USER MOD reduce.3.24.130724 H: found=0, std=0, add=1213, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1209 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 138 GLN : amide:sc= -0.277 X(o=-0.43,f=0.068) USER MOD Set 1.2: A 142 ASN : amide:sc= -0.155 X(o=-0.43,f=-0.017) USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0.876 USER MOD Set 2.2: A 40 THR OG1 : rot 156:sc= 0.337 USER MOD Set 2.3: A 129 TYR OH : rot 40:sc= 1.44 USER MOD Set 3.1: A 116 LYS NZ :NH3+ 164:sc= 0.439 (180deg=-0.021) USER MOD Set 3.2: A 118 TYR OH : rot 30:sc= 0.416 USER MOD Set 4.1: A 74 GLN : amide:sc= -0.65 K(o=-0.65,f=-2.6!) USER MOD Set 4.2: A 98 TYR OH : rot 30:sc= 0.00142 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 3 SER OG : rot 7:sc= 1.23 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 13:sc= 1.01 USER MOD Single : A 22 SER OG : rot -48:sc= 0.00775 USER MOD Single : A 23 SER OG : rot 31:sc= 1.24 USER MOD Single : A 27 GLN : amide:sc= 0.911 K(o=0.91,f=-7.6!) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.0363 USER MOD Single : A 29 THR OG1 : rot -18:sc= 0.295 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 155:sc= 1.29 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0374 USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.086) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.148) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0913 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 176:sc= 0 (180deg=-0.0155) USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= -0.0452 (180deg=-0.174) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 174:sc= -0.027 USER MOD Single : A 82 SER OG : rot -103:sc= 0.0578 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 169:sc= 1.32 USER MOD Single : A 87 ASN : amide:sc= -0.0765 X(o=-0.076,f=-0.34) USER MOD Single : A 90 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.954) USER MOD Single : A 91 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.64) USER MOD Single : A 92 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00306) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 112 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.86) USER MOD Single : A 122 CYS SG : rot 148:sc= 0.387 USER MOD Single : A 123 TYR OH : rot 24:sc= 0.326 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 80:sc= -0.783 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 95:sc= 1.22 USER MOD Single : A 141 GLN : amide:sc= -0.0562 K(o=-0.056,f=-1.2) USER MOD Single : A 144 LYS NZ :NH3+ 176:sc= -0.116 (180deg=-0.136) USER MOD Single : A 147 ASN : amide:sc= 0.875 K(o=0.87,f=-9.6!) USER MOD Single : A 151 LYS NZ :NH3+ -129:sc= -0.0707 (180deg=-2.29!) USER MOD Single : A 154 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.798 -19.276 -7.775 1.00 23.32 N ATOM 2 CA GLY A 1 -29.339 -17.885 -7.892 1.00 12.42 C ATOM 3 C GLY A 1 -28.078 -17.937 -8.721 1.00 33.13 C ATOM 4 O GLY A 1 -27.179 -18.706 -8.383 1.00 64.23 O ATOM 0 H1 GLY A 1 -30.671 -19.307 -7.210 1.00 23.32 H new ATOM 0 H2 GLY A 1 -29.985 -19.661 -8.723 1.00 23.32 H new ATOM 0 H3 GLY A 1 -29.063 -19.846 -7.309 1.00 23.32 H new ATOM 0 HA2 GLY A 1 -30.096 -17.262 -8.369 1.00 12.42 H new ATOM 0 HA3 GLY A 1 -29.144 -17.453 -6.910 1.00 12.42 H new ATOM 8 N ASP A 2 -28.076 -17.233 -9.849 1.00 62.52 N ATOM 9 CA ASP A 2 -27.367 -17.712 -11.030 1.00 63.32 C ATOM 10 C ASP A 2 -26.610 -16.533 -11.605 1.00 41.41 C ATOM 11 O ASP A 2 -25.380 -16.528 -11.606 1.00 41.31 O ATOM 12 CB ASP A 2 -28.384 -18.368 -11.985 1.00 64.23 C ATOM 13 CG ASP A 2 -29.014 -19.576 -11.274 1.00 12.12 C ATOM 14 OD1 ASP A 2 -29.973 -19.354 -10.486 1.00 73.52 O ATOM 15 OD2 ASP A 2 -28.439 -20.677 -11.352 1.00 70.43 O ATOM 0 H ASP A 2 -28.552 -16.339 -9.970 1.00 62.52 H new ATOM 0 HA ASP A 2 -26.632 -18.487 -10.815 1.00 63.32 H new ATOM 0 HB2 ASP A 2 -29.155 -17.651 -12.268 1.00 64.23 H new ATOM 0 HB3 ASP A 2 -27.891 -18.685 -12.904 1.00 64.23 H new ATOM 20 N SER A 3 -27.337 -15.487 -11.995 1.00 3.00 N ATOM 21 CA SER A 3 -26.899 -14.104 -11.996 1.00 4.34 C ATOM 22 C SER A 3 -28.147 -13.225 -12.070 1.00 3.30 C ATOM 23 O SER A 3 -29.240 -13.715 -12.370 1.00 10.21 O ATOM 24 CB SER A 3 -26.006 -13.827 -13.205 1.00 5.33 C ATOM 25 OG SER A 3 -24.739 -14.434 -13.035 1.00 72.15 O ATOM 0 H SER A 3 -28.293 -15.593 -12.334 1.00 3.00 H new ATOM 0 HA SER A 3 -26.325 -13.892 -11.094 1.00 4.34 H new ATOM 0 HB2 SER A 3 -26.480 -14.208 -14.110 1.00 5.33 H new ATOM 0 HB3 SER A 3 -25.886 -12.752 -13.337 1.00 5.33 H new ATOM 0 HG SER A 3 -24.749 -14.993 -12.230 1.00 72.15 H new ATOM 31 N GLU A 4 -27.961 -11.924 -11.875 1.00 21.20 N ATOM 32 CA GLU A 4 -28.913 -10.870 -12.173 1.00 71.53 C ATOM 33 C GLU A 4 -28.149 -9.649 -12.719 1.00 61.55 C ATOM 34 O GLU A 4 -26.930 -9.717 -12.895 1.00 62.53 O ATOM 35 CB GLU A 4 -29.786 -10.586 -10.934 1.00 13.40 C ATOM 36 CG GLU A 4 -29.027 -9.969 -9.740 1.00 54.23 C ATOM 37 CD GLU A 4 -29.399 -10.617 -8.397 1.00 10.13 C ATOM 38 OE1 GLU A 4 -30.606 -10.658 -8.076 1.00 34.14 O ATOM 39 OE2 GLU A 4 -28.463 -11.070 -7.690 1.00 5.02 O ATOM 0 H GLU A 4 -27.092 -11.561 -11.483 1.00 21.20 H new ATOM 0 HA GLU A 4 -29.612 -11.169 -12.954 1.00 71.53 H new ATOM 0 HB2 GLU A 4 -30.593 -9.912 -11.221 1.00 13.40 H new ATOM 0 HB3 GLU A 4 -30.249 -11.518 -10.611 1.00 13.40 H new ATOM 0 HG2 GLU A 4 -27.955 -10.074 -9.904 1.00 54.23 H new ATOM 0 HG3 GLU A 4 -29.239 -8.901 -9.694 1.00 54.23 H new ATOM 46 N LEU A 5 -28.855 -8.563 -13.052 1.00 62.43 N ATOM 47 CA LEU A 5 -28.300 -7.355 -13.681 1.00 71.31 C ATOM 48 C LEU A 5 -27.298 -6.675 -12.736 1.00 71.12 C ATOM 49 O LEU A 5 -27.571 -6.623 -11.536 1.00 65.12 O ATOM 50 CB LEU A 5 -29.469 -6.400 -13.989 1.00 53.04 C ATOM 51 CG LEU A 5 -29.132 -5.280 -14.993 1.00 62.33 C ATOM 52 CD1 LEU A 5 -29.117 -5.830 -16.426 1.00 11.42 C ATOM 53 CD2 LEU A 5 -30.186 -4.171 -14.907 1.00 34.50 C ATOM 0 H LEU A 5 -29.859 -8.496 -12.887 1.00 62.43 H new ATOM 0 HA LEU A 5 -27.773 -7.618 -14.599 1.00 71.31 H new ATOM 0 HB2 LEU A 5 -30.304 -6.982 -14.380 1.00 53.04 H new ATOM 0 HB3 LEU A 5 -29.806 -5.946 -13.057 1.00 53.04 H new ATOM 0 HG LEU A 5 -28.148 -4.883 -14.745 1.00 62.33 H new ATOM 0 HD11 LEU A 5 -28.877 -5.026 -17.122 1.00 11.42 H new ATOM 0 HD12 LEU A 5 -28.366 -6.615 -16.506 1.00 11.42 H new ATOM 0 HD13 LEU A 5 -30.097 -6.240 -16.669 1.00 11.42 H new ATOM 0 HD21 LEU A 5 -29.943 -3.382 -15.619 1.00 34.50 H new ATOM 0 HD22 LEU A 5 -31.167 -4.583 -15.143 1.00 34.50 H new ATOM 0 HD23 LEU A 5 -30.199 -3.758 -13.898 1.00 34.50 H new ATOM 65 N THR A 6 -26.178 -6.136 -13.242 1.00 70.23 N ATOM 66 CA THR A 6 -25.114 -5.590 -12.393 1.00 23.52 C ATOM 67 C THR A 6 -24.767 -4.147 -12.781 1.00 4.02 C ATOM 68 O THR A 6 -25.022 -3.692 -13.906 1.00 65.33 O ATOM 69 CB THR A 6 -23.899 -6.549 -12.344 1.00 21.22 C ATOM 70 OG1 THR A 6 -23.144 -6.581 -13.545 1.00 65.31 O ATOM 71 CG2 THR A 6 -24.325 -7.983 -12.033 1.00 43.14 C ATOM 0 H THR A 6 -25.988 -6.068 -14.242 1.00 70.23 H new ATOM 0 HA THR A 6 -25.479 -5.525 -11.368 1.00 23.52 H new ATOM 0 HB THR A 6 -23.272 -6.146 -11.548 1.00 21.22 H new ATOM 0 HG1 THR A 6 -22.394 -7.203 -13.443 1.00 65.31 H new ATOM 0 HG21 THR A 6 -23.445 -8.626 -12.007 1.00 43.14 H new ATOM 0 HG22 THR A 6 -24.825 -8.012 -11.065 1.00 43.14 H new ATOM 0 HG23 THR A 6 -25.009 -8.335 -12.805 1.00 43.14 H new ATOM 79 N THR A 7 -24.184 -3.405 -11.839 1.00 21.43 N ATOM 80 CA THR A 7 -24.060 -1.953 -11.884 1.00 1.01 C ATOM 81 C THR A 7 -22.676 -1.540 -11.356 1.00 72.15 C ATOM 82 O THR A 7 -21.748 -2.354 -11.373 1.00 3.34 O ATOM 83 CB THR A 7 -25.250 -1.305 -11.152 1.00 32.41 C ATOM 84 OG1 THR A 7 -25.253 -1.626 -9.777 1.00 32.34 O ATOM 85 CG2 THR A 7 -26.607 -1.684 -11.751 1.00 74.53 C ATOM 0 H THR A 7 -23.773 -3.813 -10.999 1.00 21.43 H new ATOM 0 HA THR A 7 -24.111 -1.583 -12.908 1.00 1.01 H new ATOM 0 HB THR A 7 -25.111 -0.232 -11.281 1.00 32.41 H new ATOM 0 HG1 THR A 7 -26.020 -1.197 -9.343 1.00 32.34 H new ATOM 0 HG21 THR A 7 -27.402 -1.194 -11.189 1.00 74.53 H new ATOM 0 HG22 THR A 7 -26.648 -1.363 -12.792 1.00 74.53 H new ATOM 0 HG23 THR A 7 -26.739 -2.765 -11.699 1.00 74.53 H new ATOM 93 N GLN A 8 -22.457 -0.266 -11.009 1.00 22.12 N ATOM 94 CA GLN A 8 -21.294 0.151 -10.228 1.00 23.11 C ATOM 95 C GLN A 8 -21.639 0.004 -8.744 1.00 33.40 C ATOM 96 O GLN A 8 -21.979 0.984 -8.078 1.00 71.54 O ATOM 97 CB GLN A 8 -20.899 1.592 -10.584 1.00 4.44 C ATOM 98 CG GLN A 8 -20.116 1.642 -11.895 1.00 70.21 C ATOM 99 CD GLN A 8 -19.737 3.069 -12.257 1.00 14.14 C ATOM 100 OE1 GLN A 8 -18.586 3.476 -12.149 1.00 1.11 O ATOM 101 NE2 GLN A 8 -20.700 3.849 -12.711 1.00 44.35 N ATOM 0 H GLN A 8 -23.081 0.500 -11.262 1.00 22.12 H new ATOM 0 HA GLN A 8 -20.433 -0.477 -10.457 1.00 23.11 H new ATOM 0 HB2 GLN A 8 -21.795 2.207 -10.669 1.00 4.44 H new ATOM 0 HB3 GLN A 8 -20.296 2.016 -9.781 1.00 4.44 H new ATOM 0 HG2 GLN A 8 -19.215 1.035 -11.806 1.00 70.21 H new ATOM 0 HG3 GLN A 8 -20.715 1.208 -12.696 1.00 70.21 H new ATOM 0 HE21 GLN A 8 -21.651 3.490 -12.793 1.00 44.35 H new ATOM 0 HE22 GLN A 8 -20.493 4.811 -12.980 1.00 44.35 H new ATOM 110 N ASP A 9 -21.602 -1.217 -8.212 1.00 51.35 N ATOM 111 CA ASP A 9 -22.097 -1.548 -6.885 1.00 5.12 C ATOM 112 C ASP A 9 -21.591 -2.946 -6.546 1.00 22.33 C ATOM 113 O ASP A 9 -22.089 -3.940 -7.082 1.00 73.41 O ATOM 114 CB ASP A 9 -23.629 -1.479 -6.850 1.00 22.50 C ATOM 115 CG ASP A 9 -24.143 -1.585 -5.422 1.00 3.20 C ATOM 116 OD1 ASP A 9 -24.162 -0.526 -4.748 1.00 12.14 O ATOM 117 OD2 ASP A 9 -24.553 -2.688 -5.004 1.00 3.24 O ATOM 0 H ASP A 9 -21.216 -2.021 -8.708 1.00 51.35 H new ATOM 0 HA ASP A 9 -21.735 -0.834 -6.145 1.00 5.12 H new ATOM 0 HB2 ASP A 9 -23.965 -0.542 -7.294 1.00 22.50 H new ATOM 0 HB3 ASP A 9 -24.048 -2.285 -7.453 1.00 22.50 H new ATOM 122 N GLY A 10 -20.533 -3.006 -5.743 1.00 65.54 N ATOM 123 CA GLY A 10 -19.967 -4.229 -5.197 1.00 2.01 C ATOM 124 C GLY A 10 -20.068 -4.187 -3.675 1.00 45.12 C ATOM 125 O GLY A 10 -21.018 -3.628 -3.116 1.00 64.42 O ATOM 0 H GLY A 10 -20.029 -2.171 -5.445 1.00 65.54 H new ATOM 0 HA2 GLY A 10 -20.500 -5.097 -5.586 1.00 2.01 H new ATOM 0 HA3 GLY A 10 -18.926 -4.331 -5.503 1.00 2.01 H new ATOM 129 N GLU A 11 -19.072 -4.743 -2.987 1.00 4.01 N ATOM 130 CA GLU A 11 -18.966 -4.731 -1.538 1.00 73.51 C ATOM 131 C GLU A 11 -18.974 -3.293 -1.021 1.00 14.10 C ATOM 132 O GLU A 11 -18.630 -2.343 -1.728 1.00 1.10 O ATOM 133 CB GLU A 11 -17.670 -5.421 -1.078 1.00 13.02 C ATOM 134 CG GLU A 11 -17.787 -6.532 -0.043 1.00 25.50 C ATOM 135 CD GLU A 11 -18.735 -7.697 -0.378 1.00 23.14 C ATOM 136 OE1 GLU A 11 -19.968 -7.533 -0.237 1.00 41.04 O ATOM 137 OE2 GLU A 11 -18.249 -8.828 -0.613 1.00 54.34 O ATOM 0 H GLU A 11 -18.297 -5.227 -3.440 1.00 4.01 H new ATOM 0 HA GLU A 11 -19.821 -5.273 -1.135 1.00 73.51 H new ATOM 0 HB2 GLU A 11 -17.179 -5.834 -1.959 1.00 13.02 H new ATOM 0 HB3 GLU A 11 -17.008 -4.655 -0.674 1.00 13.02 H new ATOM 0 HG2 GLU A 11 -16.792 -6.943 0.128 1.00 25.50 H new ATOM 0 HG3 GLU A 11 -18.114 -6.087 0.897 1.00 25.50 H new ATOM 144 N ASP A 12 -19.316 -3.168 0.251 1.00 32.50 N ATOM 145 CA ASP A 12 -19.501 -1.921 0.967 1.00 10.32 C ATOM 146 C ASP A 12 -18.177 -1.207 1.278 1.00 44.34 C ATOM 147 O ASP A 12 -17.172 -1.849 1.609 1.00 2.11 O ATOM 148 CB ASP A 12 -20.190 -2.298 2.271 1.00 61.15 C ATOM 149 CG ASP A 12 -20.460 -1.082 3.130 1.00 31.53 C ATOM 150 OD1 ASP A 12 -19.567 -0.707 3.920 1.00 63.44 O ATOM 151 OD2 ASP A 12 -21.580 -0.544 3.032 1.00 11.41 O ATOM 0 H ASP A 12 -19.481 -3.982 0.843 1.00 32.50 H new ATOM 0 HA ASP A 12 -20.080 -1.227 0.357 1.00 10.32 H new ATOM 0 HB2 ASP A 12 -21.129 -2.806 2.053 1.00 61.15 H new ATOM 0 HB3 ASP A 12 -19.567 -3.002 2.822 1.00 61.15 H new ATOM 156 N PHE A 13 -18.205 0.129 1.252 1.00 73.41 N ATOM 157 CA PHE A 13 -17.071 1.016 1.489 1.00 1.11 C ATOM 158 C PHE A 13 -16.412 0.826 2.865 1.00 2.30 C ATOM 159 O PHE A 13 -15.186 0.786 2.975 1.00 30.14 O ATOM 160 CB PHE A 13 -17.529 2.474 1.331 1.00 24.13 C ATOM 161 CG PHE A 13 -18.090 2.825 -0.036 1.00 45.02 C ATOM 162 CD1 PHE A 13 -17.302 2.659 -1.192 1.00 71.12 C ATOM 163 CD2 PHE A 13 -19.394 3.341 -0.162 1.00 1.22 C ATOM 164 CE1 PHE A 13 -17.818 2.996 -2.456 1.00 12.32 C ATOM 165 CE2 PHE A 13 -19.900 3.680 -1.429 1.00 30.21 C ATOM 166 CZ PHE A 13 -19.113 3.519 -2.578 1.00 11.33 C ATOM 0 H PHE A 13 -19.064 0.643 1.055 1.00 73.41 H new ATOM 0 HA PHE A 13 -16.312 0.761 0.750 1.00 1.11 H new ATOM 0 HB2 PHE A 13 -18.289 2.684 2.084 1.00 24.13 H new ATOM 0 HB3 PHE A 13 -16.683 3.129 1.540 1.00 24.13 H new ATOM 0 HD1 PHE A 13 -16.298 2.271 -1.107 1.00 71.12 H new ATOM 0 HD2 PHE A 13 -20.007 3.477 0.717 1.00 1.22 H new ATOM 0 HE1 PHE A 13 -17.213 2.851 -3.339 1.00 12.32 H new ATOM 0 HE2 PHE A 13 -20.904 4.068 -1.518 1.00 30.21 H new ATOM 0 HZ PHE A 13 -19.501 3.795 -3.548 1.00 11.33 H new ATOM 176 N LYS A 14 -17.194 0.735 3.940 1.00 50.44 N ATOM 177 CA LYS A 14 -16.667 0.558 5.284 1.00 34.43 C ATOM 178 C LYS A 14 -16.268 -0.900 5.461 1.00 64.43 C ATOM 179 O LYS A 14 -15.236 -1.135 6.079 1.00 65.21 O ATOM 180 CB LYS A 14 -17.704 1.020 6.326 1.00 2.42 C ATOM 181 CG LYS A 14 -17.201 0.969 7.782 1.00 45.43 C ATOM 182 CD LYS A 14 -16.056 1.931 8.125 1.00 13.20 C ATOM 183 CE LYS A 14 -16.500 3.401 8.151 1.00 41.11 C ATOM 184 NZ LYS A 14 -15.911 4.185 7.049 1.00 45.14 N ATOM 0 H LYS A 14 -18.212 0.783 3.899 1.00 50.44 H new ATOM 0 HA LYS A 14 -15.780 1.173 5.435 1.00 34.43 H new ATOM 0 HB2 LYS A 14 -18.007 2.041 6.093 1.00 2.42 H new ATOM 0 HB3 LYS A 14 -18.594 0.396 6.238 1.00 2.42 H new ATOM 0 HG2 LYS A 14 -18.040 1.182 8.444 1.00 45.43 H new ATOM 0 HG3 LYS A 14 -16.874 -0.048 7.998 1.00 45.43 H new ATOM 0 HD2 LYS A 14 -15.643 1.664 9.098 1.00 13.20 H new ATOM 0 HD3 LYS A 14 -15.256 1.811 7.395 1.00 13.20 H new ATOM 0 HE2 LYS A 14 -17.587 3.451 8.088 1.00 41.11 H new ATOM 0 HE3 LYS A 14 -16.215 3.847 9.104 1.00 41.11 H new ATOM 0 HZ1 LYS A 14 -16.240 5.170 7.109 1.00 45.14 H new ATOM 0 HZ2 LYS A 14 -14.874 4.161 7.122 1.00 45.14 H new ATOM 0 HZ3 LYS A 14 -16.203 3.777 6.138 1.00 45.14 H new ATOM 198 N SER A 15 -17.004 -1.861 4.885 1.00 2.12 N ATOM 199 CA SER A 15 -16.638 -3.274 4.945 1.00 33.33 C ATOM 200 C SER A 15 -15.211 -3.465 4.447 1.00 42.12 C ATOM 201 O SER A 15 -14.383 -4.078 5.134 1.00 24.23 O ATOM 202 CB SER A 15 -17.582 -4.154 4.110 1.00 23.42 C ATOM 203 OG SER A 15 -17.227 -5.507 4.309 1.00 63.13 O ATOM 0 H SER A 15 -17.864 -1.677 4.368 1.00 2.12 H new ATOM 0 HA SER A 15 -16.720 -3.582 5.987 1.00 33.33 H new ATOM 0 HB2 SER A 15 -18.617 -3.987 4.407 1.00 23.42 H new ATOM 0 HB3 SER A 15 -17.507 -3.894 3.054 1.00 23.42 H new ATOM 0 HG SER A 15 -17.822 -6.082 3.784 1.00 63.13 H new ATOM 209 N PHE A 16 -14.921 -2.985 3.229 1.00 45.31 N ATOM 210 CA PHE A 16 -13.634 -3.315 2.645 1.00 73.21 C ATOM 211 C PHE A 16 -12.501 -2.687 3.446 1.00 51.03 C ATOM 212 O PHE A 16 -11.448 -3.312 3.572 1.00 22.42 O ATOM 213 CB PHE A 16 -13.545 -3.025 1.150 1.00 34.41 C ATOM 214 CG PHE A 16 -13.012 -1.665 0.760 1.00 53.22 C ATOM 215 CD1 PHE A 16 -13.893 -0.579 0.697 1.00 1.04 C ATOM 216 CD2 PHE A 16 -11.659 -1.491 0.410 1.00 53.21 C ATOM 217 CE1 PHE A 16 -13.432 0.684 0.288 1.00 33.42 C ATOM 218 CE2 PHE A 16 -11.200 -0.236 -0.025 1.00 74.24 C ATOM 219 CZ PHE A 16 -12.089 0.850 -0.085 1.00 31.42 C ATOM 0 H PHE A 16 -15.531 -2.397 2.661 1.00 45.31 H new ATOM 0 HA PHE A 16 -13.524 -4.397 2.712 1.00 73.21 H new ATOM 0 HB2 PHE A 16 -12.912 -3.785 0.692 1.00 34.41 H new ATOM 0 HB3 PHE A 16 -14.540 -3.138 0.720 1.00 34.41 H new ATOM 0 HD1 PHE A 16 -14.931 -0.712 0.964 1.00 1.04 H new ATOM 0 HD2 PHE A 16 -10.973 -2.323 0.476 1.00 53.21 H new ATOM 0 HE1 PHE A 16 -14.109 1.525 0.261 1.00 33.42 H new ATOM 0 HE2 PHE A 16 -10.167 -0.107 -0.312 1.00 74.24 H new ATOM 0 HZ PHE A 16 -11.738 1.815 -0.419 1.00 31.42 H new ATOM 229 N LEU A 17 -12.733 -1.513 4.040 1.00 73.15 N ATOM 230 CA LEU A 17 -11.730 -0.841 4.848 1.00 42.03 C ATOM 231 C LEU A 17 -11.563 -1.540 6.204 1.00 33.54 C ATOM 232 O LEU A 17 -10.436 -1.820 6.601 1.00 54.32 O ATOM 233 CB LEU A 17 -12.121 0.641 4.964 1.00 10.32 C ATOM 234 CG LEU A 17 -10.964 1.642 5.155 1.00 31.52 C ATOM 235 CD1 LEU A 17 -10.250 1.477 6.496 1.00 22.23 C ATOM 236 CD2 LEU A 17 -9.946 1.618 4.005 1.00 72.32 C ATOM 0 H LEU A 17 -13.618 -1.010 3.971 1.00 73.15 H new ATOM 0 HA LEU A 17 -10.749 -0.895 4.375 1.00 42.03 H new ATOM 0 HB2 LEU A 17 -12.670 0.921 4.065 1.00 10.32 H new ATOM 0 HB3 LEU A 17 -12.808 0.748 5.803 1.00 10.32 H new ATOM 0 HG LEU A 17 -11.444 2.620 5.149 1.00 31.52 H new ATOM 0 HD11 LEU A 17 -9.446 2.209 6.572 1.00 22.23 H new ATOM 0 HD12 LEU A 17 -10.960 1.632 7.308 1.00 22.23 H new ATOM 0 HD13 LEU A 17 -9.834 0.472 6.565 1.00 22.23 H new ATOM 0 HD21 LEU A 17 -9.158 2.345 4.201 1.00 72.32 H new ATOM 0 HD22 LEU A 17 -9.509 0.622 3.926 1.00 72.32 H new ATOM 0 HD23 LEU A 17 -10.447 1.869 3.070 1.00 72.32 H new ATOM 248 N ASP A 18 -12.657 -1.893 6.887 1.00 52.23 N ATOM 249 CA ASP A 18 -12.648 -2.593 8.177 1.00 1.40 C ATOM 250 C ASP A 18 -11.871 -3.903 8.050 1.00 64.33 C ATOM 251 O ASP A 18 -10.813 -4.062 8.666 1.00 62.13 O ATOM 252 CB ASP A 18 -14.085 -2.832 8.686 1.00 65.11 C ATOM 253 CG ASP A 18 -14.172 -3.545 10.043 1.00 30.51 C ATOM 254 OD1 ASP A 18 -13.142 -3.940 10.630 1.00 13.41 O ATOM 255 OD2 ASP A 18 -15.302 -3.693 10.568 1.00 64.31 O ATOM 0 H ASP A 18 -13.599 -1.695 6.549 1.00 52.23 H new ATOM 0 HA ASP A 18 -12.147 -1.968 8.916 1.00 1.40 H new ATOM 0 HB2 ASP A 18 -14.594 -1.871 8.762 1.00 65.11 H new ATOM 0 HB3 ASP A 18 -14.625 -3.421 7.945 1.00 65.11 H new ATOM 260 N LYS A 19 -12.328 -4.821 7.189 1.00 71.45 N ATOM 261 CA LYS A 19 -11.658 -6.118 7.047 1.00 51.45 C ATOM 262 C LYS A 19 -10.247 -5.966 6.460 1.00 33.30 C ATOM 263 O LYS A 19 -9.447 -6.891 6.586 1.00 12.43 O ATOM 264 CB LYS A 19 -12.511 -7.114 6.230 1.00 65.21 C ATOM 265 CG LYS A 19 -13.021 -8.315 7.043 1.00 43.24 C ATOM 266 CD LYS A 19 -13.532 -9.425 6.105 1.00 63.51 C ATOM 267 CE LYS A 19 -13.815 -10.730 6.858 1.00 10.11 C ATOM 268 NZ LYS A 19 -15.162 -10.769 7.454 1.00 72.55 N ATOM 0 H LYS A 19 -13.144 -4.693 6.590 1.00 71.45 H new ATOM 0 HA LYS A 19 -11.547 -6.534 8.048 1.00 51.45 H new ATOM 0 HB2 LYS A 19 -13.366 -6.584 5.809 1.00 65.21 H new ATOM 0 HB3 LYS A 19 -11.919 -7.481 5.392 1.00 65.21 H new ATOM 0 HG2 LYS A 19 -12.219 -8.703 7.672 1.00 43.24 H new ATOM 0 HG3 LYS A 19 -13.823 -7.996 7.709 1.00 43.24 H new ATOM 0 HD2 LYS A 19 -14.442 -9.089 5.608 1.00 63.51 H new ATOM 0 HD3 LYS A 19 -12.793 -9.609 5.326 1.00 63.51 H new ATOM 0 HE2 LYS A 19 -13.702 -11.570 6.173 1.00 10.11 H new ATOM 0 HE3 LYS A 19 -13.072 -10.858 7.645 1.00 10.11 H new ATOM 0 HZ1 LYS A 19 -15.296 -11.673 7.949 1.00 72.55 H new ATOM 0 HZ2 LYS A 19 -15.265 -9.985 8.130 1.00 72.55 H new ATOM 0 HZ3 LYS A 19 -15.876 -10.676 6.704 1.00 72.55 H new ATOM 282 N PHE A 20 -9.901 -4.840 5.828 1.00 5.34 N ATOM 283 CA PHE A 20 -8.523 -4.553 5.443 1.00 71.41 C ATOM 284 C PHE A 20 -7.676 -4.314 6.691 1.00 34.44 C ATOM 285 O PHE A 20 -6.626 -4.941 6.834 1.00 41.15 O ATOM 286 CB PHE A 20 -8.467 -3.396 4.443 1.00 70.31 C ATOM 287 CG PHE A 20 -7.096 -2.793 4.255 1.00 10.12 C ATOM 288 CD1 PHE A 20 -6.094 -3.502 3.568 1.00 61.11 C ATOM 289 CD2 PHE A 20 -6.821 -1.524 4.797 1.00 54.34 C ATOM 290 CE1 PHE A 20 -4.829 -2.919 3.394 1.00 64.25 C ATOM 291 CE2 PHE A 20 -5.549 -0.955 4.648 1.00 25.34 C ATOM 292 CZ PHE A 20 -4.561 -1.648 3.928 1.00 10.23 C ATOM 0 H PHE A 20 -10.565 -4.109 5.572 1.00 5.34 H new ATOM 0 HA PHE A 20 -8.098 -5.415 4.928 1.00 71.41 H new ATOM 0 HB2 PHE A 20 -8.829 -3.750 3.478 1.00 70.31 H new ATOM 0 HB3 PHE A 20 -9.151 -2.614 4.773 1.00 70.31 H new ATOM 0 HD1 PHE A 20 -6.297 -4.488 3.177 1.00 61.11 H new ATOM 0 HD2 PHE A 20 -7.592 -0.987 5.329 1.00 54.34 H new ATOM 0 HE1 PHE A 20 -4.061 -3.448 2.849 1.00 64.25 H new ATOM 0 HE2 PHE A 20 -5.330 0.009 5.083 1.00 25.34 H new ATOM 0 HZ PHE A 20 -3.589 -1.200 3.784 1.00 10.23 H new ATOM 302 N THR A 21 -8.138 -3.464 7.610 1.00 64.22 N ATOM 303 CA THR A 21 -7.447 -3.181 8.868 1.00 24.03 C ATOM 304 C THR A 21 -7.553 -4.315 9.911 1.00 50.54 C ATOM 305 O THR A 21 -6.883 -4.265 10.939 1.00 22.14 O ATOM 306 CB THR A 21 -7.986 -1.852 9.430 1.00 64.52 C ATOM 307 OG1 THR A 21 -9.405 -1.788 9.430 1.00 45.12 O ATOM 308 CG2 THR A 21 -7.521 -0.677 8.564 1.00 70.35 C ATOM 0 H THR A 21 -9.011 -2.948 7.500 1.00 64.22 H new ATOM 0 HA THR A 21 -6.381 -3.103 8.652 1.00 24.03 H new ATOM 0 HB THR A 21 -7.607 -1.796 10.450 1.00 64.52 H new ATOM 0 HG1 THR A 21 -9.773 -2.682 9.266 1.00 45.12 H new ATOM 0 HG21 THR A 21 -7.911 0.254 8.975 1.00 70.35 H new ATOM 0 HG22 THR A 21 -6.432 -0.641 8.554 1.00 70.35 H new ATOM 0 HG23 THR A 21 -7.890 -0.807 7.546 1.00 70.35 H new ATOM 316 N SER A 22 -8.402 -5.318 9.676 1.00 53.42 N ATOM 317 CA SER A 22 -8.836 -6.292 10.673 1.00 64.21 C ATOM 318 C SER A 22 -8.807 -7.714 10.086 1.00 4.02 C ATOM 319 O SER A 22 -9.596 -8.573 10.489 1.00 64.35 O ATOM 320 CB SER A 22 -10.224 -5.846 11.174 1.00 64.25 C ATOM 321 OG SER A 22 -10.625 -6.447 12.391 1.00 10.43 O ATOM 0 H SER A 22 -8.817 -5.477 8.758 1.00 53.42 H new ATOM 0 HA SER A 22 -8.161 -6.329 11.528 1.00 64.21 H new ATOM 0 HB2 SER A 22 -10.221 -4.763 11.301 1.00 64.25 H new ATOM 0 HB3 SER A 22 -10.965 -6.075 10.408 1.00 64.25 H new ATOM 0 HG SER A 22 -10.480 -7.415 12.341 1.00 10.43 H new ATOM 327 N SER A 23 -7.960 -7.987 9.086 1.00 21.02 N ATOM 328 CA SER A 23 -7.634 -9.347 8.658 1.00 32.10 C ATOM 329 C SER A 23 -6.319 -9.381 7.877 1.00 2.24 C ATOM 330 O SER A 23 -6.318 -9.245 6.648 1.00 52.32 O ATOM 331 CB SER A 23 -8.753 -9.954 7.806 1.00 61.52 C ATOM 332 OG SER A 23 -9.869 -10.337 8.579 1.00 63.45 O ATOM 0 H SER A 23 -7.480 -7.264 8.550 1.00 21.02 H new ATOM 0 HA SER A 23 -7.524 -9.945 9.563 1.00 32.10 H new ATOM 0 HB2 SER A 23 -9.067 -9.230 7.054 1.00 61.52 H new ATOM 0 HB3 SER A 23 -8.369 -10.823 7.272 1.00 61.52 H new ATOM 0 HG SER A 23 -9.949 -9.743 9.355 1.00 63.45 H new ATOM 338 N ALA A 24 -5.219 -9.658 8.575 1.00 61.44 N ATOM 339 CA ALA A 24 -3.911 -9.920 7.998 1.00 42.14 C ATOM 340 C ALA A 24 -4.006 -10.987 6.908 1.00 14.23 C ATOM 341 O ALA A 24 -3.681 -10.723 5.751 1.00 4.42 O ATOM 342 CB ALA A 24 -2.928 -10.342 9.095 1.00 13.44 C ATOM 0 H ALA A 24 -5.219 -9.707 9.594 1.00 61.44 H new ATOM 0 HA ALA A 24 -3.541 -9.004 7.537 1.00 42.14 H new ATOM 0 HB1 ALA A 24 -1.951 -10.536 8.653 1.00 13.44 H new ATOM 0 HB2 ALA A 24 -2.841 -9.544 9.832 1.00 13.44 H new ATOM 0 HB3 ALA A 24 -3.292 -11.247 9.582 1.00 13.44 H new ATOM 348 N ALA A 25 -4.487 -12.191 7.238 1.00 71.35 N ATOM 349 CA ALA A 25 -4.539 -13.284 6.263 1.00 5.41 C ATOM 350 C ALA A 25 -5.464 -13.007 5.064 1.00 52.43 C ATOM 351 O ALA A 25 -5.361 -13.689 4.046 1.00 61.23 O ATOM 352 CB ALA A 25 -4.965 -14.573 6.961 1.00 62.45 C ATOM 0 H ALA A 25 -4.842 -12.431 8.163 1.00 71.35 H new ATOM 0 HA ALA A 25 -3.533 -13.381 5.854 1.00 5.41 H new ATOM 0 HB1 ALA A 25 -5.003 -15.385 6.234 1.00 62.45 H new ATOM 0 HB2 ALA A 25 -4.246 -14.819 7.742 1.00 62.45 H new ATOM 0 HB3 ALA A 25 -5.951 -14.437 7.406 1.00 62.45 H new ATOM 358 N PHE A 26 -6.376 -12.034 5.157 1.00 30.22 N ATOM 359 CA PHE A 26 -7.292 -11.678 4.074 1.00 41.34 C ATOM 360 C PHE A 26 -6.649 -10.688 3.102 1.00 23.22 C ATOM 361 O PHE A 26 -6.974 -10.693 1.916 1.00 50.34 O ATOM 362 CB PHE A 26 -8.561 -11.070 4.670 1.00 11.00 C ATOM 363 CG PHE A 26 -9.733 -10.836 3.739 1.00 54.03 C ATOM 364 CD1 PHE A 26 -10.227 -11.877 2.929 1.00 63.45 C ATOM 365 CD2 PHE A 26 -10.406 -9.599 3.769 1.00 10.01 C ATOM 366 CE1 PHE A 26 -11.375 -11.676 2.143 1.00 22.54 C ATOM 367 CE2 PHE A 26 -11.570 -9.412 3.006 1.00 13.23 C ATOM 368 CZ PHE A 26 -12.057 -10.450 2.198 1.00 52.01 C ATOM 0 H PHE A 26 -6.499 -11.467 5.996 1.00 30.22 H new ATOM 0 HA PHE A 26 -7.536 -12.582 3.516 1.00 41.34 H new ATOM 0 HB2 PHE A 26 -8.898 -11.721 5.477 1.00 11.00 H new ATOM 0 HB3 PHE A 26 -8.295 -10.114 5.122 1.00 11.00 H new ATOM 0 HD1 PHE A 26 -9.723 -12.832 2.912 1.00 63.45 H new ATOM 0 HD2 PHE A 26 -10.026 -8.793 4.380 1.00 10.01 H new ATOM 0 HE1 PHE A 26 -11.732 -12.464 1.497 1.00 22.54 H new ATOM 0 HE2 PHE A 26 -12.091 -8.467 3.041 1.00 13.23 H new ATOM 0 HZ PHE A 26 -12.957 -10.306 1.618 1.00 52.01 H new ATOM 378 N GLN A 27 -5.707 -9.865 3.573 1.00 70.15 N ATOM 379 CA GLN A 27 -5.074 -8.827 2.770 1.00 23.10 C ATOM 380 C GLN A 27 -4.510 -9.419 1.466 1.00 5.53 C ATOM 381 O GLN A 27 -4.770 -8.903 0.374 1.00 62.44 O ATOM 382 CB GLN A 27 -4.007 -8.119 3.629 1.00 5.41 C ATOM 383 CG GLN A 27 -4.246 -6.611 3.746 1.00 71.14 C ATOM 384 CD GLN A 27 -3.308 -5.992 4.779 1.00 53.42 C ATOM 385 OE1 GLN A 27 -2.092 -6.099 4.655 1.00 62.45 O ATOM 386 NE2 GLN A 27 -3.860 -5.378 5.810 1.00 41.12 N ATOM 0 H GLN A 27 -5.363 -9.905 4.532 1.00 70.15 H new ATOM 0 HA GLN A 27 -5.806 -8.079 2.464 1.00 23.10 H new ATOM 0 HB2 GLN A 27 -3.999 -8.560 4.626 1.00 5.41 H new ATOM 0 HB3 GLN A 27 -3.023 -8.294 3.195 1.00 5.41 H new ATOM 0 HG2 GLN A 27 -4.090 -6.137 2.777 1.00 71.14 H new ATOM 0 HG3 GLN A 27 -5.282 -6.423 4.030 1.00 71.14 H new ATOM 0 HE21 GLN A 27 -4.875 -5.309 5.879 1.00 41.12 H new ATOM 0 HE22 GLN A 27 -3.271 -4.973 6.538 1.00 41.12 H new ATOM 395 N TYR A 28 -3.802 -10.548 1.572 1.00 30.12 N ATOM 396 CA TYR A 28 -3.127 -11.227 0.467 1.00 14.43 C ATOM 397 C TYR A 28 -4.089 -11.734 -0.623 1.00 54.13 C ATOM 398 O TYR A 28 -3.719 -11.743 -1.802 1.00 3.53 O ATOM 399 CB TYR A 28 -2.308 -12.403 1.016 1.00 1.30 C ATOM 400 CG TYR A 28 -1.371 -12.069 2.160 1.00 11.32 C ATOM 401 CD1 TYR A 28 -0.051 -11.647 1.913 1.00 41.52 C ATOM 402 CD2 TYR A 28 -1.817 -12.224 3.486 1.00 3.31 C ATOM 403 CE1 TYR A 28 0.816 -11.373 2.985 1.00 21.43 C ATOM 404 CE2 TYR A 28 -0.964 -11.928 4.560 1.00 13.14 C ATOM 405 CZ TYR A 28 0.351 -11.484 4.314 1.00 23.12 C ATOM 406 OH TYR A 28 1.162 -11.185 5.362 1.00 43.45 O ATOM 0 H TYR A 28 -3.680 -11.030 2.463 1.00 30.12 H new ATOM 0 HA TYR A 28 -2.480 -10.489 -0.007 1.00 14.43 H new ATOM 0 HB2 TYR A 28 -2.997 -13.179 1.349 1.00 1.30 H new ATOM 0 HB3 TYR A 28 -1.721 -12.826 0.201 1.00 1.30 H new ATOM 0 HD1 TYR A 28 0.297 -11.533 0.897 1.00 41.52 H new ATOM 0 HD2 TYR A 28 -2.821 -12.573 3.678 1.00 3.31 H new ATOM 0 HE1 TYR A 28 1.837 -11.078 2.793 1.00 21.43 H new ATOM 0 HE2 TYR A 28 -1.315 -12.040 5.575 1.00 13.14 H new ATOM 0 HH TYR A 28 1.805 -10.497 5.092 1.00 43.45 H new ATOM 416 N THR A 29 -5.326 -12.131 -0.294 1.00 5.51 N ATOM 417 CA THR A 29 -6.302 -12.640 -1.268 1.00 21.41 C ATOM 418 C THR A 29 -7.008 -11.487 -2.014 1.00 54.53 C ATOM 419 O THR A 29 -7.831 -11.729 -2.899 1.00 65.35 O ATOM 420 CB THR A 29 -7.221 -13.718 -0.620 1.00 53.51 C ATOM 421 OG1 THR A 29 -8.296 -14.154 -1.435 1.00 1.54 O ATOM 422 CG2 THR A 29 -7.838 -13.334 0.722 1.00 63.33 C ATOM 0 H THR A 29 -5.680 -12.108 0.662 1.00 5.51 H new ATOM 0 HA THR A 29 -5.789 -13.177 -2.066 1.00 21.41 H new ATOM 0 HB THR A 29 -6.498 -14.521 -0.479 1.00 53.51 H new ATOM 0 HG1 THR A 29 -8.447 -13.504 -2.152 1.00 1.54 H new ATOM 0 HG21 THR A 29 -8.459 -14.153 1.085 1.00 63.33 H new ATOM 0 HG22 THR A 29 -7.045 -13.133 1.443 1.00 63.33 H new ATOM 0 HG23 THR A 29 -8.451 -12.441 0.598 1.00 63.33 H new ATOM 430 N ARG A 30 -6.692 -10.215 -1.733 1.00 11.54 N ATOM 431 CA ARG A 30 -7.470 -9.074 -2.216 1.00 2.42 C ATOM 432 C ARG A 30 -6.589 -8.001 -2.827 1.00 44.43 C ATOM 433 O ARG A 30 -6.684 -6.819 -2.512 1.00 13.40 O ATOM 434 CB ARG A 30 -8.355 -8.581 -1.067 1.00 51.32 C ATOM 435 CG ARG A 30 -9.769 -9.158 -1.209 1.00 42.13 C ATOM 436 CD ARG A 30 -10.660 -8.617 -0.100 1.00 41.34 C ATOM 437 NE ARG A 30 -10.697 -7.151 -0.138 1.00 62.44 N ATOM 438 CZ ARG A 30 -10.170 -6.324 0.766 1.00 41.33 C ATOM 439 NH1 ARG A 30 -9.565 -6.785 1.860 1.00 3.42 N ATOM 440 NH2 ARG A 30 -10.227 -5.023 0.536 1.00 4.34 N ATOM 0 H ARG A 30 -5.888 -9.952 -1.163 1.00 11.54 H new ATOM 0 HA ARG A 30 -8.119 -9.377 -3.038 1.00 2.42 H new ATOM 0 HB2 ARG A 30 -7.925 -8.881 -0.111 1.00 51.32 H new ATOM 0 HB3 ARG A 30 -8.396 -7.492 -1.070 1.00 51.32 H new ATOM 0 HG2 ARG A 30 -10.183 -8.894 -2.182 1.00 42.13 H new ATOM 0 HG3 ARG A 30 -9.734 -10.246 -1.162 1.00 42.13 H new ATOM 0 HD2 ARG A 30 -11.669 -9.015 -0.210 1.00 41.34 H new ATOM 0 HD3 ARG A 30 -10.289 -8.952 0.869 1.00 41.34 H new ATOM 0 HE ARG A 30 -11.172 -6.723 -0.933 1.00 62.44 H new ATOM 0 HH11 ARG A 30 -9.497 -7.790 2.020 1.00 3.42 H new ATOM 0 HH12 ARG A 30 -9.169 -6.133 2.537 1.00 3.42 H new ATOM 0 HH21 ARG A 30 -10.666 -4.674 -0.316 1.00 4.34 H new ATOM 0 HH22 ARG A 30 -9.832 -4.368 1.211 1.00 4.34 H new ATOM 454 N VAL A 31 -5.717 -8.402 -3.741 1.00 21.42 N ATOM 455 CA VAL A 31 -4.799 -7.510 -4.412 1.00 10.22 C ATOM 456 C VAL A 31 -4.506 -7.990 -5.840 1.00 43.45 C ATOM 457 O VAL A 31 -4.643 -9.184 -6.126 1.00 32.11 O ATOM 458 CB VAL A 31 -3.635 -7.287 -3.430 1.00 1.43 C ATOM 459 CG1 VAL A 31 -3.085 -8.509 -2.690 1.00 21.22 C ATOM 460 CG2 VAL A 31 -2.481 -6.604 -4.133 1.00 51.51 C ATOM 0 H VAL A 31 -5.631 -9.374 -4.038 1.00 21.42 H new ATOM 0 HA VAL A 31 -5.193 -6.517 -4.629 1.00 10.22 H new ATOM 0 HB VAL A 31 -4.092 -6.671 -2.655 1.00 1.43 H new ATOM 0 HG11 VAL A 31 -2.270 -8.201 -2.034 1.00 21.22 H new ATOM 0 HG12 VAL A 31 -3.878 -8.962 -2.095 1.00 21.22 H new ATOM 0 HG13 VAL A 31 -2.714 -9.236 -3.413 1.00 21.22 H new ATOM 0 HG21 VAL A 31 -1.664 -6.452 -3.428 1.00 51.51 H new ATOM 0 HG22 VAL A 31 -2.137 -7.228 -4.958 1.00 51.51 H new ATOM 0 HG23 VAL A 31 -2.810 -5.640 -4.520 1.00 51.51 H new ATOM 470 N LYS A 32 -4.200 -7.061 -6.757 1.00 31.31 N ATOM 471 CA LYS A 32 -3.851 -7.327 -8.159 1.00 4.31 C ATOM 472 C LYS A 32 -2.330 -7.169 -8.319 1.00 24.33 C ATOM 473 O LYS A 32 -1.660 -6.655 -7.418 1.00 24.40 O ATOM 474 CB LYS A 32 -4.599 -6.350 -9.082 1.00 32.24 C ATOM 475 CG LYS A 32 -6.133 -6.506 -9.080 1.00 25.22 C ATOM 476 CD LYS A 32 -6.699 -7.415 -10.185 1.00 23.11 C ATOM 477 CE LYS A 32 -8.226 -7.241 -10.293 1.00 21.23 C ATOM 478 NZ LYS A 32 -8.844 -8.107 -11.323 1.00 33.41 N ATOM 0 H LYS A 32 -4.189 -6.066 -6.533 1.00 31.31 H new ATOM 0 HA LYS A 32 -4.144 -8.340 -8.435 1.00 4.31 H new ATOM 0 HB2 LYS A 32 -4.351 -5.331 -8.786 1.00 32.24 H new ATOM 0 HB3 LYS A 32 -4.235 -6.484 -10.101 1.00 32.24 H new ATOM 0 HG2 LYS A 32 -6.441 -6.902 -8.112 1.00 25.22 H new ATOM 0 HG3 LYS A 32 -6.583 -5.518 -9.178 1.00 25.22 H new ATOM 0 HD2 LYS A 32 -6.231 -7.173 -11.139 1.00 23.11 H new ATOM 0 HD3 LYS A 32 -6.460 -8.456 -9.967 1.00 23.11 H new ATOM 0 HE2 LYS A 32 -8.679 -7.459 -9.326 1.00 21.23 H new ATOM 0 HE3 LYS A 32 -8.450 -6.199 -10.522 1.00 21.23 H new ATOM 0 HZ1 LYS A 32 -9.871 -7.942 -11.345 1.00 33.41 H new ATOM 0 HZ2 LYS A 32 -8.437 -7.884 -12.254 1.00 33.41 H new ATOM 0 HZ3 LYS A 32 -8.659 -9.105 -11.095 1.00 33.41 H new ATOM 492 N PHE A 33 -1.766 -7.624 -9.437 1.00 10.23 N ATOM 493 CA PHE A 33 -0.346 -7.517 -9.765 1.00 2.12 C ATOM 494 C PHE A 33 -0.171 -7.528 -11.294 1.00 33.33 C ATOM 495 O PHE A 33 -1.000 -8.137 -11.979 1.00 64.42 O ATOM 496 CB PHE A 33 0.417 -8.730 -9.212 1.00 70.05 C ATOM 497 CG PHE A 33 0.471 -8.901 -7.709 1.00 63.05 C ATOM 498 CD1 PHE A 33 1.408 -8.181 -6.946 1.00 34.00 C ATOM 499 CD2 PHE A 33 -0.395 -9.810 -7.070 1.00 65.04 C ATOM 500 CE1 PHE A 33 1.510 -8.416 -5.566 1.00 31.40 C ATOM 501 CE2 PHE A 33 -0.316 -10.001 -5.680 1.00 32.23 C ATOM 502 CZ PHE A 33 0.648 -9.316 -4.926 1.00 24.34 C ATOM 0 H PHE A 33 -2.305 -8.094 -10.165 1.00 10.23 H new ATOM 0 HA PHE A 33 0.037 -6.594 -9.331 1.00 2.12 H new ATOM 0 HB2 PHE A 33 -0.030 -9.629 -9.636 1.00 70.05 H new ATOM 0 HB3 PHE A 33 1.441 -8.679 -9.581 1.00 70.05 H new ATOM 0 HD1 PHE A 33 2.046 -7.450 -7.420 1.00 34.00 H new ATOM 0 HD2 PHE A 33 -1.121 -10.361 -7.649 1.00 65.04 H new ATOM 0 HE1 PHE A 33 2.262 -7.897 -4.991 1.00 31.40 H new ATOM 0 HE2 PHE A 33 -1.000 -10.678 -5.190 1.00 32.23 H new ATOM 0 HZ PHE A 33 0.725 -9.481 -3.861 1.00 24.34 H new ATOM 512 N PRO A 34 0.944 -7.005 -11.845 1.00 72.25 N ATOM 513 CA PRO A 34 1.965 -6.220 -11.156 1.00 65.34 C ATOM 514 C PRO A 34 1.416 -4.841 -10.774 1.00 54.22 C ATOM 515 O PRO A 34 0.274 -4.513 -11.093 1.00 42.14 O ATOM 516 CB PRO A 34 3.128 -6.131 -12.147 1.00 2.42 C ATOM 517 CG PRO A 34 2.421 -6.105 -13.497 1.00 70.35 C ATOM 518 CD PRO A 34 1.240 -7.048 -13.272 1.00 64.31 C ATOM 0 HA PRO A 34 2.286 -6.673 -10.218 1.00 65.34 H new ATOM 0 HB2 PRO A 34 3.728 -5.235 -11.987 1.00 2.42 H new ATOM 0 HB3 PRO A 34 3.800 -6.984 -12.059 1.00 2.42 H new ATOM 0 HG2 PRO A 34 2.093 -5.100 -13.764 1.00 70.35 H new ATOM 0 HG3 PRO A 34 3.070 -6.452 -14.301 1.00 70.35 H new ATOM 0 HD2 PRO A 34 0.376 -6.734 -13.857 1.00 64.31 H new ATOM 0 HD3 PRO A 34 1.487 -8.062 -13.587 1.00 64.31 H new ATOM 526 N LEU A 35 2.202 -4.048 -10.052 1.00 73.12 N ATOM 527 CA LEU A 35 1.737 -2.805 -9.448 1.00 4.30 C ATOM 528 C LEU A 35 2.302 -1.587 -10.161 1.00 21.01 C ATOM 529 O LEU A 35 3.241 -1.716 -10.955 1.00 73.44 O ATOM 530 CB LEU A 35 2.156 -2.789 -7.978 1.00 45.33 C ATOM 531 CG LEU A 35 1.345 -3.726 -7.071 1.00 51.25 C ATOM 532 CD1 LEU A 35 1.835 -3.525 -5.652 1.00 73.34 C ATOM 533 CD2 LEU A 35 -0.161 -3.496 -7.207 1.00 32.03 C ATOM 0 H LEU A 35 3.185 -4.251 -9.869 1.00 73.12 H new ATOM 0 HA LEU A 35 0.652 -2.759 -9.536 1.00 4.30 H new ATOM 0 HB2 LEU A 35 3.209 -3.062 -7.911 1.00 45.33 H new ATOM 0 HB3 LEU A 35 2.066 -1.771 -7.599 1.00 45.33 H new ATOM 0 HG LEU A 35 1.499 -4.763 -7.370 1.00 51.25 H new ATOM 0 HD11 LEU A 35 1.278 -4.177 -4.979 1.00 73.34 H new ATOM 0 HD12 LEU A 35 2.896 -3.766 -5.596 1.00 73.34 H new ATOM 0 HD13 LEU A 35 1.683 -2.486 -5.358 1.00 73.34 H new ATOM 0 HD21 LEU A 35 -0.695 -4.180 -6.548 1.00 32.03 H new ATOM 0 HD22 LEU A 35 -0.398 -2.468 -6.932 1.00 32.03 H new ATOM 0 HD23 LEU A 35 -0.465 -3.675 -8.238 1.00 32.03 H new ATOM 545 N LYS A 36 1.734 -0.412 -9.858 1.00 64.01 N ATOM 546 CA LYS A 36 2.093 0.842 -10.536 1.00 32.13 C ATOM 547 C LYS A 36 3.558 1.139 -10.355 1.00 21.01 C ATOM 548 O LYS A 36 4.304 1.129 -11.332 1.00 64.31 O ATOM 549 CB LYS A 36 1.291 2.057 -10.056 1.00 62.04 C ATOM 550 CG LYS A 36 -0.194 1.812 -9.914 1.00 31.41 C ATOM 551 CD LYS A 36 -0.851 1.138 -11.123 1.00 32.24 C ATOM 552 CE LYS A 36 -2.348 1.189 -10.864 1.00 53.54 C ATOM 553 NZ LYS A 36 -3.134 0.524 -11.915 1.00 61.42 N ATOM 0 H LYS A 36 1.017 -0.303 -9.141 1.00 64.01 H new ATOM 0 HA LYS A 36 1.852 0.681 -11.587 1.00 32.13 H new ATOM 0 HB2 LYS A 36 1.687 2.380 -9.093 1.00 62.04 H new ATOM 0 HB3 LYS A 36 1.446 2.878 -10.756 1.00 62.04 H new ATOM 0 HG2 LYS A 36 -0.363 1.192 -9.033 1.00 31.41 H new ATOM 0 HG3 LYS A 36 -0.690 2.766 -9.733 1.00 31.41 H new ATOM 0 HD2 LYS A 36 -0.596 1.658 -12.047 1.00 32.24 H new ATOM 0 HD3 LYS A 36 -0.508 0.109 -11.231 1.00 32.24 H new ATOM 0 HE2 LYS A 36 -2.562 0.718 -9.905 1.00 53.54 H new ATOM 0 HE3 LYS A 36 -2.663 2.230 -10.785 1.00 53.54 H new ATOM 0 HZ1 LYS A 36 -4.146 0.590 -11.686 1.00 61.42 H new ATOM 0 HZ2 LYS A 36 -2.955 0.988 -12.828 1.00 61.42 H new ATOM 0 HZ3 LYS A 36 -2.857 -0.477 -11.975 1.00 61.42 H new ATOM 567 N THR A 37 3.967 1.357 -9.111 1.00 12.14 N ATOM 568 CA THR A 37 5.339 1.681 -8.787 1.00 32.32 C ATOM 569 C THR A 37 5.935 0.462 -8.071 1.00 53.52 C ATOM 570 O THR A 37 5.840 0.340 -6.851 1.00 32.10 O ATOM 571 CB THR A 37 5.429 3.051 -8.098 1.00 61.14 C ATOM 572 OG1 THR A 37 6.794 3.347 -7.927 1.00 13.12 O ATOM 573 CG2 THR A 37 4.672 3.211 -6.776 1.00 45.31 C ATOM 0 H THR A 37 3.350 1.312 -8.300 1.00 12.14 H new ATOM 0 HA THR A 37 5.972 1.841 -9.660 1.00 32.32 H new ATOM 0 HB THR A 37 4.919 3.757 -8.754 1.00 61.14 H new ATOM 0 HG1 THR A 37 6.887 4.219 -7.489 1.00 13.12 H new ATOM 0 HG21 THR A 37 4.816 4.222 -6.394 1.00 45.31 H new ATOM 0 HG22 THR A 37 3.609 3.034 -6.942 1.00 45.31 H new ATOM 0 HG23 THR A 37 5.051 2.491 -6.050 1.00 45.31 H new ATOM 581 N PRO A 38 6.454 -0.535 -8.818 1.00 63.43 N ATOM 582 CA PRO A 38 7.109 -1.690 -8.219 1.00 22.04 C ATOM 583 C PRO A 38 8.408 -1.239 -7.524 1.00 70.02 C ATOM 584 O PRO A 38 8.714 -0.052 -7.470 1.00 1.50 O ATOM 585 CB PRO A 38 7.348 -2.655 -9.383 1.00 51.32 C ATOM 586 CG PRO A 38 7.597 -1.704 -10.544 1.00 31.34 C ATOM 587 CD PRO A 38 6.617 -0.575 -10.265 1.00 44.54 C ATOM 0 HA PRO A 38 6.518 -2.179 -7.445 1.00 22.04 H new ATOM 0 HB2 PRO A 38 8.202 -3.308 -9.202 1.00 51.32 H new ATOM 0 HB3 PRO A 38 6.487 -3.299 -9.562 1.00 51.32 H new ATOM 0 HG2 PRO A 38 8.628 -1.350 -10.564 1.00 31.34 H new ATOM 0 HG3 PRO A 38 7.404 -2.179 -11.506 1.00 31.34 H new ATOM 0 HD2 PRO A 38 6.998 0.374 -10.641 1.00 44.54 H new ATOM 0 HD3 PRO A 38 5.663 -0.755 -10.761 1.00 44.54 H new ATOM 595 N ILE A 39 9.192 -2.207 -7.039 1.00 23.13 N ATOM 596 CA ILE A 39 10.415 -1.991 -6.254 1.00 54.12 C ATOM 597 C ILE A 39 11.290 -0.887 -6.877 1.00 65.21 C ATOM 598 O ILE A 39 11.563 0.127 -6.242 1.00 62.44 O ATOM 599 CB ILE A 39 11.184 -3.328 -6.095 1.00 34.33 C ATOM 600 CG1 ILE A 39 10.248 -4.502 -5.718 1.00 70.21 C ATOM 601 CG2 ILE A 39 12.339 -3.197 -5.090 1.00 54.12 C ATOM 602 CD1 ILE A 39 10.994 -5.782 -5.334 1.00 2.53 C ATOM 0 H ILE A 39 8.987 -3.195 -7.186 1.00 23.13 H new ATOM 0 HA ILE A 39 10.139 -1.643 -5.259 1.00 54.12 H new ATOM 0 HB ILE A 39 11.612 -3.560 -7.070 1.00 34.33 H new ATOM 0 HG12 ILE A 39 9.614 -4.197 -4.885 1.00 70.21 H new ATOM 0 HG13 ILE A 39 9.589 -4.714 -6.559 1.00 70.21 H new ATOM 0 HG21 ILE A 39 12.856 -4.153 -5.003 1.00 54.12 H new ATOM 0 HG22 ILE A 39 13.038 -2.436 -5.437 1.00 54.12 H new ATOM 0 HG23 ILE A 39 11.943 -2.909 -4.116 1.00 54.12 H new ATOM 0 HD11 ILE A 39 10.274 -6.561 -5.082 1.00 2.53 H new ATOM 0 HD12 ILE A 39 11.607 -6.112 -6.173 1.00 2.53 H new ATOM 0 HD13 ILE A 39 11.633 -5.586 -4.473 1.00 2.53 H new ATOM 614 N THR A 40 11.698 -1.084 -8.132 1.00 74.02 N ATOM 615 CA THR A 40 12.570 -0.187 -8.878 1.00 5.33 C ATOM 616 C THR A 40 13.806 0.193 -8.057 1.00 22.41 C ATOM 617 O THR A 40 13.915 1.280 -7.482 1.00 64.34 O ATOM 618 CB THR A 40 11.780 1.018 -9.397 1.00 5.33 C ATOM 619 OG1 THR A 40 10.509 0.611 -9.864 1.00 10.22 O ATOM 620 CG2 THR A 40 12.507 1.694 -10.563 1.00 31.42 C ATOM 0 H THR A 40 11.418 -1.903 -8.672 1.00 74.02 H new ATOM 0 HA THR A 40 12.951 -0.706 -9.757 1.00 5.33 H new ATOM 0 HB THR A 40 11.679 1.717 -8.566 1.00 5.33 H new ATOM 0 HG1 THR A 40 9.891 1.371 -9.835 1.00 10.22 H new ATOM 0 HG21 THR A 40 11.923 2.546 -10.911 1.00 31.42 H new ATOM 0 HG22 THR A 40 13.487 2.037 -10.231 1.00 31.42 H new ATOM 0 HG23 THR A 40 12.629 0.981 -11.378 1.00 31.42 H new ATOM 628 N LEU A 41 14.760 -0.733 -8.022 1.00 32.43 N ATOM 629 CA LEU A 41 16.026 -0.577 -7.325 1.00 33.24 C ATOM 630 C LEU A 41 17.157 -0.435 -8.330 1.00 31.30 C ATOM 631 O LEU A 41 17.027 -0.825 -9.498 1.00 24.41 O ATOM 632 CB LEU A 41 16.227 -1.678 -6.272 1.00 51.14 C ATOM 633 CG LEU A 41 15.839 -3.109 -6.682 1.00 64.21 C ATOM 634 CD1 LEU A 41 16.557 -3.609 -7.938 1.00 64.22 C ATOM 635 CD2 LEU A 41 16.083 -4.034 -5.487 1.00 10.54 C ATOM 0 H LEU A 41 14.668 -1.634 -8.491 1.00 32.43 H new ATOM 0 HA LEU A 41 16.021 0.348 -6.748 1.00 33.24 H new ATOM 0 HB2 LEU A 41 17.277 -1.681 -5.980 1.00 51.14 H new ATOM 0 HB3 LEU A 41 15.651 -1.410 -5.386 1.00 51.14 H new ATOM 0 HG LEU A 41 14.783 -3.108 -6.954 1.00 64.21 H new ATOM 0 HD11 LEU A 41 16.231 -4.625 -8.163 1.00 64.22 H new ATOM 0 HD12 LEU A 41 16.318 -2.957 -8.778 1.00 64.22 H new ATOM 0 HD13 LEU A 41 17.634 -3.602 -7.768 1.00 64.22 H new ATOM 0 HD21 LEU A 41 15.814 -5.055 -5.757 1.00 10.54 H new ATOM 0 HD22 LEU A 41 17.136 -3.998 -5.208 1.00 10.54 H new ATOM 0 HD23 LEU A 41 15.473 -3.708 -4.644 1.00 10.54 H new ATOM 647 N LEU A 42 18.244 0.174 -7.862 1.00 12.24 N ATOM 648 CA LEU A 42 19.336 0.589 -8.714 1.00 62.35 C ATOM 649 C LEU A 42 20.181 -0.633 -9.031 1.00 33.31 C ATOM 650 O LEU A 42 20.718 -1.261 -8.120 1.00 53.35 O ATOM 651 CB LEU A 42 20.163 1.708 -8.050 1.00 22.44 C ATOM 652 CG LEU A 42 20.377 2.931 -8.957 1.00 4.43 C ATOM 653 CD1 LEU A 42 21.002 2.550 -10.297 1.00 50.53 C ATOM 654 CD2 LEU A 42 19.090 3.715 -9.230 1.00 14.30 C ATOM 0 H LEU A 42 18.385 0.391 -6.875 1.00 12.24 H new ATOM 0 HA LEU A 42 18.950 1.008 -9.643 1.00 62.35 H new ATOM 0 HB2 LEU A 42 19.662 2.026 -7.136 1.00 22.44 H new ATOM 0 HB3 LEU A 42 21.134 1.307 -7.758 1.00 22.44 H new ATOM 0 HG LEU A 42 21.061 3.570 -8.398 1.00 4.43 H new ATOM 0 HD11 LEU A 42 21.134 3.445 -10.904 1.00 50.53 H new ATOM 0 HD12 LEU A 42 21.971 2.081 -10.126 1.00 50.53 H new ATOM 0 HD13 LEU A 42 20.347 1.852 -10.818 1.00 50.53 H new ATOM 0 HD21 LEU A 42 19.312 4.565 -9.876 1.00 14.30 H new ATOM 0 HD22 LEU A 42 18.365 3.065 -9.721 1.00 14.30 H new ATOM 0 HD23 LEU A 42 18.676 4.074 -8.288 1.00 14.30 H new ATOM 666 N ALA A 43 20.246 -0.997 -10.307 1.00 21.01 N ATOM 667 CA ALA A 43 20.979 -2.143 -10.807 1.00 45.54 C ATOM 668 C ALA A 43 22.461 -2.069 -10.454 1.00 63.01 C ATOM 669 O ALA A 43 22.988 -1.005 -10.133 1.00 62.05 O ATOM 670 CB ALA A 43 20.830 -2.164 -12.328 1.00 72.22 C ATOM 0 H ALA A 43 19.770 -0.479 -11.045 1.00 21.01 H new ATOM 0 HA ALA A 43 20.576 -3.046 -10.349 1.00 45.54 H new ATOM 0 HB1 ALA A 43 21.372 -3.018 -12.735 1.00 72.22 H new ATOM 0 HB2 ALA A 43 19.775 -2.246 -12.589 1.00 72.22 H new ATOM 0 HB3 ALA A 43 21.236 -1.243 -12.746 1.00 72.22 H new ATOM 676 N ASP A 44 23.161 -3.178 -10.704 1.00 14.52 N ATOM 677 CA ASP A 44 24.617 -3.309 -10.598 1.00 14.22 C ATOM 678 C ASP A 44 25.363 -2.300 -11.495 1.00 44.21 C ATOM 679 O ASP A 44 26.582 -2.158 -11.394 1.00 70.31 O ATOM 680 CB ASP A 44 25.030 -4.738 -10.997 1.00 4.32 C ATOM 681 CG ASP A 44 24.631 -5.831 -10.010 1.00 61.24 C ATOM 682 OD1 ASP A 44 23.510 -6.377 -10.139 1.00 34.34 O ATOM 683 OD2 ASP A 44 25.481 -6.195 -9.162 1.00 64.34 O ATOM 0 H ASP A 44 22.711 -4.045 -10.998 1.00 14.52 H new ATOM 0 HA ASP A 44 24.891 -3.100 -9.564 1.00 14.22 H new ATOM 0 HB2 ASP A 44 24.589 -4.969 -11.967 1.00 4.32 H new ATOM 0 HB3 ASP A 44 26.112 -4.764 -11.124 1.00 4.32 H new ATOM 688 N ASP A 45 24.660 -1.618 -12.405 1.00 21.03 N ATOM 689 CA ASP A 45 25.187 -0.546 -13.250 1.00 41.45 C ATOM 690 C ASP A 45 25.445 0.729 -12.443 1.00 31.44 C ATOM 691 O ASP A 45 26.347 1.501 -12.769 1.00 13.23 O ATOM 692 CB ASP A 45 24.220 -0.173 -14.363 1.00 51.35 C ATOM 693 CG ASP A 45 23.932 -1.222 -15.434 1.00 70.01 C ATOM 694 OD1 ASP A 45 24.363 -2.395 -15.315 1.00 34.43 O ATOM 695 OD2 ASP A 45 23.160 -0.892 -16.361 1.00 11.24 O ATOM 0 H ASP A 45 23.672 -1.806 -12.578 1.00 21.03 H new ATOM 0 HA ASP A 45 26.116 -0.934 -13.668 1.00 41.45 H new ATOM 0 HB2 ASP A 45 23.272 0.106 -13.904 1.00 51.35 H new ATOM 0 HB3 ASP A 45 24.608 0.716 -14.860 1.00 51.35 H new ATOM 700 N GLY A 46 24.620 1.010 -11.432 1.00 22.13 N ATOM 701 CA GLY A 46 24.632 2.251 -10.662 1.00 24.42 C ATOM 702 C GLY A 46 23.940 3.442 -11.338 1.00 63.45 C ATOM 703 O GLY A 46 23.809 4.483 -10.708 1.00 41.22 O ATOM 0 H GLY A 46 23.902 0.357 -11.118 1.00 22.13 H new ATOM 0 HA2 GLY A 46 24.151 2.069 -9.701 1.00 24.42 H new ATOM 0 HA3 GLY A 46 25.667 2.522 -10.454 1.00 24.42 H new ATOM 707 N GLU A 47 23.454 3.303 -12.580 1.00 11.40 N ATOM 708 CA GLU A 47 22.682 4.326 -13.303 1.00 60.23 C ATOM 709 C GLU A 47 21.388 3.758 -13.917 1.00 71.44 C ATOM 710 O GLU A 47 20.755 4.409 -14.753 1.00 3.23 O ATOM 711 CB GLU A 47 23.578 4.923 -14.397 1.00 42.13 C ATOM 712 CG GLU A 47 24.464 6.064 -13.898 1.00 33.30 C ATOM 713 CD GLU A 47 23.758 7.411 -14.089 1.00 2.44 C ATOM 714 OE1 GLU A 47 23.748 7.928 -15.232 1.00 64.15 O ATOM 715 OE2 GLU A 47 23.148 7.911 -13.116 1.00 41.12 O ATOM 0 H GLU A 47 23.591 2.452 -13.125 1.00 11.40 H new ATOM 0 HA GLU A 47 22.375 5.096 -12.595 1.00 60.23 H new ATOM 0 HB2 GLU A 47 24.209 4.136 -14.809 1.00 42.13 H new ATOM 0 HB3 GLU A 47 22.951 5.288 -15.211 1.00 42.13 H new ATOM 0 HG2 GLU A 47 24.700 5.916 -12.844 1.00 33.30 H new ATOM 0 HG3 GLU A 47 25.410 6.062 -14.439 1.00 33.30 H new ATOM 722 N THR A 48 20.995 2.534 -13.564 1.00 20.20 N ATOM 723 CA THR A 48 19.926 1.799 -14.229 1.00 4.53 C ATOM 724 C THR A 48 18.880 1.381 -13.191 1.00 61.41 C ATOM 725 O THR A 48 19.061 0.400 -12.476 1.00 25.02 O ATOM 726 CB THR A 48 20.542 0.631 -15.020 1.00 70.44 C ATOM 727 OG1 THR A 48 21.470 1.096 -15.983 1.00 50.31 O ATOM 728 CG2 THR A 48 19.477 -0.193 -15.735 1.00 34.30 C ATOM 0 H THR A 48 21.420 2.019 -12.793 1.00 20.20 H new ATOM 0 HA THR A 48 19.398 2.417 -14.955 1.00 4.53 H new ATOM 0 HB THR A 48 21.052 0.002 -14.290 1.00 70.44 H new ATOM 0 HG1 THR A 48 22.121 0.390 -16.177 1.00 50.31 H new ATOM 0 HG21 THR A 48 19.953 -1.007 -16.282 1.00 34.30 H new ATOM 0 HG22 THR A 48 18.783 -0.605 -15.002 1.00 34.30 H new ATOM 0 HG23 THR A 48 18.933 0.443 -16.433 1.00 34.30 H new ATOM 736 N GLU A 49 17.785 2.131 -13.102 1.00 30.44 N ATOM 737 CA GLU A 49 16.567 1.735 -12.400 1.00 42.41 C ATOM 738 C GLU A 49 16.059 0.450 -13.067 1.00 22.34 C ATOM 739 O GLU A 49 15.819 0.459 -14.281 1.00 13.50 O ATOM 740 CB GLU A 49 15.504 2.834 -12.591 1.00 51.33 C ATOM 741 CG GLU A 49 15.710 4.146 -11.815 1.00 74.05 C ATOM 742 CD GLU A 49 15.413 5.363 -12.699 1.00 0.31 C ATOM 743 OE1 GLU A 49 14.218 5.653 -12.958 1.00 62.42 O ATOM 744 OE2 GLU A 49 16.371 5.990 -13.219 1.00 2.12 O ATOM 0 H GLU A 49 17.718 3.056 -13.527 1.00 30.44 H new ATOM 0 HA GLU A 49 16.758 1.585 -11.337 1.00 42.41 H new ATOM 0 HB2 GLU A 49 15.451 3.073 -13.653 1.00 51.33 H new ATOM 0 HB3 GLU A 49 14.535 2.422 -12.308 1.00 51.33 H new ATOM 0 HG2 GLU A 49 15.060 4.161 -10.940 1.00 74.05 H new ATOM 0 HG3 GLU A 49 16.736 4.199 -11.450 1.00 74.05 H new ATOM 751 N LYS A 50 15.873 -0.643 -12.317 1.00 30.24 N ATOM 752 CA LYS A 50 15.253 -1.869 -12.831 1.00 63.12 C ATOM 753 C LYS A 50 14.062 -2.221 -11.966 1.00 43.23 C ATOM 754 O LYS A 50 14.194 -2.469 -10.764 1.00 42.43 O ATOM 755 CB LYS A 50 16.260 -3.029 -12.908 1.00 72.44 C ATOM 756 CG LYS A 50 17.228 -2.843 -14.090 1.00 64.11 C ATOM 757 CD LYS A 50 17.117 -3.870 -15.233 1.00 45.34 C ATOM 758 CE LYS A 50 18.330 -4.819 -15.221 1.00 52.12 C ATOM 759 NZ LYS A 50 18.948 -5.024 -16.545 1.00 33.40 N ATOM 0 H LYS A 50 16.148 -0.702 -11.337 1.00 30.24 H new ATOM 0 HA LYS A 50 14.913 -1.692 -13.851 1.00 63.12 H new ATOM 0 HB2 LYS A 50 16.824 -3.088 -11.977 1.00 72.44 H new ATOM 0 HB3 LYS A 50 15.725 -3.973 -13.016 1.00 72.44 H new ATOM 0 HG2 LYS A 50 17.071 -1.849 -14.508 1.00 64.11 H new ATOM 0 HG3 LYS A 50 18.247 -2.869 -13.705 1.00 64.11 H new ATOM 0 HD2 LYS A 50 16.197 -4.444 -15.126 1.00 45.34 H new ATOM 0 HD3 LYS A 50 17.061 -3.353 -16.191 1.00 45.34 H new ATOM 0 HE2 LYS A 50 19.082 -4.422 -14.539 1.00 52.12 H new ATOM 0 HE3 LYS A 50 18.018 -5.785 -14.824 1.00 52.12 H new ATOM 0 HZ1 LYS A 50 19.756 -5.673 -16.454 1.00 33.40 H new ATOM 0 HZ2 LYS A 50 18.247 -5.432 -17.196 1.00 33.40 H new ATOM 0 HZ3 LYS A 50 19.278 -4.111 -16.919 1.00 33.40 H new ATOM 773 N THR A 51 12.883 -2.250 -12.578 1.00 51.43 N ATOM 774 CA THR A 51 11.711 -2.803 -11.930 1.00 25.20 C ATOM 775 C THR A 51 11.943 -4.283 -11.666 1.00 22.03 C ATOM 776 O THR A 51 12.633 -4.975 -12.418 1.00 2.51 O ATOM 777 CB THR A 51 10.426 -2.554 -12.731 1.00 21.24 C ATOM 778 OG1 THR A 51 10.433 -3.106 -14.024 1.00 74.21 O ATOM 779 CG2 THR A 51 10.147 -1.069 -12.868 1.00 42.42 C ATOM 0 H THR A 51 12.719 -1.896 -13.521 1.00 51.43 H new ATOM 0 HA THR A 51 11.563 -2.290 -10.979 1.00 25.20 H new ATOM 0 HB THR A 51 9.648 -3.055 -12.155 1.00 21.24 H new ATOM 0 HG1 THR A 51 9.583 -2.907 -14.469 1.00 74.21 H new ATOM 0 HG21 THR A 51 9.231 -0.922 -13.440 1.00 42.42 H new ATOM 0 HG22 THR A 51 10.031 -0.628 -11.878 1.00 42.42 H new ATOM 0 HG23 THR A 51 10.978 -0.589 -13.385 1.00 42.42 H new ATOM 787 N PHE A 52 11.355 -4.753 -10.575 1.00 24.24 N ATOM 788 CA PHE A 52 11.516 -6.104 -10.049 1.00 25.12 C ATOM 789 C PHE A 52 10.121 -6.660 -9.737 1.00 52.55 C ATOM 790 O PHE A 52 9.180 -5.870 -9.573 1.00 52.33 O ATOM 791 CB PHE A 52 12.409 -6.064 -8.791 1.00 25.03 C ATOM 792 CG PHE A 52 13.854 -6.512 -8.946 1.00 45.15 C ATOM 793 CD1 PHE A 52 14.647 -6.094 -10.032 1.00 62.23 C ATOM 794 CD2 PHE A 52 14.435 -7.319 -7.950 1.00 14.53 C ATOM 795 CE1 PHE A 52 15.963 -6.568 -10.175 1.00 12.20 C ATOM 796 CE2 PHE A 52 15.777 -7.728 -8.052 1.00 44.21 C ATOM 797 CZ PHE A 52 16.521 -7.399 -9.192 1.00 2.32 C ATOM 0 H PHE A 52 10.728 -4.182 -10.009 1.00 24.24 H new ATOM 0 HA PHE A 52 12.003 -6.755 -10.775 1.00 25.12 H new ATOM 0 HB2 PHE A 52 12.412 -5.042 -8.412 1.00 25.03 H new ATOM 0 HB3 PHE A 52 11.943 -6.686 -8.027 1.00 25.03 H new ATOM 0 HD1 PHE A 52 14.242 -5.406 -10.759 1.00 62.23 H new ATOM 0 HD2 PHE A 52 13.845 -7.627 -7.099 1.00 14.53 H new ATOM 0 HE1 PHE A 52 16.545 -6.292 -11.042 1.00 12.20 H new ATOM 0 HE2 PHE A 52 16.233 -8.294 -7.253 1.00 44.21 H new ATOM 0 HZ PHE A 52 17.523 -7.784 -9.314 1.00 2.32 H new ATOM 807 N PRO A 53 9.952 -7.989 -9.652 1.00 23.04 N ATOM 808 CA PRO A 53 8.657 -8.615 -9.431 1.00 11.14 C ATOM 809 C PRO A 53 8.080 -8.223 -8.077 1.00 70.32 C ATOM 810 O PRO A 53 8.675 -8.490 -7.031 1.00 70.35 O ATOM 811 CB PRO A 53 8.875 -10.125 -9.529 1.00 25.34 C ATOM 812 CG PRO A 53 10.363 -10.280 -9.229 1.00 2.32 C ATOM 813 CD PRO A 53 10.977 -9.008 -9.806 1.00 30.24 C ATOM 0 HA PRO A 53 7.934 -8.283 -10.176 1.00 11.14 H new ATOM 0 HB2 PRO A 53 8.260 -10.668 -8.811 1.00 25.34 H new ATOM 0 HB3 PRO A 53 8.621 -10.506 -10.518 1.00 25.34 H new ATOM 0 HG2 PRO A 53 10.550 -10.366 -8.159 1.00 2.32 H new ATOM 0 HG3 PRO A 53 10.776 -11.173 -9.697 1.00 2.32 H new ATOM 0 HD2 PRO A 53 11.888 -8.734 -9.274 1.00 30.24 H new ATOM 0 HD3 PRO A 53 11.247 -9.141 -10.854 1.00 30.24 H new ATOM 821 N PHE A 54 6.907 -7.596 -8.100 1.00 43.22 N ATOM 822 CA PHE A 54 6.124 -7.387 -6.903 1.00 21.03 C ATOM 823 C PHE A 54 5.241 -8.614 -6.668 1.00 4.11 C ATOM 824 O PHE A 54 4.459 -8.991 -7.545 1.00 1.34 O ATOM 825 CB PHE A 54 5.375 -6.056 -6.980 1.00 41.25 C ATOM 826 CG PHE A 54 5.285 -5.393 -5.625 1.00 53.44 C ATOM 827 CD1 PHE A 54 4.519 -5.965 -4.594 1.00 71.32 C ATOM 828 CD2 PHE A 54 5.999 -4.208 -5.382 1.00 32.01 C ATOM 829 CE1 PHE A 54 4.412 -5.320 -3.353 1.00 32.03 C ATOM 830 CE2 PHE A 54 5.868 -3.549 -4.153 1.00 31.03 C ATOM 831 CZ PHE A 54 5.083 -4.108 -3.134 1.00 21.01 C ATOM 0 H PHE A 54 6.481 -7.223 -8.948 1.00 43.22 H new ATOM 0 HA PHE A 54 6.761 -7.295 -6.024 1.00 21.03 H new ATOM 0 HB2 PHE A 54 5.883 -5.391 -7.679 1.00 41.25 H new ATOM 0 HB3 PHE A 54 4.372 -6.224 -7.372 1.00 41.25 H new ATOM 0 HD1 PHE A 54 4.011 -6.904 -4.758 1.00 71.32 H new ATOM 0 HD2 PHE A 54 6.650 -3.805 -6.144 1.00 32.01 H new ATOM 0 HE1 PHE A 54 3.814 -5.756 -2.567 1.00 32.03 H new ATOM 0 HE2 PHE A 54 6.373 -2.608 -3.990 1.00 31.03 H new ATOM 0 HZ PHE A 54 4.995 -3.606 -2.182 1.00 21.01 H new ATOM 841 N THR A 55 5.423 -9.262 -5.520 1.00 42.34 N ATOM 842 CA THR A 55 4.837 -10.541 -5.128 1.00 70.42 C ATOM 843 C THR A 55 4.306 -10.468 -3.686 1.00 34.34 C ATOM 844 O THR A 55 4.592 -9.503 -2.976 1.00 5.21 O ATOM 845 CB THR A 55 5.941 -11.605 -5.266 1.00 24.02 C ATOM 846 OG1 THR A 55 7.075 -11.202 -4.512 1.00 23.01 O ATOM 847 CG2 THR A 55 6.372 -11.787 -6.723 1.00 54.22 C ATOM 0 H THR A 55 6.025 -8.881 -4.790 1.00 42.34 H new ATOM 0 HA THR A 55 3.989 -10.796 -5.763 1.00 70.42 H new ATOM 0 HB THR A 55 5.540 -12.550 -4.900 1.00 24.02 H new ATOM 0 HG1 THR A 55 7.780 -11.877 -4.595 1.00 23.01 H new ATOM 0 HG21 THR A 55 7.152 -12.546 -6.779 1.00 54.22 H new ATOM 0 HG22 THR A 55 5.516 -12.102 -7.319 1.00 54.22 H new ATOM 0 HG23 THR A 55 6.755 -10.843 -7.110 1.00 54.22 H new ATOM 855 N LYS A 56 3.612 -11.507 -3.191 1.00 10.33 N ATOM 856 CA LYS A 56 3.203 -11.596 -1.782 1.00 73.03 C ATOM 857 C LYS A 56 4.396 -11.610 -0.817 1.00 11.34 C ATOM 858 O LYS A 56 4.190 -11.463 0.385 1.00 62.35 O ATOM 859 CB LYS A 56 2.350 -12.859 -1.535 1.00 3.24 C ATOM 860 CG LYS A 56 0.844 -12.714 -1.798 1.00 31.00 C ATOM 861 CD LYS A 56 0.415 -12.880 -3.261 1.00 3.43 C ATOM 862 CE LYS A 56 -1.116 -13.014 -3.274 1.00 45.41 C ATOM 863 NZ LYS A 56 -1.668 -13.292 -4.615 1.00 61.43 N ATOM 0 H LYS A 56 3.320 -12.305 -3.755 1.00 10.33 H new ATOM 0 HA LYS A 56 2.615 -10.700 -1.584 1.00 73.03 H new ATOM 0 HB2 LYS A 56 2.733 -13.662 -2.165 1.00 3.24 H new ATOM 0 HB3 LYS A 56 2.490 -13.172 -0.500 1.00 3.24 H new ATOM 0 HG2 LYS A 56 0.314 -13.452 -1.195 1.00 31.00 H new ATOM 0 HG3 LYS A 56 0.525 -11.731 -1.452 1.00 31.00 H new ATOM 0 HD2 LYS A 56 0.731 -12.022 -3.854 1.00 3.43 H new ATOM 0 HD3 LYS A 56 0.882 -13.761 -3.701 1.00 3.43 H new ATOM 0 HE2 LYS A 56 -1.409 -13.815 -2.595 1.00 45.41 H new ATOM 0 HE3 LYS A 56 -1.557 -12.094 -2.891 1.00 45.41 H new ATOM 0 HZ1 LYS A 56 -2.694 -13.121 -4.610 1.00 61.43 H new ATOM 0 HZ2 LYS A 56 -1.216 -12.667 -5.313 1.00 61.43 H new ATOM 0 HZ3 LYS A 56 -1.484 -14.284 -4.868 1.00 61.43 H new ATOM 877 N GLU A 57 5.628 -11.804 -1.295 1.00 31.21 N ATOM 878 CA GLU A 57 6.813 -11.803 -0.449 1.00 32.44 C ATOM 879 C GLU A 57 6.961 -10.434 0.212 1.00 4.11 C ATOM 880 O GLU A 57 7.141 -10.339 1.429 1.00 13.40 O ATOM 881 CB GLU A 57 8.075 -12.084 -1.275 1.00 43.55 C ATOM 882 CG GLU A 57 8.070 -13.395 -2.070 1.00 53.34 C ATOM 883 CD GLU A 57 7.943 -14.652 -1.208 1.00 21.30 C ATOM 884 OE1 GLU A 57 8.991 -15.215 -0.807 1.00 71.12 O ATOM 885 OE2 GLU A 57 6.807 -15.155 -1.035 1.00 43.42 O ATOM 0 H GLU A 57 5.827 -11.966 -2.282 1.00 31.21 H new ATOM 0 HA GLU A 57 6.697 -12.583 0.303 1.00 32.44 H new ATOM 0 HB2 GLU A 57 8.223 -11.259 -1.971 1.00 43.55 H new ATOM 0 HB3 GLU A 57 8.933 -12.091 -0.603 1.00 43.55 H new ATOM 0 HG2 GLU A 57 7.245 -13.372 -2.782 1.00 53.34 H new ATOM 0 HG3 GLU A 57 8.990 -13.458 -2.651 1.00 53.34 H new ATOM 892 N LYS A 58 6.893 -9.378 -0.608 1.00 45.21 N ATOM 893 CA LYS A 58 7.095 -7.988 -0.217 1.00 34.21 C ATOM 894 C LYS A 58 5.749 -7.363 0.102 1.00 25.12 C ATOM 895 O LYS A 58 5.313 -6.412 -0.533 1.00 23.40 O ATOM 896 CB LYS A 58 7.919 -7.230 -1.257 1.00 50.14 C ATOM 897 CG LYS A 58 7.355 -7.205 -2.677 1.00 31.12 C ATOM 898 CD LYS A 58 8.508 -7.422 -3.648 1.00 54.15 C ATOM 899 CE LYS A 58 8.965 -8.889 -3.695 1.00 45.54 C ATOM 900 NZ LYS A 58 10.335 -9.072 -3.176 1.00 12.42 N ATOM 0 H LYS A 58 6.687 -9.479 -1.602 1.00 45.21 H new ATOM 0 HA LYS A 58 7.693 -7.932 0.692 1.00 34.21 H new ATOM 0 HB2 LYS A 58 8.037 -6.201 -0.917 1.00 50.14 H new ATOM 0 HB3 LYS A 58 8.915 -7.670 -1.292 1.00 50.14 H new ATOM 0 HG2 LYS A 58 6.601 -7.983 -2.801 1.00 31.12 H new ATOM 0 HG3 LYS A 58 6.865 -6.252 -2.875 1.00 31.12 H new ATOM 0 HD2 LYS A 58 8.203 -7.107 -4.646 1.00 54.15 H new ATOM 0 HD3 LYS A 58 9.348 -6.791 -3.357 1.00 54.15 H new ATOM 0 HE2 LYS A 58 8.275 -9.500 -3.113 1.00 45.54 H new ATOM 0 HE3 LYS A 58 8.919 -9.248 -4.723 1.00 45.54 H new ATOM 0 HZ1 LYS A 58 10.722 -9.971 -3.527 1.00 12.42 H new ATOM 0 HZ2 LYS A 58 10.936 -8.287 -3.498 1.00 12.42 H new ATOM 0 HZ3 LYS A 58 10.313 -9.087 -2.136 1.00 12.42 H new ATOM 914 N TRP A 59 5.073 -7.970 1.066 1.00 50.55 N ATOM 915 CA TRP A 59 3.793 -7.509 1.561 1.00 74.42 C ATOM 916 C TRP A 59 3.899 -7.296 3.072 1.00 12.30 C ATOM 917 O TRP A 59 3.688 -8.257 3.822 1.00 31.22 O ATOM 918 CB TRP A 59 2.688 -8.477 1.129 1.00 12.52 C ATOM 919 CG TRP A 59 1.305 -7.943 1.327 1.00 23.31 C ATOM 920 CD1 TRP A 59 0.578 -8.025 2.464 1.00 53.51 C ATOM 921 CD2 TRP A 59 0.525 -7.116 0.415 1.00 32.02 C ATOM 922 NE1 TRP A 59 -0.617 -7.356 2.297 1.00 73.03 N ATOM 923 CE2 TRP A 59 -0.715 -6.799 1.044 1.00 42.33 C ATOM 924 CE3 TRP A 59 0.772 -6.540 -0.850 1.00 10.23 C ATOM 925 CZ2 TRP A 59 -1.681 -5.993 0.429 1.00 30.11 C ATOM 926 CZ3 TRP A 59 -0.175 -5.692 -1.455 1.00 2.11 C ATOM 927 CH2 TRP A 59 -1.403 -5.439 -0.826 1.00 2.54 C ATOM 0 H TRP A 59 5.409 -8.813 1.532 1.00 50.55 H new ATOM 0 HA TRP A 59 3.518 -6.547 1.129 1.00 74.42 H new ATOM 0 HB2 TRP A 59 2.825 -8.723 0.076 1.00 12.52 H new ATOM 0 HB3 TRP A 59 2.792 -9.406 1.690 1.00 12.52 H new ATOM 0 HD1 TRP A 59 0.885 -8.536 3.365 1.00 53.51 H new ATOM 0 HE1 TRP A 59 -1.338 -7.284 3.014 1.00 73.03 H new ATOM 0 HE3 TRP A 59 1.700 -6.753 -1.360 1.00 10.23 H new ATOM 0 HZ2 TRP A 59 -2.626 -5.802 0.916 1.00 30.11 H new ATOM 0 HZ3 TRP A 59 0.045 -5.234 -2.408 1.00 2.11 H new ATOM 0 HH2 TRP A 59 -2.137 -4.814 -1.312 1.00 2.54 H new ATOM 938 N PRO A 60 4.342 -6.114 3.546 1.00 74.41 N ATOM 939 CA PRO A 60 4.045 -5.718 4.914 1.00 44.33 C ATOM 940 C PRO A 60 2.528 -5.754 5.101 1.00 32.30 C ATOM 941 O PRO A 60 1.766 -5.341 4.218 1.00 5.14 O ATOM 942 CB PRO A 60 4.617 -4.313 5.149 1.00 64.13 C ATOM 943 CG PRO A 60 5.321 -3.977 3.842 1.00 13.33 C ATOM 944 CD PRO A 60 4.779 -4.952 2.794 1.00 14.10 C ATOM 0 HA PRO A 60 4.498 -6.394 5.639 1.00 44.33 H new ATOM 0 HB2 PRO A 60 3.829 -3.594 5.374 1.00 64.13 H new ATOM 0 HB3 PRO A 60 5.310 -4.300 5.990 1.00 64.13 H new ATOM 0 HG2 PRO A 60 5.125 -2.945 3.550 1.00 13.33 H new ATOM 0 HG3 PRO A 60 6.401 -4.080 3.946 1.00 13.33 H new ATOM 0 HD2 PRO A 60 3.953 -4.511 2.235 1.00 14.10 H new ATOM 0 HD3 PRO A 60 5.548 -5.218 2.069 1.00 14.10 H new ATOM 952 N LEU A 61 2.095 -6.306 6.226 1.00 50.13 N ATOM 953 CA LEU A 61 0.729 -6.199 6.709 1.00 11.43 C ATOM 954 C LEU A 61 0.457 -4.748 7.077 1.00 2.41 C ATOM 955 O LEU A 61 1.329 -4.100 7.655 1.00 33.23 O ATOM 956 CB LEU A 61 0.554 -7.103 7.938 1.00 65.32 C ATOM 957 CG LEU A 61 0.533 -8.589 7.548 1.00 5.12 C ATOM 958 CD1 LEU A 61 0.610 -9.478 8.790 1.00 43.43 C ATOM 959 CD2 LEU A 61 -0.726 -8.904 6.735 1.00 72.14 C ATOM 0 H LEU A 61 2.699 -6.852 6.840 1.00 50.13 H new ATOM 0 HA LEU A 61 0.026 -6.515 5.938 1.00 11.43 H new ATOM 0 HB2 LEU A 61 1.366 -6.922 8.642 1.00 65.32 H new ATOM 0 HB3 LEU A 61 -0.374 -6.847 8.450 1.00 65.32 H new ATOM 0 HG LEU A 61 1.407 -8.797 6.931 1.00 5.12 H new ATOM 0 HD11 LEU A 61 0.594 -10.526 8.489 1.00 43.43 H new ATOM 0 HD12 LEU A 61 1.534 -9.270 9.330 1.00 43.43 H new ATOM 0 HD13 LEU A 61 -0.243 -9.273 9.438 1.00 43.43 H new ATOM 0 HD21 LEU A 61 -0.730 -9.960 6.464 1.00 72.14 H new ATOM 0 HD22 LEU A 61 -1.610 -8.679 7.332 1.00 72.14 H new ATOM 0 HD23 LEU A 61 -0.736 -8.297 5.829 1.00 72.14 H new ATOM 971 N LEU A 62 -0.730 -4.243 6.734 1.00 31.42 N ATOM 972 CA LEU A 62 -1.115 -2.858 6.995 1.00 62.15 C ATOM 973 C LEU A 62 -2.200 -2.764 8.056 1.00 51.14 C ATOM 974 O LEU A 62 -3.127 -3.584 8.104 1.00 51.44 O ATOM 975 CB LEU A 62 -1.548 -2.155 5.696 1.00 4.11 C ATOM 976 CG LEU A 62 -0.448 -1.219 5.169 1.00 42.53 C ATOM 977 CD1 LEU A 62 0.841 -1.983 4.853 1.00 21.44 C ATOM 978 CD2 LEU A 62 -0.921 -0.485 3.910 1.00 11.23 C ATOM 0 H LEU A 62 -1.454 -4.788 6.265 1.00 31.42 H new ATOM 0 HA LEU A 62 -0.237 -2.343 7.385 1.00 62.15 H new ATOM 0 HB2 LEU A 62 -1.786 -2.902 4.938 1.00 4.11 H new ATOM 0 HB3 LEU A 62 -2.458 -1.583 5.876 1.00 4.11 H new ATOM 0 HG LEU A 62 -0.238 -0.496 5.957 1.00 42.53 H new ATOM 0 HD11 LEU A 62 1.595 -1.288 4.483 1.00 21.44 H new ATOM 0 HD12 LEU A 62 1.208 -2.468 5.758 1.00 21.44 H new ATOM 0 HD13 LEU A 62 0.640 -2.738 4.093 1.00 21.44 H new ATOM 0 HD21 LEU A 62 -0.128 0.172 3.553 1.00 11.23 H new ATOM 0 HD22 LEU A 62 -1.166 -1.212 3.136 1.00 11.23 H new ATOM 0 HD23 LEU A 62 -1.805 0.107 4.145 1.00 11.23 H new ATOM 990 N ASP A 63 -2.061 -1.715 8.861 1.00 70.31 N ATOM 991 CA ASP A 63 -2.777 -1.414 10.092 1.00 23.11 C ATOM 992 C ASP A 63 -3.870 -0.380 9.815 1.00 65.04 C ATOM 993 O ASP A 63 -3.852 0.323 8.796 1.00 4.24 O ATOM 994 CB ASP A 63 -1.818 -0.783 11.138 1.00 12.53 C ATOM 995 CG ASP A 63 -0.340 -1.130 11.000 1.00 61.32 C ATOM 996 OD1 ASP A 63 0.253 -0.712 9.981 1.00 1.23 O ATOM 997 OD2 ASP A 63 0.240 -1.751 11.915 1.00 51.12 O ATOM 0 H ASP A 63 -1.380 -0.987 8.646 1.00 70.31 H new ATOM 0 HA ASP A 63 -3.198 -2.346 10.468 1.00 23.11 H new ATOM 0 HB2 ASP A 63 -1.921 0.301 11.085 1.00 12.53 H new ATOM 0 HB3 ASP A 63 -2.149 -1.087 12.131 1.00 12.53 H new ATOM 1002 N SER A 64 -4.756 -0.169 10.785 1.00 53.11 N ATOM 1003 CA SER A 64 -5.533 1.055 10.886 1.00 31.11 C ATOM 1004 C SER A 64 -4.624 2.237 11.227 1.00 34.32 C ATOM 1005 O SER A 64 -4.885 3.331 10.754 1.00 70.45 O ATOM 1006 CB SER A 64 -6.632 0.884 11.943 1.00 65.25 C ATOM 1007 OG SER A 64 -7.492 2.011 11.996 1.00 51.25 O ATOM 0 H SER A 64 -4.953 -0.846 11.523 1.00 53.11 H new ATOM 0 HA SER A 64 -6.004 1.261 9.925 1.00 31.11 H new ATOM 0 HB2 SER A 64 -7.216 -0.009 11.719 1.00 65.25 H new ATOM 0 HB3 SER A 64 -6.175 0.729 12.920 1.00 65.25 H new ATOM 0 HG SER A 64 -8.180 1.866 12.679 1.00 51.25 H new ATOM 1013 N GLU A 65 -3.560 2.060 12.013 1.00 51.55 N ATOM 1014 CA GLU A 65 -2.843 3.174 12.640 1.00 10.11 C ATOM 1015 C GLU A 65 -2.163 4.110 11.621 1.00 23.03 C ATOM 1016 O GLU A 65 -1.998 5.301 11.910 1.00 65.11 O ATOM 1017 CB GLU A 65 -1.833 2.639 13.669 1.00 64.25 C ATOM 1018 CG GLU A 65 -2.499 1.735 14.723 1.00 13.43 C ATOM 1019 CD GLU A 65 -1.498 1.029 15.643 1.00 1.31 C ATOM 1020 OE1 GLU A 65 -1.157 1.576 16.715 1.00 73.04 O ATOM 1021 OE2 GLU A 65 -1.132 -0.137 15.355 1.00 51.54 O ATOM 0 H GLU A 65 -3.171 1.143 12.233 1.00 51.55 H new ATOM 0 HA GLU A 65 -3.586 3.785 13.152 1.00 10.11 H new ATOM 0 HB2 GLU A 65 -1.053 2.079 13.153 1.00 64.25 H new ATOM 0 HB3 GLU A 65 -1.346 3.477 14.167 1.00 64.25 H new ATOM 0 HG2 GLU A 65 -3.177 2.336 15.330 1.00 13.43 H new ATOM 0 HG3 GLU A 65 -3.106 0.985 14.216 1.00 13.43 H new ATOM 1028 N THR A 66 -1.793 3.598 10.442 1.00 12.23 N ATOM 1029 CA THR A 66 -1.296 4.368 9.300 1.00 54.43 C ATOM 1030 C THR A 66 -2.456 5.026 8.527 1.00 3.22 C ATOM 1031 O THR A 66 -2.300 6.105 7.964 1.00 61.04 O ATOM 1032 CB THR A 66 -0.531 3.399 8.379 1.00 11.34 C ATOM 1033 OG1 THR A 66 0.373 2.619 9.129 1.00 21.43 O ATOM 1034 CG2 THR A 66 0.210 4.072 7.223 1.00 4.30 C ATOM 0 H THR A 66 -1.834 2.597 10.251 1.00 12.23 H new ATOM 0 HA THR A 66 -0.643 5.167 9.651 1.00 54.43 H new ATOM 0 HB THR A 66 -1.297 2.771 7.924 1.00 11.34 H new ATOM 0 HG1 THR A 66 0.851 2.007 8.531 1.00 21.43 H new ATOM 0 HG21 THR A 66 0.720 3.315 6.628 1.00 4.30 H new ATOM 0 HG22 THR A 66 -0.503 4.607 6.596 1.00 4.30 H new ATOM 0 HG23 THR A 66 0.942 4.775 7.620 1.00 4.30 H new ATOM 1042 N MET A 67 -3.644 4.414 8.503 1.00 31.33 N ATOM 1043 CA MET A 67 -4.848 4.874 7.805 1.00 14.42 C ATOM 1044 C MET A 67 -5.519 6.026 8.584 1.00 44.54 C ATOM 1045 O MET A 67 -6.746 6.084 8.688 1.00 42.55 O ATOM 1046 CB MET A 67 -5.776 3.654 7.595 1.00 51.54 C ATOM 1047 CG MET A 67 -6.970 3.847 6.638 1.00 2.24 C ATOM 1048 SD MET A 67 -6.634 4.303 4.909 1.00 74.31 S ATOM 1049 CE MET A 67 -5.875 2.754 4.356 1.00 11.11 C ATOM 0 H MET A 67 -3.800 3.536 8.998 1.00 31.33 H new ATOM 0 HA MET A 67 -4.601 5.287 6.827 1.00 14.42 H new ATOM 0 HB2 MET A 67 -5.172 2.827 7.222 1.00 51.54 H new ATOM 0 HB3 MET A 67 -6.165 3.351 8.567 1.00 51.54 H new ATOM 0 HG2 MET A 67 -7.542 2.919 6.631 1.00 2.24 H new ATOM 0 HG3 MET A 67 -7.615 4.616 7.064 1.00 2.24 H new ATOM 0 HE1 MET A 67 -5.662 2.814 3.289 1.00 11.11 H new ATOM 0 HE2 MET A 67 -4.947 2.588 4.903 1.00 11.11 H new ATOM 0 HE3 MET A 67 -6.559 1.926 4.544 1.00 11.11 H new ATOM 1059 N LYS A 68 -4.741 6.939 9.170 1.00 42.53 N ATOM 1060 CA LYS A 68 -5.219 8.131 9.859 1.00 44.23 C ATOM 1061 C LYS A 68 -4.463 9.316 9.303 1.00 52.32 C ATOM 1062 O LYS A 68 -3.235 9.322 9.300 1.00 23.24 O ATOM 1063 CB LYS A 68 -5.005 8.039 11.377 1.00 14.52 C ATOM 1064 CG LYS A 68 -6.156 7.332 12.102 1.00 44.24 C ATOM 1065 CD LYS A 68 -5.935 5.830 12.277 1.00 42.52 C ATOM 1066 CE LYS A 68 -7.100 5.130 12.987 1.00 12.53 C ATOM 1067 NZ LYS A 68 -7.460 5.770 14.272 1.00 23.14 N ATOM 0 H LYS A 68 -3.724 6.862 9.176 1.00 42.53 H new ATOM 0 HA LYS A 68 -6.292 8.235 9.695 1.00 44.23 H new ATOM 0 HB2 LYS A 68 -4.075 7.506 11.576 1.00 14.52 H new ATOM 0 HB3 LYS A 68 -4.889 9.044 11.784 1.00 14.52 H new ATOM 0 HG2 LYS A 68 -6.292 7.788 13.083 1.00 44.24 H new ATOM 0 HG3 LYS A 68 -7.079 7.493 11.545 1.00 44.24 H new ATOM 0 HD2 LYS A 68 -5.787 5.374 11.298 1.00 42.52 H new ATOM 0 HD3 LYS A 68 -5.020 5.667 12.846 1.00 42.52 H new ATOM 0 HE2 LYS A 68 -7.971 5.129 12.331 1.00 12.53 H new ATOM 0 HE3 LYS A 68 -6.836 4.088 13.167 1.00 12.53 H new ATOM 0 HZ1 LYS A 68 -8.144 5.172 14.778 1.00 23.14 H new ATOM 0 HZ2 LYS A 68 -6.605 5.886 14.853 1.00 23.14 H new ATOM 0 HZ3 LYS A 68 -7.884 6.702 14.089 1.00 23.14 H new ATOM 1081 N GLU A 69 -5.190 10.307 8.813 1.00 73.03 N ATOM 1082 CA GLU A 69 -4.608 11.538 8.309 1.00 43.55 C ATOM 1083 C GLU A 69 -4.171 12.433 9.453 1.00 34.14 C ATOM 1084 O GLU A 69 -4.753 12.402 10.546 1.00 54.45 O ATOM 1085 CB GLU A 69 -5.609 12.290 7.418 1.00 24.43 C ATOM 1086 CG GLU A 69 -6.206 11.430 6.299 1.00 30.41 C ATOM 1087 CD GLU A 69 -7.559 10.831 6.700 1.00 31.30 C ATOM 1088 OE1 GLU A 69 -7.612 9.750 7.329 1.00 11.31 O ATOM 1089 OE2 GLU A 69 -8.598 11.430 6.337 1.00 34.44 O ATOM 0 H GLU A 69 -6.208 10.279 8.754 1.00 73.03 H new ATOM 0 HA GLU A 69 -3.735 11.273 7.713 1.00 43.55 H new ATOM 0 HB2 GLU A 69 -6.418 12.674 8.040 1.00 24.43 H new ATOM 0 HB3 GLU A 69 -5.111 13.152 6.975 1.00 24.43 H new ATOM 0 HG2 GLU A 69 -6.329 12.036 5.401 1.00 30.41 H new ATOM 0 HG3 GLU A 69 -5.513 10.627 6.049 1.00 30.41 H new ATOM 1096 N GLU A 70 -3.163 13.248 9.160 1.00 61.21 N ATOM 1097 CA GLU A 70 -2.614 14.299 9.990 1.00 63.24 C ATOM 1098 C GLU A 70 -1.831 15.265 9.085 1.00 3.54 C ATOM 1099 O GLU A 70 -1.768 15.077 7.863 1.00 15.51 O ATOM 1100 CB GLU A 70 -1.827 13.674 11.146 1.00 42.23 C ATOM 1101 CG GLU A 70 -0.638 12.802 10.760 1.00 72.35 C ATOM 1102 CD GLU A 70 -0.209 11.822 11.867 1.00 63.03 C ATOM 1103 OE1 GLU A 70 -0.850 11.747 12.939 1.00 73.15 O ATOM 1104 OE2 GLU A 70 0.761 11.064 11.628 1.00 73.43 O ATOM 0 H GLU A 70 -2.676 13.180 8.266 1.00 61.21 H new ATOM 0 HA GLU A 70 -3.381 14.902 10.475 1.00 63.24 H new ATOM 0 HB2 GLU A 70 -1.468 14.477 11.789 1.00 42.23 H new ATOM 0 HB3 GLU A 70 -2.514 13.072 11.741 1.00 42.23 H new ATOM 0 HG2 GLU A 70 -0.889 12.237 9.863 1.00 72.35 H new ATOM 0 HG3 GLU A 70 0.206 13.444 10.507 1.00 72.35 H new ATOM 1111 N ARG A 71 -1.294 16.357 9.641 1.00 22.22 N ATOM 1112 CA ARG A 71 -0.503 17.340 8.919 1.00 4.22 C ATOM 1113 C ARG A 71 0.488 17.931 9.913 1.00 34.00 C ATOM 1114 O ARG A 71 0.127 18.824 10.685 1.00 34.33 O ATOM 1115 CB ARG A 71 -1.430 18.375 8.262 1.00 20.41 C ATOM 1116 CG ARG A 71 -0.683 19.360 7.363 1.00 41.11 C ATOM 1117 CD ARG A 71 -0.398 20.688 8.068 1.00 54.42 C ATOM 1118 NE ARG A 71 -0.132 21.774 7.115 1.00 60.01 N ATOM 1119 CZ ARG A 71 0.230 23.023 7.432 1.00 31.20 C ATOM 1120 NH1 ARG A 71 0.333 23.428 8.697 1.00 73.21 N ATOM 1121 NH2 ARG A 71 0.506 23.887 6.473 1.00 22.34 N ATOM 0 H ARG A 71 -1.405 16.580 10.630 1.00 22.22 H new ATOM 0 HA ARG A 71 0.062 16.901 8.097 1.00 4.22 H new ATOM 0 HB2 ARG A 71 -2.186 17.856 7.673 1.00 20.41 H new ATOM 0 HB3 ARG A 71 -1.956 18.929 9.040 1.00 20.41 H new ATOM 0 HG2 ARG A 71 0.257 18.913 7.041 1.00 41.11 H new ATOM 0 HG3 ARG A 71 -1.271 19.547 6.465 1.00 41.11 H new ATOM 0 HD2 ARG A 71 -1.249 20.956 8.694 1.00 54.42 H new ATOM 0 HD3 ARG A 71 0.459 20.570 8.730 1.00 54.42 H new ATOM 0 HE ARG A 71 -0.232 21.557 6.123 1.00 60.01 H new ATOM 0 HH11 ARG A 71 0.133 22.779 9.458 1.00 73.21 H new ATOM 0 HH12 ARG A 71 0.611 24.387 8.904 1.00 73.21 H new ATOM 0 HH21 ARG A 71 0.443 23.602 5.496 1.00 22.34 H new ATOM 0 HH22 ARG A 71 0.782 24.840 6.709 1.00 22.34 H new ATOM 1135 N ILE A 72 1.694 17.372 9.960 1.00 42.52 N ATOM 1136 CA ILE A 72 2.694 17.682 10.973 1.00 74.02 C ATOM 1137 C ILE A 72 3.601 18.749 10.377 1.00 54.51 C ATOM 1138 O ILE A 72 4.489 18.440 9.589 1.00 21.13 O ATOM 1139 CB ILE A 72 3.465 16.413 11.404 1.00 42.32 C ATOM 1140 CG1 ILE A 72 2.524 15.301 11.924 1.00 62.43 C ATOM 1141 CG2 ILE A 72 4.489 16.762 12.491 1.00 4.52 C ATOM 1142 CD1 ILE A 72 2.768 13.962 11.234 1.00 30.44 C ATOM 0 H ILE A 72 2.008 16.678 9.282 1.00 42.52 H new ATOM 0 HA ILE A 72 2.233 18.058 11.886 1.00 74.02 H new ATOM 0 HB ILE A 72 3.973 16.032 10.518 1.00 42.32 H new ATOM 0 HG12 ILE A 72 2.664 15.184 12.999 1.00 62.43 H new ATOM 0 HG13 ILE A 72 1.488 15.603 11.769 1.00 62.43 H new ATOM 0 HG21 ILE A 72 5.026 15.861 12.787 1.00 4.52 H new ATOM 0 HG22 ILE A 72 5.196 17.495 12.103 1.00 4.52 H new ATOM 0 HG23 ILE A 72 3.973 17.178 13.357 1.00 4.52 H new ATOM 0 HD11 ILE A 72 2.082 13.216 11.635 1.00 30.44 H new ATOM 0 HD12 ILE A 72 2.601 14.069 10.162 1.00 30.44 H new ATOM 0 HD13 ILE A 72 3.795 13.643 11.411 1.00 30.44 H new ATOM 1154 N THR A 73 3.372 20.013 10.719 1.00 34.03 N ATOM 1155 CA THR A 73 4.353 21.048 10.420 1.00 61.31 C ATOM 1156 C THR A 73 5.532 20.857 11.373 1.00 31.24 C ATOM 1157 O THR A 73 5.341 20.425 12.512 1.00 61.33 O ATOM 1158 CB THR A 73 3.708 22.443 10.493 1.00 60.31 C ATOM 1159 OG1 THR A 73 4.587 23.447 10.024 1.00 23.31 O ATOM 1160 CG2 THR A 73 3.179 22.841 11.874 1.00 44.32 C ATOM 0 H THR A 73 2.531 20.341 11.195 1.00 34.03 H new ATOM 0 HA THR A 73 4.727 20.965 9.399 1.00 61.31 H new ATOM 0 HB THR A 73 2.839 22.364 9.840 1.00 60.31 H new ATOM 0 HG1 THR A 73 4.147 24.321 10.082 1.00 23.31 H new ATOM 0 HG21 THR A 73 2.744 23.839 11.823 1.00 44.32 H new ATOM 0 HG22 THR A 73 2.417 22.129 12.191 1.00 44.32 H new ATOM 0 HG23 THR A 73 3.999 22.839 12.592 1.00 44.32 H new ATOM 1168 N GLN A 74 6.732 21.182 10.917 1.00 20.40 N ATOM 1169 CA GLN A 74 7.965 21.124 11.680 1.00 32.00 C ATOM 1170 C GLN A 74 8.633 22.500 11.560 1.00 71.05 C ATOM 1171 O GLN A 74 8.020 23.429 11.023 1.00 71.23 O ATOM 1172 CB GLN A 74 8.812 19.939 11.168 1.00 61.13 C ATOM 1173 CG GLN A 74 7.986 18.658 10.970 1.00 3.50 C ATOM 1174 CD GLN A 74 8.844 17.459 10.605 1.00 15.44 C ATOM 1175 OE1 GLN A 74 9.922 17.597 10.043 1.00 32.31 O ATOM 1176 NE2 GLN A 74 8.348 16.264 10.867 1.00 3.53 N ATOM 0 H GLN A 74 6.877 21.508 9.961 1.00 20.40 H new ATOM 0 HA GLN A 74 7.813 20.932 12.742 1.00 32.00 H new ATOM 0 HB2 GLN A 74 9.279 20.214 10.223 1.00 61.13 H new ATOM 0 HB3 GLN A 74 9.617 19.741 11.876 1.00 61.13 H new ATOM 0 HG2 GLN A 74 7.435 18.441 11.885 1.00 3.50 H new ATOM 0 HG3 GLN A 74 7.248 18.824 10.185 1.00 3.50 H new ATOM 0 HE21 GLN A 74 7.447 16.178 11.337 1.00 3.53 H new ATOM 0 HE22 GLN A 74 8.866 15.427 10.600 1.00 3.53 H new ATOM 1185 N GLU A 75 9.872 22.646 12.042 1.00 63.23 N ATOM 1186 CA GLU A 75 10.631 23.876 11.827 1.00 61.12 C ATOM 1187 C GLU A 75 11.873 23.619 10.959 1.00 3.51 C ATOM 1188 O GLU A 75 12.139 24.350 10.002 1.00 54.41 O ATOM 1189 CB GLU A 75 10.830 24.637 13.147 1.00 13.43 C ATOM 1190 CG GLU A 75 12.180 24.305 13.714 1.00 74.42 C ATOM 1191 CD GLU A 75 12.619 24.987 15.001 1.00 11.52 C ATOM 1192 OE1 GLU A 75 11.791 25.625 15.687 1.00 22.12 O ATOM 1193 OE2 GLU A 75 13.820 24.851 15.326 1.00 32.31 O ATOM 0 H GLU A 75 10.365 21.932 12.579 1.00 63.23 H new ATOM 0 HA GLU A 75 10.058 24.579 11.223 1.00 61.12 H new ATOM 0 HB2 GLU A 75 10.749 25.711 12.977 1.00 13.43 H new ATOM 0 HB3 GLU A 75 10.048 24.367 13.857 1.00 13.43 H new ATOM 0 HG2 GLU A 75 12.212 23.229 13.883 1.00 74.42 H new ATOM 0 HG3 GLU A 75 12.924 24.530 12.950 1.00 74.42 H new ATOM 1200 N GLU A 76 12.591 22.556 11.284 1.00 23.02 N ATOM 1201 CA GLU A 76 13.868 22.210 10.669 1.00 12.53 C ATOM 1202 C GLU A 76 13.662 21.214 9.534 1.00 62.22 C ATOM 1203 O GLU A 76 14.561 21.016 8.720 1.00 64.45 O ATOM 1204 CB GLU A 76 14.815 21.609 11.724 1.00 53.21 C ATOM 1205 CG GLU A 76 15.419 22.611 12.722 1.00 4.50 C ATOM 1206 CD GLU A 76 16.643 23.367 12.177 1.00 51.35 C ATOM 1207 OE1 GLU A 76 17.723 22.748 12.000 1.00 52.13 O ATOM 1208 OE2 GLU A 76 16.545 24.595 11.965 1.00 15.42 O ATOM 0 H GLU A 76 12.297 21.892 12.000 1.00 23.02 H new ATOM 0 HA GLU A 76 14.313 23.118 10.262 1.00 12.53 H new ATOM 0 HB2 GLU A 76 14.270 20.849 12.284 1.00 53.21 H new ATOM 0 HB3 GLU A 76 15.630 21.102 11.208 1.00 53.21 H new ATOM 0 HG2 GLU A 76 14.654 23.334 13.006 1.00 4.50 H new ATOM 0 HG3 GLU A 76 15.706 22.079 13.629 1.00 4.50 H new ATOM 1215 N GLY A 77 12.495 20.575 9.459 1.00 0.31 N ATOM 1216 CA GLY A 77 12.361 19.289 8.784 1.00 61.04 C ATOM 1217 C GLY A 77 11.510 19.313 7.513 1.00 23.44 C ATOM 1218 O GLY A 77 11.943 18.775 6.493 1.00 3.51 O ATOM 0 H GLY A 77 11.627 20.930 9.860 1.00 0.31 H new ATOM 0 HA2 GLY A 77 13.356 18.923 8.530 1.00 61.04 H new ATOM 0 HA3 GLY A 77 11.926 18.573 9.481 1.00 61.04 H new ATOM 1222 N GLY A 78 10.304 19.876 7.553 1.00 63.14 N ATOM 1223 CA GLY A 78 9.331 19.814 6.468 1.00 31.01 C ATOM 1224 C GLY A 78 7.923 20.101 6.980 1.00 13.22 C ATOM 1225 O GLY A 78 7.746 20.532 8.125 1.00 33.14 O ATOM 0 H GLY A 78 9.970 20.400 8.361 1.00 63.14 H new ATOM 0 HA2 GLY A 78 9.595 20.536 5.696 1.00 31.01 H new ATOM 0 HA3 GLY A 78 9.360 18.828 6.005 1.00 31.01 H new ATOM 1229 N ILE A 79 6.903 19.854 6.155 1.00 64.03 N ATOM 1230 CA ILE A 79 5.519 19.715 6.586 1.00 41.14 C ATOM 1231 C ILE A 79 5.015 18.345 6.142 1.00 43.32 C ATOM 1232 O ILE A 79 4.815 18.132 4.957 1.00 1.52 O ATOM 1233 CB ILE A 79 4.664 20.911 6.092 1.00 61.25 C ATOM 1234 CG1 ILE A 79 5.256 22.238 6.631 1.00 74.25 C ATOM 1235 CG2 ILE A 79 3.190 20.701 6.488 1.00 51.23 C ATOM 1236 CD1 ILE A 79 4.394 23.488 6.423 1.00 13.40 C ATOM 0 H ILE A 79 7.024 19.744 5.148 1.00 64.03 H new ATOM 0 HA ILE A 79 5.436 19.753 7.672 1.00 41.14 H new ATOM 0 HB ILE A 79 4.692 20.971 5.004 1.00 61.25 H new ATOM 0 HG12 ILE A 79 5.443 22.123 7.699 1.00 74.25 H new ATOM 0 HG13 ILE A 79 6.222 22.403 6.154 1.00 74.25 H new ATOM 0 HG21 ILE A 79 2.595 21.545 6.138 1.00 51.23 H new ATOM 0 HG22 ILE A 79 2.819 19.782 6.034 1.00 51.23 H new ATOM 0 HG23 ILE A 79 3.112 20.627 7.573 1.00 51.23 H new ATOM 0 HD11 ILE A 79 4.906 24.356 6.838 1.00 13.40 H new ATOM 0 HD12 ILE A 79 4.227 23.641 5.357 1.00 13.40 H new ATOM 0 HD13 ILE A 79 3.436 23.357 6.926 1.00 13.40 H new ATOM 1248 N TYR A 80 4.875 17.378 7.049 1.00 15.11 N ATOM 1249 CA TYR A 80 4.367 16.055 6.706 1.00 62.31 C ATOM 1250 C TYR A 80 2.895 16.174 6.331 1.00 22.22 C ATOM 1251 O TYR A 80 2.137 16.854 7.033 1.00 60.42 O ATOM 1252 CB TYR A 80 4.563 15.060 7.850 1.00 72.31 C ATOM 1253 CG TYR A 80 4.587 13.622 7.371 1.00 13.34 C ATOM 1254 CD1 TYR A 80 5.703 13.178 6.644 1.00 33.10 C ATOM 1255 CD2 TYR A 80 3.520 12.736 7.625 1.00 51.42 C ATOM 1256 CE1 TYR A 80 5.791 11.853 6.198 1.00 42.21 C ATOM 1257 CE2 TYR A 80 3.592 11.410 7.154 1.00 22.03 C ATOM 1258 CZ TYR A 80 4.733 10.959 6.453 1.00 4.54 C ATOM 1259 OH TYR A 80 4.832 9.661 6.067 1.00 10.21 O ATOM 0 H TYR A 80 5.110 17.491 8.035 1.00 15.11 H new ATOM 0 HA TYR A 80 4.931 15.670 5.857 1.00 62.31 H new ATOM 0 HB2 TYR A 80 5.497 15.283 8.366 1.00 72.31 H new ATOM 0 HB3 TYR A 80 3.760 15.184 8.577 1.00 72.31 H new ATOM 0 HD1 TYR A 80 6.505 13.868 6.426 1.00 33.10 H new ATOM 0 HD2 TYR A 80 2.654 13.071 8.176 1.00 51.42 H new ATOM 0 HE1 TYR A 80 6.666 11.518 5.661 1.00 42.21 H new ATOM 0 HE2 TYR A 80 2.769 10.733 7.330 1.00 22.03 H new ATOM 0 HH TYR A 80 4.060 9.160 6.403 1.00 10.21 H new ATOM 1269 N VAL A 81 2.490 15.519 5.246 1.00 41.54 N ATOM 1270 CA VAL A 81 1.136 15.538 4.720 1.00 3.13 C ATOM 1271 C VAL A 81 0.804 14.107 4.307 1.00 54.14 C ATOM 1272 O VAL A 81 1.366 13.564 3.353 1.00 71.25 O ATOM 1273 CB VAL A 81 1.008 16.546 3.561 1.00 55.44 C ATOM 1274 CG1 VAL A 81 -0.402 16.516 2.954 1.00 71.24 C ATOM 1275 CG2 VAL A 81 1.298 17.987 4.017 1.00 40.52 C ATOM 0 H VAL A 81 3.122 14.941 4.692 1.00 41.54 H new ATOM 0 HA VAL A 81 0.420 15.875 5.469 1.00 3.13 H new ATOM 0 HB VAL A 81 1.746 16.246 2.817 1.00 55.44 H new ATOM 0 HG11 VAL A 81 -0.463 17.237 2.139 1.00 71.24 H new ATOM 0 HG12 VAL A 81 -0.612 15.517 2.571 1.00 71.24 H new ATOM 0 HG13 VAL A 81 -1.134 16.772 3.720 1.00 71.24 H new ATOM 0 HG21 VAL A 81 1.197 18.664 3.169 1.00 40.52 H new ATOM 0 HG22 VAL A 81 0.590 18.272 4.796 1.00 40.52 H new ATOM 0 HG23 VAL A 81 2.313 18.047 4.410 1.00 40.52 H new ATOM 1285 N SER A 82 -0.116 13.507 5.050 1.00 63.25 N ATOM 1286 CA SER A 82 -0.568 12.139 4.903 1.00 32.24 C ATOM 1287 C SER A 82 -2.087 12.175 4.733 1.00 0.23 C ATOM 1288 O SER A 82 -2.833 12.353 5.700 1.00 74.01 O ATOM 1289 CB SER A 82 -0.084 11.318 6.109 1.00 23.31 C ATOM 1290 OG SER A 82 -0.004 12.082 7.306 1.00 33.23 O ATOM 0 H SER A 82 -0.590 13.992 5.812 1.00 63.25 H new ATOM 0 HA SER A 82 -0.152 11.647 4.024 1.00 32.24 H new ATOM 0 HB2 SER A 82 -0.761 10.478 6.265 1.00 23.31 H new ATOM 0 HB3 SER A 82 0.897 10.899 5.886 1.00 23.31 H new ATOM 0 HG SER A 82 0.933 12.300 7.493 1.00 33.23 H new ATOM 1296 N LYS A 83 -2.572 12.118 3.487 1.00 3.34 N ATOM 1297 CA LYS A 83 -3.998 12.239 3.183 1.00 12.50 C ATOM 1298 C LYS A 83 -4.373 11.436 1.938 1.00 15.22 C ATOM 1299 O LYS A 83 -3.552 10.753 1.324 1.00 2.10 O ATOM 1300 CB LYS A 83 -4.398 13.727 3.060 1.00 0.32 C ATOM 1301 CG LYS A 83 -3.682 14.439 1.902 1.00 1.22 C ATOM 1302 CD LYS A 83 -4.298 15.791 1.525 1.00 41.54 C ATOM 1303 CE LYS A 83 -4.122 16.869 2.602 1.00 64.33 C ATOM 1304 NZ LYS A 83 -5.264 16.978 3.533 1.00 33.32 N ATOM 0 H LYS A 83 -1.985 11.987 2.663 1.00 3.34 H new ATOM 0 HA LYS A 83 -4.565 11.812 4.010 1.00 12.50 H new ATOM 0 HB2 LYS A 83 -5.476 13.799 2.914 1.00 0.32 H new ATOM 0 HB3 LYS A 83 -4.168 14.239 3.994 1.00 0.32 H new ATOM 0 HG2 LYS A 83 -2.637 14.590 2.173 1.00 1.22 H new ATOM 0 HG3 LYS A 83 -3.694 13.789 1.027 1.00 1.22 H new ATOM 0 HD2 LYS A 83 -3.846 16.140 0.596 1.00 41.54 H new ATOM 0 HD3 LYS A 83 -5.362 15.654 1.330 1.00 41.54 H new ATOM 0 HE2 LYS A 83 -3.219 16.653 3.174 1.00 64.33 H new ATOM 0 HE3 LYS A 83 -3.969 17.833 2.116 1.00 64.33 H new ATOM 0 HZ1 LYS A 83 -5.073 17.725 4.231 1.00 33.32 H new ATOM 0 HZ2 LYS A 83 -6.125 17.214 3.000 1.00 33.32 H new ATOM 0 HZ3 LYS A 83 -5.399 16.072 4.025 1.00 33.32 H new ATOM 1318 N PHE A 84 -5.656 11.483 1.583 1.00 42.31 N ATOM 1319 CA PHE A 84 -6.118 11.072 0.271 1.00 34.44 C ATOM 1320 C PHE A 84 -5.744 12.158 -0.736 1.00 32.21 C ATOM 1321 O PHE A 84 -5.875 13.350 -0.446 1.00 72.14 O ATOM 1322 CB PHE A 84 -7.640 10.862 0.291 1.00 52.52 C ATOM 1323 CG PHE A 84 -8.469 12.100 0.597 1.00 44.31 C ATOM 1324 CD1 PHE A 84 -8.779 12.443 1.928 1.00 0.24 C ATOM 1325 CD2 PHE A 84 -8.934 12.914 -0.455 1.00 71.31 C ATOM 1326 CE1 PHE A 84 -9.535 13.598 2.200 1.00 72.43 C ATOM 1327 CE2 PHE A 84 -9.680 14.073 -0.182 1.00 35.51 C ATOM 1328 CZ PHE A 84 -9.981 14.417 1.147 1.00 32.20 C ATOM 0 H PHE A 84 -6.399 11.808 2.201 1.00 42.31 H new ATOM 0 HA PHE A 84 -5.649 10.130 -0.013 1.00 34.44 H new ATOM 0 HB2 PHE A 84 -7.948 10.471 -0.679 1.00 52.52 H new ATOM 0 HB3 PHE A 84 -7.874 10.097 1.032 1.00 52.52 H new ATOM 0 HD1 PHE A 84 -8.436 11.819 2.740 1.00 0.24 H new ATOM 0 HD2 PHE A 84 -8.716 12.645 -1.478 1.00 71.31 H new ATOM 0 HE1 PHE A 84 -9.774 13.857 3.221 1.00 72.43 H new ATOM 0 HE2 PHE A 84 -10.022 14.699 -0.993 1.00 35.51 H new ATOM 0 HZ PHE A 84 -10.553 15.308 1.359 1.00 32.20 H new ATOM 1338 N THR A 85 -5.348 11.753 -1.934 1.00 61.34 N ATOM 1339 CA THR A 85 -5.175 12.651 -3.065 1.00 44.51 C ATOM 1340 C THR A 85 -6.423 12.644 -3.953 1.00 64.14 C ATOM 1341 O THR A 85 -6.891 13.714 -4.358 1.00 33.32 O ATOM 1342 CB THR A 85 -3.902 12.230 -3.809 1.00 44.35 C ATOM 1343 OG1 THR A 85 -3.833 10.812 -3.913 1.00 52.53 O ATOM 1344 CG2 THR A 85 -2.690 12.764 -3.039 1.00 74.03 C ATOM 0 H THR A 85 -5.135 10.779 -2.150 1.00 61.34 H new ATOM 0 HA THR A 85 -5.056 13.683 -2.734 1.00 44.51 H new ATOM 0 HB THR A 85 -3.912 12.642 -4.818 1.00 44.35 H new ATOM 0 HG1 THR A 85 -3.123 10.564 -4.542 1.00 52.53 H new ATOM 0 HG21 THR A 85 -1.775 12.474 -3.555 1.00 74.03 H new ATOM 0 HG22 THR A 85 -2.745 13.851 -2.982 1.00 74.03 H new ATOM 0 HG23 THR A 85 -2.687 12.348 -2.032 1.00 74.03 H new ATOM 1352 N LEU A 86 -7.026 11.469 -4.174 1.00 43.12 N ATOM 1353 CA LEU A 86 -8.289 11.296 -4.891 1.00 41.42 C ATOM 1354 C LEU A 86 -9.396 11.051 -3.874 1.00 63.34 C ATOM 1355 O LEU A 86 -9.168 10.325 -2.905 1.00 32.33 O ATOM 1356 CB LEU A 86 -8.191 10.090 -5.846 1.00 12.52 C ATOM 1357 CG LEU A 86 -9.458 9.818 -6.691 1.00 52.54 C ATOM 1358 CD1 LEU A 86 -9.698 10.962 -7.676 1.00 52.31 C ATOM 1359 CD2 LEU A 86 -9.354 8.504 -7.475 1.00 13.50 C ATOM 0 H LEU A 86 -6.633 10.586 -3.847 1.00 43.12 H new ATOM 0 HA LEU A 86 -8.506 12.190 -5.475 1.00 41.42 H new ATOM 0 HB2 LEU A 86 -7.350 10.248 -6.521 1.00 12.52 H new ATOM 0 HB3 LEU A 86 -7.966 9.199 -5.260 1.00 12.52 H new ATOM 0 HG LEU A 86 -10.293 9.741 -5.994 1.00 52.54 H new ATOM 0 HD11 LEU A 86 -10.593 10.755 -8.263 1.00 52.31 H new ATOM 0 HD12 LEU A 86 -9.832 11.894 -7.126 1.00 52.31 H new ATOM 0 HD13 LEU A 86 -8.840 11.054 -8.343 1.00 52.31 H new ATOM 0 HD21 LEU A 86 -10.265 8.353 -8.054 1.00 13.50 H new ATOM 0 HD22 LEU A 86 -8.499 8.549 -8.149 1.00 13.50 H new ATOM 0 HD23 LEU A 86 -9.224 7.675 -6.780 1.00 13.50 H new ATOM 1371 N ASN A 87 -10.588 11.582 -4.150 1.00 40.41 N ATOM 1372 CA ASN A 87 -11.829 11.253 -3.463 1.00 60.23 C ATOM 1373 C ASN A 87 -12.894 10.964 -4.524 1.00 2.02 C ATOM 1374 O ASN A 87 -13.697 11.827 -4.872 1.00 35.12 O ATOM 1375 CB ASN A 87 -12.245 12.362 -2.485 1.00 23.52 C ATOM 1376 CG ASN A 87 -13.666 12.133 -1.978 1.00 72.54 C ATOM 1377 OD1 ASN A 87 -14.054 11.008 -1.686 1.00 15.10 O ATOM 1378 ND2 ASN A 87 -14.481 13.169 -1.883 1.00 71.33 N ATOM 0 H ASN A 87 -10.716 12.277 -4.885 1.00 40.41 H new ATOM 0 HA ASN A 87 -11.695 10.365 -2.845 1.00 60.23 H new ATOM 0 HB2 ASN A 87 -11.554 12.388 -1.643 1.00 23.52 H new ATOM 0 HB3 ASN A 87 -12.182 13.331 -2.979 1.00 23.52 H new ATOM 0 HD21 ASN A 87 -15.441 13.035 -1.565 1.00 71.33 H new ATOM 0 HD22 ASN A 87 -14.150 14.102 -2.128 1.00 71.33 H new ATOM 1385 N GLU A 88 -12.853 9.769 -5.098 1.00 60.11 N ATOM 1386 CA GLU A 88 -13.892 9.186 -5.937 1.00 4.41 C ATOM 1387 C GLU A 88 -14.699 8.173 -5.118 1.00 42.21 C ATOM 1388 O GLU A 88 -14.289 7.796 -4.018 1.00 62.54 O ATOM 1389 CB GLU A 88 -13.210 8.528 -7.141 1.00 44.12 C ATOM 1390 CG GLU A 88 -13.014 9.556 -8.252 1.00 12.20 C ATOM 1391 CD GLU A 88 -14.226 9.648 -9.171 1.00 14.01 C ATOM 1392 OE1 GLU A 88 -15.260 10.219 -8.753 1.00 23.41 O ATOM 1393 OE2 GLU A 88 -14.164 9.108 -10.297 1.00 43.25 O ATOM 0 H GLU A 88 -12.052 9.148 -4.985 1.00 60.11 H new ATOM 0 HA GLU A 88 -14.587 9.946 -6.294 1.00 4.41 H new ATOM 0 HB2 GLU A 88 -12.247 8.114 -6.843 1.00 44.12 H new ATOM 0 HB3 GLU A 88 -13.816 7.698 -7.504 1.00 44.12 H new ATOM 0 HG2 GLU A 88 -12.820 10.533 -7.810 1.00 12.20 H new ATOM 0 HG3 GLU A 88 -12.134 9.291 -8.839 1.00 12.20 H new ATOM 1400 N PRO A 89 -15.871 7.733 -5.599 1.00 13.40 N ATOM 1401 CA PRO A 89 -16.673 6.759 -4.881 1.00 22.33 C ATOM 1402 C PRO A 89 -16.060 5.361 -5.014 1.00 21.31 C ATOM 1403 O PRO A 89 -15.772 4.701 -4.020 1.00 11.10 O ATOM 1404 CB PRO A 89 -18.067 6.861 -5.506 1.00 52.15 C ATOM 1405 CG PRO A 89 -17.835 7.396 -6.922 1.00 55.44 C ATOM 1406 CD PRO A 89 -16.520 8.160 -6.830 1.00 60.31 C ATOM 0 HA PRO A 89 -16.719 6.948 -3.809 1.00 22.33 H new ATOM 0 HB2 PRO A 89 -18.560 5.889 -5.528 1.00 52.15 H new ATOM 0 HB3 PRO A 89 -18.708 7.531 -4.932 1.00 52.15 H new ATOM 0 HG2 PRO A 89 -17.773 6.585 -7.648 1.00 55.44 H new ATOM 0 HG3 PRO A 89 -18.650 8.046 -7.239 1.00 55.44 H new ATOM 0 HD2 PRO A 89 -15.889 7.949 -7.693 1.00 60.31 H new ATOM 0 HD3 PRO A 89 -16.697 9.235 -6.821 1.00 60.31 H new ATOM 1414 N LYS A 90 -15.847 4.887 -6.246 1.00 4.12 N ATOM 1415 CA LYS A 90 -15.523 3.486 -6.528 1.00 14.01 C ATOM 1416 C LYS A 90 -14.005 3.211 -6.536 1.00 71.34 C ATOM 1417 O LYS A 90 -13.588 2.122 -6.947 1.00 3.13 O ATOM 1418 CB LYS A 90 -16.204 3.083 -7.856 1.00 33.50 C ATOM 1419 CG LYS A 90 -16.950 1.734 -7.787 1.00 11.12 C ATOM 1420 CD LYS A 90 -18.478 1.841 -7.625 1.00 45.24 C ATOM 1421 CE LYS A 90 -18.962 1.884 -6.168 1.00 51.05 C ATOM 1422 NZ LYS A 90 -20.419 2.154 -6.098 1.00 64.14 N ATOM 0 H LYS A 90 -15.895 5.470 -7.082 1.00 4.12 H new ATOM 0 HA LYS A 90 -15.910 2.865 -5.721 1.00 14.01 H new ATOM 0 HB2 LYS A 90 -16.909 3.863 -8.144 1.00 33.50 H new ATOM 0 HB3 LYS A 90 -15.449 3.031 -8.640 1.00 33.50 H new ATOM 0 HG2 LYS A 90 -16.735 1.170 -8.695 1.00 11.12 H new ATOM 0 HG3 LYS A 90 -16.551 1.158 -6.952 1.00 11.12 H new ATOM 0 HD2 LYS A 90 -18.823 2.740 -8.136 1.00 45.24 H new ATOM 0 HD3 LYS A 90 -18.944 0.992 -8.125 1.00 45.24 H new ATOM 0 HE2 LYS A 90 -18.741 0.935 -5.680 1.00 51.05 H new ATOM 0 HE3 LYS A 90 -18.419 2.657 -5.624 1.00 51.05 H new ATOM 0 HZ1 LYS A 90 -20.794 1.805 -5.193 1.00 64.14 H new ATOM 0 HZ2 LYS A 90 -20.586 3.178 -6.170 1.00 64.14 H new ATOM 0 HZ3 LYS A 90 -20.900 1.669 -6.882 1.00 64.14 H new ATOM 1436 N HIS A 91 -13.180 4.190 -6.151 1.00 10.44 N ATOM 1437 CA HIS A 91 -11.729 4.214 -6.319 1.00 64.34 C ATOM 1438 C HIS A 91 -11.147 5.160 -5.261 1.00 70.52 C ATOM 1439 O HIS A 91 -11.746 6.207 -5.012 1.00 53.02 O ATOM 1440 CB HIS A 91 -11.451 4.765 -7.731 1.00 42.05 C ATOM 1441 CG HIS A 91 -10.009 4.906 -8.141 1.00 70.13 C ATOM 1442 ND1 HIS A 91 -9.572 5.634 -9.223 1.00 54.34 N ATOM 1443 CD2 HIS A 91 -8.913 4.298 -7.591 1.00 13.20 C ATOM 1444 CE1 HIS A 91 -8.246 5.482 -9.318 1.00 11.43 C ATOM 1445 NE2 HIS A 91 -7.803 4.683 -8.337 1.00 14.31 N ATOM 0 H HIS A 91 -13.528 5.030 -5.690 1.00 10.44 H new ATOM 0 HA HIS A 91 -11.282 3.226 -6.204 1.00 64.34 H new ATOM 0 HB2 HIS A 91 -11.945 4.114 -8.452 1.00 42.05 H new ATOM 0 HB3 HIS A 91 -11.923 5.744 -7.811 1.00 42.05 H new ATOM 0 HD2 HIS A 91 -8.910 3.640 -6.735 1.00 13.20 H new ATOM 0 HE1 HIS A 91 -7.624 5.937 -10.075 1.00 11.43 H new ATOM 0 HE2 HIS A 91 -6.835 4.409 -8.169 1.00 14.31 H new ATOM 1453 N LYS A 92 -9.993 4.842 -4.657 1.00 73.35 N ATOM 1454 CA LYS A 92 -9.285 5.742 -3.742 1.00 72.25 C ATOM 1455 C LYS A 92 -7.768 5.550 -3.833 1.00 41.22 C ATOM 1456 O LYS A 92 -7.309 4.433 -4.070 1.00 3.24 O ATOM 1457 CB LYS A 92 -9.826 5.530 -2.308 1.00 25.53 C ATOM 1458 CG LYS A 92 -9.460 4.173 -1.689 1.00 5.11 C ATOM 1459 CD LYS A 92 -9.962 3.953 -0.254 1.00 42.11 C ATOM 1460 CE LYS A 92 -9.408 4.929 0.784 1.00 74.15 C ATOM 1461 NZ LYS A 92 -7.933 4.917 0.870 1.00 53.31 N ATOM 0 H LYS A 92 -9.524 3.947 -4.792 1.00 73.35 H new ATOM 0 HA LYS A 92 -9.471 6.777 -4.029 1.00 72.25 H new ATOM 0 HB2 LYS A 92 -9.443 6.324 -1.667 1.00 25.53 H new ATOM 0 HB3 LYS A 92 -10.911 5.628 -2.323 1.00 25.53 H new ATOM 0 HG2 LYS A 92 -9.862 3.382 -2.323 1.00 5.11 H new ATOM 0 HG3 LYS A 92 -8.375 4.068 -1.698 1.00 5.11 H new ATOM 0 HD2 LYS A 92 -11.050 4.023 -0.251 1.00 42.11 H new ATOM 0 HD3 LYS A 92 -9.707 2.938 0.052 1.00 42.11 H new ATOM 0 HE2 LYS A 92 -9.742 5.937 0.539 1.00 74.15 H new ATOM 0 HE3 LYS A 92 -9.824 4.684 1.761 1.00 74.15 H new ATOM 0 HZ1 LYS A 92 -7.623 5.587 1.602 1.00 53.31 H new ATOM 0 HZ2 LYS A 92 -7.607 3.960 1.115 1.00 53.31 H new ATOM 0 HZ3 LYS A 92 -7.530 5.195 -0.047 1.00 53.31 H new ATOM 1475 N ILE A 93 -7.000 6.608 -3.549 1.00 70.45 N ATOM 1476 CA ILE A 93 -5.536 6.611 -3.449 1.00 10.24 C ATOM 1477 C ILE A 93 -5.183 7.301 -2.134 1.00 73.44 C ATOM 1478 O ILE A 93 -5.849 8.267 -1.744 1.00 52.25 O ATOM 1479 CB ILE A 93 -4.882 7.341 -4.648 1.00 23.11 C ATOM 1480 CG1 ILE A 93 -5.221 6.656 -5.986 1.00 15.21 C ATOM 1481 CG2 ILE A 93 -3.352 7.421 -4.507 1.00 1.42 C ATOM 1482 CD1 ILE A 93 -6.329 7.385 -6.726 1.00 20.04 C ATOM 0 H ILE A 93 -7.401 7.529 -3.374 1.00 70.45 H new ATOM 0 HA ILE A 93 -5.155 5.590 -3.470 1.00 10.24 H new ATOM 0 HB ILE A 93 -5.293 8.350 -4.645 1.00 23.11 H new ATOM 0 HG12 ILE A 93 -4.329 6.618 -6.612 1.00 15.21 H new ATOM 0 HG13 ILE A 93 -5.524 5.626 -5.801 1.00 15.21 H new ATOM 0 HG21 ILE A 93 -2.934 7.941 -5.369 1.00 1.42 H new ATOM 0 HG22 ILE A 93 -3.098 7.965 -3.597 1.00 1.42 H new ATOM 0 HG23 ILE A 93 -2.938 6.414 -4.455 1.00 1.42 H new ATOM 0 HD11 ILE A 93 -6.539 6.871 -7.664 1.00 20.04 H new ATOM 0 HD12 ILE A 93 -7.229 7.400 -6.111 1.00 20.04 H new ATOM 0 HD13 ILE A 93 -6.015 8.408 -6.935 1.00 20.04 H new ATOM 1494 N PHE A 94 -4.173 6.798 -1.430 1.00 13.52 N ATOM 1495 CA PHE A 94 -3.697 7.319 -0.157 1.00 73.22 C ATOM 1496 C PHE A 94 -2.178 7.413 -0.268 1.00 14.30 C ATOM 1497 O PHE A 94 -1.519 6.441 -0.638 1.00 73.45 O ATOM 1498 CB PHE A 94 -4.188 6.392 0.965 1.00 24.04 C ATOM 1499 CG PHE A 94 -3.874 6.817 2.389 1.00 53.35 C ATOM 1500 CD1 PHE A 94 -4.357 8.042 2.887 1.00 74.14 C ATOM 1501 CD2 PHE A 94 -3.163 5.956 3.246 1.00 73.21 C ATOM 1502 CE1 PHE A 94 -4.119 8.408 4.224 1.00 73.21 C ATOM 1503 CE2 PHE A 94 -2.941 6.316 4.587 1.00 73.23 C ATOM 1504 CZ PHE A 94 -3.427 7.536 5.082 1.00 52.54 C ATOM 0 H PHE A 94 -3.645 5.984 -1.745 1.00 13.52 H new ATOM 0 HA PHE A 94 -4.081 8.311 0.082 1.00 73.22 H new ATOM 0 HB2 PHE A 94 -5.269 6.288 0.872 1.00 24.04 H new ATOM 0 HB3 PHE A 94 -3.758 5.404 0.802 1.00 24.04 H new ATOM 0 HD1 PHE A 94 -4.913 8.704 2.239 1.00 74.14 H new ATOM 0 HD2 PHE A 94 -2.787 5.015 2.872 1.00 73.21 H new ATOM 0 HE1 PHE A 94 -4.469 9.361 4.592 1.00 73.21 H new ATOM 0 HE2 PHE A 94 -2.394 5.651 5.239 1.00 73.23 H new ATOM 0 HZ PHE A 94 -3.270 7.803 6.117 1.00 52.54 H new ATOM 1514 N GLU A 95 -1.634 8.602 -0.024 1.00 25.24 N ATOM 1515 CA GLU A 95 -0.221 8.916 -0.234 1.00 23.34 C ATOM 1516 C GLU A 95 0.297 9.515 1.077 1.00 74.44 C ATOM 1517 O GLU A 95 -0.470 10.175 1.790 1.00 55.32 O ATOM 1518 CB GLU A 95 -0.057 9.885 -1.428 1.00 52.51 C ATOM 1519 CG GLU A 95 -0.790 9.406 -2.701 1.00 75.31 C ATOM 1520 CD GLU A 95 -0.519 10.233 -3.970 1.00 63.25 C ATOM 1521 OE1 GLU A 95 0.622 10.696 -4.182 1.00 3.41 O ATOM 1522 OE2 GLU A 95 -1.470 10.460 -4.754 1.00 0.12 O ATOM 0 H GLU A 95 -2.173 9.391 0.333 1.00 25.24 H new ATOM 0 HA GLU A 95 0.357 8.027 -0.486 1.00 23.34 H new ATOM 0 HB2 GLU A 95 -0.435 10.867 -1.146 1.00 52.51 H new ATOM 0 HB3 GLU A 95 1.004 10.003 -1.649 1.00 52.51 H new ATOM 0 HG2 GLU A 95 -0.507 8.371 -2.895 1.00 75.31 H new ATOM 0 HG3 GLU A 95 -1.862 9.412 -2.506 1.00 75.31 H new ATOM 1529 N ALA A 96 1.564 9.275 1.422 1.00 73.23 N ATOM 1530 CA ALA A 96 2.220 9.924 2.558 1.00 51.33 C ATOM 1531 C ALA A 96 3.622 10.356 2.162 1.00 72.32 C ATOM 1532 O ALA A 96 4.301 9.647 1.416 1.00 42.55 O ATOM 1533 CB ALA A 96 2.309 8.993 3.773 1.00 1.42 C ATOM 0 H ALA A 96 2.166 8.623 0.919 1.00 73.23 H new ATOM 0 HA ALA A 96 1.618 10.790 2.834 1.00 51.33 H new ATOM 0 HB1 ALA A 96 2.802 9.513 4.594 1.00 1.42 H new ATOM 0 HB2 ALA A 96 1.305 8.699 4.080 1.00 1.42 H new ATOM 0 HB3 ALA A 96 2.883 8.104 3.509 1.00 1.42 H new ATOM 1539 N GLY A 97 4.060 11.480 2.713 1.00 75.23 N ATOM 1540 CA GLY A 97 5.332 12.126 2.456 1.00 71.14 C ATOM 1541 C GLY A 97 5.247 13.545 2.999 1.00 32.21 C ATOM 1542 O GLY A 97 4.238 13.927 3.601 1.00 72.13 O ATOM 0 H GLY A 97 3.499 11.994 3.393 1.00 75.23 H new ATOM 0 HA2 GLY A 97 6.143 11.580 2.938 1.00 71.14 H new ATOM 0 HA3 GLY A 97 5.546 12.137 1.387 1.00 71.14 H new ATOM 1546 N TYR A 98 6.278 14.351 2.785 1.00 44.25 N ATOM 1547 CA TYR A 98 6.216 15.766 3.123 1.00 13.12 C ATOM 1548 C TYR A 98 5.458 16.541 2.039 1.00 12.23 C ATOM 1549 O TYR A 98 5.102 15.981 0.998 1.00 62.23 O ATOM 1550 CB TYR A 98 7.623 16.271 3.450 1.00 11.21 C ATOM 1551 CG TYR A 98 8.105 15.749 4.790 1.00 33.13 C ATOM 1552 CD1 TYR A 98 8.725 14.494 4.905 1.00 61.42 C ATOM 1553 CD2 TYR A 98 7.854 16.496 5.949 1.00 0.13 C ATOM 1554 CE1 TYR A 98 9.081 14.002 6.173 1.00 64.12 C ATOM 1555 CE2 TYR A 98 8.190 16.010 7.223 1.00 54.55 C ATOM 1556 CZ TYR A 98 8.821 14.751 7.338 1.00 1.22 C ATOM 1557 OH TYR A 98 9.120 14.222 8.555 1.00 4.43 O ATOM 0 H TYR A 98 7.165 14.050 2.380 1.00 44.25 H new ATOM 0 HA TYR A 98 5.633 15.936 4.028 1.00 13.12 H new ATOM 0 HB2 TYR A 98 8.314 15.958 2.667 1.00 11.21 H new ATOM 0 HB3 TYR A 98 7.626 17.361 3.461 1.00 11.21 H new ATOM 0 HD1 TYR A 98 8.928 13.908 4.021 1.00 61.42 H new ATOM 0 HD2 TYR A 98 7.391 17.468 5.860 1.00 0.13 H new ATOM 0 HE1 TYR A 98 9.560 13.038 6.255 1.00 64.12 H new ATOM 0 HE2 TYR A 98 7.969 16.592 8.105 1.00 54.55 H new ATOM 0 HH TYR A 98 9.883 13.613 8.469 1.00 4.43 H new ATOM 1567 N GLU A 99 5.150 17.811 2.306 1.00 11.53 N ATOM 1568 CA GLU A 99 4.343 18.658 1.431 1.00 31.01 C ATOM 1569 C GLU A 99 5.061 18.884 0.098 1.00 71.31 C ATOM 1570 O GLU A 99 4.426 19.054 -0.947 1.00 15.53 O ATOM 1571 CB GLU A 99 4.099 20.006 2.134 1.00 11.11 C ATOM 1572 CG GLU A 99 3.024 20.861 1.439 1.00 43.33 C ATOM 1573 CD GLU A 99 3.112 22.358 1.733 1.00 60.23 C ATOM 1574 OE1 GLU A 99 3.635 22.764 2.796 1.00 63.14 O ATOM 1575 OE2 GLU A 99 2.497 23.151 0.982 1.00 55.53 O ATOM 0 H GLU A 99 5.461 18.287 3.153 1.00 11.53 H new ATOM 0 HA GLU A 99 3.391 18.169 1.227 1.00 31.01 H new ATOM 0 HB2 GLU A 99 3.798 19.822 3.166 1.00 11.11 H new ATOM 0 HB3 GLU A 99 5.034 20.566 2.169 1.00 11.11 H new ATOM 0 HG2 GLU A 99 3.100 20.711 0.362 1.00 43.33 H new ATOM 0 HG3 GLU A 99 2.041 20.502 1.743 1.00 43.33 H new ATOM 1582 N GLU A 100 6.393 18.925 0.153 1.00 72.05 N ATOM 1583 CA GLU A 100 7.267 19.331 -0.934 1.00 24.23 C ATOM 1584 C GLU A 100 8.493 18.411 -0.932 1.00 24.14 C ATOM 1585 O GLU A 100 9.632 18.867 -0.779 1.00 15.14 O ATOM 1586 CB GLU A 100 7.680 20.798 -0.744 1.00 40.14 C ATOM 1587 CG GLU A 100 6.548 21.810 -0.548 1.00 72.31 C ATOM 1588 CD GLU A 100 7.124 23.218 -0.636 1.00 20.43 C ATOM 1589 OE1 GLU A 100 8.074 23.555 0.107 1.00 4.51 O ATOM 1590 OE2 GLU A 100 6.744 23.937 -1.588 1.00 51.45 O ATOM 0 H GLU A 100 6.908 18.664 0.994 1.00 72.05 H new ATOM 0 HA GLU A 100 6.754 19.248 -1.892 1.00 24.23 H new ATOM 0 HB2 GLU A 100 8.342 20.856 0.120 1.00 40.14 H new ATOM 0 HB3 GLU A 100 8.263 21.103 -1.613 1.00 40.14 H new ATOM 0 HG2 GLU A 100 5.780 21.669 -1.309 1.00 72.31 H new ATOM 0 HG3 GLU A 100 6.070 21.658 0.420 1.00 72.31 H new ATOM 1597 N SER A 101 8.272 17.098 -0.983 1.00 52.32 N ATOM 1598 CA SER A 101 9.343 16.118 -0.997 1.00 20.34 C ATOM 1599 C SER A 101 8.916 14.871 -1.773 1.00 0.40 C ATOM 1600 O SER A 101 7.918 14.872 -2.506 1.00 62.24 O ATOM 1601 CB SER A 101 9.719 15.788 0.456 1.00 24.00 C ATOM 1602 OG SER A 101 11.045 15.321 0.578 1.00 11.24 O ATOM 0 H SER A 101 7.339 16.688 -1.016 1.00 52.32 H new ATOM 0 HA SER A 101 10.219 16.521 -1.505 1.00 20.34 H new ATOM 0 HB2 SER A 101 9.593 16.678 1.072 1.00 24.00 H new ATOM 0 HB3 SER A 101 9.034 15.033 0.843 1.00 24.00 H new ATOM 0 HG SER A 101 11.238 15.126 1.519 1.00 11.24 H new ATOM 1608 N GLU A 102 9.736 13.837 -1.618 1.00 40.35 N ATOM 1609 CA GLU A 102 9.448 12.446 -1.900 1.00 72.34 C ATOM 1610 C GLU A 102 8.280 11.918 -1.052 1.00 23.04 C ATOM 1611 O GLU A 102 7.822 12.576 -0.115 1.00 44.32 O ATOM 1612 CB GLU A 102 10.744 11.634 -1.758 1.00 15.41 C ATOM 1613 CG GLU A 102 11.126 11.522 -0.284 1.00 12.22 C ATOM 1614 CD GLU A 102 12.628 11.676 0.019 1.00 60.11 C ATOM 1615 OE1 GLU A 102 13.466 11.437 -0.882 1.00 52.52 O ATOM 1616 OE2 GLU A 102 12.972 12.035 1.168 1.00 40.41 O ATOM 0 H GLU A 102 10.685 13.964 -1.267 1.00 40.35 H new ATOM 0 HA GLU A 102 9.102 12.338 -2.928 1.00 72.34 H new ATOM 0 HB2 GLU A 102 10.610 10.640 -2.185 1.00 15.41 H new ATOM 0 HB3 GLU A 102 11.548 12.114 -2.316 1.00 15.41 H new ATOM 0 HG2 GLU A 102 10.579 12.282 0.275 1.00 12.22 H new ATOM 0 HG3 GLU A 102 10.794 10.552 0.088 1.00 12.22 H new ATOM 1623 N VAL A 103 7.834 10.700 -1.353 1.00 72.22 N ATOM 1624 CA VAL A 103 6.853 9.970 -0.563 1.00 62.24 C ATOM 1625 C VAL A 103 7.531 8.822 0.181 1.00 65.02 C ATOM 1626 O VAL A 103 8.646 8.401 -0.158 1.00 33.43 O ATOM 1627 CB VAL A 103 5.681 9.483 -1.444 1.00 60.22 C ATOM 1628 CG1 VAL A 103 4.758 10.638 -1.817 1.00 55.54 C ATOM 1629 CG2 VAL A 103 6.136 8.807 -2.739 1.00 12.40 C ATOM 0 H VAL A 103 8.154 10.184 -2.173 1.00 72.22 H new ATOM 0 HA VAL A 103 6.426 10.643 0.181 1.00 62.24 H new ATOM 0 HB VAL A 103 5.155 8.747 -0.836 1.00 60.22 H new ATOM 0 HG11 VAL A 103 3.942 10.266 -2.437 1.00 55.54 H new ATOM 0 HG12 VAL A 103 4.350 11.085 -0.910 1.00 55.54 H new ATOM 0 HG13 VAL A 103 5.321 11.390 -2.370 1.00 55.54 H new ATOM 0 HG21 VAL A 103 5.263 8.489 -3.310 1.00 12.40 H new ATOM 0 HG22 VAL A 103 6.720 9.511 -3.331 1.00 12.40 H new ATOM 0 HG23 VAL A 103 6.749 7.938 -2.500 1.00 12.40 H new ATOM 1639 N ASP A 104 6.806 8.305 1.167 1.00 44.15 N ATOM 1640 CA ASP A 104 7.174 7.218 2.065 1.00 34.13 C ATOM 1641 C ASP A 104 6.078 6.161 2.157 1.00 13.12 C ATOM 1642 O ASP A 104 6.297 5.087 2.710 1.00 10.10 O ATOM 1643 CB ASP A 104 7.417 7.812 3.449 1.00 31.10 C ATOM 1644 CG ASP A 104 8.071 6.817 4.389 1.00 33.44 C ATOM 1645 OD1 ASP A 104 9.076 6.186 3.983 1.00 31.12 O ATOM 1646 OD2 ASP A 104 7.592 6.690 5.537 1.00 34.12 O ATOM 0 H ASP A 104 5.874 8.663 1.374 1.00 44.15 H new ATOM 0 HA ASP A 104 8.069 6.730 1.678 1.00 34.13 H new ATOM 0 HB2 ASP A 104 8.050 8.695 3.358 1.00 31.10 H new ATOM 0 HB3 ASP A 104 6.469 8.142 3.873 1.00 31.10 H new ATOM 1651 N LEU A 105 4.905 6.445 1.583 1.00 73.33 N ATOM 1652 CA LEU A 105 3.810 5.498 1.387 1.00 61.35 C ATOM 1653 C LEU A 105 3.109 5.866 0.086 1.00 43.33 C ATOM 1654 O LEU A 105 2.827 7.046 -0.148 1.00 63.32 O ATOM 1655 CB LEU A 105 2.801 5.572 2.552 1.00 70.44 C ATOM 1656 CG LEU A 105 1.620 4.586 2.428 1.00 32.20 C ATOM 1657 CD1 LEU A 105 2.042 3.152 2.748 1.00 2.11 C ATOM 1658 CD2 LEU A 105 0.478 4.990 3.365 1.00 62.14 C ATOM 0 H LEU A 105 4.687 7.377 1.230 1.00 73.33 H new ATOM 0 HA LEU A 105 4.205 4.483 1.349 1.00 61.35 H new ATOM 0 HB2 LEU A 105 3.327 5.376 3.487 1.00 70.44 H new ATOM 0 HB3 LEU A 105 2.408 6.587 2.614 1.00 70.44 H new ATOM 0 HG LEU A 105 1.281 4.627 1.393 1.00 32.20 H new ATOM 0 HD11 LEU A 105 1.182 2.489 2.649 1.00 2.11 H new ATOM 0 HD12 LEU A 105 2.823 2.839 2.055 1.00 2.11 H new ATOM 0 HD13 LEU A 105 2.422 3.104 3.768 1.00 2.11 H new ATOM 0 HD21 LEU A 105 -0.345 4.282 3.262 1.00 62.14 H new ATOM 0 HD22 LEU A 105 0.834 4.986 4.395 1.00 62.14 H new ATOM 0 HD23 LEU A 105 0.131 5.990 3.105 1.00 62.14 H new ATOM 1670 N ARG A 106 2.764 4.873 -0.734 1.00 54.45 N ATOM 1671 CA ARG A 106 1.750 5.017 -1.776 1.00 1.13 C ATOM 1672 C ARG A 106 0.917 3.746 -1.773 1.00 33.21 C ATOM 1673 O ARG A 106 1.474 2.649 -1.689 1.00 21.14 O ATOM 1674 CB ARG A 106 2.354 5.232 -3.176 1.00 72.21 C ATOM 1675 CG ARG A 106 3.218 6.477 -3.396 1.00 61.14 C ATOM 1676 CD ARG A 106 2.354 7.745 -3.363 1.00 3.51 C ATOM 1677 NE ARG A 106 2.712 8.710 -4.416 1.00 15.13 N ATOM 1678 CZ ARG A 106 2.298 8.676 -5.690 1.00 53.45 C ATOM 1679 NH1 ARG A 106 1.573 7.657 -6.155 1.00 13.14 N ATOM 1680 NH2 ARG A 106 2.667 9.635 -6.532 1.00 73.21 N ATOM 0 H ARG A 106 3.182 3.943 -0.693 1.00 54.45 H new ATOM 0 HA ARG A 106 1.151 5.902 -1.560 1.00 1.13 H new ATOM 0 HB2 ARG A 106 2.958 4.358 -3.418 1.00 72.21 H new ATOM 0 HB3 ARG A 106 1.534 5.262 -3.894 1.00 72.21 H new ATOM 0 HG2 ARG A 106 3.987 6.534 -2.625 1.00 61.14 H new ATOM 0 HG3 ARG A 106 3.732 6.405 -4.354 1.00 61.14 H new ATOM 0 HD2 ARG A 106 1.306 7.467 -3.473 1.00 3.51 H new ATOM 0 HD3 ARG A 106 2.457 8.223 -2.389 1.00 3.51 H new ATOM 0 HE ARG A 106 3.332 9.475 -4.151 1.00 15.13 H new ATOM 0 HH11 ARG A 106 1.324 6.885 -5.537 1.00 13.14 H new ATOM 0 HH12 ARG A 106 1.268 7.650 -7.128 1.00 13.14 H new ATOM 0 HH21 ARG A 106 3.265 10.396 -6.208 1.00 73.21 H new ATOM 0 HH22 ARG A 106 2.353 9.611 -7.502 1.00 73.21 H new ATOM 1694 N VAL A 107 -0.403 3.879 -1.848 1.00 50.54 N ATOM 1695 CA VAL A 107 -1.295 2.739 -1.993 1.00 71.23 C ATOM 1696 C VAL A 107 -2.562 3.189 -2.740 1.00 30.12 C ATOM 1697 O VAL A 107 -3.005 4.336 -2.619 1.00 11.50 O ATOM 1698 CB VAL A 107 -1.575 2.118 -0.610 1.00 44.53 C ATOM 1699 CG1 VAL A 107 -2.298 3.118 0.273 1.00 25.40 C ATOM 1700 CG2 VAL A 107 -2.304 0.779 -0.719 1.00 72.41 C ATOM 0 H VAL A 107 -0.882 4.779 -1.810 1.00 50.54 H new ATOM 0 HA VAL A 107 -0.836 1.951 -2.591 1.00 71.23 H new ATOM 0 HB VAL A 107 -0.622 1.889 -0.133 1.00 44.53 H new ATOM 0 HG11 VAL A 107 -2.491 2.670 1.248 1.00 25.40 H new ATOM 0 HG12 VAL A 107 -1.679 4.007 0.398 1.00 25.40 H new ATOM 0 HG13 VAL A 107 -3.244 3.397 -0.192 1.00 25.40 H new ATOM 0 HG21 VAL A 107 -2.480 0.378 0.279 1.00 72.41 H new ATOM 0 HG22 VAL A 107 -3.258 0.924 -1.225 1.00 72.41 H new ATOM 0 HG23 VAL A 107 -1.694 0.078 -1.289 1.00 72.41 H new ATOM 1710 N GLU A 108 -3.196 2.272 -3.469 1.00 45.53 N ATOM 1711 CA GLU A 108 -4.320 2.534 -4.354 1.00 12.20 C ATOM 1712 C GLU A 108 -5.273 1.348 -4.230 1.00 43.22 C ATOM 1713 O GLU A 108 -4.839 0.200 -4.069 1.00 2.44 O ATOM 1714 CB GLU A 108 -3.829 2.682 -5.799 1.00 74.03 C ATOM 1715 CG GLU A 108 -2.839 3.840 -5.996 1.00 33.34 C ATOM 1716 CD GLU A 108 -2.204 3.908 -7.388 1.00 31.34 C ATOM 1717 OE1 GLU A 108 -2.465 3.004 -8.215 1.00 1.24 O ATOM 1718 OE2 GLU A 108 -1.370 4.830 -7.586 1.00 22.43 O ATOM 0 H GLU A 108 -2.927 1.288 -3.456 1.00 45.53 H new ATOM 0 HA GLU A 108 -4.825 3.461 -4.082 1.00 12.20 H new ATOM 0 HB2 GLU A 108 -3.354 1.752 -6.110 1.00 74.03 H new ATOM 0 HB3 GLU A 108 -4.688 2.834 -6.452 1.00 74.03 H new ATOM 0 HG2 GLU A 108 -3.356 4.780 -5.801 1.00 33.34 H new ATOM 0 HG3 GLU A 108 -2.046 3.753 -5.253 1.00 33.34 H new ATOM 1725 N PHE A 109 -6.575 1.619 -4.270 1.00 63.24 N ATOM 1726 CA PHE A 109 -7.624 0.662 -3.964 1.00 2.12 C ATOM 1727 C PHE A 109 -8.779 0.915 -4.931 1.00 13.10 C ATOM 1728 O PHE A 109 -9.364 2.001 -4.932 1.00 14.34 O ATOM 1729 CB PHE A 109 -8.090 0.862 -2.516 1.00 14.34 C ATOM 1730 CG PHE A 109 -7.087 0.603 -1.405 1.00 14.34 C ATOM 1731 CD1 PHE A 109 -6.271 1.648 -0.922 1.00 34.31 C ATOM 1732 CD2 PHE A 109 -7.002 -0.673 -0.816 1.00 43.21 C ATOM 1733 CE1 PHE A 109 -5.393 1.418 0.154 1.00 62.34 C ATOM 1734 CE2 PHE A 109 -6.105 -0.898 0.245 1.00 33.21 C ATOM 1735 CZ PHE A 109 -5.313 0.146 0.739 1.00 63.14 C ATOM 0 H PHE A 109 -6.935 2.539 -4.524 1.00 63.24 H new ATOM 0 HA PHE A 109 -7.262 -0.361 -4.071 1.00 2.12 H new ATOM 0 HB2 PHE A 109 -8.442 1.889 -2.417 1.00 14.34 H new ATOM 0 HB3 PHE A 109 -8.950 0.213 -2.349 1.00 14.34 H new ATOM 0 HD1 PHE A 109 -6.320 2.626 -1.378 1.00 34.31 H new ATOM 0 HD2 PHE A 109 -7.624 -1.478 -1.178 1.00 43.21 H new ATOM 0 HE1 PHE A 109 -4.779 2.223 0.530 1.00 62.34 H new ATOM 0 HE2 PHE A 109 -6.027 -1.883 0.681 1.00 33.21 H new ATOM 0 HZ PHE A 109 -4.643 -0.028 1.568 1.00 63.14 H new ATOM 1745 N GLU A 110 -9.121 -0.082 -5.745 1.00 51.52 N ATOM 1746 CA GLU A 110 -10.246 -0.030 -6.672 1.00 32.50 C ATOM 1747 C GLU A 110 -11.258 -1.118 -6.319 1.00 74.42 C ATOM 1748 O GLU A 110 -10.887 -2.192 -5.828 1.00 50.12 O ATOM 1749 CB GLU A 110 -9.745 -0.195 -8.116 1.00 54.01 C ATOM 1750 CG GLU A 110 -9.254 1.148 -8.679 1.00 32.40 C ATOM 1751 CD GLU A 110 -8.968 1.120 -10.185 1.00 74.05 C ATOM 1752 OE1 GLU A 110 -9.519 0.263 -10.911 1.00 61.33 O ATOM 1753 OE2 GLU A 110 -8.250 2.012 -10.694 1.00 74.11 O ATOM 0 H GLU A 110 -8.612 -0.966 -5.778 1.00 51.52 H new ATOM 0 HA GLU A 110 -10.738 0.939 -6.590 1.00 32.50 H new ATOM 0 HB2 GLU A 110 -8.935 -0.924 -8.144 1.00 54.01 H new ATOM 0 HB3 GLU A 110 -10.547 -0.586 -8.742 1.00 54.01 H new ATOM 0 HG2 GLU A 110 -10.004 1.913 -8.475 1.00 32.40 H new ATOM 0 HG3 GLU A 110 -8.347 1.442 -8.152 1.00 32.40 H new ATOM 1760 N LEU A 111 -12.540 -0.850 -6.579 1.00 5.43 N ATOM 1761 CA LEU A 111 -13.590 -1.861 -6.604 1.00 13.40 C ATOM 1762 C LEU A 111 -13.626 -2.451 -8.003 1.00 3.21 C ATOM 1763 O LEU A 111 -13.654 -1.711 -8.992 1.00 44.25 O ATOM 1764 CB LEU A 111 -14.945 -1.236 -6.255 1.00 5.33 C ATOM 1765 CG LEU A 111 -16.133 -2.206 -6.054 1.00 72.55 C ATOM 1766 CD1 LEU A 111 -17.037 -2.295 -7.277 1.00 10.12 C ATOM 1767 CD2 LEU A 111 -15.792 -3.575 -5.484 1.00 23.30 C ATOM 0 H LEU A 111 -12.879 0.091 -6.781 1.00 5.43 H new ATOM 0 HA LEU A 111 -13.386 -2.638 -5.867 1.00 13.40 H new ATOM 0 HB2 LEU A 111 -14.825 -0.654 -5.342 1.00 5.33 H new ATOM 0 HB3 LEU A 111 -15.209 -0.536 -7.047 1.00 5.33 H new ATOM 0 HG LEU A 111 -16.704 -1.732 -5.255 1.00 72.55 H new ATOM 0 HD11 LEU A 111 -17.852 -2.990 -7.077 1.00 10.12 H new ATOM 0 HD12 LEU A 111 -17.446 -1.310 -7.499 1.00 10.12 H new ATOM 0 HD13 LEU A 111 -16.460 -2.649 -8.131 1.00 10.12 H new ATOM 0 HD21 LEU A 111 -16.703 -4.166 -5.388 1.00 23.30 H new ATOM 0 HD22 LEU A 111 -15.097 -4.084 -6.152 1.00 23.30 H new ATOM 0 HD23 LEU A 111 -15.331 -3.456 -4.503 1.00 23.30 H new ATOM 1779 N GLN A 112 -13.602 -3.774 -8.090 1.00 53.21 N ATOM 1780 CA GLN A 112 -13.810 -4.476 -9.337 1.00 61.54 C ATOM 1781 C GLN A 112 -15.289 -4.794 -9.499 1.00 44.31 C ATOM 1782 O GLN A 112 -15.970 -5.076 -8.516 1.00 62.23 O ATOM 1783 CB GLN A 112 -13.001 -5.771 -9.331 1.00 14.33 C ATOM 1784 CG GLN A 112 -11.484 -5.515 -9.263 1.00 54.24 C ATOM 1785 CD GLN A 112 -10.995 -4.649 -10.428 1.00 34.53 C ATOM 1786 OE1 GLN A 112 -11.553 -4.685 -11.521 1.00 22.20 O ATOM 1787 NE2 GLN A 112 -9.959 -3.853 -10.228 1.00 71.14 N ATOM 0 H GLN A 112 -13.437 -4.387 -7.292 1.00 53.21 H new ATOM 0 HA GLN A 112 -13.484 -3.851 -10.168 1.00 61.54 H new ATOM 0 HB2 GLN A 112 -13.302 -6.381 -8.479 1.00 14.33 H new ATOM 0 HB3 GLN A 112 -13.230 -6.344 -10.230 1.00 14.33 H new ATOM 0 HG2 GLN A 112 -11.241 -5.025 -8.320 1.00 54.24 H new ATOM 0 HG3 GLN A 112 -10.955 -6.468 -9.273 1.00 54.24 H new ATOM 0 HE21 GLN A 112 -9.502 -3.830 -9.316 1.00 71.14 H new ATOM 0 HE22 GLN A 112 -9.617 -3.262 -10.985 1.00 71.14 H new ATOM 1796 N ALA A 113 -15.753 -4.893 -10.744 1.00 31.33 N ATOM 1797 CA ALA A 113 -17.071 -5.423 -11.079 1.00 30.12 C ATOM 1798 C ALA A 113 -17.269 -6.865 -10.592 1.00 25.43 C ATOM 1799 O ALA A 113 -18.395 -7.348 -10.541 1.00 62.52 O ATOM 1800 CB ALA A 113 -17.231 -5.371 -12.592 1.00 33.11 C ATOM 0 H ALA A 113 -15.214 -4.602 -11.560 1.00 31.33 H new ATOM 0 HA ALA A 113 -17.823 -4.814 -10.577 1.00 30.12 H new ATOM 0 HB1 ALA A 113 -18.210 -5.763 -12.868 1.00 33.11 H new ATOM 0 HB2 ALA A 113 -17.144 -4.339 -12.932 1.00 33.11 H new ATOM 0 HB3 ALA A 113 -16.454 -5.974 -13.061 1.00 33.11 H new ATOM 1806 N ASP A 114 -16.183 -7.541 -10.205 1.00 73.33 N ATOM 1807 CA ASP A 114 -16.184 -8.819 -9.503 1.00 71.15 C ATOM 1808 C ASP A 114 -16.891 -8.722 -8.148 1.00 4.21 C ATOM 1809 O ASP A 114 -17.117 -9.764 -7.528 1.00 14.04 O ATOM 1810 CB ASP A 114 -14.732 -9.275 -9.266 1.00 13.31 C ATOM 1811 CG ASP A 114 -14.226 -10.249 -10.314 1.00 53.04 C ATOM 1812 OD1 ASP A 114 -13.955 -9.816 -11.461 1.00 30.14 O ATOM 1813 OD2 ASP A 114 -14.049 -11.429 -9.952 1.00 63.45 O ATOM 0 H ASP A 114 -15.241 -7.194 -10.382 1.00 73.33 H new ATOM 0 HA ASP A 114 -16.721 -9.536 -10.124 1.00 71.15 H new ATOM 0 HB2 ASP A 114 -14.082 -8.400 -9.251 1.00 13.31 H new ATOM 0 HB3 ASP A 114 -14.662 -9.741 -8.283 1.00 13.31 H new ATOM 1818 N GLY A 115 -17.187 -7.517 -7.638 1.00 22.12 N ATOM 1819 CA GLY A 115 -17.858 -7.309 -6.372 1.00 1.10 C ATOM 1820 C GLY A 115 -16.851 -7.040 -5.263 1.00 72.32 C ATOM 1821 O GLY A 115 -17.178 -6.358 -4.299 1.00 72.42 O ATOM 0 H GLY A 115 -16.955 -6.646 -8.116 1.00 22.12 H new ATOM 0 HA2 GLY A 115 -18.547 -6.469 -6.455 1.00 1.10 H new ATOM 0 HA3 GLY A 115 -18.454 -8.187 -6.123 1.00 1.10 H new ATOM 1825 N LYS A 116 -15.607 -7.518 -5.387 1.00 53.42 N ATOM 1826 CA LYS A 116 -14.598 -7.294 -4.360 1.00 34.22 C ATOM 1827 C LYS A 116 -13.754 -6.072 -4.667 1.00 65.55 C ATOM 1828 O LYS A 116 -13.404 -5.785 -5.814 1.00 32.13 O ATOM 1829 CB LYS A 116 -13.700 -8.526 -4.178 1.00 32.21 C ATOM 1830 CG LYS A 116 -14.009 -9.202 -2.846 1.00 33.22 C ATOM 1831 CD LYS A 116 -12.991 -10.286 -2.487 1.00 43.11 C ATOM 1832 CE LYS A 116 -13.430 -11.695 -2.868 1.00 41.43 C ATOM 1833 NZ LYS A 116 -13.261 -12.007 -4.300 1.00 3.24 N ATOM 0 H LYS A 116 -15.281 -8.060 -6.188 1.00 53.42 H new ATOM 0 HA LYS A 116 -15.130 -7.116 -3.425 1.00 34.22 H new ATOM 0 HB2 LYS A 116 -13.860 -9.227 -4.997 1.00 32.21 H new ATOM 0 HB3 LYS A 116 -12.651 -8.230 -4.211 1.00 32.21 H new ATOM 0 HG2 LYS A 116 -14.028 -8.450 -2.057 1.00 33.22 H new ATOM 0 HG3 LYS A 116 -15.005 -9.644 -2.889 1.00 33.22 H new ATOM 0 HD2 LYS A 116 -12.047 -10.063 -2.984 1.00 43.11 H new ATOM 0 HD3 LYS A 116 -12.802 -10.252 -1.414 1.00 43.11 H new ATOM 0 HE2 LYS A 116 -12.860 -12.414 -2.280 1.00 41.43 H new ATOM 0 HE3 LYS A 116 -14.479 -11.823 -2.599 1.00 41.43 H new ATOM 0 HZ1 LYS A 116 -13.316 -13.036 -4.440 1.00 3.24 H new ATOM 0 HZ2 LYS A 116 -14.013 -11.542 -4.848 1.00 3.24 H new ATOM 0 HZ3 LYS A 116 -12.334 -11.663 -4.623 1.00 3.24 H new ATOM 1847 N TRP A 117 -13.346 -5.417 -3.591 1.00 73.55 N ATOM 1848 CA TRP A 117 -12.290 -4.428 -3.554 1.00 71.12 C ATOM 1849 C TRP A 117 -10.953 -5.165 -3.611 1.00 54.05 C ATOM 1850 O TRP A 117 -10.781 -6.145 -2.875 1.00 12.12 O ATOM 1851 CB TRP A 117 -12.475 -3.636 -2.257 1.00 21.14 C ATOM 1852 CG TRP A 117 -13.712 -2.788 -2.258 1.00 70.25 C ATOM 1853 CD1 TRP A 117 -14.965 -3.199 -1.938 1.00 43.35 C ATOM 1854 CD2 TRP A 117 -13.837 -1.387 -2.656 1.00 63.21 C ATOM 1855 NE1 TRP A 117 -15.851 -2.161 -2.157 1.00 72.24 N ATOM 1856 CE2 TRP A 117 -15.213 -1.026 -2.604 1.00 4.00 C ATOM 1857 CE3 TRP A 117 -12.932 -0.390 -3.081 1.00 13.12 C ATOM 1858 CZ2 TRP A 117 -15.669 0.242 -2.992 1.00 54.14 C ATOM 1859 CZ3 TRP A 117 -13.371 0.897 -3.442 1.00 54.23 C ATOM 1860 CH2 TRP A 117 -14.739 1.216 -3.401 1.00 54.01 C ATOM 0 H TRP A 117 -13.767 -5.572 -2.675 1.00 73.55 H new ATOM 0 HA TRP A 117 -12.316 -3.734 -4.394 1.00 71.12 H new ATOM 0 HB2 TRP A 117 -12.518 -4.330 -1.417 1.00 21.14 H new ATOM 0 HB3 TRP A 117 -11.605 -2.999 -2.100 1.00 21.14 H new ATOM 0 HD1 TRP A 117 -15.228 -4.180 -1.571 1.00 43.35 H new ATOM 0 HE1 TRP A 117 -16.857 -2.228 -2.005 1.00 72.24 H new ATOM 0 HE3 TRP A 117 -11.878 -0.621 -3.130 1.00 13.12 H new ATOM 0 HZ2 TRP A 117 -16.725 0.469 -2.977 1.00 54.14 H new ATOM 0 HZ3 TRP A 117 -12.654 1.643 -3.752 1.00 54.23 H new ATOM 0 HH2 TRP A 117 -15.075 2.203 -3.682 1.00 54.01 H new ATOM 1871 N TYR A 118 -10.042 -4.693 -4.467 1.00 62.55 N ATOM 1872 CA TYR A 118 -8.706 -5.235 -4.694 1.00 65.42 C ATOM 1873 C TYR A 118 -7.673 -4.105 -4.579 1.00 4.50 C ATOM 1874 O TYR A 118 -7.944 -2.992 -5.041 1.00 2.21 O ATOM 1875 CB TYR A 118 -8.668 -5.899 -6.083 1.00 42.11 C ATOM 1876 CG TYR A 118 -9.217 -7.313 -6.083 1.00 34.23 C ATOM 1877 CD1 TYR A 118 -8.370 -8.404 -5.814 1.00 43.33 C ATOM 1878 CD2 TYR A 118 -10.584 -7.541 -6.318 1.00 30.42 C ATOM 1879 CE1 TYR A 118 -8.890 -9.707 -5.715 1.00 64.41 C ATOM 1880 CE2 TYR A 118 -11.106 -8.844 -6.265 1.00 23.10 C ATOM 1881 CZ TYR A 118 -10.264 -9.931 -5.943 1.00 50.24 C ATOM 1882 OH TYR A 118 -10.780 -11.184 -5.844 1.00 72.32 O ATOM 0 H TYR A 118 -10.231 -3.878 -5.050 1.00 62.55 H new ATOM 0 HA TYR A 118 -8.463 -5.989 -3.945 1.00 65.42 H new ATOM 0 HB2 TYR A 118 -9.242 -5.293 -6.784 1.00 42.11 H new ATOM 0 HB3 TYR A 118 -7.639 -5.915 -6.443 1.00 42.11 H new ATOM 0 HD1 TYR A 118 -7.311 -8.239 -5.682 1.00 43.33 H new ATOM 0 HD2 TYR A 118 -11.237 -6.710 -6.541 1.00 30.42 H new ATOM 0 HE1 TYR A 118 -8.240 -10.533 -5.465 1.00 64.41 H new ATOM 0 HE2 TYR A 118 -12.152 -9.015 -6.471 1.00 23.10 H new ATOM 0 HH TYR A 118 -10.265 -11.699 -5.189 1.00 72.32 H new ATOM 1892 N VAL A 119 -6.503 -4.345 -3.970 1.00 3.12 N ATOM 1893 CA VAL A 119 -5.433 -3.336 -3.941 1.00 42.43 C ATOM 1894 C VAL A 119 -4.763 -3.306 -5.325 1.00 32.03 C ATOM 1895 O VAL A 119 -4.675 -4.356 -5.970 1.00 33.42 O ATOM 1896 CB VAL A 119 -4.413 -3.633 -2.818 1.00 33.31 C ATOM 1897 CG1 VAL A 119 -3.432 -2.486 -2.595 1.00 72.25 C ATOM 1898 CG2 VAL A 119 -5.072 -3.947 -1.471 1.00 10.21 C ATOM 0 H VAL A 119 -6.274 -5.219 -3.496 1.00 3.12 H new ATOM 0 HA VAL A 119 -5.854 -2.355 -3.720 1.00 42.43 H new ATOM 0 HB VAL A 119 -3.880 -4.514 -3.175 1.00 33.31 H new ATOM 0 HG11 VAL A 119 -2.740 -2.750 -1.796 1.00 72.25 H new ATOM 0 HG12 VAL A 119 -2.873 -2.301 -3.513 1.00 72.25 H new ATOM 0 HG13 VAL A 119 -3.981 -1.586 -2.317 1.00 72.25 H new ATOM 0 HG21 VAL A 119 -4.301 -4.146 -0.726 1.00 10.21 H new ATOM 0 HG22 VAL A 119 -5.673 -3.095 -1.153 1.00 10.21 H new ATOM 0 HG23 VAL A 119 -5.712 -4.824 -1.574 1.00 10.21 H new ATOM 1908 N VAL A 120 -4.278 -2.138 -5.754 1.00 33.30 N ATOM 1909 CA VAL A 120 -3.661 -1.891 -7.064 1.00 52.41 C ATOM 1910 C VAL A 120 -2.395 -1.018 -6.946 1.00 73.01 C ATOM 1911 O VAL A 120 -1.856 -0.604 -7.969 1.00 51.25 O ATOM 1912 CB VAL A 120 -4.719 -1.348 -8.067 1.00 5.10 C ATOM 1913 CG1 VAL A 120 -5.889 -2.323 -8.299 1.00 14.24 C ATOM 1914 CG2 VAL A 120 -5.324 -0.009 -7.640 1.00 63.04 C ATOM 0 H VAL A 120 -4.305 -1.300 -5.173 1.00 33.30 H new ATOM 0 HA VAL A 120 -3.307 -2.837 -7.474 1.00 52.41 H new ATOM 0 HB VAL A 120 -4.153 -1.221 -8.989 1.00 5.10 H new ATOM 0 HG11 VAL A 120 -6.592 -1.886 -9.008 1.00 14.24 H new ATOM 0 HG12 VAL A 120 -5.506 -3.262 -8.700 1.00 14.24 H new ATOM 0 HG13 VAL A 120 -6.398 -2.512 -7.354 1.00 14.24 H new ATOM 0 HG21 VAL A 120 -6.054 0.314 -8.382 1.00 63.04 H new ATOM 0 HG22 VAL A 120 -5.815 -0.123 -6.674 1.00 63.04 H new ATOM 0 HG23 VAL A 120 -4.534 0.738 -7.559 1.00 63.04 H new ATOM 1924 N ASP A 121 -1.851 -0.834 -5.731 1.00 65.44 N ATOM 1925 CA ASP A 121 -0.520 -0.248 -5.488 1.00 13.43 C ATOM 1926 C ASP A 121 0.025 -0.726 -4.141 1.00 73.21 C ATOM 1927 O ASP A 121 -0.736 -1.181 -3.283 1.00 21.23 O ATOM 1928 CB ASP A 121 -0.547 1.291 -5.497 1.00 22.14 C ATOM 1929 CG ASP A 121 0.838 1.919 -5.715 1.00 73.32 C ATOM 1930 OD1 ASP A 121 1.782 1.178 -6.076 1.00 10.41 O ATOM 1931 OD2 ASP A 121 0.940 3.161 -5.566 1.00 52.34 O ATOM 0 H ASP A 121 -2.334 -1.094 -4.871 1.00 65.44 H new ATOM 0 HA ASP A 121 0.126 -0.580 -6.301 1.00 13.43 H new ATOM 0 HB2 ASP A 121 -1.221 1.632 -6.283 1.00 22.14 H new ATOM 0 HB3 ASP A 121 -0.955 1.646 -4.551 1.00 22.14 H new ATOM 1936 N CYS A 122 1.334 -0.657 -3.930 1.00 13.43 N ATOM 1937 CA CYS A 122 1.993 -1.021 -2.684 1.00 43.11 C ATOM 1938 C CYS A 122 3.394 -0.427 -2.734 1.00 5.40 C ATOM 1939 O CYS A 122 4.260 -0.968 -3.424 1.00 30.40 O ATOM 1940 CB CYS A 122 2.033 -2.557 -2.557 1.00 30.03 C ATOM 1941 SG CYS A 122 2.380 -3.140 -0.877 1.00 44.21 S ATOM 0 H CYS A 122 1.986 -0.336 -4.645 1.00 13.43 H new ATOM 0 HA CYS A 122 1.461 -0.637 -1.814 1.00 43.11 H new ATOM 0 HB2 CYS A 122 1.076 -2.965 -2.883 1.00 30.03 H new ATOM 0 HB3 CYS A 122 2.793 -2.949 -3.232 1.00 30.03 H new ATOM 0 HG CYS A 122 1.767 -4.268 -0.674 1.00 44.21 H new ATOM 1947 N TYR A 123 3.611 0.684 -2.043 1.00 51.51 N ATOM 1948 CA TYR A 123 4.886 1.373 -1.993 1.00 12.50 C ATOM 1949 C TYR A 123 5.115 1.854 -0.579 1.00 32.04 C ATOM 1950 O TYR A 123 4.165 2.238 0.106 1.00 10.43 O ATOM 1951 CB TYR A 123 4.804 2.601 -2.877 1.00 50.13 C ATOM 1952 CG TYR A 123 6.102 3.349 -3.037 1.00 52.34 C ATOM 1953 CD1 TYR A 123 7.058 2.852 -3.933 1.00 53.14 C ATOM 1954 CD2 TYR A 123 6.356 4.524 -2.298 1.00 41.23 C ATOM 1955 CE1 TYR A 123 8.268 3.531 -4.102 1.00 23.10 C ATOM 1956 CE2 TYR A 123 7.557 5.227 -2.490 1.00 5.12 C ATOM 1957 CZ TYR A 123 8.522 4.731 -3.401 1.00 1.42 C ATOM 1958 OH TYR A 123 9.694 5.391 -3.609 1.00 52.31 O ATOM 0 H TYR A 123 2.885 1.139 -1.489 1.00 51.51 H new ATOM 0 HA TYR A 123 5.684 0.706 -2.318 1.00 12.50 H new ATOM 0 HB2 TYR A 123 4.450 2.299 -3.863 1.00 50.13 H new ATOM 0 HB3 TYR A 123 4.058 3.280 -2.464 1.00 50.13 H new ATOM 0 HD1 TYR A 123 6.861 1.948 -4.491 1.00 53.14 H new ATOM 0 HD2 TYR A 123 5.628 4.882 -1.586 1.00 41.23 H new ATOM 0 HE1 TYR A 123 9.015 3.135 -4.774 1.00 23.10 H new ATOM 0 HE2 TYR A 123 7.744 6.141 -1.946 1.00 5.12 H new ATOM 0 HH TYR A 123 10.052 5.153 -4.490 1.00 52.31 H new ATOM 1968 N THR A 124 6.369 1.877 -0.150 1.00 31.40 N ATOM 1969 CA THR A 124 6.730 2.337 1.171 1.00 10.44 C ATOM 1970 C THR A 124 8.236 2.561 1.199 1.00 41.22 C ATOM 1971 O THR A 124 8.961 1.913 0.437 1.00 2.24 O ATOM 1972 CB THR A 124 6.226 1.334 2.231 1.00 14.54 C ATOM 1973 OG1 THR A 124 6.922 1.424 3.455 1.00 22.12 O ATOM 1974 CG2 THR A 124 6.289 -0.130 1.806 1.00 65.44 C ATOM 0 H THR A 124 7.163 1.575 -0.715 1.00 31.40 H new ATOM 0 HA THR A 124 6.253 3.287 1.413 1.00 10.44 H new ATOM 0 HB THR A 124 5.184 1.632 2.349 1.00 14.54 H new ATOM 0 HG1 THR A 124 6.560 0.768 4.086 1.00 22.12 H new ATOM 0 HG21 THR A 124 5.915 -0.760 2.613 1.00 65.44 H new ATOM 0 HG22 THR A 124 5.676 -0.278 0.917 1.00 65.44 H new ATOM 0 HG23 THR A 124 7.321 -0.400 1.583 1.00 65.44 H new ATOM 1982 N GLY A 125 8.704 3.422 2.106 1.00 44.55 N ATOM 1983 CA GLY A 125 10.125 3.696 2.314 1.00 62.15 C ATOM 1984 C GLY A 125 10.975 2.450 2.531 1.00 24.34 C ATOM 1985 O GLY A 125 12.148 2.476 2.165 1.00 52.14 O ATOM 0 H GLY A 125 8.095 3.956 2.726 1.00 44.55 H new ATOM 0 HA2 GLY A 125 10.509 4.239 1.450 1.00 62.15 H new ATOM 0 HA3 GLY A 125 10.235 4.352 3.177 1.00 62.15 H new ATOM 1989 N TRP A 126 10.382 1.350 3.023 1.00 42.14 N ATOM 1990 CA TRP A 126 11.017 0.036 3.104 1.00 71.25 C ATOM 1991 C TRP A 126 11.751 -0.279 1.798 1.00 3.32 C ATOM 1992 O TRP A 126 12.956 -0.523 1.798 1.00 63.01 O ATOM 1993 CB TRP A 126 9.947 -1.042 3.292 1.00 31.41 C ATOM 1994 CG TRP A 126 9.603 -1.414 4.695 1.00 51.24 C ATOM 1995 CD1 TRP A 126 8.361 -1.471 5.222 1.00 23.00 C ATOM 1996 CD2 TRP A 126 10.511 -1.778 5.772 1.00 54.35 C ATOM 1997 NE1 TRP A 126 8.433 -1.874 6.541 1.00 74.14 N ATOM 1998 CE2 TRP A 126 9.747 -1.989 6.957 1.00 41.32 C ATOM 1999 CE3 TRP A 126 11.909 -1.923 5.862 1.00 65.03 C ATOM 2000 CZ2 TRP A 126 10.362 -2.253 8.190 1.00 63.04 C ATOM 2001 CZ3 TRP A 126 12.527 -2.220 7.084 1.00 30.42 C ATOM 2002 CH2 TRP A 126 11.760 -2.378 8.254 1.00 53.34 C ATOM 0 H TRP A 126 9.427 1.356 3.382 1.00 42.14 H new ATOM 0 HA TRP A 126 11.714 0.048 3.942 1.00 71.25 H new ATOM 0 HB2 TRP A 126 9.036 -0.706 2.797 1.00 31.41 H new ATOM 0 HB3 TRP A 126 10.278 -1.942 2.774 1.00 31.41 H new ATOM 0 HD1 TRP A 126 7.449 -1.237 4.692 1.00 23.00 H new ATOM 0 HE1 TRP A 126 7.623 -2.062 7.131 1.00 74.14 H new ATOM 0 HE3 TRP A 126 12.514 -1.803 4.975 1.00 65.03 H new ATOM 0 HZ2 TRP A 126 9.765 -2.359 9.084 1.00 63.04 H new ATOM 0 HZ3 TRP A 126 13.601 -2.329 7.129 1.00 30.42 H new ATOM 0 HH2 TRP A 126 12.243 -2.594 9.195 1.00 53.34 H new ATOM 2013 N TYR A 127 11.006 -0.306 0.690 1.00 34.31 N ATOM 2014 CA TYR A 127 11.526 -0.513 -0.643 1.00 23.23 C ATOM 2015 C TYR A 127 11.007 0.676 -1.461 1.00 41.13 C ATOM 2016 O TYR A 127 10.016 0.570 -2.196 1.00 21.30 O ATOM 2017 CB TYR A 127 11.169 -1.891 -1.244 1.00 65.35 C ATOM 2018 CG TYR A 127 11.047 -3.098 -0.334 1.00 51.25 C ATOM 2019 CD1 TYR A 127 9.814 -3.345 0.288 1.00 61.32 C ATOM 2020 CD2 TYR A 127 12.077 -4.051 -0.238 1.00 23.22 C ATOM 2021 CE1 TYR A 127 9.571 -4.547 0.968 1.00 62.34 C ATOM 2022 CE2 TYR A 127 11.867 -5.230 0.503 1.00 30.23 C ATOM 2023 CZ TYR A 127 10.598 -5.497 1.070 1.00 14.11 C ATOM 2024 OH TYR A 127 10.321 -6.729 1.565 1.00 32.31 O ATOM 0 H TYR A 127 9.994 -0.179 0.708 1.00 34.31 H new ATOM 0 HA TYR A 127 12.616 -0.544 -0.643 1.00 23.23 H new ATOM 0 HB2 TYR A 127 10.220 -1.782 -1.769 1.00 65.35 H new ATOM 0 HB3 TYR A 127 11.924 -2.124 -1.995 1.00 65.35 H new ATOM 0 HD1 TYR A 127 9.038 -2.596 0.242 1.00 61.32 H new ATOM 0 HD2 TYR A 127 13.023 -3.880 -0.730 1.00 23.22 H new ATOM 0 HE1 TYR A 127 8.604 -4.739 1.408 1.00 62.34 H new ATOM 0 HE2 TYR A 127 12.676 -5.932 0.639 1.00 30.23 H new ATOM 0 HH TYR A 127 9.911 -7.278 0.865 1.00 32.31 H new ATOM 2034 N GLY A 128 11.642 1.830 -1.269 1.00 5.23 N ATOM 2035 CA GLY A 128 11.416 3.051 -2.030 1.00 21.10 C ATOM 2036 C GLY A 128 12.625 3.316 -2.925 1.00 51.52 C ATOM 2037 O GLY A 128 13.595 2.552 -2.887 1.00 54.52 O ATOM 0 H GLY A 128 12.356 1.942 -0.549 1.00 5.23 H new ATOM 0 HA2 GLY A 128 10.515 2.955 -2.635 1.00 21.10 H new ATOM 0 HA3 GLY A 128 11.258 3.891 -1.354 1.00 21.10 H new ATOM 2041 N TYR A 129 12.548 4.343 -3.779 1.00 5.10 N ATOM 2042 CA TYR A 129 13.479 4.584 -4.885 1.00 71.13 C ATOM 2043 C TYR A 129 14.779 5.219 -4.375 1.00 4.43 C ATOM 2044 O TYR A 129 15.120 6.354 -4.721 1.00 33.32 O ATOM 2045 CB TYR A 129 12.830 5.443 -5.985 1.00 54.31 C ATOM 2046 CG TYR A 129 11.889 4.758 -6.964 1.00 31.13 C ATOM 2047 CD1 TYR A 129 10.912 3.857 -6.513 1.00 11.12 C ATOM 2048 CD2 TYR A 129 11.948 5.077 -8.336 1.00 33.01 C ATOM 2049 CE1 TYR A 129 9.954 3.337 -7.395 1.00 31.00 C ATOM 2050 CE2 TYR A 129 11.020 4.528 -9.238 1.00 61.25 C ATOM 2051 CZ TYR A 129 9.986 3.690 -8.758 1.00 50.54 C ATOM 2052 OH TYR A 129 9.041 3.184 -9.595 1.00 12.33 O ATOM 0 H TYR A 129 11.815 5.049 -3.717 1.00 5.10 H new ATOM 0 HA TYR A 129 13.729 3.621 -5.329 1.00 71.13 H new ATOM 0 HB2 TYR A 129 12.278 6.247 -5.499 1.00 54.31 H new ATOM 0 HB3 TYR A 129 13.630 5.908 -6.561 1.00 54.31 H new ATOM 0 HD1 TYR A 129 10.898 3.561 -5.475 1.00 11.12 H new ATOM 0 HD2 TYR A 129 12.713 5.749 -8.697 1.00 33.01 H new ATOM 0 HE1 TYR A 129 9.191 2.666 -7.029 1.00 31.00 H new ATOM 0 HE2 TYR A 129 11.096 4.745 -10.293 1.00 61.25 H new ATOM 0 HH TYR A 129 8.173 3.175 -9.141 1.00 12.33 H new ATOM 2062 N ASP A 130 15.554 4.467 -3.602 1.00 1.34 N ATOM 2063 CA ASP A 130 16.865 4.879 -3.113 1.00 73.21 C ATOM 2064 C ASP A 130 17.848 3.729 -3.307 1.00 54.14 C ATOM 2065 O ASP A 130 18.828 3.880 -4.040 1.00 23.11 O ATOM 2066 CB ASP A 130 16.799 5.335 -1.644 1.00 54.13 C ATOM 2067 CG ASP A 130 16.227 6.746 -1.466 1.00 74.35 C ATOM 2068 OD1 ASP A 130 16.798 7.716 -2.010 1.00 32.22 O ATOM 2069 OD2 ASP A 130 15.210 6.881 -0.740 1.00 41.21 O ATOM 0 H ASP A 130 15.283 3.534 -3.291 1.00 1.34 H new ATOM 0 HA ASP A 130 17.211 5.740 -3.685 1.00 73.21 H new ATOM 0 HB2 ASP A 130 16.188 4.630 -1.080 1.00 54.13 H new ATOM 0 HB3 ASP A 130 17.801 5.301 -1.216 1.00 54.13 H new ATOM 2074 N LEU A 131 17.583 2.573 -2.690 1.00 53.35 N ATOM 2075 CA LEU A 131 18.598 1.551 -2.424 1.00 53.51 C ATOM 2076 C LEU A 131 19.058 0.835 -3.709 1.00 4.24 C ATOM 2077 O LEU A 131 18.329 0.809 -4.711 1.00 22.44 O ATOM 2078 CB LEU A 131 18.061 0.521 -1.400 1.00 32.03 C ATOM 2079 CG LEU A 131 18.154 0.892 0.096 1.00 22.42 C ATOM 2080 CD1 LEU A 131 19.595 0.897 0.618 1.00 54.12 C ATOM 2081 CD2 LEU A 131 17.490 2.224 0.443 1.00 3.32 C ATOM 0 H LEU A 131 16.652 2.319 -2.359 1.00 53.35 H new ATOM 0 HA LEU A 131 19.469 2.058 -2.008 1.00 53.51 H new ATOM 0 HB2 LEU A 131 17.014 0.327 -1.635 1.00 32.03 H new ATOM 0 HB3 LEU A 131 18.600 -0.415 -1.549 1.00 32.03 H new ATOM 0 HG LEU A 131 17.598 0.100 0.597 1.00 22.42 H new ATOM 0 HD11 LEU A 131 19.598 1.165 1.675 1.00 54.12 H new ATOM 0 HD12 LEU A 131 20.031 -0.094 0.493 1.00 54.12 H new ATOM 0 HD13 LEU A 131 20.182 1.624 0.058 1.00 54.12 H new ATOM 0 HD21 LEU A 131 17.596 2.416 1.511 1.00 3.32 H new ATOM 0 HD22 LEU A 131 17.968 3.026 -0.119 1.00 3.32 H new ATOM 0 HD23 LEU A 131 16.432 2.181 0.186 1.00 3.32 H new ATOM 2093 N PRO A 132 20.250 0.207 -3.682 1.00 33.12 N ATOM 2094 CA PRO A 132 20.722 -0.661 -4.749 1.00 53.23 C ATOM 2095 C PRO A 132 20.052 -2.039 -4.711 1.00 5.33 C ATOM 2096 O PRO A 132 19.579 -2.513 -3.674 1.00 5.43 O ATOM 2097 CB PRO A 132 22.231 -0.805 -4.521 1.00 30.22 C ATOM 2098 CG PRO A 132 22.380 -0.642 -3.012 1.00 14.43 C ATOM 2099 CD PRO A 132 21.279 0.353 -2.660 1.00 51.14 C ATOM 0 HA PRO A 132 20.483 -0.236 -5.724 1.00 53.23 H new ATOM 0 HB2 PRO A 132 22.597 -1.775 -4.858 1.00 30.22 H new ATOM 0 HB3 PRO A 132 22.793 -0.046 -5.064 1.00 30.22 H new ATOM 0 HG2 PRO A 132 22.249 -1.590 -2.490 1.00 14.43 H new ATOM 0 HG3 PRO A 132 23.366 -0.264 -2.743 1.00 14.43 H new ATOM 0 HD2 PRO A 132 20.874 0.149 -1.669 1.00 51.14 H new ATOM 0 HD3 PRO A 132 21.667 1.371 -2.642 1.00 51.14 H new ATOM 2107 N ILE A 133 20.164 -2.745 -5.836 1.00 10.43 N ATOM 2108 CA ILE A 133 19.757 -4.124 -6.092 1.00 32.31 C ATOM 2109 C ILE A 133 20.230 -5.089 -4.998 1.00 72.45 C ATOM 2110 O ILE A 133 19.546 -6.057 -4.654 1.00 72.41 O ATOM 2111 CB ILE A 133 20.250 -4.493 -7.510 1.00 21.10 C ATOM 2112 CG1 ILE A 133 19.556 -5.748 -8.066 1.00 34.00 C ATOM 2113 CG2 ILE A 133 21.780 -4.610 -7.595 1.00 44.33 C ATOM 2114 CD1 ILE A 133 19.767 -5.873 -9.579 1.00 43.51 C ATOM 0 H ILE A 133 20.581 -2.326 -6.667 1.00 10.43 H new ATOM 0 HA ILE A 133 18.671 -4.215 -6.058 1.00 32.31 H new ATOM 0 HB ILE A 133 19.962 -3.658 -8.149 1.00 21.10 H new ATOM 0 HG12 ILE A 133 19.947 -6.635 -7.567 1.00 34.00 H new ATOM 0 HG13 ILE A 133 18.489 -5.704 -7.847 1.00 34.00 H new ATOM 0 HG21 ILE A 133 22.069 -4.871 -8.613 1.00 44.33 H new ATOM 0 HG22 ILE A 133 22.233 -3.657 -7.322 1.00 44.33 H new ATOM 0 HG23 ILE A 133 22.124 -5.385 -6.910 1.00 44.33 H new ATOM 0 HD11 ILE A 133 19.265 -6.769 -9.944 1.00 43.51 H new ATOM 0 HD12 ILE A 133 19.353 -4.997 -10.078 1.00 43.51 H new ATOM 0 HD13 ILE A 133 20.834 -5.942 -9.793 1.00 43.51 H new ATOM 2126 N GLY A 134 21.402 -4.802 -4.436 1.00 25.42 N ATOM 2127 CA GLY A 134 22.085 -5.665 -3.496 1.00 44.34 C ATOM 2128 C GLY A 134 21.397 -5.701 -2.138 1.00 71.43 C ATOM 2129 O GLY A 134 21.545 -6.698 -1.435 1.00 70.25 O ATOM 0 H GLY A 134 21.910 -3.939 -4.632 1.00 25.42 H new ATOM 0 HA2 GLY A 134 22.134 -6.675 -3.903 1.00 44.34 H new ATOM 0 HA3 GLY A 134 23.112 -5.322 -3.371 1.00 44.34 H new ATOM 2133 N GLU A 135 20.622 -4.682 -1.762 1.00 22.31 N ATOM 2134 CA GLU A 135 20.010 -4.585 -0.431 1.00 71.35 C ATOM 2135 C GLU A 135 18.594 -5.168 -0.374 1.00 3.21 C ATOM 2136 O GLU A 135 17.925 -5.119 0.664 1.00 30.01 O ATOM 2137 CB GLU A 135 20.073 -3.123 0.040 1.00 21.02 C ATOM 2138 CG GLU A 135 21.446 -2.836 0.655 1.00 65.22 C ATOM 2139 CD GLU A 135 21.683 -3.687 1.905 1.00 65.15 C ATOM 2140 OE1 GLU A 135 20.924 -3.536 2.878 1.00 41.42 O ATOM 2141 OE2 GLU A 135 22.648 -4.494 1.923 1.00 3.51 O ATOM 0 H GLU A 135 20.399 -3.896 -2.373 1.00 22.31 H new ATOM 0 HA GLU A 135 20.582 -5.204 0.260 1.00 71.35 H new ATOM 0 HB2 GLU A 135 19.893 -2.452 -0.800 1.00 21.02 H new ATOM 0 HB3 GLU A 135 19.289 -2.933 0.773 1.00 21.02 H new ATOM 0 HG2 GLU A 135 22.226 -3.039 -0.079 1.00 65.22 H new ATOM 0 HG3 GLU A 135 21.518 -1.779 0.913 1.00 65.22 H new ATOM 2148 N LEU A 136 18.127 -5.763 -1.472 1.00 33.22 N ATOM 2149 CA LEU A 136 16.773 -6.280 -1.569 1.00 63.31 C ATOM 2150 C LEU A 136 16.467 -7.306 -0.476 1.00 23.42 C ATOM 2151 O LEU A 136 15.611 -7.072 0.373 1.00 10.32 O ATOM 2152 CB LEU A 136 16.548 -6.859 -2.970 1.00 33.12 C ATOM 2153 CG LEU A 136 15.101 -7.356 -3.148 1.00 45.43 C ATOM 2154 CD1 LEU A 136 14.075 -6.262 -2.841 1.00 53.44 C ATOM 2155 CD2 LEU A 136 14.878 -7.834 -4.580 1.00 14.41 C ATOM 0 H LEU A 136 18.682 -5.897 -2.317 1.00 33.22 H new ATOM 0 HA LEU A 136 16.077 -5.456 -1.411 1.00 63.31 H new ATOM 0 HB2 LEU A 136 16.768 -6.098 -3.719 1.00 33.12 H new ATOM 0 HB3 LEU A 136 17.241 -7.683 -3.140 1.00 33.12 H new ATOM 0 HG LEU A 136 14.962 -8.176 -2.443 1.00 45.43 H new ATOM 0 HD11 LEU A 136 13.069 -6.658 -2.980 1.00 53.44 H new ATOM 0 HD12 LEU A 136 14.195 -5.929 -1.810 1.00 53.44 H new ATOM 0 HD13 LEU A 136 14.229 -5.419 -3.514 1.00 53.44 H new ATOM 0 HD21 LEU A 136 13.851 -8.182 -4.692 1.00 14.41 H new ATOM 0 HD22 LEU A 136 15.059 -7.010 -5.271 1.00 14.41 H new ATOM 0 HD23 LEU A 136 15.565 -8.651 -4.802 1.00 14.41 H new ATOM 2167 N LYS A 137 17.140 -8.459 -0.504 1.00 21.44 N ATOM 2168 CA LYS A 137 16.885 -9.581 0.408 1.00 33.21 C ATOM 2169 C LYS A 137 16.955 -9.142 1.868 1.00 14.44 C ATOM 2170 O LYS A 137 16.073 -9.523 2.640 1.00 13.24 O ATOM 2171 CB LYS A 137 17.900 -10.703 0.158 1.00 25.11 C ATOM 2172 CG LYS A 137 17.602 -11.575 -1.075 1.00 13.53 C ATOM 2173 CD LYS A 137 16.980 -12.938 -0.727 1.00 43.54 C ATOM 2174 CE LYS A 137 15.450 -12.914 -0.741 1.00 43.23 C ATOM 2175 NZ LYS A 137 14.882 -14.195 -0.265 1.00 2.40 N ATOM 0 H LYS A 137 17.889 -8.644 -1.171 1.00 21.44 H new ATOM 0 HA LYS A 137 15.877 -9.947 0.211 1.00 33.21 H new ATOM 0 HB2 LYS A 137 18.890 -10.261 0.043 1.00 25.11 H new ATOM 0 HB3 LYS A 137 17.938 -11.344 1.039 1.00 25.11 H new ATOM 0 HG2 LYS A 137 16.926 -11.035 -1.737 1.00 13.53 H new ATOM 0 HG3 LYS A 137 18.527 -11.737 -1.628 1.00 13.53 H new ATOM 0 HD2 LYS A 137 17.333 -13.685 -1.438 1.00 43.54 H new ATOM 0 HD3 LYS A 137 17.325 -13.248 0.259 1.00 43.54 H new ATOM 0 HE2 LYS A 137 15.092 -12.100 -0.111 1.00 43.23 H new ATOM 0 HE3 LYS A 137 15.098 -12.712 -1.753 1.00 43.23 H new ATOM 0 HZ1 LYS A 137 13.843 -14.144 -0.287 1.00 2.40 H new ATOM 0 HZ2 LYS A 137 15.204 -14.968 -0.882 1.00 2.40 H new ATOM 0 HZ3 LYS A 137 15.199 -14.375 0.709 1.00 2.40 H new ATOM 2189 N GLN A 138 17.962 -8.346 2.223 1.00 32.44 N ATOM 2190 CA GLN A 138 18.159 -7.738 3.531 1.00 54.14 C ATOM 2191 C GLN A 138 16.888 -7.003 3.970 1.00 34.44 C ATOM 2192 O GLN A 138 16.359 -7.240 5.056 1.00 73.11 O ATOM 2193 CB GLN A 138 19.395 -6.823 3.421 1.00 4.53 C ATOM 2194 CG GLN A 138 19.647 -5.920 4.631 1.00 30.00 C ATOM 2195 CD GLN A 138 19.749 -6.711 5.922 1.00 53.53 C ATOM 2196 OE1 GLN A 138 20.622 -7.565 6.063 1.00 61.34 O ATOM 2197 NE2 GLN A 138 18.861 -6.482 6.863 1.00 71.21 N ATOM 0 H GLN A 138 18.702 -8.096 1.567 1.00 32.44 H new ATOM 0 HA GLN A 138 18.344 -8.482 4.306 1.00 54.14 H new ATOM 0 HB2 GLN A 138 20.275 -7.446 3.263 1.00 4.53 H new ATOM 0 HB3 GLN A 138 19.285 -6.196 2.536 1.00 4.53 H new ATOM 0 HG2 GLN A 138 20.568 -5.357 4.477 1.00 30.00 H new ATOM 0 HG3 GLN A 138 18.839 -5.193 4.715 1.00 30.00 H new ATOM 0 HE21 GLN A 138 18.145 -5.769 6.726 1.00 71.21 H new ATOM 0 HE22 GLN A 138 18.888 -7.017 7.731 1.00 71.21 H new ATOM 2206 N THR A 139 16.351 -6.150 3.106 1.00 34.43 N ATOM 2207 CA THR A 139 15.137 -5.402 3.396 1.00 24.32 C ATOM 2208 C THR A 139 13.934 -6.346 3.614 1.00 61.13 C ATOM 2209 O THR A 139 13.116 -6.111 4.501 1.00 64.04 O ATOM 2210 CB THR A 139 14.917 -4.398 2.255 1.00 12.11 C ATOM 2211 OG1 THR A 139 16.098 -3.652 1.981 1.00 74.02 O ATOM 2212 CG2 THR A 139 13.823 -3.396 2.597 1.00 50.15 C ATOM 0 H THR A 139 16.746 -5.958 2.185 1.00 34.43 H new ATOM 0 HA THR A 139 15.239 -4.852 4.331 1.00 24.32 H new ATOM 0 HB THR A 139 14.632 -4.991 1.386 1.00 12.11 H new ATOM 0 HG1 THR A 139 16.594 -4.081 1.253 1.00 74.02 H new ATOM 0 HG21 THR A 139 13.694 -2.701 1.767 1.00 50.15 H new ATOM 0 HG22 THR A 139 12.887 -3.926 2.775 1.00 50.15 H new ATOM 0 HG23 THR A 139 14.103 -2.843 3.493 1.00 50.15 H new ATOM 2220 N ILE A 140 13.829 -7.454 2.867 1.00 23.30 N ATOM 2221 CA ILE A 140 12.708 -8.390 3.006 1.00 24.23 C ATOM 2222 C ILE A 140 12.781 -9.065 4.378 1.00 73.23 C ATOM 2223 O ILE A 140 11.741 -9.297 4.998 1.00 64.42 O ATOM 2224 CB ILE A 140 12.627 -9.430 1.850 1.00 70.35 C ATOM 2225 CG1 ILE A 140 12.692 -8.831 0.427 1.00 65.33 C ATOM 2226 CG2 ILE A 140 11.306 -10.223 1.922 1.00 65.11 C ATOM 2227 CD1 ILE A 140 12.897 -9.850 -0.702 1.00 4.12 C ATOM 0 H ILE A 140 14.511 -7.723 2.158 1.00 23.30 H new ATOM 0 HA ILE A 140 11.783 -7.817 2.934 1.00 24.23 H new ATOM 0 HB ILE A 140 13.507 -10.055 2.002 1.00 70.35 H new ATOM 0 HG12 ILE A 140 11.768 -8.284 0.238 1.00 65.33 H new ATOM 0 HG13 ILE A 140 13.505 -8.106 0.392 1.00 65.33 H new ATOM 0 HG21 ILE A 140 11.270 -10.944 1.105 1.00 65.11 H new ATOM 0 HG22 ILE A 140 11.249 -10.750 2.874 1.00 65.11 H new ATOM 0 HG23 ILE A 140 10.464 -9.536 1.837 1.00 65.11 H new ATOM 0 HD11 ILE A 140 12.929 -9.330 -1.660 1.00 4.12 H new ATOM 0 HD12 ILE A 140 13.836 -10.382 -0.546 1.00 4.12 H new ATOM 0 HD13 ILE A 140 12.072 -10.563 -0.703 1.00 4.12 H new ATOM 2239 N GLN A 141 13.987 -9.383 4.860 1.00 53.43 N ATOM 2240 CA GLN A 141 14.184 -10.025 6.157 1.00 4.44 C ATOM 2241 C GLN A 141 13.520 -9.211 7.257 1.00 73.33 C ATOM 2242 O GLN A 141 12.836 -9.781 8.107 1.00 23.33 O ATOM 2243 CB GLN A 141 15.680 -10.200 6.460 1.00 5.31 C ATOM 2244 CG GLN A 141 16.379 -11.104 5.429 1.00 14.11 C ATOM 2245 CD GLN A 141 16.678 -12.523 5.905 1.00 33.21 C ATOM 2246 OE1 GLN A 141 16.277 -12.977 6.971 1.00 33.11 O ATOM 2247 NE2 GLN A 141 17.319 -13.319 5.071 1.00 70.31 N ATOM 0 H GLN A 141 14.855 -9.200 4.357 1.00 53.43 H new ATOM 0 HA GLN A 141 13.723 -11.012 6.120 1.00 4.44 H new ATOM 0 HB2 GLN A 141 16.164 -9.223 6.471 1.00 5.31 H new ATOM 0 HB3 GLN A 141 15.800 -10.627 7.456 1.00 5.31 H new ATOM 0 HG2 GLN A 141 15.755 -11.161 4.537 1.00 14.11 H new ATOM 0 HG3 GLN A 141 17.316 -10.633 5.132 1.00 14.11 H new ATOM 0 HE21 GLN A 141 17.659 -12.957 4.180 1.00 70.31 H new ATOM 0 HE22 GLN A 141 17.475 -14.297 5.317 1.00 70.31 H new ATOM 2256 N ASN A 142 13.684 -7.892 7.173 1.00 25.42 N ATOM 2257 CA ASN A 142 13.162 -6.957 8.167 1.00 41.45 C ATOM 2258 C ASN A 142 11.642 -6.970 8.179 1.00 45.34 C ATOM 2259 O ASN A 142 11.034 -7.121 9.232 1.00 13.54 O ATOM 2260 CB ASN A 142 13.644 -5.523 7.926 1.00 11.21 C ATOM 2261 CG ASN A 142 15.017 -5.277 8.518 1.00 71.12 C ATOM 2262 OD1 ASN A 142 15.144 -4.617 9.540 1.00 64.43 O ATOM 2263 ND2 ASN A 142 16.072 -5.814 7.929 1.00 13.32 N ATOM 0 H ASN A 142 14.186 -7.440 6.409 1.00 25.42 H new ATOM 0 HA ASN A 142 13.543 -7.291 9.132 1.00 41.45 H new ATOM 0 HB2 ASN A 142 13.671 -5.325 6.854 1.00 11.21 H new ATOM 0 HB3 ASN A 142 12.931 -4.823 8.362 1.00 11.21 H new ATOM 0 HD21 ASN A 142 17.002 -5.679 8.327 1.00 13.32 H new ATOM 0 HD22 ASN A 142 15.956 -6.363 7.077 1.00 13.32 H new ATOM 2270 N VAL A 143 11.006 -6.857 7.012 1.00 51.23 N ATOM 2271 CA VAL A 143 9.552 -6.706 6.941 1.00 43.41 C ATOM 2272 C VAL A 143 8.850 -7.933 7.542 1.00 33.01 C ATOM 2273 O VAL A 143 7.733 -7.857 8.051 1.00 41.21 O ATOM 2274 CB VAL A 143 9.162 -6.465 5.472 1.00 42.13 C ATOM 2275 CG1 VAL A 143 7.643 -6.499 5.271 1.00 63.34 C ATOM 2276 CG2 VAL A 143 9.693 -5.121 4.956 1.00 31.13 C ATOM 0 H VAL A 143 11.473 -6.867 6.105 1.00 51.23 H new ATOM 0 HA VAL A 143 9.227 -5.850 7.532 1.00 43.41 H new ATOM 0 HB VAL A 143 9.618 -7.277 4.905 1.00 42.13 H new ATOM 0 HG11 VAL A 143 7.411 -6.324 4.220 1.00 63.34 H new ATOM 0 HG12 VAL A 143 7.258 -7.474 5.571 1.00 63.34 H new ATOM 0 HG13 VAL A 143 7.178 -5.723 5.879 1.00 63.34 H new ATOM 0 HG21 VAL A 143 9.397 -4.988 3.915 1.00 31.13 H new ATOM 0 HG22 VAL A 143 9.279 -4.311 5.557 1.00 31.13 H new ATOM 0 HG23 VAL A 143 10.781 -5.108 5.028 1.00 31.13 H new ATOM 2286 N LYS A 144 9.478 -9.104 7.467 1.00 63.11 N ATOM 2287 CA LYS A 144 8.893 -10.308 8.036 1.00 10.33 C ATOM 2288 C LYS A 144 8.965 -10.313 9.567 1.00 50.35 C ATOM 2289 O LYS A 144 8.085 -10.944 10.151 1.00 42.12 O ATOM 2290 CB LYS A 144 9.558 -11.544 7.430 1.00 41.12 C ATOM 2291 CG LYS A 144 9.061 -11.686 5.984 1.00 63.45 C ATOM 2292 CD LYS A 144 9.765 -12.798 5.217 1.00 4.13 C ATOM 2293 CE LYS A 144 11.229 -12.440 4.970 1.00 54.12 C ATOM 2294 NZ LYS A 144 11.741 -13.140 3.783 1.00 64.44 N ATOM 0 H LYS A 144 10.385 -9.241 7.021 1.00 63.11 H new ATOM 0 HA LYS A 144 7.833 -10.327 7.783 1.00 10.33 H new ATOM 0 HB2 LYS A 144 10.643 -11.443 7.452 1.00 41.12 H new ATOM 0 HB3 LYS A 144 9.309 -12.434 8.008 1.00 41.12 H new ATOM 0 HG2 LYS A 144 7.989 -11.881 5.992 1.00 63.45 H new ATOM 0 HG3 LYS A 144 9.209 -10.741 5.461 1.00 63.45 H new ATOM 0 HD2 LYS A 144 9.703 -13.730 5.779 1.00 4.13 H new ATOM 0 HD3 LYS A 144 9.261 -12.966 4.265 1.00 4.13 H new ATOM 0 HE2 LYS A 144 11.327 -11.363 4.834 1.00 54.12 H new ATOM 0 HE3 LYS A 144 11.826 -12.707 5.842 1.00 54.12 H new ATOM 0 HZ1 LYS A 144 12.716 -12.832 3.592 1.00 64.44 H new ATOM 0 HZ2 LYS A 144 11.729 -14.166 3.953 1.00 64.44 H new ATOM 0 HZ3 LYS A 144 11.141 -12.918 2.963 1.00 64.44 H new ATOM 2308 N GLU A 145 9.929 -9.628 10.202 1.00 73.15 N ATOM 2309 CA GLU A 145 9.911 -9.368 11.641 1.00 64.43 C ATOM 2310 C GLU A 145 8.618 -8.626 11.978 1.00 2.52 C ATOM 2311 O GLU A 145 7.841 -9.059 12.831 1.00 62.03 O ATOM 2312 CB GLU A 145 11.103 -8.495 12.099 1.00 5.52 C ATOM 2313 CG GLU A 145 12.506 -8.942 11.669 1.00 42.23 C ATOM 2314 CD GLU A 145 13.584 -7.952 12.160 1.00 23.10 C ATOM 2315 OE1 GLU A 145 13.498 -7.449 13.307 1.00 44.21 O ATOM 2316 OE2 GLU A 145 14.490 -7.596 11.370 1.00 64.41 O ATOM 0 H GLU A 145 10.743 -9.240 9.726 1.00 73.15 H new ATOM 0 HA GLU A 145 9.980 -10.327 12.155 1.00 64.43 H new ATOM 0 HB2 GLU A 145 10.943 -7.483 11.728 1.00 5.52 H new ATOM 0 HB3 GLU A 145 11.084 -8.442 13.188 1.00 5.52 H new ATOM 0 HG2 GLU A 145 12.712 -9.935 12.068 1.00 42.23 H new ATOM 0 HG3 GLU A 145 12.548 -9.020 10.583 1.00 42.23 H new ATOM 2323 N GLU A 146 8.386 -7.517 11.273 1.00 21.32 N ATOM 2324 CA GLU A 146 7.268 -6.606 11.488 1.00 24.14 C ATOM 2325 C GLU A 146 5.945 -7.354 11.353 1.00 4.34 C ATOM 2326 O GLU A 146 5.071 -7.259 12.214 1.00 73.43 O ATOM 2327 CB GLU A 146 7.329 -5.466 10.466 1.00 24.32 C ATOM 2328 CG GLU A 146 8.613 -4.639 10.518 1.00 1.22 C ATOM 2329 CD GLU A 146 8.697 -3.720 11.732 1.00 2.53 C ATOM 2330 OE1 GLU A 146 7.740 -3.685 12.547 1.00 24.04 O ATOM 2331 OE2 GLU A 146 9.678 -2.956 11.814 1.00 43.31 O ATOM 0 H GLU A 146 8.995 -7.221 10.510 1.00 21.32 H new ATOM 0 HA GLU A 146 7.335 -6.193 12.494 1.00 24.14 H new ATOM 0 HB2 GLU A 146 7.222 -5.885 9.466 1.00 24.32 H new ATOM 0 HB3 GLU A 146 6.478 -4.804 10.627 1.00 24.32 H new ATOM 0 HG2 GLU A 146 9.470 -5.313 10.523 1.00 1.22 H new ATOM 0 HG3 GLU A 146 8.685 -4.038 9.612 1.00 1.22 H new ATOM 2338 N ASN A 147 5.823 -8.141 10.283 1.00 54.23 N ATOM 2339 CA ASN A 147 4.633 -8.929 10.004 1.00 14.11 C ATOM 2340 C ASN A 147 4.384 -9.988 11.063 1.00 72.24 C ATOM 2341 O ASN A 147 3.232 -10.374 11.251 1.00 23.11 O ATOM 2342 CB ASN A 147 4.776 -9.677 8.676 1.00 12.32 C ATOM 2343 CG ASN A 147 4.585 -8.811 7.455 1.00 51.52 C ATOM 2344 OD1 ASN A 147 4.173 -7.666 7.534 1.00 73.42 O ATOM 2345 ND2 ASN A 147 4.846 -9.372 6.288 1.00 24.23 N ATOM 0 H ASN A 147 6.557 -8.247 9.583 1.00 54.23 H new ATOM 0 HA ASN A 147 3.807 -8.218 9.980 1.00 14.11 H new ATOM 0 HB2 ASN A 147 5.765 -10.133 8.633 1.00 12.32 H new ATOM 0 HB3 ASN A 147 4.049 -10.489 8.649 1.00 12.32 H new ATOM 0 HD21 ASN A 147 4.704 -8.846 5.426 1.00 24.23 H new ATOM 0 HD22 ASN A 147 5.190 -10.331 6.249 1.00 24.23 H new ATOM 2352 N ALA A 148 5.432 -10.559 11.665 1.00 22.11 N ATOM 2353 CA ALA A 148 5.254 -11.553 12.711 1.00 2.30 C ATOM 2354 C ALA A 148 4.693 -10.881 13.954 1.00 14.10 C ATOM 2355 O ALA A 148 3.707 -11.375 14.493 1.00 43.54 O ATOM 2356 CB ALA A 148 6.563 -12.297 12.996 1.00 41.22 C ATOM 0 H ALA A 148 6.405 -10.347 11.443 1.00 22.11 H new ATOM 0 HA ALA A 148 4.540 -12.306 12.377 1.00 2.30 H new ATOM 0 HB1 ALA A 148 6.399 -13.034 13.782 1.00 41.22 H new ATOM 0 HB2 ALA A 148 6.899 -12.802 12.090 1.00 41.22 H new ATOM 0 HB3 ALA A 148 7.323 -11.585 13.318 1.00 41.22 H new ATOM 2362 N ALA A 149 5.249 -9.733 14.345 1.00 43.21 N ATOM 2363 CA ALA A 149 4.736 -8.963 15.465 1.00 70.35 C ATOM 2364 C ALA A 149 3.275 -8.566 15.248 1.00 12.24 C ATOM 2365 O ALA A 149 2.481 -8.721 16.174 1.00 11.12 O ATOM 2366 CB ALA A 149 5.607 -7.730 15.679 1.00 12.53 C ATOM 0 H ALA A 149 6.063 -9.318 13.893 1.00 43.21 H new ATOM 0 HA ALA A 149 4.772 -9.586 16.359 1.00 70.35 H new ATOM 0 HB1 ALA A 149 5.221 -7.153 16.520 1.00 12.53 H new ATOM 0 HB2 ALA A 149 6.630 -8.040 15.891 1.00 12.53 H new ATOM 0 HB3 ALA A 149 5.593 -7.114 14.780 1.00 12.53 H new ATOM 2372 N PHE A 150 2.915 -8.107 14.045 1.00 4.10 N ATOM 2373 CA PHE A 150 1.538 -7.750 13.726 1.00 3.11 C ATOM 2374 C PHE A 150 0.638 -8.979 13.836 1.00 4.40 C ATOM 2375 O PHE A 150 -0.337 -8.990 14.588 1.00 10.21 O ATOM 2376 CB PHE A 150 1.453 -7.101 12.334 1.00 13.31 C ATOM 2377 CG PHE A 150 0.074 -6.549 12.008 1.00 53.43 C ATOM 2378 CD1 PHE A 150 -0.954 -7.405 11.564 1.00 31.03 C ATOM 2379 CD2 PHE A 150 -0.202 -5.180 12.189 1.00 52.51 C ATOM 2380 CE1 PHE A 150 -2.237 -6.899 11.297 1.00 43.52 C ATOM 2381 CE2 PHE A 150 -1.490 -4.677 11.933 1.00 12.44 C ATOM 2382 CZ PHE A 150 -2.509 -5.533 11.482 1.00 14.41 C ATOM 0 H PHE A 150 3.568 -7.975 13.273 1.00 4.10 H new ATOM 0 HA PHE A 150 1.186 -7.013 14.447 1.00 3.11 H new ATOM 0 HB2 PHE A 150 2.183 -6.294 12.272 1.00 13.31 H new ATOM 0 HB3 PHE A 150 1.729 -7.838 11.580 1.00 13.31 H new ATOM 0 HD1 PHE A 150 -0.754 -8.458 11.428 1.00 31.03 H new ATOM 0 HD2 PHE A 150 0.579 -4.514 12.526 1.00 52.51 H new ATOM 0 HE1 PHE A 150 -3.016 -7.561 10.949 1.00 43.52 H new ATOM 0 HE2 PHE A 150 -1.697 -3.628 12.084 1.00 12.44 H new ATOM 0 HZ PHE A 150 -3.495 -5.143 11.279 1.00 14.41 H new ATOM 2392 N LYS A 151 0.949 -10.036 13.074 1.00 12.33 N ATOM 2393 CA LYS A 151 0.077 -11.199 12.974 1.00 42.54 C ATOM 2394 C LYS A 151 0.029 -11.995 14.282 1.00 71.33 C ATOM 2395 O LYS A 151 -0.867 -12.819 14.441 1.00 25.13 O ATOM 2396 CB LYS A 151 0.460 -12.033 11.742 1.00 32.01 C ATOM 2397 CG LYS A 151 1.527 -13.085 12.027 1.00 42.35 C ATOM 2398 CD LYS A 151 1.862 -13.929 10.790 1.00 42.44 C ATOM 2399 CE LYS A 151 2.720 -13.174 9.765 1.00 71.03 C ATOM 2400 NZ LYS A 151 4.168 -13.367 9.992 1.00 13.43 N ATOM 0 H LYS A 151 1.802 -10.103 12.519 1.00 12.33 H new ATOM 0 HA LYS A 151 -0.950 -10.867 12.822 1.00 42.54 H new ATOM 0 HB2 LYS A 151 -0.432 -12.527 11.356 1.00 32.01 H new ATOM 0 HB3 LYS A 151 0.819 -11.366 10.959 1.00 32.01 H new ATOM 0 HG2 LYS A 151 2.432 -12.593 12.384 1.00 42.35 H new ATOM 0 HG3 LYS A 151 1.183 -13.740 12.828 1.00 42.35 H new ATOM 0 HD2 LYS A 151 2.389 -14.830 11.103 1.00 42.44 H new ATOM 0 HD3 LYS A 151 0.936 -14.250 10.314 1.00 42.44 H new ATOM 0 HE2 LYS A 151 2.464 -13.512 8.761 1.00 71.03 H new ATOM 0 HE3 LYS A 151 2.486 -12.110 9.812 1.00 71.03 H new ATOM 0 HZ1 LYS A 151 4.642 -12.442 10.018 1.00 13.43 H new ATOM 0 HZ2 LYS A 151 4.315 -13.857 10.898 1.00 13.43 H new ATOM 0 HZ3 LYS A 151 4.567 -13.939 9.220 1.00 13.43 H new ATOM 2414 N GLU A 152 0.968 -11.773 15.208 1.00 54.34 N ATOM 2415 CA GLU A 152 0.914 -12.322 16.552 1.00 11.42 C ATOM 2416 C GLU A 152 -0.430 -11.943 17.181 1.00 50.52 C ATOM 2417 O GLU A 152 -1.133 -12.812 17.704 1.00 64.14 O ATOM 2418 CB GLU A 152 2.111 -11.811 17.385 1.00 72.25 C ATOM 2419 CG GLU A 152 2.126 -12.379 18.809 1.00 34.01 C ATOM 2420 CD GLU A 152 3.298 -11.923 19.691 1.00 44.24 C ATOM 2421 OE1 GLU A 152 4.101 -11.037 19.298 1.00 31.34 O ATOM 2422 OE2 GLU A 152 3.426 -12.504 20.794 1.00 14.22 O ATOM 0 H GLU A 152 1.793 -11.199 15.035 1.00 54.34 H new ATOM 0 HA GLU A 152 0.989 -13.409 16.524 1.00 11.42 H new ATOM 0 HB2 GLU A 152 3.040 -12.079 16.881 1.00 72.25 H new ATOM 0 HB3 GLU A 152 2.077 -10.723 17.433 1.00 72.25 H new ATOM 0 HG2 GLU A 152 1.194 -12.102 19.302 1.00 34.01 H new ATOM 0 HG3 GLU A 152 2.143 -13.467 18.747 1.00 34.01 H new ATOM 2429 N ILE A 153 -0.778 -10.657 17.112 1.00 74.41 N ATOM 2430 CA ILE A 153 -1.951 -10.074 17.745 1.00 33.13 C ATOM 2431 C ILE A 153 -3.137 -10.170 16.783 1.00 63.33 C ATOM 2432 O ILE A 153 -4.204 -10.650 17.167 1.00 10.54 O ATOM 2433 CB ILE A 153 -1.672 -8.606 18.135 1.00 10.51 C ATOM 2434 CG1 ILE A 153 -0.279 -8.421 18.793 1.00 32.44 C ATOM 2435 CG2 ILE A 153 -2.790 -8.102 19.070 1.00 32.24 C ATOM 2436 CD1 ILE A 153 0.074 -6.992 19.208 1.00 11.44 C ATOM 0 H ILE A 153 -0.227 -9.972 16.594 1.00 74.41 H new ATOM 0 HA ILE A 153 -2.189 -10.622 18.657 1.00 33.13 H new ATOM 0 HB ILE A 153 -1.663 -8.013 17.221 1.00 10.51 H new ATOM 0 HG12 ILE A 153 -0.227 -9.059 19.675 1.00 32.44 H new ATOM 0 HG13 ILE A 153 0.481 -8.776 18.097 1.00 32.44 H new ATOM 0 HG21 ILE A 153 -2.594 -7.066 19.346 1.00 32.24 H new ATOM 0 HG22 ILE A 153 -3.750 -8.166 18.557 1.00 32.24 H new ATOM 0 HG23 ILE A 153 -2.818 -8.718 19.969 1.00 32.24 H new ATOM 0 HD11 ILE A 153 1.068 -6.978 19.656 1.00 11.44 H new ATOM 0 HD12 ILE A 153 0.063 -6.345 18.331 1.00 11.44 H new ATOM 0 HD13 ILE A 153 -0.656 -6.633 19.933 1.00 11.44 H new ATOM 2448 N HIS A 154 -2.943 -9.735 15.534 1.00 42.54 N ATOM 2449 CA HIS A 154 -3.977 -9.574 14.523 1.00 11.52 C ATOM 2450 C HIS A 154 -3.707 -10.500 13.323 1.00 21.43 C ATOM 2451 O HIS A 154 -3.369 -10.026 12.236 1.00 44.15 O ATOM 2452 CB HIS A 154 -4.098 -8.075 14.169 1.00 33.32 C ATOM 2453 CG HIS A 154 -5.285 -7.420 14.820 1.00 12.34 C ATOM 2454 ND1 HIS A 154 -6.605 -7.746 14.593 1.00 2.11 N ATOM 2455 CD2 HIS A 154 -5.254 -6.387 15.714 1.00 33.31 C ATOM 2456 CE1 HIS A 154 -7.363 -6.936 15.347 1.00 34.20 C ATOM 2457 NE2 HIS A 154 -6.586 -6.078 16.026 1.00 54.44 N ATOM 0 H HIS A 154 -2.018 -9.476 15.191 1.00 42.54 H new ATOM 0 HA HIS A 154 -4.951 -9.885 14.901 1.00 11.52 H new ATOM 0 HB2 HIS A 154 -3.189 -7.558 14.477 1.00 33.32 H new ATOM 0 HB3 HIS A 154 -4.176 -7.966 13.087 1.00 33.32 H new ATOM 0 HD2 HIS A 154 -4.372 -5.901 16.105 1.00 33.31 H new ATOM 0 HE1 HIS A 154 -8.441 -6.969 15.400 1.00 34.20 H new ATOM 0 HE2 HIS A 154 -6.905 -5.339 16.652 1.00 54.44 H new ATOM 2465 N PRO A 155 -3.862 -11.827 13.485 1.00 71.45 N ATOM 2466 CA PRO A 155 -3.705 -12.800 12.408 1.00 52.44 C ATOM 2467 C PRO A 155 -4.884 -12.751 11.437 1.00 3.43 C ATOM 2468 O PRO A 155 -5.983 -12.304 11.835 1.00 34.31 O ATOM 2469 CB PRO A 155 -3.639 -14.166 13.096 1.00 44.12 C ATOM 2470 CG PRO A 155 -4.494 -13.954 14.342 1.00 64.13 C ATOM 2471 CD PRO A 155 -4.210 -12.504 14.723 1.00 33.32 C ATOM 0 HA PRO A 155 -2.812 -12.593 11.819 1.00 52.44 H new ATOM 0 HB2 PRO A 155 -4.036 -14.959 12.462 1.00 44.12 H new ATOM 0 HB3 PRO A 155 -2.616 -14.443 13.349 1.00 44.12 H new ATOM 0 HG2 PRO A 155 -5.552 -14.115 14.136 1.00 64.13 H new ATOM 0 HG3 PRO A 155 -4.217 -14.641 15.141 1.00 64.13 H new ATOM 0 HD2 PRO A 155 -5.082 -12.044 15.188 1.00 33.32 H new ATOM 0 HD3 PRO A 155 -3.395 -12.442 15.444 1.00 33.32 H new TER 2479 PRO A 155