 1.00 14.24 C ATOM 226 NH1 ARG A 16 9.258 5.904 -2.362 1.00 50.20 N ATOM 227 NH2 ARG A 16 9.903 4.778 -4.255 1.00 2.44 N ATOM 0 H ARG A 16 7.269 2.425 1.599 1.00 24.31 H new ATOM 0 HA ARG A 16 4.672 3.221 0.456 1.00 75.23 H new ATOM 0 HB2 ARG A 16 6.882 2.037 -1.238 1.00 14.15 H new ATOM 0 HB3 ARG A 16 5.400 2.810 -1.764 1.00 14.15 H new ATOM 0 HG2 ARG A 16 6.611 4.855 -0.365 1.00 20.52 H new ATOM 0 HG3 ARG A 16 8.000 4.012 -1.022 1.00 20.52 H new ATOM 0 HD2 ARG A 16 5.740 4.442 -2.919 1.00 11.34 H new ATOM 0 HD3 ARG A 16 6.568 5.892 -2.388 1.00 11.34 H new ATOM 0 HE ARG A 16 7.573 3.909 -4.231 1.00 74.44 H new ATOM 0 HH11 ARG A 16 8.545 6.134 -1.670 1.00 50.20 H new ATOM 0 HH12 ARG A 16 10.190 6.312 -2.289 1.00 50.20 H new ATOM 0 HH21 ARG A 16 9.687 4.140 -5.021 1.00 2.44 H new ATOM 0 HH22 ARG A 16 10.834 5.187 -4.179 1.00 2.44 H new ATOM 241 N TRP A 17 3.937 0.871 0.627 1.00 11.44 N ATOM 242 CA TRP A 17 3.467 -0.498 0.803 1.00 62.33 C ATOM 243 C TRP A 17 2.088 -0.685 0.179 1.00 4.03 C ATOM 244 O TRP A 17 1.203 0.155 0.343 1.00 4.01 O ATOM 245 CB TRP A 17 3.421 -0.857 2.289 1.00 64.21 C ATOM 246 CG TRP A 17 4.778 -1.047 2.896 1.00 5.12 C ATOM 247 CD1 TRP A 17 5.505 -0.118 3.585 1.00 64.13 C ATOM 248 CD2 TRP A 17 5.571 -2.239 2.867 1.00 1.25 C ATOM 249 NE1 TRP A 17 6.702 -0.661 3.986 1.00 43.12 N ATOM 250 CE2 TRP A 17 6.766 -1.961 3.559 1.00 5.10 C ATOM 251 CE3 TRP A 17 5.387 -3.514 2.327 1.00 72.20 C ATOM 252 CZ2 TRP A 17 7.770 -2.912 3.721 1.00 5.24 C ATOM 253 CZ3 TRP A 17 6.384 -4.457 2.489 1.00 43.23 C ATOM 254 CH2 TRP A 17 7.563 -4.152 3.182 1.00 65.23 C ATOM 0 H TRP A 17 3.194 1.568 0.569 1.00 11.44 H new ATOM 0 HA TRP A 17 4.167 -1.163 0.298 1.00 62.33 H new ATOM 0 HB2 TRP A 17 2.896 -0.070 2.830 1.00 64.21 H new ATOM 0 HB3 TRP A 17 2.842 -1.772 2.417 1.00 64.21 H new ATOM 0 HD1 TRP A 17 5.186 0.894 3.785 1.00 64.13 H new ATOM 0 HE1 TRP A 17 7.426 -0.175 4.516 1.00 43.12 H new ATOM 0 HE3 TRP A 17 4.481 -3.759 1.792 1.00 72.20 H new ATOM 0 HZ2 TRP A 17 8.680 -2.679 4.254 1.00 5.24 H new ATOM 0 HZ3 TRP A 17 6.252 -5.446 2.075 1.00 43.23 H new ATOM 0 HH2 TRP A 17 8.323 -4.911 3.293 1.00 65.23 H new ATOM 265 N VAL A 18 1.912 -1.791 -0.536 1.00 71.32 N ATOM 266 CA VAL A 18 0.640 -2.088 -1.183 1.00 75.42 C ATOM 267 C VAL A 18 -0.054 -3.270 -0.515 1.00 62.41 C ATOM 268 O VAL A 18 0.582 -4.070 0.172 1.00 3.32 O ATOM 269 CB VAL A 18 0.830 -2.398 -2.680 1.00 13.00 C ATOM 270 CG1 VAL A 18 1.516 -1.236 -3.383 1.00 30.54 C ATOM 271 CG2 VAL A 18 1.621 -3.684 -2.861 1.00 64.31 C ATOM 0 H VAL A 18 2.634 -2.496 -0.682 1.00 71.32 H new ATOM 0 HA VAL A 18 0.018 -1.199 -1.080 1.00 75.42 H new ATOM 0 HB VAL A 18 -0.152 -2.536 -3.133 1.00 13.00 H new ATOM 0 HG11 VAL A 18 1.642 -1.473 -4.439 1.00 30.54 H new ATOM 0 HG12 VAL A 18 0.906 -0.339 -3.283 1.00 30.54 H new ATOM 0 HG13 VAL A 18 2.493 -1.063 -2.931 1.00 30.54 H new ATOM 0 HG21 VAL A 18 1.746 -3.888 -3.924 1.00 64.31 H new ATOM 0 HG22 VAL A 18 2.600 -3.577 -2.395 1.00 64.31 H new ATOM 0 HG23 VAL A 18 1.085 -4.510 -2.394 1.00 64.31 H new ATOM 281 N PHE A 19 -1.362 -3.376 -0.722 1.00 13.22 N ATOM 282 CA PHE A 19 -2.143 -4.461 -0.139 1.00 55.51 C ATOM 283 C PHE A 19 -3.102 -5.054 -1.168 1.00 24.34 C ATOM 284 O PHE A 19 -3.633 -4.344 -2.022 1.00 11.12 O ATOM 285 CB PHE A 19 -2.928 -3.958 1.075 1.00 41.34 C ATOM 286 CG PHE A 19 -3.739 -2.725 0.795 1.00 34.11 C ATOM 287 CD1 PHE A 19 -3.148 -1.472 0.811 1.00 74.10 C ATOM 288 CD2 PHE A 19 -5.094 -2.820 0.517 1.00 4.50 C ATOM 289 CE1 PHE A 19 -3.892 -0.336 0.554 1.00 52.21 C ATOM 290 CE2 PHE A 19 -5.842 -1.687 0.259 1.00 53.12 C ATOM 291 CZ PHE A 19 -5.241 -0.443 0.278 1.00 32.44 C ATOM 0 H PHE A 19 -1.904 -2.724 -1.289 1.00 13.22 H new ATOM 0 HA PHE A 19 -1.452 -5.241 0.181 1.00 55.51 H new ATOM 0 HB2 PHE A 19 -3.593 -4.749 1.421 1.00 41.34 H new ATOM 0 HB3 PHE A 19 -2.231 -3.749 1.887 1.00 41.34 H new ATOM 0 HD1 PHE A 19 -2.094 -1.382 1.027 1.00 74.10 H new ATOM 0 HD2 PHE A 19 -5.570 -3.789 0.502 1.00 4.50 H new ATOM 0 HE1 PHE A 19 -3.419 0.635 0.569 1.00 52.21 H new ATOM 0 HE2 PHE A 19 -6.896 -1.774 0.042 1.00 53.12 H new ATOM 0 HZ PHE A 19 -5.825 0.443 0.078 1.00 32.44 H new ATOM 301 N THR A 20 -3.318 -6.363 -1.080 1.00 64.21 N ATOM 302 CA THR A 20 -4.209 -7.054 -2.003 1.00 33.11 C ATOM 303 C THR A 20 -4.885 -8.242 -1.328 1.00 74.23 C ATOM 304 O THR A 20 -4.222 -9.089 -0.728 1.00 41.22 O ATOM 305 CB THR A 20 -3.453 -7.549 -3.251 1.00 14.55 C ATOM 306 OG1 THR A 20 -2.319 -8.329 -2.859 1.00 24.05 O ATOM 307 CG2 THR A 20 -2.998 -6.377 -4.107 1.00 2.30 C ATOM 0 H THR A 20 -2.888 -6.966 -0.379 1.00 64.21 H new ATOM 0 HA THR A 20 -4.967 -6.333 -2.309 1.00 33.11 H new ATOM 0 HB THR A 20 -4.132 -8.166 -3.839 1.00 14.55 H new ATOM 0 HG1 THR A 20 -1.845 -8.641 -3.658 1.00 24.05 H new ATOM 0 HG21 THR A 20 -2.467 -6.750 -4.982 1.00 2.30 H new ATOM 0 HG22 THR A 20 -3.867 -5.802 -4.428 1.00 2.30 H new ATOM 0 HG23 THR A 20 -2.334 -5.738 -3.525 1.00 2.30 H new ATOM 315 N LEU A 21 -6.209 -8.300 -1.431 1.00 24.24 N ATOM 316 CA LEU A 21 -6.975 -9.386 -0.830 1.00 75.44 C ATOM 317 C LEU A 21 -8.109 -9.826 -1.751 1.00 54.12 C ATOM 318 O LEU A 21 -8.863 -8.999 -2.262 1.00 42.34 O ATOM 319 CB LEU A 21 -7.541 -8.951 0.522 1.00 14.23 C ATOM 320 CG LEU A 21 -8.271 -10.030 1.323 1.00 13.43 C ATOM 321 CD1 LEU A 21 -7.321 -10.703 2.301 1.00 12.14 C ATOM 322 CD2 LEU A 21 -9.463 -9.433 2.059 1.00 64.31 C ATOM 0 H LEU A 21 -6.773 -7.608 -1.925 1.00 24.24 H new ATOM 0 HA LEU A 21 -6.304 -10.231 -0.680 1.00 75.44 H new ATOM 0 HB2 LEU A 21 -6.722 -8.568 1.130 1.00 14.23 H new ATOM 0 HB3 LEU A 21 -8.229 -8.122 0.356 1.00 14.23 H new ATOM 0 HG LEU A 21 -8.639 -10.785 0.628 1.00 13.43 H new ATOM 0 HD11 LEU A 21 -7.858 -11.468 2.862 1.00 12.14 H new ATOM 0 HD12 LEU A 21 -6.501 -11.165 1.752 1.00 12.14 H new ATOM 0 HD13 LEU A 21 -6.922 -9.959 2.991 1.00 12.14 H new ATOM 0 HD21 LEU A 21 -9.971 -10.215 2.624 1.00 64.31 H new ATOM 0 HD22 LEU A 21 -9.117 -8.658 2.743 1.00 64.31 H new ATOM 0 HD23 LEU A 21 -10.155 -8.998 1.338 1.00 64.31 H new ATOM 334 N ASN A 22 -8.225 -11.134 -1.956 1.00 72.00 N ATOM 335 CA ASN A 22 -9.269 -11.684 -2.814 1.00 4.11 C ATOM 336 C ASN A 22 -10.586 -11.810 -2.055 1.00 53.23 C ATOM 337 O ASN A 22 -10.625 -12.327 -0.940 1.00 2.33 O ATOM 338 CB ASN A 22 -8.846 -13.051 -3.354 1.00 65.42 C ATOM 339 CG ASN A 22 -9.852 -13.623 -4.334 1.00 52.40 C ATOM 340 OD1 ASN A 22 -10.053 -13.081 -5.421 1.00 70.12 O ATOM 341 ND2 ASN A 22 -10.491 -14.722 -3.952 1.00 31.30 N ATOM 0 H ASN A 22 -7.609 -11.833 -1.540 1.00 72.00 H new ATOM 0 HA ASN A 22 -9.416 -11.000 -3.650 1.00 4.11 H new ATOM 0 HB2 ASN A 22 -7.877 -12.961 -3.844 1.00 65.42 H new ATOM 0 HB3 ASN A 22 -8.719 -13.744 -2.522 1.00 65.42 H new ATOM 0 HD21 ASN A 22 -11.181 -15.151 -4.569 1.00 31.30 H new ATOM 0 HD22 ASN A 22 -10.292 -15.137 -3.042 1.00 31.30 H new ATOM 348 N ASN A 23 -11.664 -11.334 -2.670 1.00 13.32 N ATOM 349 CA ASN A 23 -12.984 -11.393 -2.053 1.00 15.03 C ATOM 350 C ASN A 23 -12.954 -10.806 -0.645 1.00 23.02 C ATOM 351 O ASN A 23 -13.121 -11.509 0.352 1.00 72.53 O ATOM 352 CB ASN A 23 -13.483 -12.839 -2.004 1.00 11.41 C ATOM 353 CG ASN A 23 -14.947 -12.933 -1.620 1.00 12.51 C ATOM 354 OD1 ASN A 23 -15.282 -13.210 -0.468 1.00 63.21 O ATOM 355 ND2 ASN A 23 -15.828 -12.701 -2.586 1.00 71.12 N ATOM 0 H ASN A 23 -11.649 -10.903 -3.595 1.00 13.32 H new ATOM 0 HA ASN A 23 -13.668 -10.800 -2.660 1.00 15.03 H new ATOM 0 HB2 ASN A 23 -13.335 -13.305 -2.978 1.00 11.41 H new ATOM 0 HB3 ASN A 23 -12.885 -13.403 -1.288 1.00 11.41 H new ATOM 0 HD21 ASN A 23 -16.827 -12.749 -2.387 1.00 71.12 H new ATOM 0 HD22 ASN A 23 -15.505 -12.475 -3.527 1.00 71.12 H new ATOM 362 N PRO A 24 -12.735 -9.485 -0.559 1.00 30.51 N ATOM 363 CA PRO A 24 -12.678 -8.774 0.722 1.00 73.15 C ATOM 364 C PRO A 24 -14.042 -8.692 1.400 1.00 45.42 C ATOM 365 O PRO A 24 -15.078 -8.698 0.735 1.00 25.10 O ATOM 366 CB PRO A 24 -12.190 -7.377 0.330 1.00 75.02 C ATOM 367 CG PRO A 24 -12.607 -7.215 -1.091 1.00 54.21 C ATOM 368 CD PRO A 24 -12.527 -8.585 -1.705 1.00 41.03 C ATOM 0 HA PRO A 24 -12.033 -9.279 1.441 1.00 73.15 H new ATOM 0 HB2 PRO A 24 -12.636 -6.610 0.963 1.00 75.02 H new ATOM 0 HB3 PRO A 24 -11.109 -7.291 0.438 1.00 75.02 H new ATOM 0 HG2 PRO A 24 -13.619 -6.816 -1.158 1.00 54.21 H new ATOM 0 HG3 PRO A 24 -11.954 -6.515 -1.612 1.00 54.21 H new ATOM 0 HD2 PRO A 24 -13.289 -8.727 -2.471 1.00 41.03 H new ATOM 0 HD3 PRO A 24 -11.561 -8.756 -2.181 1.00 41.03 H new ATOM 376 N SER A 25 -14.034 -8.614 2.727 1.00 45.44 N ATOM 377 CA SER A 25 -15.270 -8.533 3.495 1.00 32.11 C ATOM 378 C SER A 25 -15.664 -7.080 3.740 1.00 40.40 C ATOM 379 O SER A 25 -14.825 -6.181 3.687 1.00 23.31 O ATOM 380 CB SER A 25 -15.114 -9.263 4.831 1.00 50.14 C ATOM 381 OG SER A 25 -15.977 -10.384 4.903 1.00 75.20 O ATOM 0 H SER A 25 -13.185 -8.605 3.292 1.00 45.44 H new ATOM 0 HA SER A 25 -16.060 -9.013 2.917 1.00 32.11 H new ATOM 0 HB2 SER A 25 -14.081 -9.587 4.953 1.00 50.14 H new ATOM 0 HB3 SER A 25 -15.333 -8.579 5.651 1.00 50.14 H new ATOM 0 HG SER A 25 -15.857 -10.834 5.765 1.00 75.20 H new ATOM 387 N GLU A 26 -16.947 -6.858 4.008 1.00 51.31 N ATOM 388 CA GLU A 26 -17.453 -5.513 4.260 1.00 23.50 C ATOM 389 C GLU A 26 -16.764 -4.891 5.471 1.00 21.43 C ATOM 390 O GLU A 26 -16.606 -3.673 5.551 1.00 32.04 O ATOM 391 CB GLU A 26 -18.966 -5.547 4.482 1.00 73.13 C ATOM 392 CG GLU A 26 -19.377 -6.240 5.770 1.00 14.52 C ATOM 393 CD GLU A 26 -20.851 -6.597 5.796 1.00 41.11 C ATOM 394 OE1 GLU A 26 -21.671 -5.759 5.366 1.00 74.32 O ATOM 395 OE2 GLU A 26 -21.183 -7.713 6.246 1.00 35.10 O ATOM 0 H GLU A 26 -17.655 -7.591 4.056 1.00 51.31 H new ATOM 0 HA GLU A 26 -17.235 -4.900 3.385 1.00 23.50 H new ATOM 0 HB2 GLU A 26 -19.346 -4.526 4.492 1.00 73.13 H new ATOM 0 HB3 GLU A 26 -19.437 -6.054 3.640 1.00 73.13 H new ATOM 0 HG2 GLU A 26 -18.785 -7.147 5.895 1.00 14.52 H new ATOM 0 HG3 GLU A 26 -19.149 -5.591 6.616 1.00 14.52 H new ATOM 402 N ASP A 27 -16.357 -5.737 6.412 1.00 44.15 N ATOM 403 CA ASP A 27 -15.684 -5.271 7.619 1.00 33.50 C ATOM 404 C ASP A 27 -14.223 -4.938 7.333 1.00 14.43 C ATOM 405 O ASP A 27 -13.737 -3.871 7.706 1.00 2.13 O ATOM 406 CB ASP A 27 -15.773 -6.331 8.718 1.00 25.33 C ATOM 407 CG ASP A 27 -17.045 -6.215 9.534 1.00 10.31 C ATOM 408 OD1 ASP A 27 -17.100 -5.343 10.426 1.00 43.51 O ATOM 409 OD2 ASP A 27 -17.986 -6.996 9.281 1.00 20.34 O ATOM 0 H ASP A 27 -16.481 -6.748 6.362 1.00 44.15 H new ATOM 0 HA ASP A 27 -16.184 -4.364 7.958 1.00 33.50 H new ATOM 0 HB2 ASP A 27 -15.723 -7.322 8.267 1.00 25.33 H new ATOM 0 HB3 ASP A 27 -14.911 -6.238 9.379 1.00 25.33 H new ATOM 414 N GLU A 28 -13.530 -5.858 6.670 1.00 10.13 N ATOM 415 CA GLU A 28 -12.124 -5.661 6.337 1.00 52.12 C ATOM 416 C GLU A 28 -11.952 -4.489 5.375 1.00 12.43 C ATOM 417 O GLU A 28 -11.100 -3.624 5.580 1.00 62.22 O ATOM 418 CB GLU A 28 -11.541 -6.933 5.717 1.00 0.33 C ATOM 419 CG GLU A 28 -10.184 -7.317 6.282 1.00 63.53 C ATOM 420 CD GLU A 28 -9.082 -6.370 5.848 1.00 22.23 C ATOM 421 OE1 GLU A 28 -9.152 -5.861 4.710 1.00 62.11 O ATOM 422 OE2 GLU A 28 -8.150 -6.138 6.646 1.00 31.24 O ATOM 0 H GLU A 28 -13.919 -6.746 6.353 1.00 10.13 H new ATOM 0 HA GLU A 28 -11.587 -5.435 7.258 1.00 52.12 H new ATOM 0 HB2 GLU A 28 -12.237 -7.757 5.875 1.00 0.33 H new ATOM 0 HB3 GLU A 28 -11.451 -6.794 4.640 1.00 0.33 H new ATOM 0 HG2 GLU A 28 -10.238 -7.330 7.371 1.00 63.53 H new ATOM 0 HG3 GLU A 28 -9.935 -8.329 5.963 1.00 63.53 H new ATOM 429 N ARG A 29 -12.768 -4.467 4.326 1.00 64.10 N ATOM 430 CA ARG A 29 -12.705 -3.403 3.332 1.00 51.24 C ATOM 431 C ARG A 29 -13.000 -2.047 3.967 1.00 63.11 C ATOM 432 O ARG A 29 -12.399 -1.035 3.604 1.00 74.32 O ATOM 433 CB ARG A 29 -13.698 -3.674 2.200 1.00 70.21 C ATOM 434 CG ARG A 29 -13.761 -2.563 1.165 1.00 0.42 C ATOM 435 CD ARG A 29 -15.187 -2.080 0.952 1.00 73.21 C ATOM 436 NE ARG A 29 -15.800 -2.688 -0.226 1.00 33.21 N ATOM 437 CZ ARG A 29 -16.889 -2.209 -0.818 1.00 23.10 C ATOM 438 NH1 ARG A 29 -17.480 -1.121 -0.345 1.00 33.13 N ATOM 439 NH2 ARG A 29 -17.387 -2.818 -1.886 1.00 60.42 N ATOM 0 H ARG A 29 -13.480 -5.174 4.143 1.00 64.10 H new ATOM 0 HA ARG A 29 -11.695 -3.382 2.923 1.00 51.24 H new ATOM 0 HB2 ARG A 29 -13.425 -4.606 1.704 1.00 70.21 H new ATOM 0 HB3 ARG A 29 -14.691 -3.819 2.626 1.00 70.21 H new ATOM 0 HG2 ARG A 29 -13.137 -1.729 1.487 1.00 0.42 H new ATOM 0 HG3 ARG A 29 -13.352 -2.921 0.220 1.00 0.42 H new ATOM 0 HD2 ARG A 29 -15.784 -2.314 1.833 1.00 73.21 H new ATOM 0 HD3 ARG A 29 -15.190 -0.995 0.843 1.00 73.21 H new ATOM 0 HE ARG A 29 -15.369 -3.526 -0.616 1.00 33.21 H new ATOM 0 HH11 ARG A 29 -17.099 -0.649 0.475 1.00 33.13 H new ATOM 0 HH12 ARG A 29 -18.316 -0.755 -0.801 1.00 33.13 H new ATOM 0 HH21 ARG A 29 -16.934 -3.655 -2.254 1.00 60.42 H new ATOM 0 HH22 ARG A 29 -18.223 -2.450 -2.340 1.00 60.42 H new ATOM 453 N LYS A 30 -13.928 -2.034 4.917 1.00 32.12 N ATOM 454 CA LYS A 30 -14.303 -0.804 5.605 1.00 72.15 C ATOM 455 C LYS A 30 -13.179 -0.327 6.519 1.00 70.34 C ATOM 456 O LYS A 30 -12.955 0.874 6.670 1.00 60.10 O ATOM 457 CB LYS A 30 -15.580 -1.020 6.419 1.00 15.13 C ATOM 458 CG LYS A 30 -16.855 -0.790 5.625 1.00 4.42 C ATOM 459 CD LYS A 30 -18.090 -1.122 6.445 1.00 72.33 C ATOM 460 CE LYS A 30 -19.356 -0.604 5.780 1.00 52.02 C ATOM 461 NZ LYS A 30 -20.050 0.409 6.622 1.00 40.40 N ATOM 0 H LYS A 30 -14.435 -2.862 5.229 1.00 32.12 H new ATOM 0 HA LYS A 30 -14.485 -0.037 4.852 1.00 72.15 H new ATOM 0 HB2 LYS A 30 -15.584 -2.038 6.810 1.00 15.13 H new ATOM 0 HB3 LYS A 30 -15.571 -0.349 7.278 1.00 15.13 H new ATOM 0 HG2 LYS A 30 -16.901 0.250 5.302 1.00 4.42 H new ATOM 0 HG3 LYS A 30 -16.839 -1.404 4.724 1.00 4.42 H new ATOM 0 HD2 LYS A 30 -18.162 -2.202 6.576 1.00 72.33 H new ATOM 0 HD3 LYS A 30 -17.996 -0.686 7.440 1.00 72.33 H new ATOM 0 HE2 LYS A 30 -19.105 -0.164 4.815 1.00 52.02 H new ATOM 0 HE3 LYS A 30 -20.031 -1.437 5.584 1.00 52.02 H new ATOM 0 HZ1 LYS A 30 -20.908 0.737 6.134 1.00 40.40 H new ATOM 0 HZ2 LYS A 30 -20.312 -0.018 7.533 1.00 40.40 H new ATOM 0 HZ3 LYS A 30 -19.416 1.216 6.788 1.00 40.40 H new ATOM 475 N LYS A 31 -12.473 -1.276 7.125 1.00 14.33 N ATOM 476 CA LYS A 31 -11.370 -0.954 8.023 1.00 51.45 C ATOM 477 C LYS A 31 -10.267 -0.205 7.282 1.00 52.55 C ATOM 478 O LYS A 31 -9.786 0.829 7.746 1.00 12.42 O ATOM 479 CB LYS A 31 -10.803 -2.231 8.646 1.00 14.14 C ATOM 480 CG LYS A 31 -9.503 -2.014 9.400 1.00 22.33 C ATOM 481 CD LYS A 31 -8.980 -3.312 9.994 1.00 3.40 C ATOM 482 CE LYS A 31 -7.489 -3.478 9.744 1.00 43.14 C ATOM 483 NZ LYS A 31 -6.679 -2.547 10.577 1.00 10.23 N ATOM 0 H LYS A 31 -12.645 -2.275 7.010 1.00 14.33 H new ATOM 0 HA LYS A 31 -11.755 -0.311 8.814 1.00 51.45 H new ATOM 0 HB2 LYS A 31 -11.542 -2.652 9.327 1.00 14.14 H new ATOM 0 HB3 LYS A 31 -10.638 -2.967 7.859 1.00 14.14 H new ATOM 0 HG2 LYS A 31 -8.756 -1.594 8.726 1.00 22.33 H new ATOM 0 HG3 LYS A 31 -9.660 -1.286 10.196 1.00 22.33 H new ATOM 0 HD2 LYS A 31 -9.174 -3.327 11.066 1.00 3.40 H new ATOM 0 HD3 LYS A 31 -9.519 -4.155 9.561 1.00 3.40 H new ATOM 0 HE2 LYS A 31 -7.197 -4.506 9.960 1.00 43.14 H new ATOM 0 HE3 LYS A 31 -7.276 -3.301 8.690 1.00 43.14 H new ATOM 0 HZ1 LYS A 31 -5.739 -2.426 10.148 1.00 10.23 H new ATOM 0 HZ2 LYS A 31 -7.156 -1.625 10.631 1.00 10.23 H new ATOM 0 HZ3 LYS A 31 -6.575 -2.939 11.535 1.00 10.23 H new ATOM 497 N ILE A 32 -9.872 -0.732 6.128 1.00 54.24 N ATOM 498 CA ILE A 32 -8.828 -0.111 5.322 1.00 13.10 C ATOM 499 C ILE A 32 -9.295 1.224 4.751 1.00 73.44 C ATOM 500 O ILE A 32 -8.542 2.197 4.726 1.00 53.34 O ATOM 501 CB ILE A 32 -8.391 -1.027 4.164 1.00 23.32 C ATOM 502 CG1 ILE A 32 -7.459 -2.126 4.679 1.00 25.10 C ATOM 503 CG2 ILE A 32 -7.709 -0.214 3.074 1.00 24.40 C ATOM 504 CD1 ILE A 32 -7.146 -3.186 3.646 1.00 22.12 C ATOM 0 H ILE A 32 -10.259 -1.588 5.730 1.00 54.24 H new ATOM 0 HA ILE A 32 -7.977 0.057 5.983 1.00 13.10 H new ATOM 0 HB ILE A 32 -9.277 -1.498 3.738 1.00 23.32 H new ATOM 0 HG12 ILE A 32 -6.527 -1.672 5.016 1.00 25.10 H new ATOM 0 HG13 ILE A 32 -7.915 -2.600 5.548 1.00 25.10 H new ATOM 0 HG21 ILE A 32 -7.406 -0.876 2.262 1.00 24.40 H new ATOM 0 HG22 ILE A 32 -8.402 0.535 2.692 1.00 24.40 H new ATOM 0 HG23 ILE A 32 -6.830 0.281 3.486 1.00 24.40 H new ATOM 0 HD11 ILE A 32 -6.481 -3.932 4.080 1.00 22.12 H new ATOM 0 HD12 ILE A 32 -8.071 -3.667 3.326 1.00 22.12 H new ATOM 0 HD13 ILE A 32 -6.661 -2.724 2.786 1.00 22.12 H new ATOM 516 N ARG A 33 -10.543 1.261 4.294 1.00 2.41 N ATOM 517 CA ARG A 33 -11.111 2.477 3.723 1.00 30.34 C ATOM 518 C ARG A 33 -11.361 3.521 4.807 1.00 0.15 C ATOM 519 O ARG A 33 -11.464 4.714 4.522 1.00 0.20 O ATOM 520 CB ARG A 33 -12.418 2.160 2.994 1.00 40.41 C ATOM 521 CG ARG A 33 -13.182 3.397 2.549 1.00 63.12 C ATOM 522 CD ARG A 33 -14.128 3.084 1.401 1.00 75.32 C ATOM 523 NE ARG A 33 -15.483 2.803 1.869 1.00 22.55 N ATOM 524 CZ ARG A 33 -16.335 3.743 2.261 1.00 51.21 C ATOM 525 NH1 ARG A 33 -15.975 5.019 2.240 1.00 51.15 N ATOM 526 NH2 ARG A 33 -17.551 3.408 2.674 1.00 3.44 N ATOM 0 H ARG A 33 -11.179 0.464 4.308 1.00 2.41 H new ATOM 0 HA ARG A 33 -10.394 2.884 3.010 1.00 30.34 H new ATOM 0 HB2 ARG A 33 -12.198 1.546 2.121 1.00 40.41 H new ATOM 0 HB3 ARG A 33 -13.055 1.566 3.649 1.00 40.41 H new ATOM 0 HG2 ARG A 33 -13.748 3.798 3.390 1.00 63.12 H new ATOM 0 HG3 ARG A 33 -12.478 4.170 2.241 1.00 63.12 H new ATOM 0 HD2 ARG A 33 -14.151 3.927 0.710 1.00 75.32 H new ATOM 0 HD3 ARG A 33 -13.751 2.226 0.845 1.00 75.32 H new ATOM 0 HE ARG A 33 -15.792 1.831 1.896 1.00 22.55 H new ATOM 0 HH11 ARG A 33 -15.042 5.280 1.922 1.00 51.15 H new ATOM 0 HH12 ARG A 33 -16.631 5.739 2.542 1.00 51.15 H new ATOM 0 HH21 ARG A 33 -17.832 2.428 2.691 1.00 3.44 H new ATOM 0 HH22 ARG A 33 -18.205 4.131 2.975 1.00 3.44 H new ATOM 540 N ASP A 34 -11.458 3.064 6.051 1.00 60.21 N ATOM 541 CA ASP A 34 -11.695 3.958 7.178 1.00 14.11 C ATOM 542 C ASP A 34 -10.391 4.281 7.899 1.00 3.44 C ATOM 543 O ASP A 34 -10.395 4.886 8.972 1.00 14.43 O ATOM 544 CB ASP A 34 -12.690 3.329 8.155 1.00 53.12 C ATOM 545 CG ASP A 34 -13.189 4.318 9.190 1.00 53.11 C ATOM 546 OD1 ASP A 34 -14.026 5.175 8.837 1.00 55.21 O ATOM 547 OD2 ASP A 34 -12.743 4.234 10.353 1.00 14.41 O ATOM 0 H ASP A 34 -11.376 2.079 6.304 1.00 60.21 H new ATOM 0 HA ASP A 34 -12.115 4.887 6.791 1.00 14.11 H new ATOM 0 HB2 ASP A 34 -13.538 2.931 7.599 1.00 53.12 H new ATOM 0 HB3 ASP A 34 -12.216 2.487 8.660 1.00 53.12 H new ATOM 552 N LEU A 35 -9.275 3.874 7.304 1.00 31.34 N ATOM 553 CA LEU A 35 -7.962 4.119 7.890 1.00 21.14 C ATOM 554 C LEU A 35 -7.668 5.614 7.961 1.00 22.05 C ATOM 555 O LEU A 35 -8.276 6.425 7.263 1.00 40.11 O ATOM 556 CB LEU A 35 -6.878 3.413 7.075 1.00 64.43 C ATOM 557 CG LEU A 35 -6.649 1.936 7.399 1.00 23.10 C ATOM 558 CD1 LEU A 35 -5.728 1.300 6.369 1.00 21.23 C ATOM 559 CD2 LEU A 35 -6.074 1.780 8.799 1.00 11.35 C ATOM 0 H LEU A 35 -9.253 3.373 6.416 1.00 31.34 H new ATOM 0 HA LEU A 35 -7.964 3.719 8.904 1.00 21.14 H new ATOM 0 HB2 LEU A 35 -7.133 3.497 6.019 1.00 64.43 H new ATOM 0 HB3 LEU A 35 -5.938 3.946 7.219 1.00 64.43 H new ATOM 0 HG LEU A 35 -7.610 1.423 7.363 1.00 23.10 H new ATOM 0 HD11 LEU A 35 -5.577 0.249 6.616 1.00 21.23 H new ATOM 0 HD12 LEU A 35 -6.179 1.379 5.380 1.00 21.23 H new ATOM 0 HD13 LEU A 35 -4.768 1.815 6.372 1.00 21.23 H new ATOM 0 HD21 LEU A 35 -5.918 0.723 9.012 1.00 11.35 H new ATOM 0 HD22 LEU A 35 -5.122 2.308 8.862 1.00 11.35 H new ATOM 0 HD23 LEU A 35 -6.770 2.198 9.527 1.00 11.35 H new ATOM 571 N PRO A 36 -6.711 5.989 8.824 1.00 74.11 N ATOM 572 CA PRO A 36 -6.313 7.388 9.005 1.00 63.13 C ATOM 573 C PRO A 36 -5.573 7.941 7.792 1.00 43.23 C ATOM 574 O PRO A 36 -4.511 7.441 7.420 1.00 61.14 O ATOM 575 CB PRO A 36 -5.384 7.338 10.221 1.00 72.24 C ATOM 576 CG PRO A 36 -4.847 5.948 10.230 1.00 44.53 C ATOM 577 CD PRO A 36 -5.945 5.076 9.689 1.00 72.14 C ATOM 0 HA PRO A 36 -7.174 8.043 9.136 1.00 63.13 H new ATOM 0 HB2 PRO A 36 -4.582 8.072 10.137 1.00 72.24 H new ATOM 0 HB3 PRO A 36 -5.924 7.560 11.141 1.00 72.24 H new ATOM 0 HG2 PRO A 36 -3.950 5.872 9.615 1.00 44.53 H new ATOM 0 HG3 PRO A 36 -4.569 5.644 11.239 1.00 44.53 H new ATOM 0 HD2 PRO A 36 -5.547 4.230 9.128 1.00 72.14 H new ATOM 0 HD3 PRO A 36 -6.563 4.666 10.488 1.00 72.14 H new ATOM 585 N ILE A 37 -6.139 8.976 7.180 1.00 74.42 N ATOM 586 CA ILE A 37 -5.532 9.597 6.010 1.00 43.12 C ATOM 587 C ILE A 37 -4.256 10.343 6.384 1.00 4.22 C ATOM 588 O ILE A 37 -3.302 10.393 5.607 1.00 74.32 O ATOM 589 CB ILE A 37 -6.503 10.576 5.324 1.00 61.00 C ATOM 590 CG1 ILE A 37 -7.069 11.566 6.344 1.00 4.02 C ATOM 591 CG2 ILE A 37 -7.627 9.814 4.638 1.00 23.30 C ATOM 592 CD1 ILE A 37 -7.948 12.632 5.728 1.00 22.15 C ATOM 0 H ILE A 37 -7.017 9.402 7.476 1.00 74.42 H new ATOM 0 HA ILE A 37 -5.290 8.792 5.316 1.00 43.12 H new ATOM 0 HB ILE A 37 -5.955 11.137 4.567 1.00 61.00 H new ATOM 0 HG12 ILE A 37 -7.645 11.018 7.089 1.00 4.02 H new ATOM 0 HG13 ILE A 37 -6.243 12.046 6.869 1.00 4.02 H new ATOM 0 HG21 ILE A 37 -8.305 10.520 4.158 1.00 23.30 H new ATOM 0 HG22 ILE A 37 -7.207 9.145 3.886 1.00 23.30 H new ATOM 0 HG23 ILE A 37 -8.175 9.230 5.378 1.00 23.30 H new ATOM 0 HD11 ILE A 37 -8.314 13.298 6.509 1.00 22.15 H new ATOM 0 HD12 ILE A 37 -7.370 13.206 5.003 1.00 22.15 H new ATOM 0 HD13 ILE A 37 -8.794 12.161 5.227 1.00 22.15 H new ATOM 604 N SER A 38 -4.244 10.921 7.581 1.00 10.31 N ATOM 605 CA SER A 38 -3.086 11.667 8.059 1.00 65.13 C ATOM 606 C SER A 38 -1.899 10.737 8.290 1.00 24.24 C ATOM 607 O SER A 38 -0.749 11.177 8.335 1.00 70.05 O ATOM 608 CB SER A 38 -3.428 12.408 9.353 1.00 65.03 C ATOM 609 OG SER A 38 -3.322 13.811 9.180 1.00 33.42 O ATOM 0 H SER A 38 -5.024 10.887 8.238 1.00 10.31 H new ATOM 0 HA SER A 38 -2.812 12.394 7.295 1.00 65.13 H new ATOM 0 HB2 SER A 38 -4.440 12.152 9.666 1.00 65.03 H new ATOM 0 HB3 SER A 38 -2.757 12.085 10.149 1.00 65.03 H new ATOM 0 HG SER A 38 -3.547 14.262 10.020 1.00 33.42 H new ATOM 615 N LEU A 39 -2.185 9.448 8.438 1.00 12.11 N ATOM 616 CA LEU A 39 -1.142 8.454 8.665 1.00 35.55 C ATOM 617 C LEU A 39 -0.367 8.175 7.382 1.00 23.21 C ATOM 618 O LEU A 39 0.811 7.818 7.421 1.00 1.13 O ATOM 619 CB LEU A 39 -1.755 7.156 9.197 1.00 43.31 C ATOM 620 CG LEU A 39 -0.930 6.403 10.241 1.00 2.44 C ATOM 621 CD1 LEU A 39 -1.837 5.789 11.296 1.00 1.02 C ATOM 622 CD2 LEU A 39 -0.079 5.331 9.577 1.00 3.10 C ATOM 0 H LEU A 39 -3.131 9.067 8.405 1.00 12.11 H new ATOM 0 HA LEU A 39 -0.449 8.853 9.406 1.00 35.55 H new ATOM 0 HB2 LEU A 39 -2.728 7.388 9.630 1.00 43.31 H new ATOM 0 HB3 LEU A 39 -1.933 6.489 8.353 1.00 43.31 H new ATOM 0 HG LEU A 39 -0.265 7.113 10.732 1.00 2.44 H new ATOM 0 HD11 LEU A 39 -1.232 5.257 12.031 1.00 1.02 H new ATOM 0 HD12 LEU A 39 -2.402 6.577 11.793 1.00 1.02 H new ATOM 0 HD13 LEU A 39 -2.527 5.092 10.821 1.00 1.02 H new ATOM 0 HD21 LEU A 39 0.501 4.806 10.335 1.00 3.10 H new ATOM 0 HD22 LEU A 39 -0.725 4.622 9.059 1.00 3.10 H new ATOM 0 HD23 LEU A 39 0.598 5.796 8.860 1.00 3.10 H new ATOM 634 N PHE A 40 -1.034 8.342 6.245 1.00 32.22 N ATOM 635 CA PHE A 40 -0.407 8.109 4.949 1.00 11.43 C ATOM 636 C PHE A 40 -0.537 9.338 4.054 1.00 3.32 C ATOM 637 O PHE A 40 -1.642 9.749 3.701 1.00 35.33 O ATOM 638 CB PHE A 40 -1.039 6.896 4.264 1.00 42.14 C ATOM 639 CG PHE A 40 -1.344 5.767 5.206 1.00 73.25 C ATOM 640 CD1 PHE A 40 -2.551 5.721 5.885 1.00 0.10 C ATOM 641 CD2 PHE A 40 -0.425 4.751 5.411 1.00 31.41 C ATOM 642 CE1 PHE A 40 -2.834 4.683 6.753 1.00 51.51 C ATOM 643 CE2 PHE A 40 -0.703 3.710 6.278 1.00 41.15 C ATOM 644 CZ PHE A 40 -1.910 3.676 6.948 1.00 4.14 C ATOM 0 H PHE A 40 -2.009 8.638 6.195 1.00 32.22 H new ATOM 0 HA PHE A 40 0.652 7.912 5.115 1.00 11.43 H new ATOM 0 HB2 PHE A 40 -1.960 7.206 3.771 1.00 42.14 H new ATOM 0 HB3 PHE A 40 -0.366 6.537 3.485 1.00 42.14 H new ATOM 0 HD1 PHE A 40 -3.279 6.505 5.734 1.00 0.10 H new ATOM 0 HD2 PHE A 40 0.520 4.772 4.888 1.00 31.41 H new ATOM 0 HE1 PHE A 40 -3.777 4.660 7.278 1.00 51.51 H new ATOM 0 HE2 PHE A 40 0.023 2.925 6.431 1.00 41.15 H new ATOM 0 HZ PHE A 40 -2.131 2.863 7.624 1.00 4.14 H new ATOM 654 N ASP A 41 0.601 9.921 3.692 1.00 54.04 N ATOM 655 CA ASP A 41 0.616 11.103 2.837 1.00 32.14 C ATOM 656 C ASP A 41 -0.216 10.875 1.579 1.00 22.40 C ATOM 657 O ASP A 41 -0.786 11.812 1.021 1.00 51.30 O ATOM 658 CB ASP A 41 2.052 11.464 2.456 1.00 42.22 C ATOM 659 CG ASP A 41 2.332 12.948 2.595 1.00 64.45 C ATOM 660 OD1 ASP A 41 2.115 13.686 1.612 1.00 44.44 O ATOM 661 OD2 ASP A 41 2.769 13.370 3.686 1.00 64.32 O ATOM 0 H ASP A 41 1.524 9.595 3.977 1.00 54.04 H new ATOM 0 HA ASP A 41 0.177 11.930 3.395 1.00 32.14 H new ATOM 0 HB2 ASP A 41 2.744 10.906 3.087 1.00 42.22 H new ATOM 0 HB3 ASP A 41 2.240 11.156 1.427 1.00 42.22 H new ATOM 666 N TYR A 42 -0.279 9.624 1.137 1.00 34.52 N ATOM 667 CA TYR A 42 -1.038 9.272 -0.057 1.00 53.53 C ATOM 668 C TYR A 42 -1.731 7.924 0.114 1.00 63.21 C ATOM 669 O TYR A 42 -1.088 6.915 0.405 1.00 44.03 O ATOM 670 CB TYR A 42 -0.118 9.235 -1.279 1.00 32.53 C ATOM 671 CG TYR A 42 -0.822 8.831 -2.555 1.00 22.44 C ATOM 672 CD1 TYR A 42 -2.098 9.298 -2.845 1.00 43.12 C ATOM 673 CD2 TYR A 42 -0.212 7.981 -3.469 1.00 24.11 C ATOM 674 CE1 TYR A 42 -2.745 8.931 -4.009 1.00 41.23 C ATOM 675 CE2 TYR A 42 -0.851 7.610 -4.636 1.00 44.01 C ATOM 676 CZ TYR A 42 -2.117 8.088 -4.902 1.00 31.53 C ATOM 677 OH TYR A 42 -2.758 7.719 -6.063 1.00 5.24 O ATOM 0 H TYR A 42 0.187 8.836 1.588 1.00 34.52 H new ATOM 0 HA TYR A 42 -1.802 10.035 -0.209 1.00 53.53 H new ATOM 0 HB2 TYR A 42 0.329 10.220 -1.417 1.00 32.53 H new ATOM 0 HB3 TYR A 42 0.698 8.538 -1.088 1.00 32.53 H new ATOM 0 HD1 TYR A 42 -2.592 9.959 -2.149 1.00 43.12 H new ATOM 0 HD2 TYR A 42 0.779 7.604 -3.264 1.00 24.11 H new ATOM 0 HE1 TYR A 42 -3.737 9.302 -4.219 1.00 41.23 H new ATOM 0 HE2 TYR A 42 -0.362 6.949 -5.336 1.00 44.01 H new ATOM 0 HH TYR A 42 -3.724 7.844 -5.957 1.00 5.24 H new ATOM 687 N PHE A 43 -3.047 7.914 -0.069 1.00 42.45 N ATOM 688 CA PHE A 43 -3.829 6.691 0.065 1.00 63.24 C ATOM 689 C PHE A 43 -4.796 6.533 -1.105 1.00 31.32 C ATOM 690 O PHE A 43 -5.704 7.345 -1.287 1.00 63.42 O ATOM 691 CB PHE A 43 -4.603 6.697 1.384 1.00 2.04 C ATOM 692 CG PHE A 43 -4.690 5.346 2.034 1.00 34.23 C ATOM 693 CD1 PHE A 43 -4.619 4.190 1.273 1.00 1.32 C ATOM 694 CD2 PHE A 43 -4.845 5.231 3.407 1.00 42.25 C ATOM 695 CE1 PHE A 43 -4.699 2.945 1.868 1.00 2.22 C ATOM 696 CE2 PHE A 43 -4.925 3.989 4.007 1.00 21.01 C ATOM 697 CZ PHE A 43 -4.853 2.845 3.237 1.00 70.41 C ATOM 0 H PHE A 43 -3.595 8.740 -0.311 1.00 42.45 H new ATOM 0 HA PHE A 43 -3.140 5.847 0.061 1.00 63.24 H new ATOM 0 HB2 PHE A 43 -4.125 7.393 2.073 1.00 2.04 H new ATOM 0 HB3 PHE A 43 -5.611 7.070 1.203 1.00 2.04 H new ATOM 0 HD1 PHE A 43 -4.500 4.263 0.202 1.00 1.32 H new ATOM 0 HD2 PHE A 43 -4.904 6.122 4.014 1.00 42.25 H new ATOM 0 HE1 PHE A 43 -4.641 2.052 1.264 1.00 2.22 H new ATOM 0 HE2 PHE A 43 -5.044 3.913 5.078 1.00 21.01 H new ATOM 0 HZ PHE A 43 -4.917 1.874 3.704 1.00 70.41 H new ATOM 707 N ILE A 44 -4.595 5.483 -1.894 1.00 24.33 N ATOM 708 CA ILE A 44 -5.449 5.218 -3.045 1.00 24.43 C ATOM 709 C ILE A 44 -5.807 3.738 -3.134 1.00 52.10 C ATOM 710 O ILE A 44 -4.934 2.885 -3.297 1.00 14.31 O ATOM 711 CB ILE A 44 -4.772 5.651 -4.359 1.00 74.50 C ATOM 712 CG1 ILE A 44 -5.529 5.078 -5.560 1.00 3.33 C ATOM 713 CG2 ILE A 44 -3.319 5.203 -4.379 1.00 64.43 C ATOM 714 CD1 ILE A 44 -5.622 6.035 -6.727 1.00 44.44 C ATOM 0 H ILE A 44 -3.848 4.802 -1.757 1.00 24.33 H new ATOM 0 HA ILE A 44 -6.359 5.802 -2.905 1.00 24.43 H new ATOM 0 HB ILE A 44 -4.797 6.739 -4.423 1.00 74.50 H new ATOM 0 HG12 ILE A 44 -5.035 4.164 -5.889 1.00 3.33 H new ATOM 0 HG13 ILE A 44 -6.536 4.801 -5.246 1.00 3.33 H new ATOM 0 HG21 ILE A 44 -2.854 5.516 -5.314 1.00 64.43 H new ATOM 0 HG22 ILE A 44 -2.788 5.654 -3.541 1.00 64.43 H new ATOM 0 HG23 ILE A 44 -3.272 4.117 -4.297 1.00 64.43 H new ATOM 0 HD11 ILE A 44 -6.171 5.563 -7.542 1.00 44.44 H new ATOM 0 HD12 ILE A 44 -6.143 6.940 -6.415 1.00 44.44 H new ATOM 0 HD13 ILE A 44 -4.619 6.293 -7.067 1.00 44.44 H new ATOM 726 N VAL A 45 -7.098 3.440 -3.028 1.00 14.30 N ATOM 727 CA VAL A 45 -7.574 2.064 -3.100 1.00 21.13 C ATOM 728 C VAL A 45 -8.573 1.886 -4.237 1.00 52.32 C ATOM 729 O VAL A 45 -9.417 2.749 -4.477 1.00 31.25 O ATOM 730 CB VAL A 45 -8.234 1.629 -1.778 1.00 75.21 C ATOM 731 CG1 VAL A 45 -8.233 0.113 -1.654 1.00 22.21 C ATOM 732 CG2 VAL A 45 -7.528 2.270 -0.593 1.00 62.23 C ATOM 0 H VAL A 45 -7.833 4.134 -2.892 1.00 14.30 H new ATOM 0 HA VAL A 45 -6.702 1.437 -3.286 1.00 21.13 H new ATOM 0 HB VAL A 45 -9.270 1.969 -1.781 1.00 75.21 H new ATOM 0 HG11 VAL A 45 -8.703 -0.175 -0.714 1.00 22.21 H new ATOM 0 HG12 VAL A 45 -8.789 -0.320 -2.486 1.00 22.21 H new ATOM 0 HG13 VAL A 45 -7.206 -0.253 -1.674 1.00 22.21 H new ATOM 0 HG21 VAL A 45 -8.008 1.951 0.332 1.00 62.23 H new ATOM 0 HG22 VAL A 45 -6.482 1.964 -0.583 1.00 62.23 H new ATOM 0 HG23 VAL A 45 -7.587 3.355 -0.677 1.00 62.23 H new ATOM 742 N GLY A 46 -8.472 0.760 -4.936 1.00 63.25 N ATOM 743 CA GLY A 46 -9.373 0.489 -6.041 1.00 31.40 C ATOM 744 C GLY A 46 -9.926 -0.922 -6.005 1.00 35.12 C ATOM 745 O GLY A 46 -9.183 -1.882 -5.802 1.00 52.41 O ATOM 0 H GLY A 46 -7.782 0.030 -4.757 1.00 63.25 H new ATOM 0 HA2 GLY A 46 -10.199 1.200 -6.016 1.00 31.40 H new ATOM 0 HA3 GLY A 46 -8.846 0.646 -6.982 1.00 31.40 H new ATOM 749 N GLU A 47 -11.235 -1.048 -6.200 1.00 74.12 N ATOM 750 CA GLU A 47 -11.887 -2.352 -6.186 1.00 71.41 C ATOM 751 C GLU A 47 -11.885 -2.977 -7.579 1.00 11.44 C ATOM 752 O GLU A 47 -12.200 -2.314 -8.567 1.00 31.43 O ATOM 753 CB GLU A 47 -13.324 -2.224 -5.675 1.00 24.01 C ATOM 754 CG GLU A 47 -14.051 -3.553 -5.565 1.00 34.25 C ATOM 755 CD GLU A 47 -15.070 -3.754 -6.670 1.00 30.13 C ATOM 756 OE1 GLU A 47 -14.657 -4.065 -7.807 1.00 32.13 O ATOM 757 OE2 GLU A 47 -16.279 -3.600 -6.398 1.00 70.33 O ATOM 0 H GLU A 47 -11.864 -0.263 -6.369 1.00 74.12 H new ATOM 0 HA GLU A 47 -11.327 -3.002 -5.514 1.00 71.41 H new ATOM 0 HB2 GLU A 47 -13.311 -1.744 -4.696 1.00 24.01 H new ATOM 0 HB3 GLU A 47 -13.882 -1.569 -6.344 1.00 24.01 H new ATOM 0 HG2 GLU A 47 -13.324 -4.364 -5.595 1.00 34.25 H new ATOM 0 HG3 GLU A 47 -14.552 -3.610 -4.599 1.00 34.25 H new ATOM 764 N GLU A 48 -11.527 -4.255 -7.647 1.00 72.12 N ATOM 765 CA GLU A 48 -11.483 -4.968 -8.918 1.00 63.14 C ATOM 766 C GLU A 48 -12.733 -5.822 -9.107 1.00 55.34 C ATOM 767 O GLU A 48 -13.216 -6.453 -8.168 1.00 4.43 O ATOM 768 CB GLU A 48 -10.234 -5.850 -8.991 1.00 14.15 C ATOM 769 CG GLU A 48 -10.052 -6.537 -10.333 1.00 64.42 C ATOM 770 CD GLU A 48 -9.914 -8.042 -10.204 1.00 42.02 C ATOM 771 OE1 GLU A 48 -10.928 -8.706 -9.902 1.00 64.14 O ATOM 772 OE2 GLU A 48 -8.793 -8.555 -10.405 1.00 33.13 O ATOM 0 H GLU A 48 -11.263 -4.817 -6.838 1.00 72.12 H new ATOM 0 HA GLU A 48 -11.445 -4.229 -9.718 1.00 63.14 H new ATOM 0 HB2 GLU A 48 -9.356 -5.239 -8.783 1.00 14.15 H new ATOM 0 HB3 GLU A 48 -10.288 -6.607 -8.209 1.00 14.15 H new ATOM 0 HG2 GLU A 48 -10.904 -6.308 -10.973 1.00 64.42 H new ATOM 0 HG3 GLU A 48 -9.166 -6.136 -10.825 1.00 64.42 H new ATOM 779 N GLY A 49 -13.254 -5.835 -10.331 1.00 34.23 N ATOM 780 CA GLY A 49 -14.444 -6.613 -10.622 1.00 35.23 C ATOM 781 C GLY A 49 -14.612 -6.884 -12.104 1.00 12.04 C ATOM 782 O GLY A 49 -15.435 -6.254 -12.767 1.00 62.41 O ATOM 0 H GLY A 49 -12.873 -5.321 -11.125 1.00 34.23 H new ATOM 0 HA2 GLY A 49 -14.395 -7.561 -10.086 1.00 35.23 H new ATOM 0 HA3 GLY A 49 -15.321 -6.082 -10.251 1.00 35.23 H new ATOM 786 N ASN A 50 -13.829 -7.823 -12.624 1.00 43.24 N ATOM 787 CA ASN A 50 -13.893 -8.174 -14.038 1.00 42.15 C ATOM 788 C ASN A 50 -15.278 -8.695 -14.407 1.00 75.13 C ATOM 789 O ASN A 50 -16.215 -8.612 -13.613 1.00 64.40 O ATOM 790 CB ASN A 50 -12.834 -9.227 -14.372 1.00 51.25 C ATOM 791 CG ASN A 50 -12.021 -8.860 -15.599 1.00 22.12 C ATOM 792 OD1 ASN A 50 -12.573 -8.521 -16.645 1.00 75.34 O ATOM 793 ND2 ASN A 50 -10.700 -8.927 -15.474 1.00 53.34 N ATOM 0 H ASN A 50 -13.143 -8.354 -12.088 1.00 43.24 H new ATOM 0 HA ASN A 50 -13.696 -7.273 -14.619 1.00 42.15 H new ATOM 0 HB2 ASN A 50 -12.166 -9.349 -13.520 1.00 51.25 H new ATOM 0 HB3 ASN A 50 -13.321 -10.189 -14.536 1.00 51.25 H new ATOM 0 HD21 ASN A 50 -10.100 -8.692 -16.265 1.00 53.34 H new ATOM 0 HD22 ASN A 50 -10.286 -9.213 -14.587 1.00 53.34 H new ATOM 800 N GLU A 51 -15.400 -9.232 -15.617 1.00 71.32 N ATOM 801 CA GLU A 51 -16.671 -9.767 -16.091 1.00 15.32 C ATOM 802 C GLU A 51 -17.165 -10.886 -15.178 1.00 52.50 C ATOM 803 O GLU A 51 -16.480 -11.278 -14.235 1.00 24.23 O ATOM 804 CB GLU A 51 -16.530 -10.287 -17.523 1.00 2.13 C ATOM 805 CG GLU A 51 -17.627 -9.804 -18.457 1.00 65.20 C ATOM 806 CD GLU A 51 -17.451 -10.313 -19.875 1.00 34.55 C ATOM 807 OE1 GLU A 51 -16.809 -11.370 -20.049 1.00 60.24 O ATOM 808 OE2 GLU A 51 -17.956 -9.656 -20.808 1.00 70.04 O ATOM 0 H GLU A 51 -14.634 -9.308 -16.287 1.00 71.32 H new ATOM 0 HA GLU A 51 -17.403 -8.960 -16.076 1.00 15.32 H new ATOM 0 HB2 GLU A 51 -15.564 -9.976 -17.920 1.00 2.13 H new ATOM 0 HB3 GLU A 51 -16.532 -11.377 -17.507 1.00 2.13 H new ATOM 0 HG2 GLU A 51 -18.594 -10.130 -18.075 1.00 65.20 H new ATOM 0 HG3 GLU A 51 -17.639 -8.714 -18.465 1.00 65.20 H new ATOM 815 N GLU A 52 -18.359 -11.393 -15.467 1.00 34.24 N ATOM 816 CA GLU A 52 -18.945 -12.466 -14.671 1.00 14.51 C ATOM 817 C GLU A 52 -17.985 -13.646 -14.557 1.00 40.05 C ATOM 818 O GLU A 52 -17.169 -13.884 -15.447 1.00 32.30 O ATOM 819 CB GLU A 52 -20.267 -12.926 -15.290 1.00 24.50 C ATOM 820 CG GLU A 52 -20.942 -14.047 -14.518 1.00 34.13 C ATOM 821 CD GLU A 52 -22.247 -14.489 -15.152 1.00 40.50 C ATOM 822 OE1 GLU A 52 -22.204 -15.065 -16.259 1.00 30.44 O ATOM 823 OE2 GLU A 52 -23.311 -14.257 -14.541 1.00 13.11 O ATOM 0 H GLU A 52 -18.939 -11.079 -16.245 1.00 34.24 H new ATOM 0 HA GLU A 52 -19.136 -12.079 -13.670 1.00 14.51 H new ATOM 0 HB2 GLU A 52 -20.947 -12.076 -15.348 1.00 24.50 H new ATOM 0 HB3 GLU A 52 -20.084 -13.259 -16.312 1.00 24.50 H new ATOM 0 HG2 GLU A 52 -20.265 -14.899 -14.456 1.00 34.13 H new ATOM 0 HG3 GLU A 52 -21.132 -13.717 -13.497 1.00 34.13 H new ATOM 830 N GLY A 53 -18.089 -14.382 -13.455 1.00 4.01 N ATOM 831 CA GLY A 53 -17.224 -15.528 -13.244 1.00 64.01 C ATOM 832 C GLY A 53 -16.051 -15.210 -12.337 1.00 70.45 C ATOM 833 O GLY A 53 -15.471 -16.107 -11.724 1.00 55.31 O ATOM 0 H GLY A 53 -18.757 -14.205 -12.705 1.00 4.01 H new ATOM 0 HA2 GLY A 53 -17.804 -16.342 -12.810 1.00 64.01 H new ATOM 0 HA3 GLY A 53 -16.851 -15.880 -14.206 1.00 64.01 H new ATOM 837 N ARG A 54 -15.699 -13.931 -12.254 1.00 34.54 N ATOM 838 CA ARG A 54 -14.586 -13.498 -11.418 1.00 32.43 C ATOM 839 C ARG A 54 -15.091 -12.797 -10.160 1.00 53.24 C ATOM 840 O ARG A 54 -15.993 -11.960 -10.222 1.00 60.21 O ATOM 841 CB ARG A 54 -13.666 -12.562 -12.202 1.00 44.14 C ATOM 842 CG ARG A 54 -12.448 -12.105 -11.416 1.00 64.50 C ATOM 843 CD ARG A 54 -11.157 -12.426 -12.153 1.00 44.20 C ATOM 844 NE ARG A 54 -10.767 -13.824 -11.992 1.00 71.14 N ATOM 845 CZ ARG A 54 -9.781 -14.395 -12.674 1.00 65.25 C ATOM 846 NH1 ARG A 54 -9.087 -13.691 -13.558 1.00 71.24 N ATOM 847 NH2 ARG A 54 -9.486 -15.673 -12.472 1.00 64.04 N ATOM 0 H ARG A 54 -16.168 -13.177 -12.755 1.00 34.54 H new ATOM 0 HA ARG A 54 -14.024 -14.382 -11.119 1.00 32.43 H new ATOM 0 HB2 ARG A 54 -13.334 -13.068 -13.108 1.00 44.14 H new ATOM 0 HB3 ARG A 54 -14.235 -11.687 -12.516 1.00 44.14 H new ATOM 0 HG2 ARG A 54 -12.510 -11.031 -11.239 1.00 64.50 H new ATOM 0 HG3 ARG A 54 -12.441 -12.589 -10.440 1.00 64.50 H new ATOM 0 HD2 ARG A 54 -11.280 -12.204 -13.213 1.00 44.20 H new ATOM 0 HD3 ARG A 54 -10.359 -11.782 -11.783 1.00 44.20 H new ATOM 0 HE ARG A 54 -11.280 -14.393 -11.319 1.00 71.14 H new ATOM 0 HH11 ARG A 54 -9.310 -12.708 -13.716 1.00 71.24 H new ATOM 0 HH12 ARG A 54 -8.330 -14.132 -14.080 1.00 71.24 H new ATOM 0 HH21 ARG A 54 -10.017 -16.218 -11.792 1.00 64.04 H new ATOM 0 HH22 ARG A 54 -8.728 -16.111 -12.996 1.00 64.04 H new ATOM 861 N THR A 55 -14.504 -13.143 -9.019 1.00 32.50 N ATOM 862 CA THR A 55 -14.895 -12.549 -7.747 1.00 72.01 C ATOM 863 C THR A 55 -14.227 -11.194 -7.545 1.00 24.12 C ATOM 864 O THR A 55 -13.211 -10.877 -8.165 1.00 31.23 O ATOM 865 CB THR A 55 -14.536 -13.468 -6.564 1.00 14.43 C ATOM 866 OG1 THR A 55 -13.578 -14.448 -6.978 1.00 34.14 O ATOM 867 CG2 THR A 55 -15.777 -14.161 -6.021 1.00 51.22 C ATOM 0 H THR A 55 -13.755 -13.832 -8.950 1.00 32.50 H new ATOM 0 HA THR A 55 -15.976 -12.416 -7.779 1.00 72.01 H new ATOM 0 HB THR A 55 -14.107 -12.854 -5.772 1.00 14.43 H new ATOM 0 HG1 THR A 55 -12.755 -14.000 -7.266 1.00 34.14 H new ATOM 0 HG21 THR A 55 -15.499 -14.805 -5.186 1.00 51.22 H new ATOM 0 HG22 THR A 55 -16.492 -13.412 -5.679 1.00 51.22 H new ATOM 0 HG23 THR A 55 -16.231 -14.763 -6.808 1.00 51.22 H new ATOM 875 N PRO A 56 -14.807 -10.374 -6.656 1.00 42.23 N ATOM 876 CA PRO A 56 -14.282 -9.039 -6.351 1.00 35.31 C ATOM 877 C PRO A 56 -12.965 -9.095 -5.586 1.00 24.41 C ATOM 878 O PRO A 56 -12.886 -9.683 -4.507 1.00 32.43 O ATOM 879 CB PRO A 56 -15.379 -8.418 -5.482 1.00 41.44 C ATOM 880 CG PRO A 56 -16.077 -9.579 -4.864 1.00 70.54 C ATOM 881 CD PRO A 56 -16.019 -10.686 -5.881 1.00 11.01 C ATOM 0 HA PRO A 56 -14.061 -8.471 -7.255 1.00 35.31 H new ATOM 0 HB2 PRO A 56 -14.957 -7.760 -4.722 1.00 41.44 H new ATOM 0 HB3 PRO A 56 -16.064 -7.817 -6.080 1.00 41.44 H new ATOM 0 HG2 PRO A 56 -15.591 -9.877 -3.935 1.00 70.54 H new ATOM 0 HG3 PRO A 56 -17.109 -9.328 -4.618 1.00 70.54 H new ATOM 0 HD2 PRO A 56 -15.951 -11.665 -5.406 1.00 11.01 H new ATOM 0 HD3 PRO A 56 -16.907 -10.699 -6.512 1.00 11.01 H new ATOM 889 N HIS A 57 -11.931 -8.480 -6.151 1.00 42.20 N ATOM 890 CA HIS A 57 -10.616 -8.459 -5.521 1.00 24.03 C ATOM 891 C HIS A 57 -10.227 -7.039 -5.121 1.00 12.22 C ATOM 892 O HIS A 57 -10.463 -6.086 -5.866 1.00 21.53 O ATOM 893 CB HIS A 57 -9.564 -9.041 -6.466 1.00 53.44 C ATOM 894 CG HIS A 57 -8.160 -8.883 -5.970 1.00 41.04 C ATOM 895 ND1 HIS A 57 -7.350 -7.826 -6.327 1.00 40.43 N ATOM 896 CD2 HIS A 57 -7.423 -9.656 -5.139 1.00 3.33 C ATOM 897 CE1 HIS A 57 -6.175 -7.956 -5.738 1.00 42.31 C ATOM 898 NE2 HIS A 57 -6.193 -9.058 -5.011 1.00 11.14 N ATOM 0 H HIS A 57 -11.978 -7.990 -7.044 1.00 42.20 H new ATOM 0 HA HIS A 57 -10.663 -9.071 -4.621 1.00 24.03 H new ATOM 0 HB2 HIS A 57 -9.770 -10.101 -6.617 1.00 53.44 H new ATOM 0 HB3 HIS A 57 -9.654 -8.557 -7.438 1.00 53.44 H new ATOM 0 HD1 HIS A 57 -7.617 -7.063 -6.949 1.00 40.43 H new ATOM 0 HD2 HIS A 57 -7.742 -10.572 -4.665 1.00 3.33 H new ATOM 0 HE1 HIS A 57 -5.341 -7.276 -5.835 1.00 42.31 H new ATOM 906 N LEU A 58 -9.632 -6.904 -3.941 1.00 1.40 N ATOM 907 CA LEU A 58 -9.211 -5.599 -3.441 1.00 73.23 C ATOM 908 C LEU A 58 -7.748 -5.333 -3.778 1.00 64.14 C ATOM 909 O LEU A 58 -6.886 -6.184 -3.558 1.00 11.44 O ATOM 910 CB LEU A 58 -9.421 -5.519 -1.928 1.00 43.11 C ATOM 911 CG LEU A 58 -10.218 -4.316 -1.424 1.00 15.12 C ATOM 912 CD1 LEU A 58 -10.221 -4.277 0.096 1.00 15.25 C ATOM 913 CD2 LEU A 58 -9.650 -3.023 -1.991 1.00 72.33 C ATOM 0 H LEU A 58 -9.430 -7.682 -3.312 1.00 1.40 H new ATOM 0 HA LEU A 58 -9.820 -4.837 -3.927 1.00 73.23 H new ATOM 0 HB2 LEU A 58 -9.928 -6.427 -1.603 1.00 43.11 H new ATOM 0 HB3 LEU A 58 -8.444 -5.510 -1.446 1.00 43.11 H new ATOM 0 HG LEU A 58 -11.248 -4.418 -1.767 1.00 15.12 H new ATOM 0 HD11 LEU A 58 -10.793 -3.414 0.437 1.00 15.25 H new ATOM 0 HD12 LEU A 58 -10.676 -5.189 0.482 1.00 15.25 H new ATOM 0 HD13 LEU A 58 -9.196 -4.200 0.460 1.00 15.25 H new ATOM 0 HD21 LEU A 58 -10.230 -2.178 -1.621 1.00 72.33 H new ATOM 0 HD22 LEU A 58 -8.611 -2.914 -1.679 1.00 72.33 H new ATOM 0 HD23 LEU A 58 -9.701 -3.050 -3.079 1.00 72.33 H new ATOM 925 N GLN A 59 -7.475 -4.147 -4.312 1.00 41.21 N ATOM 926 CA GLN A 59 -6.115 -3.769 -4.678 1.00 0.32 C ATOM 927 C GLN A 59 -5.908 -2.265 -4.526 1.00 33.35 C ATOM 928 O GLN A 59 -6.481 -1.471 -5.270 1.00 71.33 O ATOM 929 CB GLN A 59 -5.814 -4.194 -6.116 1.00 53.31 C ATOM 930 CG GLN A 59 -4.564 -3.548 -6.693 1.00 34.34 C ATOM 931 CD GLN A 59 -3.320 -3.865 -5.887 1.00 64.14 C ATOM 932 OE1 GLN A 59 -3.234 -3.542 -4.702 1.00 71.22 O ATOM 933 NE2 GLN A 59 -2.346 -4.501 -6.528 1.00 43.31 N ATOM 0 H GLN A 59 -8.177 -3.432 -4.501 1.00 41.21 H new ATOM 0 HA GLN A 59 -5.429 -4.282 -4.004 1.00 0.32 H new ATOM 0 HB2 GLN A 59 -5.701 -5.278 -6.150 1.00 53.31 H new ATOM 0 HB3 GLN A 59 -6.667 -3.942 -6.746 1.00 53.31 H new ATOM 0 HG2 GLN A 59 -4.424 -3.888 -7.719 1.00 34.34 H new ATOM 0 HG3 GLN A 59 -4.702 -2.467 -6.731 1.00 34.34 H new ATOM 0 HE21 GLN A 59 -2.460 -4.750 -7.511 1.00 43.31 H new ATOM 0 HE22 GLN A 59 -1.484 -4.741 -6.038 1.00 43.31 H new ATOM 942 N GLY A 60 -5.085 -1.881 -3.554 1.00 75.31 N ATOM 943 CA GLY A 60 -4.818 -0.474 -3.321 1.00 53.04 C ATOM 944 C GLY A 60 -3.401 -0.224 -2.846 1.00 11.24 C ATOM 945 O GLY A 60 -2.710 -1.149 -2.418 1.00 45.44 O ATOM 0 H GLY A 60 -4.599 -2.519 -2.924 1.00 75.31 H new ATOM 0 HA2 GLY A 60 -4.993 0.083 -4.241 1.00 53.04 H new ATOM 0 HA3 GLY A 60 -5.519 -0.092 -2.579 1.00 53.04 H new ATOM 949 N PHE A 61 -2.966 1.030 -2.920 1.00 60.44 N ATOM 950 CA PHE A 61 -1.620 1.398 -2.496 1.00 54.43 C ATOM 951 C PHE A 61 -1.661 2.564 -1.512 1.00 64.12 C ATOM 952 O PHE A 61 -2.445 3.498 -1.672 1.00 54.20 O ATOM 953 CB PHE A 61 -0.764 1.769 -3.709 1.00 12.41 C ATOM 954 CG PHE A 61 0.522 2.455 -3.347 1.00 40.52 C ATOM 955 CD1 PHE A 61 1.406 1.873 -2.453 1.00 35.12 C ATOM 956 CD2 PHE A 61 0.848 3.682 -3.902 1.00 40.50 C ATOM 957 CE1 PHE A 61 2.589 2.503 -2.118 1.00 23.53 C ATOM 958 CE2 PHE A 61 2.031 4.317 -3.571 1.00 73.31 C ATOM 959 CZ PHE A 61 2.903 3.725 -2.678 1.00 51.25 C ATOM 0 H PHE A 61 -3.526 1.808 -3.269 1.00 60.44 H new ATOM 0 HA PHE A 61 -1.175 0.538 -1.996 1.00 54.43 H new ATOM 0 HB2 PHE A 61 -0.538 0.865 -4.274 1.00 12.41 H new ATOM 0 HB3 PHE A 61 -1.341 2.420 -4.366 1.00 12.41 H new ATOM 0 HD1 PHE A 61 1.168 0.916 -2.013 1.00 35.12 H new ATOM 0 HD2 PHE A 61 0.170 4.148 -4.602 1.00 40.50 H new ATOM 0 HE1 PHE A 61 3.268 2.039 -1.418 1.00 23.53 H new ATOM 0 HE2 PHE A 61 2.273 5.274 -4.010 1.00 73.31 H new ATOM 0 HZ PHE A 61 3.829 4.217 -2.418 1.00 51.25 H new ATOM 969 N ALA A 62 -0.809 2.500 -0.494 1.00 10.31 N ATOM 970 CA ALA A 62 -0.746 3.550 0.515 1.00 25.05 C ATOM 971 C ALA A 62 0.700 3.892 0.861 1.00 14.43 C ATOM 972 O ALA A 62 1.520 3.005 1.090 1.00 32.43 O ATOM 973 CB ALA A 62 -1.503 3.127 1.765 1.00 33.22 C ATOM 0 H ALA A 62 -0.153 1.733 -0.346 1.00 10.31 H new ATOM 0 HA ALA A 62 -1.216 4.444 0.104 1.00 25.05 H new ATOM 0 HB1 ALA A 62 -1.448 3.921 2.510 1.00 33.22 H new ATOM 0 HB2 ALA A 62 -2.546 2.939 1.512 1.00 33.22 H new ATOM 0 HB3 ALA A 62 -1.058 2.218 2.170 1.00 33.22 H new ATOM 979 N ASN A 63 1.004 5.186 0.896 1.00 23.45 N ATOM 980 CA ASN A 63 2.352 5.645 1.213 1.00 32.02 C ATOM 981 C ASN A 63 2.464 6.026 2.686 1.00 25.23 C ATOM 982 O ASN A 63 1.845 6.989 3.139 1.00 61.21 O ATOM 983 CB ASN A 63 2.725 6.842 0.336 1.00 75.44 C ATOM 984 CG ASN A 63 3.517 6.434 -0.891 1.00 43.13 C ATOM 985 OD1 ASN A 63 4.497 5.695 -0.794 1.00 33.42 O ATOM 986 ND2 ASN A 63 3.096 6.916 -2.055 1.00 1.43 N ATOM 0 H ASN A 63 0.336 5.934 0.709 1.00 23.45 H new ATOM 0 HA ASN A 63 3.044 4.827 1.013 1.00 32.02 H new ATOM 0 HB2 ASN A 63 1.817 7.358 0.024 1.00 75.44 H new ATOM 0 HB3 ASN A 63 3.309 7.551 0.923 1.00 75.44 H new ATOM 0 HD21 ASN A 63 3.590 6.677 -2.915 1.00 1.43 H new ATOM 0 HD22 ASN A 63 2.279 7.525 -2.089 1.00 1.43 H new ATOM 993 N PHE A 64 3.260 5.264 3.430 1.00 71.34 N ATOM 994 CA PHE A 64 3.454 5.520 4.852 1.00 41.41 C ATOM 995 C PHE A 64 4.221 6.821 5.070 1.00 44.21 C ATOM 996 O PHE A 64 5.285 7.033 4.487 1.00 11.10 O ATOM 997 CB PHE A 64 4.204 4.357 5.504 1.00 2.20 C ATOM 998 CG PHE A 64 3.346 3.526 6.415 1.00 44.04 C ATOM 999 CD1 PHE A 64 2.962 4.007 7.656 1.00 40.11 C ATOM 1000 CD2 PHE A 64 2.924 2.264 6.029 1.00 12.12 C ATOM 1001 CE1 PHE A 64 2.173 3.244 8.496 1.00 24.10 C ATOM 1002 CE2 PHE A 64 2.135 1.496 6.865 1.00 54.40 C ATOM 1003 CZ PHE A 64 1.758 1.988 8.100 1.00 61.44 C ATOM 0 H PHE A 64 3.781 4.464 3.071 1.00 71.34 H new ATOM 0 HA PHE A 64 2.472 5.615 5.316 1.00 41.41 H new ATOM 0 HB2 PHE A 64 4.616 3.718 4.723 1.00 2.20 H new ATOM 0 HB3 PHE A 64 5.047 4.751 6.072 1.00 2.20 H new ATOM 0 HD1 PHE A 64 3.283 4.989 7.971 1.00 40.11 H new ATOM 0 HD2 PHE A 64 3.215 1.876 5.064 1.00 12.12 H new ATOM 0 HE1 PHE A 64 1.881 3.630 9.462 1.00 24.10 H new ATOM 0 HE2 PHE A 64 1.814 0.513 6.553 1.00 54.40 H new ATOM 0 HZ PHE A 64 1.140 1.391 8.754 1.00 61.44 H new ATOM 1013 N VAL A 65 3.674 7.690 5.913 1.00 14.25 N ATOM 1014 CA VAL A 65 4.305 8.970 6.210 1.00 45.32 C ATOM 1015 C VAL A 65 5.688 8.772 6.822 1.00 54.31 C ATOM 1016 O VAL A 65 6.544 9.653 6.747 1.00 4.31 O ATOM 1017 CB VAL A 65 3.446 9.811 7.172 1.00 13.30 C ATOM 1018 CG1 VAL A 65 4.206 11.049 7.625 1.00 74.25 C ATOM 1019 CG2 VAL A 65 2.130 10.195 6.513 1.00 54.13 C ATOM 0 H VAL A 65 2.794 7.531 6.403 1.00 14.25 H new ATOM 0 HA VAL A 65 4.402 9.502 5.263 1.00 45.32 H new ATOM 0 HB VAL A 65 3.223 9.209 8.053 1.00 13.30 H new ATOM 0 HG11 VAL A 65 3.583 11.630 8.304 1.00 74.25 H new ATOM 0 HG12 VAL A 65 5.119 10.748 8.139 1.00 74.25 H new ATOM 0 HG13 VAL A 65 4.462 11.657 6.757 1.00 74.25 H new ATOM 0 HG21 VAL A 65 1.535 10.789 7.207 1.00 54.13 H new ATOM 0 HG22 VAL A 65 2.330 10.779 5.614 1.00 54.13 H new ATOM 0 HG23 VAL A 65 1.581 9.293 6.245 1.00 54.13 H new ATOM 1029 N LYS A 66 5.899 7.609 7.428 1.00 60.22 N ATOM 1030 CA LYS A 66 7.178 7.292 8.052 1.00 10.14 C ATOM 1031 C LYS A 66 7.712 5.954 7.551 1.00 35.24 C ATOM 1032 O LYS A 66 7.134 5.340 6.654 1.00 43.24 O ATOM 1033 CB LYS A 66 7.030 7.257 9.575 1.00 23.42 C ATOM 1034 CG LYS A 66 5.830 6.457 10.051 1.00 23.54 C ATOM 1035 CD LYS A 66 4.625 7.349 10.292 1.00 13.52 C ATOM 1036 CE LYS A 66 4.568 7.833 11.733 1.00 3.22 C ATOM 1037 NZ LYS A 66 3.768 9.082 11.868 1.00 4.01 N ATOM 0 H LYS A 66 5.200 6.870 7.500 1.00 60.22 H new ATOM 0 HA LYS A 66 7.890 8.071 7.780 1.00 10.14 H new ATOM 0 HB2 LYS A 66 7.935 6.832 10.010 1.00 23.42 H new ATOM 0 HB3 LYS A 66 6.946 8.278 9.947 1.00 23.42 H new ATOM 0 HG2 LYS A 66 5.580 5.699 9.309 1.00 23.54 H new ATOM 0 HG3 LYS A 66 6.084 5.931 10.971 1.00 23.54 H new ATOM 0 HD2 LYS A 66 4.666 8.207 9.621 1.00 13.52 H new ATOM 0 HD3 LYS A 66 3.713 6.802 10.055 1.00 13.52 H new ATOM 0 HE2 LYS A 66 4.134 7.054 12.361 1.00 3.22 H new ATOM 0 HE3 LYS A 66 5.580 8.009 12.097 1.00 3.22 H new ATOM 0 HZ1 LYS A 66 3.754 9.379 12.865 1.00 4.01 H new ATOM 0 HZ2 LYS A 66 4.196 9.833 11.289 1.00 4.01 H new ATOM 0 HZ3 LYS A 66 2.795 8.908 11.545 1.00 4.01 H new ATOM 1051 N LYS A 67 8.816 5.505 8.138 1.00 10.33 N ATOM 1052 CA LYS A 67 9.427 4.238 7.754 1.00 14.22 C ATOM 1053 C LYS A 67 8.841 3.085 8.563 1.00 61.13 C ATOM 1054 O LYS A 67 8.868 3.102 9.793 1.00 62.31 O ATOM 1055 CB LYS A 67 10.943 4.298 7.955 1.00 74.54 C ATOM 1056 CG LYS A 67 11.662 5.137 6.912 1.00 35.35 C ATOM 1057 CD LYS A 67 12.672 4.312 6.133 1.00 4.22 C ATOM 1058 CE LYS A 67 13.695 5.197 5.436 1.00 15.02 C ATOM 1059 NZ LYS A 67 13.442 5.289 3.972 1.00 74.15 N ATOM 0 H LYS A 67 9.307 6.000 8.883 1.00 10.33 H new ATOM 0 HA LYS A 67 9.213 4.064 6.699 1.00 14.22 H new ATOM 0 HB2 LYS A 67 11.154 4.704 8.944 1.00 74.54 H new ATOM 0 HB3 LYS A 67 11.344 3.285 7.934 1.00 74.54 H new ATOM 0 HG2 LYS A 67 10.934 5.567 6.224 1.00 35.35 H new ATOM 0 HG3 LYS A 67 12.169 5.969 7.400 1.00 35.35 H new ATOM 0 HD2 LYS A 67 13.183 3.627 6.809 1.00 4.22 H new ATOM 0 HD3 LYS A 67 12.153 3.702 5.394 1.00 4.22 H new ATOM 0 HE2 LYS A 67 13.669 6.195 5.873 1.00 15.02 H new ATOM 0 HE3 LYS A 67 14.696 4.800 5.607 1.00 15.02 H new ATOM 0 HZ1 LYS A 67 14.160 5.900 3.533 1.00 74.15 H new ATOM 0 HZ2 LYS A 67 13.492 4.339 3.551 1.00 74.15 H new ATOM 0 HZ3 LYS A 67 12.497 5.692 3.808 1.00 74.15 H new ATOM 1073 N GLN A 68 8.314 2.085 7.863 1.00 42.20 N ATOM 1074 CA GLN A 68 7.723 0.924 8.517 1.00 23.22 C ATOM 1075 C GLN A 68 8.176 -0.368 7.845 1.00 31.44 C ATOM 1076 O GLN A 68 8.465 -0.391 6.648 1.00 2.25 O ATOM 1077 CB GLN A 68 6.197 1.019 8.491 1.00 72.24 C ATOM 1078 CG GLN A 68 5.657 2.304 9.097 1.00 54.05 C ATOM 1079 CD GLN A 68 5.829 2.357 10.602 1.00 50.23 C ATOM 1080 OE1 GLN A 68 5.400 1.454 11.320 1.00 73.54 O ATOM 1081 NE2 GLN A 68 6.460 3.419 11.088 1.00 3.25 N ATOM 0 H GLN A 68 8.284 2.056 6.844 1.00 42.20 H new ATOM 0 HA GLN A 68 8.061 0.911 9.553 1.00 23.22 H new ATOM 0 HB2 GLN A 68 5.854 0.942 7.459 1.00 72.24 H new ATOM 0 HB3 GLN A 68 5.779 0.169 9.031 1.00 72.24 H new ATOM 0 HG2 GLN A 68 6.167 3.156 8.647 1.00 54.05 H new ATOM 0 HG3 GLN A 68 4.599 2.400 8.852 1.00 54.05 H new ATOM 0 HE21 GLN A 68 6.799 4.144 10.456 1.00 3.25 H new ATOM 0 HE22 GLN A 68 6.606 3.510 12.093 1.00 3.25 H new ATOM 1090 N THR A 69 8.236 -1.445 8.623 1.00 12.24 N ATOM 1091 CA THR A 69 8.655 -2.741 8.104 1.00 13.45 C ATOM 1092 C THR A 69 7.461 -3.544 7.602 1.00 54.32 C ATOM 1093 O THR A 69 6.309 -3.169 7.825 1.00 3.02 O ATOM 1094 CB THR A 69 9.397 -3.562 9.176 1.00 53.30 C ATOM 1095 OG1 THR A 69 8.466 -4.055 10.146 1.00 24.41 O ATOM 1096 CG2 THR A 69 10.457 -2.717 9.867 1.00 62.45 C ATOM 0 H THR A 69 7.999 -1.445 9.615 1.00 12.24 H new ATOM 0 HA THR A 69 9.333 -2.545 7.273 1.00 13.45 H new ATOM 0 HB THR A 69 9.888 -4.402 8.684 1.00 53.30 H new ATOM 0 HG1 THR A 69 8.945 -4.577 10.823 1.00 24.41 H new ATOM 0 HG21 THR A 69 10.968 -3.318 10.620 1.00 62.45 H new ATOM 0 HG22 THR A 69 11.180 -2.367 9.130 1.00 62.45 H new ATOM 0 HG23 THR A 69 9.984 -1.860 10.347 1.00 62.45 H new ATOM 1104 N PHE A 70 7.742 -4.651 6.922 1.00 14.42 N ATOM 1105 CA PHE A 70 6.690 -5.507 6.387 1.00 34.23 C ATOM 1106 C PHE A 70 5.821 -6.067 7.510 1.00 71.12 C ATOM 1107 O PHE A 70 4.599 -5.925 7.493 1.00 1.43 O ATOM 1108 CB PHE A 70 7.299 -6.654 5.578 1.00 33.00 C ATOM 1109 CG PHE A 70 6.343 -7.785 5.328 1.00 55.02 C ATOM 1110 CD1 PHE A 70 5.196 -7.587 4.576 1.00 51.23 C ATOM 1111 CD2 PHE A 70 6.590 -9.046 5.845 1.00 21.33 C ATOM 1112 CE1 PHE A 70 4.314 -8.626 4.343 1.00 1.52 C ATOM 1113 CE2 PHE A 70 5.712 -10.089 5.616 1.00 43.22 C ATOM 1114 CZ PHE A 70 4.572 -9.878 4.865 1.00 43.11 C ATOM 0 H PHE A 70 8.689 -4.976 6.729 1.00 14.42 H new ATOM 0 HA PHE A 70 6.062 -4.903 5.732 1.00 34.23 H new ATOM 0 HB2 PHE A 70 7.650 -6.267 4.621 1.00 33.00 H new ATOM 0 HB3 PHE A 70 8.172 -7.037 6.106 1.00 33.00 H new ATOM 0 HD1 PHE A 70 4.988 -6.609 4.167 1.00 51.23 H new ATOM 0 HD2 PHE A 70 7.479 -9.216 6.434 1.00 21.33 H new ATOM 0 HE1 PHE A 70 3.425 -8.459 3.754 1.00 1.52 H new ATOM 0 HE2 PHE A 70 5.917 -11.068 6.024 1.00 43.22 H new ATOM 0 HZ PHE A 70 3.884 -10.691 4.686 1.00 43.11 H new ATOM 1124 N ASN A 71 6.462 -6.705 8.484 1.00 73.33 N ATOM 1125 CA ASN A 71 5.748 -7.288 9.614 1.00 23.32 C ATOM 1126 C ASN A 71 5.017 -6.211 10.410 1.00 61.41 C ATOM 1127 O ASN A 71 3.886 -6.411 10.852 1.00 15.12 O ATOM 1128 CB ASN A 71 6.721 -8.039 10.526 1.00 61.45 C ATOM 1129 CG ASN A 71 6.753 -9.528 10.236 1.00 15.31 C ATOM 1130 OD1 ASN A 71 6.092 -10.317 10.912 1.00 52.24 O ATOM 1131 ND2 ASN A 71 7.523 -9.918 9.228 1.00 43.04 N ATOM 0 H ASN A 71 7.474 -6.831 8.513 1.00 73.33 H new ATOM 0 HA ASN A 71 5.011 -7.989 9.223 1.00 23.32 H new ATOM 0 HB2 ASN A 71 7.722 -7.626 10.403 1.00 61.45 H new ATOM 0 HB3 ASN A 71 6.436 -7.880 11.566 1.00 61.45 H new ATOM 0 HD21 ASN A 71 7.584 -10.907 8.986 1.00 43.04 H new ATOM 0 HD22 ASN A 71 8.053 -9.229 8.695 1.00 43.04 H new ATOM 1138 N LYS A 72 5.671 -5.069 10.588 1.00 41.41 N ATOM 1139 CA LYS A 72 5.084 -3.958 11.328 1.00 2.12 C ATOM 1140 C LYS A 72 3.863 -3.404 10.601 1.00 62.01 C ATOM 1141 O LYS A 72 2.798 -3.236 11.195 1.00 72.25 O ATOM 1142 CB LYS A 72 6.119 -2.848 11.528 1.00 32.12 C ATOM 1143 CG LYS A 72 5.530 -1.560 12.077 1.00 5.13 C ATOM 1144 CD LYS A 72 4.789 -1.797 13.382 1.00 21.22 C ATOM 1145 CE LYS A 72 4.146 -0.519 13.898 1.00 21.03 C ATOM 1146 NZ LYS A 72 5.119 0.332 14.637 1.00 43.41 N ATOM 0 H LYS A 72 6.609 -4.888 10.230 1.00 41.41 H new ATOM 0 HA LYS A 72 4.767 -4.331 12.302 1.00 2.12 H new ATOM 0 HB2 LYS A 72 6.893 -3.203 12.208 1.00 32.12 H new ATOM 0 HB3 LYS A 72 6.604 -2.639 10.575 1.00 32.12 H new ATOM 0 HG2 LYS A 72 6.327 -0.834 12.237 1.00 5.13 H new ATOM 0 HG3 LYS A 72 4.848 -1.129 11.344 1.00 5.13 H new ATOM 0 HD2 LYS A 72 4.022 -2.557 13.233 1.00 21.22 H new ATOM 0 HD3 LYS A 72 5.481 -2.185 14.129 1.00 21.22 H new ATOM 0 HE2 LYS A 72 3.734 0.044 13.061 1.00 21.03 H new ATOM 0 HE3 LYS A 72 3.313 -0.771 14.554 1.00 21.03 H new ATOM 0 HZ1 LYS A 72 4.642 1.193 14.972 1.00 43.41 H new ATOM 0 HZ2 LYS A 72 5.494 -0.196 15.451 1.00 43.41 H new ATOM 0 HZ3 LYS A 72 5.902 0.594 14.004 1.00 43.41 H new ATOM 1160 N VAL A 73 4.025 -3.123 9.312 1.00 73.13 N ATOM 1161 CA VAL A 73 2.935 -2.591 8.503 1.00 53.32 C ATOM 1162 C VAL A 73 1.702 -3.484 8.585 1.00 1.05 C ATOM 1163 O VAL A 73 0.576 -3.027 8.387 1.00 60.42 O ATOM 1164 CB VAL A 73 3.351 -2.444 7.027 1.00 12.11 C ATOM 1165 CG1 VAL A 73 2.136 -2.168 6.155 1.00 51.44 C ATOM 1166 CG2 VAL A 73 4.389 -1.343 6.874 1.00 41.22 C ATOM 0 H VAL A 73 4.901 -3.255 8.806 1.00 73.13 H new ATOM 0 HA VAL A 73 2.695 -1.607 8.905 1.00 53.32 H new ATOM 0 HB VAL A 73 3.798 -3.382 6.698 1.00 12.11 H new ATOM 0 HG11 VAL A 73 2.449 -2.067 5.116 1.00 51.44 H new ATOM 0 HG12 VAL A 73 1.430 -2.994 6.243 1.00 51.44 H new ATOM 0 HG13 VAL A 73 1.657 -1.245 6.481 1.00 51.44 H new ATOM 0 HG21 VAL A 73 4.672 -1.253 5.825 1.00 41.22 H new ATOM 0 HG22 VAL A 73 3.970 -0.398 7.220 1.00 41.22 H new ATOM 0 HG23 VAL A 73 5.270 -1.588 7.467 1.00 41.22 H new ATOM 1176 N LYS A 74 1.922 -4.761 8.881 1.00 41.34 N ATOM 1177 CA LYS A 74 0.830 -5.720 8.992 1.00 72.01 C ATOM 1178 C LYS A 74 -0.094 -5.361 10.152 1.00 43.25 C ATOM 1179 O LYS A 74 -1.191 -5.904 10.274 1.00 34.42 O ATOM 1180 CB LYS A 74 1.383 -7.134 9.186 1.00 50.34 C ATOM 1181 CG LYS A 74 2.278 -7.597 8.050 1.00 62.54 C ATOM 1182 CD LYS A 74 1.941 -9.014 7.616 1.00 34.23 C ATOM 1183 CE LYS A 74 0.999 -9.022 6.422 1.00 72.30 C ATOM 1184 NZ LYS A 74 0.777 -10.399 5.900 1.00 34.22 N ATOM 0 H LYS A 74 2.848 -5.155 9.048 1.00 41.34 H new ATOM 0 HA LYS A 74 0.254 -5.685 8.067 1.00 72.01 H new ATOM 0 HB2 LYS A 74 1.946 -7.170 10.119 1.00 50.34 H new ATOM 0 HB3 LYS A 74 0.550 -7.830 9.289 1.00 50.34 H new ATOM 0 HG2 LYS A 74 2.170 -6.921 7.202 1.00 62.54 H new ATOM 0 HG3 LYS A 74 3.321 -7.550 8.365 1.00 62.54 H new ATOM 0 HD2 LYS A 74 2.858 -9.545 7.361 1.00 34.23 H new ATOM 0 HD3 LYS A 74 1.482 -9.551 8.446 1.00 34.23 H new ATOM 0 HE2 LYS A 74 0.043 -8.585 6.711 1.00 72.30 H new ATOM 0 HE3 LYS A 74 1.410 -8.396 5.631 1.00 72.30 H new ATOM 0 HZ1 LYS A 74 -0.005 -10.389 5.215 1.00 34.22 H new ATOM 0 HZ2 LYS A 74 1.642 -10.737 5.432 1.00 34.22 H new ATOM 0 HZ3 LYS A 74 0.539 -11.035 6.688 1.00 34.22 H new ATOM 1198 N TRP A 75 0.357 -4.442 10.998 1.00 23.30 N ATOM 1199 CA TRP A 75 -0.430 -4.010 12.147 1.00 12.21 C ATOM 1200 C TRP A 75 -1.652 -3.213 11.701 1.00 25.43 C ATOM 1201 O TRP A 75 -2.620 -3.074 12.449 1.00 41.22 O ATOM 1202 CB TRP A 75 0.428 -3.166 13.091 1.00 51.33 C ATOM 1203 CG TRP A 75 0.607 -1.752 12.626 1.00 21.01 C ATOM 1204 CD1 TRP A 75 0.820 -1.331 11.344 1.00 21.43 C ATOM 1205 CD2 TRP A 75 0.591 -0.574 13.440 1.00 53.05 C ATOM 1206 NE1 TRP A 75 0.937 0.037 11.312 1.00 2.30 N ATOM 1207 CE2 TRP A 75 0.799 0.526 12.584 1.00 23.23 C ATOM 1208 CE3 TRP A 75 0.418 -0.341 14.806 1.00 1.25 C ATOM 1209 CZ2 TRP A 75 0.841 1.836 13.054 1.00 72.14 C ATOM 1210 CZ3 TRP A 75 0.460 0.960 15.271 1.00 52.13 C ATOM 1211 CH2 TRP A 75 0.669 2.035 14.397 1.00 51.15 C ATOM 0 H TRP A 75 1.263 -3.982 10.910 1.00 23.30 H new ATOM 0 HA TRP A 75 -0.772 -4.899 12.676 1.00 12.21 H new ATOM 0 HB2 TRP A 75 -0.030 -3.161 14.080 1.00 51.33 H new ATOM 0 HB3 TRP A 75 1.407 -3.633 13.196 1.00 51.33 H new ATOM 0 HD1 TRP A 75 0.887 -1.979 10.482 1.00 21.43 H new ATOM 0 HE1 TRP A 75 1.100 0.598 10.476 1.00 2.30 H new ATOM 0 HE3 TRP A 75 0.254 -1.163 15.487 1.00 1.25 H new ATOM 0 HZ2 TRP A 75 1.004 2.666 12.382 1.00 72.14 H new ATOM 0 HZ3 TRP A 75 0.330 1.151 16.326 1.00 52.13 H new ATOM 0 HH2 TRP A 75 0.695 3.040 14.791 1.00 51.15 H new ATOM 1222 N TYR A 76 -1.600 -2.693 10.480 1.00 22.41 N ATOM 1223 CA TYR A 76 -2.702 -1.909 9.936 1.00 1.11 C ATOM 1224 C TYR A 76 -3.366 -2.637 8.771 1.00 2.33 C ATOM 1225 O TYR A 76 -4.588 -2.789 8.734 1.00 44.43 O ATOM 1226 CB TYR A 76 -2.202 -0.538 9.477 1.00 22.11 C ATOM 1227 CG TYR A 76 -2.533 0.580 10.439 1.00 51.50 C ATOM 1228 CD1 TYR A 76 -3.777 0.649 11.054 1.00 41.20 C ATOM 1229 CD2 TYR A 76 -1.601 1.568 10.733 1.00 13.44 C ATOM 1230 CE1 TYR A 76 -4.084 1.670 11.933 1.00 61.23 C ATOM 1231 CE2 TYR A 76 -1.899 2.592 11.612 1.00 10.01 C ATOM 1232 CZ TYR A 76 -3.142 2.639 12.209 1.00 63.33 C ATOM 1233 OH TYR A 76 -3.443 3.656 13.085 1.00 52.33 O ATOM 0 H TYR A 76 -0.806 -2.800 9.848 1.00 22.41 H new ATOM 0 HA TYR A 76 -3.442 -1.773 10.725 1.00 1.11 H new ATOM 0 HB2 TYR A 76 -1.121 -0.581 9.341 1.00 22.11 H new ATOM 0 HB3 TYR A 76 -2.636 -0.309 8.504 1.00 22.11 H new ATOM 0 HD1 TYR A 76 -4.517 -0.109 10.841 1.00 41.20 H new ATOM 0 HD2 TYR A 76 -0.627 1.535 10.267 1.00 13.44 H new ATOM 0 HE1 TYR A 76 -5.056 1.709 12.401 1.00 61.23 H new ATOM 0 HE2 TYR A 76 -1.163 3.351 11.830 1.00 10.01 H new ATOM 0 HH TYR A 76 -2.618 4.110 13.356 1.00 52.33 H new ATOM 1243 N LEU A 77 -2.552 -3.086 7.822 1.00 52.40 N ATOM 1244 CA LEU A 77 -3.059 -3.799 6.655 1.00 64.04 C ATOM 1245 C LEU A 77 -3.516 -5.205 7.031 1.00 2.44 C ATOM 1246 O LEU A 77 -4.173 -5.886 6.246 1.00 64.33 O ATOM 1247 CB LEU A 77 -1.981 -3.874 5.571 1.00 33.12 C ATOM 1248 CG LEU A 77 -1.594 -2.548 4.916 1.00 14.44 C ATOM 1249 CD1 LEU A 77 -0.529 -2.768 3.853 1.00 13.34 C ATOM 1250 CD2 LEU A 77 -2.819 -1.872 4.316 1.00 63.35 C ATOM 0 H LEU A 77 -1.539 -2.969 7.838 1.00 52.40 H new ATOM 0 HA LEU A 77 -3.917 -3.249 6.269 1.00 64.04 H new ATOM 0 HB2 LEU A 77 -1.085 -4.316 6.008 1.00 33.12 H new ATOM 0 HB3 LEU A 77 -2.324 -4.554 4.792 1.00 33.12 H new ATOM 0 HG LEU A 77 -1.181 -1.893 5.683 1.00 14.44 H new ATOM 0 HD11 LEU A 77 -0.266 -1.813 3.398 1.00 13.34 H new ATOM 0 HD12 LEU A 77 0.357 -3.208 4.311 1.00 13.34 H new ATOM 0 HD13 LEU A 77 -0.913 -3.441 3.087 1.00 13.34 H new ATOM 0 HD21 LEU A 77 -2.525 -0.930 3.854 1.00 63.35 H new ATOM 0 HD22 LEU A 77 -3.261 -2.523 3.562 1.00 63.35 H new ATOM 0 HD23 LEU A 77 -3.549 -1.679 5.102 1.00 63.35 H new ATOM 1262 N GLY A 78 -3.165 -5.631 8.241 1.00 71.30 N ATOM 1263 CA GLY A 78 -3.550 -6.953 8.702 1.00 44.51 C ATOM 1264 C GLY A 78 -2.855 -8.059 7.934 1.00 63.40 C ATOM 1265 O GLY A 78 -2.448 -7.869 6.788 1.00 12.53 O ATOM 0 H GLY A 78 -2.622 -5.085 8.910 1.00 71.30 H new ATOM 0 HA2 GLY A 78 -3.315 -7.048 9.762 1.00 44.51 H new ATOM 0 HA3 GLY A 78 -4.629 -7.069 8.603 1.00 44.51 H new ATOM 1269 N ALA A 79 -2.717 -9.220 8.567 1.00 45.11 N ATOM 1270 CA ALA A 79 -2.066 -10.361 7.936 1.00 72.53 C ATOM 1271 C ALA A 79 -2.977 -11.008 6.898 1.00 54.54 C ATOM 1272 O ALA A 79 -2.506 -11.610 5.933 1.00 41.42 O ATOM 1273 CB ALA A 79 -1.654 -11.382 8.987 1.00 41.54 C ATOM 0 H ALA A 79 -3.047 -9.395 9.516 1.00 45.11 H new ATOM 0 HA ALA A 79 -1.173 -10.001 7.425 1.00 72.53 H new ATOM 0 HB1 ALA A 79 -1.169 -12.229 8.501 1.00 41.54 H new ATOM 0 HB2 ALA A 79 -0.960 -10.921 9.690 1.00 41.54 H new ATOM 0 HB3 ALA A 79 -2.537 -11.729 9.523 1.00 41.54 H new ATOM 1279 N ARG A 80 -4.284 -10.879 7.102 1.00 33.13 N ATOM 1280 CA ARG A 80 -5.261 -11.452 6.185 1.00 74.43 C ATOM 1281 C ARG A 80 -4.999 -10.992 4.754 1.00 41.12 C ATOM 1282 O ARG A 80 -5.099 -11.777 3.810 1.00 35.12 O ATOM 1283 CB ARG A 80 -6.679 -11.061 6.606 1.00 71.12 C ATOM 1284 CG ARG A 80 -6.883 -9.561 6.738 1.00 40.33 C ATOM 1285 CD ARG A 80 -7.709 -9.217 7.967 1.00 2.34 C ATOM 1286 NE ARG A 80 -8.952 -9.980 8.023 1.00 75.34 N ATOM 1287 CZ ARG A 80 -9.799 -9.933 9.045 1.00 22.54 C ATOM 1288 NH1 ARG A 80 -9.537 -9.163 10.092 1.00 23.33 N ATOM 1289 NH2 ARG A 80 -10.910 -10.658 9.022 1.00 14.30 N ATOM 0 H ARG A 80 -4.691 -10.382 7.895 1.00 33.13 H new ATOM 0 HA ARG A 80 -5.164 -12.537 6.223 1.00 74.43 H new ATOM 0 HB2 ARG A 80 -7.387 -11.453 5.875 1.00 71.12 H new ATOM 0 HB3 ARG A 80 -6.910 -11.536 7.560 1.00 71.12 H new ATOM 0 HG2 ARG A 80 -5.914 -9.065 6.799 1.00 40.33 H new ATOM 0 HG3 ARG A 80 -7.380 -9.181 5.846 1.00 40.33 H new ATOM 0 HD2 ARG A 80 -7.122 -9.414 8.864 1.00 2.34 H new ATOM 0 HD3 ARG A 80 -7.938 -8.151 7.963 1.00 2.34 H new ATOM 0 HE ARG A 80 -9.183 -10.583 7.233 1.00 75.34 H new ATOM 0 HH11 ARG A 80 -8.683 -8.605 10.114 1.00 23.33 H new ATOM 0 HH12 ARG A 80 -10.189 -9.129 10.876 1.00 23.33 H new ATOM 0 HH21 ARG A 80 -11.115 -11.252 8.219 1.00 14.30 H new ATOM 0 HH22 ARG A 80 -11.560 -10.621 9.808 1.00 14.30 H new ATOM 1303 N CYS A 81 -4.663 -9.716 4.601 1.00 52.12 N ATOM 1304 CA CYS A 81 -4.388 -9.150 3.285 1.00 64.21 C ATOM 1305 C CYS A 81 -2.899 -9.227 2.961 1.00 72.32 C ATOM 1306 O CYS A 81 -2.053 -8.921 3.802 1.00 52.24 O ATOM 1307 CB CYS A 81 -4.861 -7.697 3.222 1.00 30.30 C ATOM 1308 SG CYS A 81 -6.530 -7.436 3.867 1.00 61.20 S ATOM 0 H CYS A 81 -4.574 -9.054 5.372 1.00 52.12 H new ATOM 0 HA CYS A 81 -4.934 -9.734 2.544 1.00 64.21 H new ATOM 0 HB2 CYS A 81 -4.164 -7.075 3.784 1.00 30.30 H new ATOM 0 HB3 CYS A 81 -4.826 -7.359 2.186 1.00 30.30 H new ATOM 0 HG CYS A 81 -6.826 -6.172 3.806 1.00 61.20 H new ATOM 1314 N HIS A 82 -2.586 -9.640 1.737 1.00 60.33 N ATOM 1315 CA HIS A 82 -1.199 -9.759 1.302 1.00 61.15 C ATOM 1316 C HIS A 82 -0.586 -8.383 1.059 1.00 60.12 C ATOM 1317 O HIS A 82 -1.180 -7.538 0.388 1.00 62.41 O ATOM 1318 CB HIS A 82 -1.112 -10.601 0.028 1.00 11.21 C ATOM 1319 CG HIS A 82 0.285 -11.005 -0.328 1.00 62.44 C ATOM 1320 ND1 HIS A 82 0.818 -12.236 -0.006 1.00 0.54 N ATOM 1321 CD2 HIS A 82 1.261 -10.335 -0.985 1.00 74.34 C ATOM 1322 CE1 HIS A 82 2.061 -12.304 -0.447 1.00 42.11 C ATOM 1323 NE2 HIS A 82 2.354 -11.164 -1.046 1.00 1.31 N ATOM 0 H HIS A 82 -3.274 -9.898 1.029 1.00 60.33 H new ATOM 0 HA HIS A 82 -0.637 -10.253 2.094 1.00 61.15 H new ATOM 0 HB2 HIS A 82 -1.720 -11.497 0.152 1.00 11.21 H new ATOM 0 HB3 HIS A 82 -1.541 -10.037 -0.800 1.00 11.21 H new ATOM 0 HD2 HIS A 82 1.193 -9.335 -1.386 1.00 74.34 H new ATOM 0 HE1 HIS A 82 2.725 -13.148 -0.337 1.00 42.11 H new ATOM 0 HE2 HIS A 82 3.247 -10.936 -1.483 1.00 1.31 H new ATOM 1331 N ILE A 83 0.604 -8.165 1.609 1.00 34.31 N ATOM 1332 CA ILE A 83 1.296 -6.892 1.452 1.00 60.34 C ATOM 1333 C ILE A 83 2.553 -7.051 0.603 1.00 73.44 C ATOM 1334 O ILE A 83 3.245 -8.065 0.686 1.00 61.21 O ATOM 1335 CB ILE A 83 1.684 -6.290 2.815 1.00 60.10 C ATOM 1336 CG1 ILE A 83 0.591 -6.568 3.849 1.00 24.14 C ATOM 1337 CG2 ILE A 83 1.928 -4.794 2.683 1.00 31.21 C ATOM 1338 CD1 ILE A 83 0.859 -5.934 5.196 1.00 11.32 C ATOM 0 H ILE A 83 1.109 -8.854 2.167 1.00 34.31 H new ATOM 0 HA ILE A 83 0.604 -6.216 0.950 1.00 60.34 H new ATOM 0 HB ILE A 83 2.607 -6.760 3.154 1.00 60.10 H new ATOM 0 HG12 ILE A 83 -0.361 -6.201 3.467 1.00 24.14 H new ATOM 0 HG13 ILE A 83 0.489 -7.646 3.977 1.00 24.14 H new ATOM 0 HG21 ILE A 83 2.201 -4.383 3.655 1.00 31.21 H new ATOM 0 HG22 ILE A 83 2.737 -4.618 1.974 1.00 31.21 H new ATOM 0 HG23 ILE A 83 1.020 -4.307 2.325 1.00 31.21 H new ATOM 0 HD11 ILE A 83 0.044 -6.173 5.879 1.00 11.32 H new ATOM 0 HD12 ILE A 83 1.795 -6.319 5.600 1.00 11.32 H new ATOM 0 HD13 ILE A 83 0.931 -4.852 5.081 1.00 11.32 H new ATOM 1350 N GLU A 84 2.841 -6.042 -0.213 1.00 3.34 N ATOM 1351 CA GLU A 84 4.016 -6.070 -1.076 1.00 51.22 C ATOM 1352 C GLU A 84 4.556 -4.661 -1.306 1.00 24.34 C ATOM 1353 O GLU A 84 3.874 -3.671 -1.042 1.00 73.13 O ATOM 1354 CB GLU A 84 3.675 -6.722 -2.418 1.00 14.33 C ATOM 1355 CG GLU A 84 4.765 -7.641 -2.943 1.00 34.04 C ATOM 1356 CD GLU A 84 4.312 -9.085 -3.042 1.00 41.11 C ATOM 1357 OE1 GLU A 84 3.353 -9.355 -3.796 1.00 2.25 O ATOM 1358 OE2 GLU A 84 4.916 -9.944 -2.367 1.00 71.40 O ATOM 0 H GLU A 84 2.277 -5.196 -0.295 1.00 3.34 H new ATOM 0 HA GLU A 84 4.786 -6.659 -0.579 1.00 51.22 H new ATOM 0 HB2 GLU A 84 2.752 -7.291 -2.311 1.00 14.33 H new ATOM 0 HB3 GLU A 84 3.485 -5.941 -3.154 1.00 14.33 H new ATOM 0 HG2 GLU A 84 5.084 -7.296 -3.926 1.00 34.04 H new ATOM 0 HG3 GLU A 84 5.633 -7.581 -2.287 1.00 34.04 H new ATOM 1365 N LYS A 85 5.788 -4.580 -1.798 1.00 10.54 N ATOM 1366 CA LYS A 85 6.422 -3.294 -2.064 1.00 2.11 C ATOM 1367 C LYS A 85 5.971 -2.733 -3.408 1.00 54.44 C ATOM 1368 O LYS A 85 5.958 -3.441 -4.415 1.00 1.14 O ATOM 1369 CB LYS A 85 7.945 -3.440 -2.046 1.00 4.11 C ATOM 1370 CG LYS A 85 8.472 -4.172 -0.824 1.00 32.23 C ATOM 1371 CD LYS A 85 9.975 -4.003 -0.677 1.00 32.22 C ATOM 1372 CE LYS A 85 10.708 -5.317 -0.902 1.00 50.44 C ATOM 1373 NZ LYS A 85 12.107 -5.099 -1.364 1.00 11.31 N ATOM 0 H LYS A 85 6.367 -5.390 -2.021 1.00 10.54 H new ATOM 0 HA LYS A 85 6.120 -2.599 -1.280 1.00 2.11 H new ATOM 0 HB2 LYS A 85 8.261 -3.973 -2.943 1.00 4.11 H new ATOM 0 HB3 LYS A 85 8.397 -2.449 -2.088 1.00 4.11 H new ATOM 0 HG2 LYS A 85 7.974 -3.796 0.069 1.00 32.23 H new ATOM 0 HG3 LYS A 85 8.230 -5.232 -0.901 1.00 32.23 H new ATOM 0 HD2 LYS A 85 10.330 -3.260 -1.391 1.00 32.22 H new ATOM 0 HD3 LYS A 85 10.204 -3.623 0.319 1.00 32.22 H new ATOM 0 HE2 LYS A 85 10.717 -5.891 0.024 1.00 50.44 H new ATOM 0 HE3 LYS A 85 10.170 -5.911 -1.641 1.00 50.44 H new ATOM 0 HZ1 LYS A 85 12.573 -6.018 -1.506 1.00 11.31 H new ATOM 0 HZ2 LYS A 85 12.098 -4.573 -2.261 1.00 11.31 H new ATOM 0 HZ3 LYS A 85 12.628 -4.554 -0.648 1.00 11.31 H new ATOM 1387 N ALA A 86 5.602 -1.456 -3.418 1.00 11.23 N ATOM 1388 CA ALA A 86 5.153 -0.799 -4.639 1.00 63.13 C ATOM 1389 C ALA A 86 6.333 -0.235 -5.424 1.00 73.02 C ATOM 1390 O ALA A 86 7.404 0.007 -4.868 1.00 20.54 O ATOM 1391 CB ALA A 86 4.159 0.305 -4.311 1.00 22.15 C ATOM 0 H ALA A 86 5.605 -0.856 -2.593 1.00 11.23 H new ATOM 0 HA ALA A 86 4.658 -1.544 -5.262 1.00 63.13 H new ATOM 0 HB1 ALA A 86 3.833 0.786 -5.233 1.00 22.15 H new ATOM 0 HB2 ALA A 86 3.296 -0.122 -3.800 1.00 22.15 H new ATOM 0 HB3 ALA A 86 4.635 1.043 -3.665 1.00 22.15 H new ATOM 1397 N LYS A 87 6.130 -0.028 -6.721 1.00 15.42 N ATOM 1398 CA LYS A 87 7.176 0.509 -7.583 1.00 75.35 C ATOM 1399 C LYS A 87 6.600 1.514 -8.576 1.00 70.31 C ATOM 1400 O LYS A 87 5.486 1.345 -9.070 1.00 12.04 O ATOM 1401 CB LYS A 87 7.875 -0.625 -8.337 1.00 11.01 C ATOM 1402 CG LYS A 87 7.042 -1.210 -9.464 1.00 64.43 C ATOM 1403 CD LYS A 87 7.063 -2.730 -9.442 1.00 14.43 C ATOM 1404 CE LYS A 87 5.741 -3.297 -8.949 1.00 35.34 C ATOM 1405 NZ LYS A 87 5.675 -4.776 -9.114 1.00 45.25 N ATOM 0 H LYS A 87 5.250 -0.224 -7.198 1.00 15.42 H new ATOM 0 HA LYS A 87 7.903 1.022 -6.954 1.00 75.35 H new ATOM 0 HB2 LYS A 87 8.814 -0.253 -8.746 1.00 11.01 H new ATOM 0 HB3 LYS A 87 8.126 -1.418 -7.632 1.00 11.01 H new ATOM 0 HG2 LYS A 87 6.014 -0.858 -9.378 1.00 64.43 H new ATOM 0 HG3 LYS A 87 7.422 -0.854 -10.421 1.00 64.43 H new ATOM 0 HD2 LYS A 87 7.271 -3.107 -10.443 1.00 14.43 H new ATOM 0 HD3 LYS A 87 7.871 -3.075 -8.797 1.00 14.43 H new ATOM 0 HE2 LYS A 87 5.606 -3.043 -7.898 1.00 35.34 H new ATOM 0 HE3 LYS A 87 4.920 -2.834 -9.497 1.00 35.34 H new ATOM 0 HZ1 LYS A 87 4.759 -5.124 -8.766 1.00 45.25 H new ATOM 0 HZ2 LYS A 87 5.778 -5.018 -10.120 1.00 45.25 H new ATOM 0 HZ3 LYS A 87 6.442 -5.220 -8.571 1.00 45.25 H new ATOM 1419 N GLY A 88 7.368 2.560 -8.866 1.00 24.45 N ATOM 1420 CA GLY A 88 6.918 3.575 -9.799 1.00 40.31 C ATOM 1421 C GLY A 88 6.630 4.900 -9.121 1.00 31.35 C ATOM 1422 O GLY A 88 7.050 5.130 -7.986 1.00 20.31 O ATOM 0 H GLY A 88 8.294 2.722 -8.471 1.00 24.45 H new ATOM 0 HA2 GLY A 88 7.678 3.721 -10.567 1.00 40.31 H new ATOM 0 HA3 GLY A 88 6.018 3.226 -10.304 1.00 40.31 H new ATOM 1426 N THR A 89 5.912 5.776 -9.817 1.00 30.15 N ATOM 1427 CA THR A 89 5.571 7.086 -9.276 1.00 34.52 C ATOM 1428 C THR A 89 4.124 7.122 -8.796 1.00 41.31 C ATOM 1429 O THR A 89 3.372 6.167 -8.989 1.00 53.10 O ATOM 1430 CB THR A 89 5.781 8.197 -10.321 1.00 44.20 C ATOM 1431 OG1 THR A 89 4.748 8.142 -11.310 1.00 75.13 O ATOM 1432 CG2 THR A 89 7.140 8.059 -10.992 1.00 32.04 C ATOM 0 H THR A 89 5.555 5.602 -10.757 1.00 30.15 H new ATOM 0 HA THR A 89 6.236 7.262 -8.431 1.00 34.52 H new ATOM 0 HB THR A 89 5.742 9.158 -9.809 1.00 44.20 H new ATOM 0 HG1 THR A 89 4.888 8.853 -11.970 1.00 75.13 H new ATOM 0 HG21 THR A 89 7.266 8.855 -11.726 1.00 32.04 H new ATOM 0 HG22 THR A 89 7.926 8.131 -10.240 1.00 32.04 H new ATOM 0 HG23 THR A 89 7.203 7.092 -11.491 1.00 32.04 H new ATOM 1440 N ASP A 90 3.741 8.230 -8.171 1.00 41.23 N ATOM 1441 CA ASP A 90 2.383 8.392 -7.665 1.00 50.03 C ATOM 1442 C ASP A 90 1.361 8.195 -8.780 1.00 74.22 C ATOM 1443 O ASP A 90 0.312 7.585 -8.572 1.00 64.53 O ATOM 1444 CB ASP A 90 2.211 9.776 -7.038 1.00 2.30 C ATOM 1445 CG ASP A 90 0.808 10.003 -6.510 1.00 23.53 C ATOM 1446 OD1 ASP A 90 -0.127 10.100 -7.332 1.00 11.03 O ATOM 1447 OD2 ASP A 90 0.645 10.081 -5.274 1.00 45.13 O ATOM 0 H ASP A 90 4.352 9.029 -8.003 1.00 41.23 H new ATOM 0 HA ASP A 90 2.213 7.632 -6.902 1.00 50.03 H new ATOM 0 HB2 ASP A 90 2.926 9.894 -6.224 1.00 2.30 H new ATOM 0 HB3 ASP A 90 2.445 10.539 -7.780 1.00 2.30 H new ATOM 1452 N GLN A 91 1.673 8.716 -9.962 1.00 44.31 N ATOM 1453 CA GLN A 91 0.781 8.599 -11.109 1.00 35.42 C ATOM 1454 C GLN A 91 0.656 7.146 -11.555 1.00 63.41 C ATOM 1455 O GLN A 91 -0.411 6.708 -11.983 1.00 72.22 O ATOM 1456 CB GLN A 91 1.288 9.459 -12.267 1.00 60.24 C ATOM 1457 CG GLN A 91 0.670 10.847 -12.311 1.00 74.20 C ATOM 1458 CD GLN A 91 -0.746 10.838 -12.853 1.00 50.33 C ATOM 1459 OE1 GLN A 91 -0.959 10.843 -14.066 1.00 64.32 O ATOM 1460 NE2 GLN A 91 -1.724 10.826 -11.955 1.00 71.43 N ATOM 0 H GLN A 91 2.537 9.224 -10.150 1.00 44.31 H new ATOM 0 HA GLN A 91 -0.205 8.954 -10.808 1.00 35.42 H new ATOM 0 HB2 GLN A 91 2.371 9.555 -12.190 1.00 60.24 H new ATOM 0 HB3 GLN A 91 1.079 8.948 -13.207 1.00 60.24 H new ATOM 0 HG2 GLN A 91 0.668 11.272 -11.307 1.00 74.20 H new ATOM 0 HG3 GLN A 91 1.288 11.496 -12.931 1.00 74.20 H new ATOM 0 HE21 GLN A 91 -1.502 10.822 -10.959 1.00 71.43 H new ATOM 0 HE22 GLN A 91 -2.697 10.821 -12.261 1.00 71.43 H new ATOM 1469 N GLN A 92 1.755 6.404 -11.452 1.00 55.12 N ATOM 1470 CA GLN A 92 1.768 5.000 -11.847 1.00 13.44 C ATOM 1471 C GLN A 92 0.877 4.169 -10.929 1.00 61.14 C ATOM 1472 O GLN A 92 0.156 3.283 -11.385 1.00 60.53 O ATOM 1473 CB GLN A 92 3.197 4.455 -11.821 1.00 54.13 C ATOM 1474 CG GLN A 92 3.897 4.520 -13.169 1.00 53.41 C ATOM 1475 CD GLN A 92 4.697 3.269 -13.472 1.00 74.14 C ATOM 1476 OE1 GLN A 92 4.149 2.261 -13.921 1.00 13.43 O ATOM 1477 NE2 GLN A 92 6.001 3.326 -13.229 1.00 52.11 N ATOM 0 H GLN A 92 2.647 6.751 -11.099 1.00 55.12 H new ATOM 0 HA GLN A 92 1.378 4.930 -12.863 1.00 13.44 H new ATOM 0 HB2 GLN A 92 3.779 5.018 -11.091 1.00 54.13 H new ATOM 0 HB3 GLN A 92 3.176 3.420 -11.481 1.00 54.13 H new ATOM 0 HG2 GLN A 92 3.155 4.671 -13.953 1.00 53.41 H new ATOM 0 HG3 GLN A 92 4.561 5.385 -13.188 1.00 53.41 H new ATOM 0 HE21 GLN A 92 6.414 4.181 -12.857 1.00 52.11 H new ATOM 0 HE22 GLN A 92 6.590 2.514 -13.414 1.00 52.11 H new ATOM 1486 N ASN A 93 0.933 4.461 -9.634 1.00 43.21 N ATOM 1487 CA ASN A 93 0.132 3.739 -8.652 1.00 41.42 C ATOM 1488 C ASN A 93 -1.313 4.229 -8.664 1.00 20.43 C ATOM 1489 O ASN A 93 -2.249 3.439 -8.534 1.00 62.01 O ATOM 1490 CB ASN A 93 0.728 3.908 -7.253 1.00 43.23 C ATOM 1491 CG ASN A 93 1.974 3.067 -7.050 1.00 54.02 C ATOM 1492 OD1 ASN A 93 2.048 2.262 -6.122 1.00 32.02 O ATOM 1493 ND2 ASN A 93 2.960 3.251 -7.920 1.00 72.33 N ATOM 0 H ASN A 93 1.525 5.193 -9.240 1.00 43.21 H new ATOM 0 HA ASN A 93 0.141 2.682 -8.918 1.00 41.42 H new ATOM 0 HB2 ASN A 93 0.971 4.958 -7.089 1.00 43.23 H new ATOM 0 HB3 ASN A 93 -0.018 3.633 -6.507 1.00 43.23 H new ATOM 0 HD21 ASN A 93 3.823 2.714 -7.834 1.00 72.33 H new ATOM 0 HD22 ASN A 93 2.855 3.930 -8.674 1.00 72.33 H new ATOM 1500 N LYS A 94 -1.488 5.536 -8.820 1.00 42.45 N ATOM 1501 CA LYS A 94 -2.818 6.133 -8.851 1.00 70.32 C ATOM 1502 C LYS A 94 -3.631 5.590 -10.022 1.00 62.51 C ATOM 1503 O LYS A 94 -4.787 5.202 -9.859 1.00 71.40 O ATOM 1504 CB LYS A 94 -2.714 7.656 -8.952 1.00 12.21 C ATOM 1505 CG LYS A 94 -4.019 8.376 -8.658 1.00 33.52 C ATOM 1506 CD LYS A 94 -4.325 9.428 -9.710 1.00 0.52 C ATOM 1507 CE LYS A 94 -5.506 10.297 -9.303 1.00 25.24 C ATOM 1508 NZ LYS A 94 -5.270 11.734 -9.614 1.00 34.11 N ATOM 0 H LYS A 94 -0.724 6.204 -8.927 1.00 42.45 H new ATOM 0 HA LYS A 94 -3.328 5.870 -7.924 1.00 70.32 H new ATOM 0 HB2 LYS A 94 -1.951 8.006 -8.257 1.00 12.21 H new ATOM 0 HB3 LYS A 94 -2.379 7.923 -9.954 1.00 12.21 H new ATOM 0 HG2 LYS A 94 -4.833 7.653 -8.618 1.00 33.52 H new ATOM 0 HG3 LYS A 94 -3.962 8.847 -7.677 1.00 33.52 H new ATOM 0 HD2 LYS A 94 -3.447 10.055 -9.865 1.00 0.52 H new ATOM 0 HD3 LYS A 94 -4.541 8.941 -10.661 1.00 0.52 H new ATOM 0 HE2 LYS A 94 -6.403 9.956 -9.820 1.00 25.24 H new ATOM 0 HE3 LYS A 94 -5.691 10.182 -8.235 1.00 25.24 H new ATOM 0 HZ1 LYS A 94 -6.097 12.293 -9.322 1.00 34.11 H new ATOM 0 HZ2 LYS A 94 -4.429 12.067 -9.101 1.00 34.11 H new ATOM 0 HZ3 LYS A 94 -5.119 11.848 -10.637 1.00 34.11 H new ATOM 1522 N GLU A 95 -3.017 5.564 -11.201 1.00 74.22 N ATOM 1523 CA GLU A 95 -3.685 5.067 -12.398 1.00 54.14 C ATOM 1524 C GLU A 95 -3.861 3.552 -12.335 1.00 3.51 C ATOM 1525 O GLU A 95 -4.865 3.013 -12.800 1.00 61.20 O ATOM 1526 CB GLU A 95 -2.889 5.447 -13.649 1.00 13.34 C ATOM 1527 CG GLU A 95 -3.156 6.862 -14.133 1.00 55.43 C ATOM 1528 CD GLU A 95 -2.779 7.062 -15.588 1.00 61.33 C ATOM 1529 OE1 GLU A 95 -3.617 6.762 -16.464 1.00 51.24 O ATOM 1530 OE2 GLU A 95 -1.646 7.517 -15.851 1.00 31.51 O ATOM 0 H GLU A 95 -2.059 5.881 -11.353 1.00 74.22 H new ATOM 0 HA GLU A 95 -4.671 5.528 -12.449 1.00 54.14 H new ATOM 0 HB2 GLU A 95 -1.825 5.338 -13.439 1.00 13.34 H new ATOM 0 HB3 GLU A 95 -3.129 4.747 -14.449 1.00 13.34 H new ATOM 0 HG2 GLU A 95 -4.213 7.094 -14.000 1.00 55.43 H new ATOM 0 HG3 GLU A 95 -2.595 7.565 -13.516 1.00 55.43 H new ATOM 1537 N TYR A 96 -2.877 2.873 -11.757 1.00 23.04 N ATOM 1538 CA TYR A 96 -2.920 1.421 -11.634 1.00 63.34 C ATOM 1539 C TYR A 96 -4.110 0.980 -10.788 1.00 55.14 C ATOM 1540 O TYR A 96 -4.864 0.086 -11.175 1.00 23.41 O ATOM 1541 CB TYR A 96 -1.621 0.901 -11.016 1.00 44.21 C ATOM 1542 CG TYR A 96 -1.573 -0.604 -10.883 1.00 32.15 C ATOM 1543 CD1 TYR A 96 -1.218 -1.406 -11.960 1.00 24.22 C ATOM 1544 CD2 TYR A 96 -1.883 -1.224 -9.678 1.00 71.33 C ATOM 1545 CE1 TYR A 96 -1.174 -2.782 -11.842 1.00 43.12 C ATOM 1546 CE2 TYR A 96 -1.840 -2.599 -9.551 1.00 75.32 C ATOM 1547 CZ TYR A 96 -1.486 -3.374 -10.636 1.00 43.30 C ATOM 1548 OH TYR A 96 -1.442 -4.744 -10.515 1.00 2.35 O ATOM 0 H TYR A 96 -2.040 3.305 -11.366 1.00 23.04 H new ATOM 0 HA TYR A 96 -3.033 1.001 -12.634 1.00 63.34 H new ATOM 0 HB2 TYR A 96 -0.781 1.230 -11.627 1.00 44.21 H new ATOM 0 HB3 TYR A 96 -1.493 1.349 -10.030 1.00 44.21 H new ATOM 0 HD1 TYR A 96 -0.972 -0.946 -12.906 1.00 24.22 H new ATOM 0 HD2 TYR A 96 -2.162 -0.621 -8.827 1.00 71.33 H new ATOM 0 HE1 TYR A 96 -0.897 -3.391 -12.690 1.00 43.12 H new ATOM 0 HE2 TYR A 96 -2.082 -3.065 -8.607 1.00 75.32 H new ATOM 0 HH TYR A 96 -1.688 -5.000 -9.602 1.00 2.35 H new ATOM 1558 N CYS A 97 -4.274 1.615 -9.633 1.00 62.12 N ATOM 1559 CA CYS A 97 -5.373 1.290 -8.731 1.00 23.33 C ATOM 1560 C CYS A 97 -6.719 1.591 -9.382 1.00 65.32 C ATOM 1561 O CYS A 97 -7.700 0.882 -9.159 1.00 62.33 O ATOM 1562 CB CYS A 97 -5.237 2.075 -7.425 1.00 74.32 C ATOM 1563 SG CYS A 97 -3.822 1.585 -6.413 1.00 4.12 S ATOM 0 H CYS A 97 -3.660 2.358 -9.299 1.00 62.12 H new ATOM 0 HA CYS A 97 -5.327 0.223 -8.512 1.00 23.33 H new ATOM 0 HB2 CYS A 97 -5.153 3.136 -7.659 1.00 74.32 H new ATOM 0 HB3 CYS A 97 -6.149 1.949 -6.841 1.00 74.32 H new ATOM 0 HG CYS A 97 -2.741 2.129 -6.886 1.00 4.12 H new ATOM 1569 N SER A 98 -6.757 2.648 -10.187 1.00 33.20 N ATOM 1570 CA SER A 98 -7.984 3.046 -10.867 1.00 13.42 C ATOM 1571 C SER A 98 -8.189 2.232 -12.141 1.00 23.14 C ATOM 1572 O SER A 98 -9.268 2.244 -12.733 1.00 42.12 O ATOM 1573 CB SER A 98 -7.945 4.538 -11.203 1.00 4.42 C ATOM 1574 OG SER A 98 -7.540 4.748 -12.544 1.00 41.55 O ATOM 0 H SER A 98 -5.953 3.244 -10.384 1.00 33.20 H new ATOM 0 HA SER A 98 -8.820 2.853 -10.195 1.00 13.42 H new ATOM 0 HB2 SER A 98 -8.931 4.976 -11.045 1.00 4.42 H new ATOM 0 HB3 SER A 98 -7.258 5.048 -10.528 1.00 4.42 H new ATOM 0 HG SER A 98 -6.682 4.302 -12.700 1.00 41.55 H new ATOM 1580 N LYS A 99 -7.144 1.524 -12.557 1.00 0.23 N ATOM 1581 CA LYS A 99 -7.206 0.702 -13.759 1.00 73.12 C ATOM 1582 C LYS A 99 -8.302 -0.353 -13.641 1.00 24.13 C ATOM 1583 O LYS A 99 -8.777 -0.882 -14.645 1.00 14.41 O ATOM 1584 CB LYS A 99 -5.857 0.025 -14.010 1.00 3.23 C ATOM 1585 CG LYS A 99 -5.798 -0.751 -15.314 1.00 35.43 C ATOM 1586 CD LYS A 99 -5.489 -2.220 -15.075 1.00 12.21 C ATOM 1587 CE LYS A 99 -4.138 -2.402 -14.402 1.00 24.44 C ATOM 1588 NZ LYS A 99 -3.322 -3.454 -15.070 1.00 75.04 N ATOM 0 H LYS A 99 -6.243 1.503 -12.079 1.00 0.23 H new ATOM 0 HA LYS A 99 -7.441 1.353 -14.601 1.00 73.12 H new ATOM 0 HB2 LYS A 99 -5.074 0.784 -14.013 1.00 3.23 H new ATOM 0 HB3 LYS A 99 -5.641 -0.652 -13.184 1.00 3.23 H new ATOM 0 HG2 LYS A 99 -6.750 -0.659 -15.837 1.00 35.43 H new ATOM 0 HG3 LYS A 99 -5.035 -0.318 -15.962 1.00 35.43 H new ATOM 0 HD2 LYS A 99 -6.269 -2.661 -14.454 1.00 12.21 H new ATOM 0 HD3 LYS A 99 -5.499 -2.754 -16.025 1.00 12.21 H new ATOM 0 HE2 LYS A 99 -3.595 -1.457 -14.417 1.00 24.44 H new ATOM 0 HE3 LYS A 99 -4.287 -2.668 -13.355 1.00 24.44 H new ATOM 0 HZ1 LYS A 99 -2.409 -3.547 -14.581 1.00 75.04 H new ATOM 0 HZ2 LYS A 99 -3.829 -4.362 -15.034 1.00 75.04 H new ATOM 0 HZ3 LYS A 99 -3.158 -3.188 -16.062 1.00 75.04 H new ATOM 1602 N GLU A 100 -8.697 -0.653 -12.407 1.00 73.05 N ATOM 1603 CA GLU A 100 -9.737 -1.645 -12.160 1.00 14.44 C ATOM 1604 C GLU A 100 -11.109 -1.103 -12.551 1.00 74.41 C ATOM 1605 O GLU A 100 -12.079 -1.854 -12.653 1.00 1.10 O ATOM 1606 CB GLU A 100 -9.741 -2.055 -10.686 1.00 24.33 C ATOM 1607 CG GLU A 100 -8.608 -2.997 -10.314 1.00 4.02 C ATOM 1608 CD GLU A 100 -8.043 -2.715 -8.935 1.00 50.40 C ATOM 1609 OE1 GLU A 100 -8.596 -3.241 -7.947 1.00 74.24 O ATOM 1610 OE2 GLU A 100 -7.047 -1.967 -8.844 1.00 41.54 O ATOM 0 H GLU A 100 -8.313 -0.224 -11.565 1.00 73.05 H new ATOM 0 HA GLU A 100 -9.522 -2.520 -12.773 1.00 14.44 H new ATOM 0 HB2 GLU A 100 -9.676 -1.159 -10.068 1.00 24.33 H new ATOM 0 HB3 GLU A 100 -10.692 -2.534 -10.453 1.00 24.33 H new ATOM 0 HG2 GLU A 100 -8.968 -4.025 -10.352 1.00 4.02 H new ATOM 0 HG3 GLU A 100 -7.812 -2.911 -11.053 1.00 4.02 H new ATOM 1617 N GLY A 101 -11.183 0.206 -12.769 1.00 4.31 N ATOM 1618 CA GLY A 101 -12.439 0.827 -13.146 1.00 33.42 C ATOM 1619 C GLY A 101 -13.326 1.114 -11.950 1.00 64.11 C ATOM 1620 O GLY A 101 -14.402 1.692 -12.092 1.00 33.20 O ATOM 0 H GLY A 101 -10.394 0.848 -12.691 1.00 4.31 H new ATOM 0 HA2 GLY A 101 -12.236 1.758 -13.676 1.00 33.42 H new ATOM 0 HA3 GLY A 101 -12.969 0.175 -13.840 1.00 33.42 H new ATOM 1624 N ASN A 102 -12.873 0.708 -10.768 1.00 65.24 N ATOM 1625 CA ASN A 102 -13.633 0.923 -9.543 1.00 54.20 C ATOM 1626 C ASN A 102 -12.736 1.460 -8.433 1.00 3.44 C ATOM 1627 O ASN A 102 -11.705 0.868 -8.111 1.00 44.05 O ATOM 1628 CB ASN A 102 -14.295 -0.381 -9.093 1.00 52.12 C ATOM 1629 CG ASN A 102 -15.796 -0.240 -8.927 1.00 70.42 C ATOM 1630 OD1 ASN A 102 -16.509 0.087 -9.876 1.00 43.21 O ATOM 1631 ND2 ASN A 102 -16.283 -0.488 -7.717 1.00 30.01 N ATOM 0 H ASN A 102 -11.983 0.228 -10.633 1.00 65.24 H new ATOM 0 HA ASN A 102 -14.406 1.663 -9.750 1.00 54.20 H new ATOM 0 HB2 ASN A 102 -14.085 -1.163 -9.823 1.00 52.12 H new ATOM 0 HB3 ASN A 102 -13.856 -0.701 -8.148 1.00 52.12 H new ATOM 0 HD21 ASN A 102 -17.285 -0.410 -7.545 1.00 30.01 H new ATOM 0 HD22 ASN A 102 -15.655 -0.756 -6.960 1.00 30.01 H new ATOM 1638 N LEU A 103 -13.135 2.585 -7.849 1.00 43.21 N ATOM 1639 CA LEU A 103 -12.367 3.203 -6.773 1.00 71.03 C ATOM 1640 C LEU A 103 -13.036 2.967 -5.423 1.00 3.53 C ATOM 1641 O LEU A 103 -14.183 3.362 -5.208 1.00 62.25 O ATOM 1642 CB LEU A 103 -12.216 4.704 -7.025 1.00 44.14 C ATOM 1643 CG LEU A 103 -10.788 5.208 -7.240 1.00 61.10 C ATOM 1644 CD1 LEU A 103 -10.010 5.180 -5.934 1.00 10.45 C ATOM 1645 CD2 LEU A 103 -10.082 4.375 -8.301 1.00 14.44 C ATOM 0 H LEU A 103 -13.986 3.088 -8.102 1.00 43.21 H new ATOM 0 HA LEU A 103 -11.379 2.743 -6.754 1.00 71.03 H new ATOM 0 HB2 LEU A 103 -12.808 4.966 -7.902 1.00 44.14 H new ATOM 0 HB3 LEU A 103 -12.645 5.239 -6.178 1.00 44.14 H new ATOM 0 HG LEU A 103 -10.836 6.240 -7.589 1.00 61.10 H new ATOM 0 HD11 LEU A 103 -8.996 5.542 -6.106 1.00 10.45 H new ATOM 0 HD12 LEU A 103 -10.504 5.819 -5.202 1.00 10.45 H new ATOM 0 HD13 LEU A 103 -9.971 4.159 -5.556 1.00 10.45 H new ATOM 0 HD21 LEU A 103 -9.067 4.748 -8.441 1.00 14.44 H new ATOM 0 HD22 LEU A 103 -10.045 3.334 -7.981 1.00 14.44 H new ATOM 0 HD23 LEU A 103 -10.627 4.446 -9.242 1.00 14.44 H new ATOM 1657 N LEU A 104 -12.311 2.324 -4.514 1.00 1.40 N ATOM 1658 CA LEU A 104 -12.833 2.038 -3.182 1.00 44.10 C ATOM 1659 C LEU A 104 -12.581 3.207 -2.236 1.00 4.44 C ATOM 1660 O LEU A 104 -13.442 3.565 -1.432 1.00 43.25 O ATOM 1661 CB LEU A 104 -12.190 0.767 -2.623 1.00 50.34 C ATOM 1662 CG LEU A 104 -12.817 0.203 -1.348 1.00 1.21 C ATOM 1663 CD1 LEU A 104 -13.981 -0.715 -1.686 1.00 53.42 C ATOM 1664 CD2 LEU A 104 -11.774 -0.537 -0.523 1.00 61.24 C ATOM 0 H LEU A 104 -11.360 1.991 -4.675 1.00 1.40 H new ATOM 0 HA LEU A 104 -13.909 1.887 -3.265 1.00 44.10 H new ATOM 0 HB2 LEU A 104 -12.226 -0.003 -3.393 1.00 50.34 H new ATOM 0 HB3 LEU A 104 -11.138 0.972 -2.426 1.00 50.34 H new ATOM 0 HG LEU A 104 -13.198 1.035 -0.755 1.00 1.21 H new ATOM 0 HD11 LEU A 104 -14.414 -1.107 -0.766 1.00 53.42 H new ATOM 0 HD12 LEU A 104 -14.739 -0.155 -2.234 1.00 53.42 H new ATOM 0 HD13 LEU A 104 -13.626 -1.542 -2.300 1.00 53.42 H new ATOM 0 HD21 LEU A 104 -12.238 -0.932 0.381 1.00 61.24 H new ATOM 0 HD22 LEU A 104 -11.363 -1.359 -1.109 1.00 61.24 H new ATOM 0 HD23 LEU A 104 -10.973 0.149 -0.249 1.00 61.24 H new ATOM 1676 N MET A 105 -11.395 3.800 -2.338 1.00 35.01 N ATOM 1677 CA MET A 105 -11.032 4.932 -1.493 1.00 62.40 C ATOM 1678 C MET A 105 -10.092 5.881 -2.230 1.00 72.42 C ATOM 1679 O MET A 105 -9.158 5.445 -2.903 1.00 35.24 O ATOM 1680 CB MET A 105 -10.371 4.441 -0.203 1.00 53.12 C ATOM 1681 CG MET A 105 -9.470 5.477 0.450 1.00 72.51 C ATOM 1682 SD MET A 105 -9.465 5.357 2.249 1.00 21.30 S ATOM 1683 CE MET A 105 -8.166 4.150 2.504 1.00 11.02 C ATOM 0 H MET A 105 -10.670 3.515 -2.997 1.00 35.01 H new ATOM 0 HA MET A 105 -11.944 5.474 -1.242 1.00 62.40 H new ATOM 0 HB2 MET A 105 -11.147 4.148 0.505 1.00 53.12 H new ATOM 0 HB3 MET A 105 -9.785 3.548 -0.421 1.00 53.12 H new ATOM 0 HG2 MET A 105 -8.453 5.354 0.079 1.00 72.51 H new ATOM 0 HG3 MET A 105 -9.798 6.474 0.157 1.00 72.51 H new ATOM 0 HE1 MET A 105 -7.797 4.223 3.527 1.00 11.02 H new ATOM 0 HE2 MET A 105 -8.561 3.149 2.332 1.00 11.02 H new ATOM 0 HE3 MET A 105 -7.349 4.343 1.809 1.00 11.02 H new ATOM 1693 N GLU A 106 -10.347 7.179 -2.099 1.00 24.22 N ATOM 1694 CA GLU A 106 -9.523 8.188 -2.754 1.00 51.12 C ATOM 1695 C GLU A 106 -9.193 9.328 -1.795 1.00 12.02 C ATOM 1696 O GLU A 106 -10.041 10.172 -1.502 1.00 32.34 O ATOM 1697 CB GLU A 106 -10.238 8.738 -3.990 1.00 73.12 C ATOM 1698 CG GLU A 106 -9.314 9.454 -4.960 1.00 64.23 C ATOM 1699 CD GLU A 106 -10.023 10.535 -5.752 1.00 61.02 C ATOM 1700 OE1 GLU A 106 -10.968 11.145 -5.208 1.00 63.54 O ATOM 1701 OE2 GLU A 106 -9.634 10.771 -6.915 1.00 0.51 O ATOM 0 H GLU A 106 -11.117 7.556 -1.546 1.00 24.22 H new ATOM 0 HA GLU A 106 -8.591 7.714 -3.062 1.00 51.12 H new ATOM 0 HB2 GLU A 106 -10.730 7.916 -4.510 1.00 73.12 H new ATOM 0 HB3 GLU A 106 -11.020 9.427 -3.670 1.00 73.12 H new ATOM 0 HG2 GLU A 106 -8.486 9.898 -4.407 1.00 64.23 H new ATOM 0 HG3 GLU A 106 -8.883 8.727 -5.649 1.00 64.23 H new ATOM 1708 N CYS A 107 -7.957 9.345 -1.309 1.00 41.54 N ATOM 1709 CA CYS A 107 -7.514 10.380 -0.382 1.00 13.52 C ATOM 1710 C CYS A 107 -6.005 10.582 -0.472 1.00 52.53 C ATOM 1711 O CYS A 107 -5.320 9.889 -1.222 1.00 24.52 O ATOM 1712 CB CYS A 107 -7.907 10.013 1.050 1.00 41.10 C ATOM 1713 SG CYS A 107 -9.555 10.580 1.532 1.00 61.31 S ATOM 0 H CYS A 107 -7.244 8.654 -1.541 1.00 41.54 H new ATOM 0 HA CYS A 107 -8.004 11.314 -0.658 1.00 13.52 H new ATOM 0 HB2 CYS A 107 -7.860 8.930 1.162 1.00 41.10 H new ATOM 0 HB3 CYS A 107 -7.174 10.436 1.736 1.00 41.10 H new ATOM 0 HG CYS A 107 -10.325 10.617 0.485 1.00 61.31 H new ATOM 1719 N GLY A 108 -5.494 11.540 0.296 1.00 32.32 N ATOM 1720 CA GLY A 108 -4.070 11.818 0.286 1.00 22.55 C ATOM 1721 C GLY A 108 -3.694 12.884 -0.723 1.00 61.33 C ATOM 1722 O GLY A 108 -4.558 13.438 -1.402 1.00 33.32 O ATOM 0 H GLY A 108 -6.041 12.128 0.925 1.00 32.32 H new ATOM 0 HA2 GLY A 108 -3.758 12.138 1.280 1.00 22.55 H new ATOM 0 HA3 GLY A 108 -3.526 10.901 0.061 1.00 22.55 H new ATOM 1726 N ALA A 109 -2.401 13.173 -0.822 1.00 44.21 N ATOM 1727 CA ALA A 109 -1.912 14.180 -1.756 1.00 73.24 C ATOM 1728 C ALA A 109 -1.109 13.539 -2.883 1.00 51.33 C ATOM 1729 O ALA A 109 -0.617 12.417 -2.767 1.00 5.02 O ATOM 1730 CB ALA A 109 -1.068 15.213 -1.025 1.00 52.22 C ATOM 0 H ALA A 109 -1.673 12.724 -0.267 1.00 44.21 H new ATOM 0 HA ALA A 109 -2.774 14.679 -2.198 1.00 73.24 H new ATOM 0 HB1 ALA A 109 -0.710 15.958 -1.735 1.00 52.22 H new ATOM 0 HB2 ALA A 109 -1.672 15.701 -0.260 1.00 52.22 H new ATOM 0 HB3 ALA A 109 -0.216 14.721 -0.555 1.00 52.22 H new ATOM 1736 N PRO A 110 -0.973 14.267 -4.002 1.00 11.12 N ATOM 1737 CA PRO A 110 -0.230 13.789 -5.172 1.00 12.24 C ATOM 1738 C PRO A 110 1.272 13.721 -4.916 1.00 74.24 C ATOM 1739 O PRO A 110 1.963 14.739 -4.948 1.00 20.03 O ATOM 1740 CB PRO A 110 -0.543 14.837 -6.243 1.00 34.31 C ATOM 1741 CG PRO A 110 -0.871 16.073 -5.479 1.00 52.23 C ATOM 1742 CD PRO A 110 -1.534 15.613 -4.210 1.00 64.33 C ATOM 0 HA PRO A 110 -0.517 12.775 -5.451 1.00 12.24 H new ATOM 0 HB2 PRO A 110 0.309 14.995 -6.904 1.00 34.31 H new ATOM 0 HB3 PRO A 110 -1.379 14.525 -6.870 1.00 34.31 H new ATOM 0 HG2 PRO A 110 0.029 16.648 -5.262 1.00 52.23 H new ATOM 0 HG3 PRO A 110 -1.533 16.722 -6.052 1.00 52.23 H new ATOM 0 HD2 PRO A 110 -1.308 16.276 -3.375 1.00 64.33 H new ATOM 0 HD3 PRO A 110 -2.619 15.585 -4.310 1.00 64.33 H new ATOM 1750 N ARG A 111 1.770 12.515 -4.664 1.00 61.14 N ATOM 1751 CA ARG A 111 3.190 12.315 -4.403 1.00 63.41 C ATOM 1752 C ARG A 111 4.011 12.517 -5.674 1.00 33.43 C ATOM 1753 O ARG A 111 3.507 12.343 -6.784 1.00 3.54 O ATOM 1754 CB ARG A 111 3.435 10.912 -3.843 1.00 52.10 C ATOM 1755 CG ARG A 111 3.336 10.835 -2.328 1.00 53.52 C ATOM 1756 CD ARG A 111 4.504 11.541 -1.657 1.00 72.02 C ATOM 1757 NE ARG A 111 5.753 10.801 -1.814 1.00 43.30 N ATOM 1758 CZ ARG A 111 6.955 11.346 -1.658 1.00 54.43 C ATOM 1759 NH1 ARG A 111 7.068 12.629 -1.343 1.00 3.14 N ATOM 1760 NH2 ARG A 111 8.045 10.608 -1.818 1.00 23.22 N ATOM 0 H ARG A 111 1.211 11.662 -4.635 1.00 61.14 H new ATOM 0 HA ARG A 111 3.505 13.054 -3.666 1.00 63.41 H new ATOM 0 HB2 ARG A 111 2.712 10.224 -4.281 1.00 52.10 H new ATOM 0 HB3 ARG A 111 4.424 10.574 -4.152 1.00 52.10 H new ATOM 0 HG2 ARG A 111 2.400 11.286 -2.000 1.00 53.52 H new ATOM 0 HG3 ARG A 111 3.313 9.791 -2.016 1.00 53.52 H new ATOM 0 HD2 ARG A 111 4.617 12.538 -2.082 1.00 72.02 H new ATOM 0 HD3 ARG A 111 4.289 11.669 -0.596 1.00 72.02 H new ATOM 0 HE ARG A 111 5.700 9.812 -2.057 1.00 43.30 H new ATOM 0 HH11 ARG A 111 6.231 13.200 -1.220 1.00 3.14 H new ATOM 0 HH12 ARG A 111 7.991 13.045 -1.224 1.00 3.14 H new ATOM 0 HH21 ARG A 111 7.961 9.621 -2.061 1.00 23.22 H new ATOM 0 HH22 ARG A 111 8.967 11.027 -1.698 1.00 23.22 H new ATOM 1774 N SER A 112 5.276 12.884 -5.503 1.00 5.44 N ATOM 1775 CA SER A 112 6.166 13.114 -6.635 1.00 55.33 C ATOM 1776 C SER A 112 7.522 12.455 -6.404 1.00 73.41 C ATOM 1777 O SER A 112 7.897 12.165 -5.268 1.00 53.24 O ATOM 1778 CB SER A 112 6.349 14.615 -6.870 1.00 61.12 C ATOM 1779 OG SER A 112 6.495 14.901 -8.250 1.00 61.15 O ATOM 0 H SER A 112 5.709 13.029 -4.591 1.00 5.44 H new ATOM 0 HA SER A 112 5.711 12.667 -7.519 1.00 55.33 H new ATOM 0 HB2 SER A 112 5.490 15.156 -6.472 1.00 61.12 H new ATOM 0 HB3 SER A 112 7.227 14.967 -6.328 1.00 61.12 H new ATOM 0 HG SER A 112 6.609 15.866 -8.374 1.00 61.15 H new ATOM 1785 N GLN A 113 8.251 12.220 -7.490 1.00 44.30 N ATOM 1786 CA GLN A 113 9.565 11.594 -7.406 1.00 45.12 C ATOM 1787 C GLN A 113 10.671 12.644 -7.429 1.00 43.13 C ATOM 1788 O GLN A 113 10.439 13.798 -7.788 1.00 75.54 O ATOM 1789 CB GLN A 113 9.758 10.608 -8.559 1.00 63.24 C ATOM 1790 CG GLN A 113 9.931 9.167 -8.106 1.00 12.35 C ATOM 1791 CD GLN A 113 11.184 8.525 -8.667 1.00 73.50 C ATOM 1792 OE1 GLN A 113 12.071 8.110 -7.920 1.00 75.43 O ATOM 1793 NE2 GLN A 113 11.263 8.438 -9.990 1.00 4.33 N ATOM 0 H GLN A 113 7.954 12.453 -8.438 1.00 44.30 H new ATOM 0 HA GLN A 113 9.622 11.053 -6.461 1.00 45.12 H new ATOM 0 HB2 GLN A 113 8.898 10.669 -9.226 1.00 63.24 H new ATOM 0 HB3 GLN A 113 10.632 10.905 -9.138 1.00 63.24 H new ATOM 0 HG2 GLN A 113 9.967 9.134 -7.017 1.00 12.35 H new ATOM 0 HG3 GLN A 113 9.061 8.587 -8.414 1.00 12.35 H new ATOM 0 HE21 GLN A 113 10.504 8.795 -10.571 1.00 4.33 H new ATOM 0 HE22 GLN A 113 12.082 8.014 -10.425 1.00 4.33 H new ATOM 1802 N GLY A 114 11.876 12.236 -7.043 1.00 5.21 N ATOM 1803 CA GLY A 114 13.000 13.154 -7.026 1.00 43.12 C ATOM 1804 C GLY A 114 14.324 12.446 -6.816 1.00 41.21 C ATOM 1805 O GLY A 114 14.357 11.243 -6.558 1.00 1.42 O ATOM 0 H GLY A 114 12.094 11.286 -6.742 1.00 5.21 H new ATOM 0 HA2 GLY A 114 13.031 13.703 -7.967 1.00 43.12 H new ATOM 0 HA3 GLY A 114 12.854 13.888 -6.233 1.00 43.12 H new ATOM 1809 N GLN A 115 15.417 13.194 -6.929 1.00 24.54 N ATOM 1810 CA GLN A 115 16.750 12.628 -6.751 1.00 51.53 C ATOM 1811 C GLN A 115 17.160 12.652 -5.283 1.00 21.04 C ATOM 1812 O GLN A 115 17.918 11.796 -4.826 1.00 71.10 O ATOM 1813 CB GLN A 115 17.770 13.400 -7.590 1.00 52.24 C ATOM 1814 CG GLN A 115 18.538 12.527 -8.569 1.00 72.33 C ATOM 1815 CD GLN A 115 19.416 13.333 -9.506 1.00 22.33 C ATOM 1816 OE1 GLN A 115 19.742 14.488 -9.230 1.00 32.33 O ATOM 1817 NE2 GLN A 115 19.805 12.727 -10.621 1.00 64.52 N ATOM 0 H GLN A 115 15.406 14.191 -7.143 1.00 24.54 H new ATOM 0 HA GLN A 115 16.725 11.591 -7.085 1.00 51.53 H new ATOM 0 HB2 GLN A 115 17.254 14.184 -8.143 1.00 52.24 H new ATOM 0 HB3 GLN A 115 18.478 13.893 -6.923 1.00 52.24 H new ATOM 0 HG2 GLN A 115 19.157 11.823 -8.013 1.00 72.33 H new ATOM 0 HG3 GLN A 115 17.833 11.938 -9.155 1.00 72.33 H new ATOM 0 HE21 GLN A 115 19.511 11.769 -10.810 1.00 64.52 H new ATOM 0 HE22 GLN A 115 20.398 13.220 -11.289 1.00 64.52 H new ATOM 1826 N ARG A 116 16.655 13.638 -4.548 1.00 20.51 N ATOM 1827 CA ARG A 116 16.970 13.773 -3.131 1.00 44.20 C ATOM 1828 C ARG A 116 15.706 14.022 -2.314 1.00 0.30 C ATOM 1829 O ARG A 116 14.598 14.022 -2.851 1.00 42.10 O ATOM 1830 CB ARG A 116 17.964 14.917 -2.915 1.00 74.40 C ATOM 1831 CG ARG A 116 19.341 14.451 -2.471 1.00 51.45 C ATOM 1832 CD ARG A 116 19.437 14.362 -0.957 1.00 25.45 C ATOM 1833 NE ARG A 116 19.827 13.026 -0.511 1.00 51.41 N ATOM 1834 CZ ARG A 116 19.678 12.595 0.737 1.00 40.44 C ATOM 1835 NH1 ARG A 116 19.151 13.390 1.658 1.00 52.25 N ATOM 1836 NH2 ARG A 116 20.057 11.367 1.065 1.00 75.20 N ATOM 0 H ARG A 116 16.026 14.355 -4.911 1.00 20.51 H new ATOM 0 HA ARG A 116 17.421 12.840 -2.794 1.00 44.20 H new ATOM 0 HB2 ARG A 116 18.062 15.482 -3.842 1.00 74.40 H new ATOM 0 HB3 ARG A 116 17.562 15.600 -2.167 1.00 74.40 H new ATOM 0 HG2 ARG A 116 19.555 13.476 -2.908 1.00 51.45 H new ATOM 0 HG3 ARG A 116 20.098 15.141 -2.845 1.00 51.45 H new ATOM 0 HD2 ARG A 116 20.163 15.091 -0.596 1.00 25.45 H new ATOM 0 HD3 ARG A 116 18.475 14.625 -0.517 1.00 25.45 H new ATOM 0 HE ARG A 116 20.236 12.390 -1.195 1.00 51.41 H new ATOM 0 HH11 ARG A 116 18.859 14.335 1.409 1.00 52.25 H new ATOM 0 HH12 ARG A 116 19.038 13.057 2.615 1.00 52.25 H new ATOM 0 HH21 ARG A 116 20.463 10.753 0.359 1.00 75.20 H new ATOM 0 HH22 ARG A 116 19.942 11.037 2.023 1.00 75.20 H new TER 1850 ARG A 116