USER MOD reduce.3.24.130724 H: found=0, std=0, add=1213, rem=0, adj=36 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= 0.276 K(o=0.82,f=-0.015) USER MOD Set 1.2: A 142 ASN : amide:sc= 0.541 K(o=0.82,f=0) USER MOD Set 2.1: A 32 LYS NZ :NH3+ 147:sc= 0.348 (180deg=0) USER MOD Set 2.2: A 112 GLN : amide:sc= -1.76! C(o=-1.4!,f=-2.6!) USER MOD Set 3.1: A 74 GLN : amide:sc= 0.0413 K(o=0.32,f=-2.9!) USER MOD Set 3.2: A 98 TYR OH : rot 180:sc= 0.28 USER MOD Set 4.1: A 64 SER OG : rot 180:sc= 0.153 USER MOD Set 4.2: A 68 LYS NZ :NH3+ 150:sc= 0.152 (180deg=0.141) USER MOD Set 5.1: A 3 SER OG : rot 7:sc= 1.12 USER MOD Set 5.2: A 8 GLN : amide:sc= 0.461 K(o=1.6,f=0.94) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0147 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -39:sc= 0.35 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.204 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 6:sc= 0.114 USER MOD Single : A 22 SER OG : rot -32:sc= 0.394 USER MOD Single : A 23 SER OG : rot 180:sc= -0.168 USER MOD Single : A 27 GLN : amide:sc= 2.36 K(o=2.4,f=-6.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -45:sc= 0.00952 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00906 USER MOD Single : A 40 THR OG1 : rot 82:sc= 0.0022 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0863 USER MOD Single : A 55 THR OG1 : rot 168:sc= 1.27 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.04) USER MOD Single : A 66 THR OG1 : rot -170:sc= 0 USER MOD Single : A 67 MET CE :methyl 170:sc= 0 (180deg=-0.126) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 87 ASN : amide:sc= 0.751 K(o=0.75,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.26) USER MOD Single : A 92 LYS NZ :NH3+ -112:sc= 0.894 (180deg=-0.76) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 6:sc= 0.366 USER MOD Single : A 122 CYS SG : rot 171:sc= -0.21 USER MOD Single : A 123 TYR OH : rot 176:sc= 0.0199 USER MOD Single : A 124 THR OG1 : rot 160:sc= 0 USER MOD Single : A 127 TYR OH : rot 70:sc= -0.0911 USER MOD Single : A 129 TYR OH : rot -176:sc= 1.25 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.00247 USER MOD Single : A 141 GLN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 144 LYS NZ :NH3+ -169:sc= -0.405 (180deg=-0.477) USER MOD Single : A 147 ASN : amide:sc= 0.00415 K(o=0.0041,f=-9.2!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.813 -11.810 3.437 1.00 62.33 N ATOM 2 CA GLY A 1 -20.743 -10.852 2.328 1.00 73.44 C ATOM 3 C GLY A 1 -22.083 -10.166 2.192 1.00 3.04 C ATOM 4 O GLY A 1 -23.106 -10.851 2.167 1.00 33.53 O ATOM 0 H1 GLY A 1 -20.261 -12.658 3.198 1.00 62.33 H new ATOM 0 H2 GLY A 1 -20.424 -11.374 4.297 1.00 62.33 H new ATOM 0 H3 GLY A 1 -21.804 -12.077 3.603 1.00 62.33 H new ATOM 0 HA2 GLY A 1 -19.960 -10.117 2.513 1.00 73.44 H new ATOM 0 HA3 GLY A 1 -20.486 -11.365 1.401 1.00 73.44 H new ATOM 8 N ASP A 2 -22.110 -8.833 2.153 1.00 53.00 N ATOM 9 CA ASP A 2 -23.372 -8.102 2.043 1.00 14.03 C ATOM 10 C ASP A 2 -24.024 -8.440 0.703 1.00 1.03 C ATOM 11 O ASP A 2 -23.299 -8.628 -0.280 1.00 30.31 O ATOM 12 CB ASP A 2 -23.128 -6.591 2.174 1.00 34.53 C ATOM 13 CG ASP A 2 -24.429 -5.848 2.466 1.00 54.30 C ATOM 14 OD1 ASP A 2 -25.211 -6.371 3.286 1.00 70.41 O ATOM 15 OD2 ASP A 2 -24.628 -4.719 1.964 1.00 33.25 O ATOM 0 H ASP A 2 -21.280 -8.242 2.196 1.00 53.00 H new ATOM 0 HA ASP A 2 -24.042 -8.398 2.850 1.00 14.03 H new ATOM 0 HB2 ASP A 2 -22.411 -6.403 2.973 1.00 34.53 H new ATOM 0 HB3 ASP A 2 -22.686 -6.210 1.253 1.00 34.53 H new ATOM 20 N SER A 3 -25.349 -8.597 0.647 1.00 25.53 N ATOM 21 CA SER A 3 -26.090 -8.920 -0.568 1.00 62.34 C ATOM 22 C SER A 3 -27.569 -8.640 -0.361 1.00 73.14 C ATOM 23 O SER A 3 -28.084 -8.840 0.736 1.00 25.12 O ATOM 24 CB SER A 3 -25.952 -10.410 -0.897 1.00 50.20 C ATOM 25 OG SER A 3 -24.646 -10.684 -1.374 1.00 44.14 O ATOM 0 H SER A 3 -25.948 -8.500 1.467 1.00 25.53 H new ATOM 0 HA SER A 3 -25.687 -8.311 -1.377 1.00 62.34 H new ATOM 0 HB2 SER A 3 -26.156 -11.007 -0.008 1.00 50.20 H new ATOM 0 HB3 SER A 3 -26.689 -10.694 -1.648 1.00 50.20 H new ATOM 0 HG SER A 3 -24.091 -9.881 -1.287 1.00 44.14 H new ATOM 31 N GLU A 4 -28.267 -8.281 -1.437 1.00 34.51 N ATOM 32 CA GLU A 4 -29.708 -8.124 -1.445 1.00 31.14 C ATOM 33 C GLU A 4 -30.275 -8.584 -2.800 1.00 22.55 C ATOM 34 O GLU A 4 -29.565 -9.180 -3.619 1.00 11.24 O ATOM 35 CB GLU A 4 -30.069 -6.658 -1.091 1.00 25.45 C ATOM 36 CG GLU A 4 -30.454 -6.424 0.383 1.00 44.44 C ATOM 37 CD GLU A 4 -29.390 -5.716 1.233 1.00 4.05 C ATOM 38 OE1 GLU A 4 -28.924 -4.623 0.821 1.00 51.00 O ATOM 39 OE2 GLU A 4 -29.079 -6.215 2.340 1.00 21.41 O ATOM 0 H GLU A 4 -27.833 -8.089 -2.340 1.00 34.51 H new ATOM 0 HA GLU A 4 -30.169 -8.756 -0.686 1.00 31.14 H new ATOM 0 HB2 GLU A 4 -29.219 -6.020 -1.335 1.00 25.45 H new ATOM 0 HB3 GLU A 4 -30.898 -6.340 -1.723 1.00 25.45 H new ATOM 0 HG2 GLU A 4 -31.371 -5.835 0.413 1.00 44.44 H new ATOM 0 HG3 GLU A 4 -30.679 -7.388 0.840 1.00 44.44 H new ATOM 46 N LEU A 5 -31.574 -8.348 -3.015 1.00 11.15 N ATOM 47 CA LEU A 5 -32.228 -8.377 -4.320 1.00 35.22 C ATOM 48 C LEU A 5 -31.605 -7.301 -5.224 1.00 24.24 C ATOM 49 O LEU A 5 -30.810 -6.490 -4.765 1.00 32.13 O ATOM 50 CB LEU A 5 -33.744 -8.127 -4.146 1.00 33.25 C ATOM 51 CG LEU A 5 -34.584 -9.377 -3.817 1.00 72.14 C ATOM 52 CD1 LEU A 5 -34.238 -10.011 -2.465 1.00 64.10 C ATOM 53 CD2 LEU A 5 -36.072 -9.000 -3.818 1.00 42.03 C ATOM 0 H LEU A 5 -32.218 -8.124 -2.256 1.00 11.15 H new ATOM 0 HA LEU A 5 -32.087 -9.353 -4.783 1.00 35.22 H new ATOM 0 HB2 LEU A 5 -33.886 -7.395 -3.351 1.00 33.25 H new ATOM 0 HB3 LEU A 5 -34.130 -7.681 -5.063 1.00 33.25 H new ATOM 0 HG LEU A 5 -34.356 -10.116 -4.585 1.00 72.14 H new ATOM 0 HD11 LEU A 5 -34.868 -10.885 -2.301 1.00 64.10 H new ATOM 0 HD12 LEU A 5 -33.191 -10.313 -2.462 1.00 64.10 H new ATOM 0 HD13 LEU A 5 -34.409 -9.286 -1.669 1.00 64.10 H new ATOM 0 HD21 LEU A 5 -36.671 -9.881 -3.586 1.00 42.03 H new ATOM 0 HD22 LEU A 5 -36.253 -8.230 -3.068 1.00 42.03 H new ATOM 0 HD23 LEU A 5 -36.351 -8.621 -4.801 1.00 42.03 H new ATOM 65 N THR A 6 -31.984 -7.295 -6.508 1.00 44.13 N ATOM 66 CA THR A 6 -31.507 -6.387 -7.560 1.00 4.14 C ATOM 67 C THR A 6 -29.973 -6.403 -7.729 1.00 31.05 C ATOM 68 O THR A 6 -29.439 -5.551 -8.435 1.00 32.42 O ATOM 69 CB THR A 6 -32.178 -4.990 -7.468 1.00 4.15 C ATOM 70 OG1 THR A 6 -31.994 -4.272 -8.668 1.00 12.24 O ATOM 71 CG2 THR A 6 -31.749 -4.072 -6.317 1.00 53.12 C ATOM 0 H THR A 6 -32.671 -7.961 -6.861 1.00 44.13 H new ATOM 0 HA THR A 6 -31.848 -6.778 -8.519 1.00 4.14 H new ATOM 0 HB THR A 6 -33.219 -5.247 -7.271 1.00 4.15 H new ATOM 0 HG1 THR A 6 -31.092 -4.437 -9.013 1.00 12.24 H new ATOM 0 HG21 THR A 6 -32.298 -3.132 -6.377 1.00 53.12 H new ATOM 0 HG22 THR A 6 -31.964 -4.557 -5.365 1.00 53.12 H new ATOM 0 HG23 THR A 6 -30.680 -3.873 -6.389 1.00 53.12 H new ATOM 79 N THR A 7 -29.296 -7.425 -7.178 1.00 12.21 N ATOM 80 CA THR A 7 -27.855 -7.641 -7.245 1.00 12.43 C ATOM 81 C THR A 7 -27.101 -6.370 -6.793 1.00 71.13 C ATOM 82 O THR A 7 -27.663 -5.555 -6.053 1.00 44.32 O ATOM 83 CB THR A 7 -27.476 -8.367 -8.570 1.00 2.43 C ATOM 84 OG1 THR A 7 -26.088 -8.627 -8.693 1.00 3.14 O ATOM 85 CG2 THR A 7 -27.952 -7.706 -9.868 1.00 14.53 C ATOM 0 H THR A 7 -29.771 -8.156 -6.648 1.00 12.21 H new ATOM 0 HA THR A 7 -27.488 -8.361 -6.514 1.00 12.43 H new ATOM 0 HB THR A 7 -28.031 -9.299 -8.461 1.00 2.43 H new ATOM 0 HG1 THR A 7 -25.915 -9.084 -9.542 1.00 3.14 H new ATOM 0 HG21 THR A 7 -27.628 -8.303 -10.720 1.00 14.53 H new ATOM 0 HG22 THR A 7 -29.040 -7.639 -9.864 1.00 14.53 H new ATOM 0 HG23 THR A 7 -27.527 -6.705 -9.944 1.00 14.53 H new ATOM 93 N GLN A 8 -25.801 -6.266 -7.068 1.00 2.31 N ATOM 94 CA GLN A 8 -24.938 -5.236 -6.507 1.00 23.02 C ATOM 95 C GLN A 8 -24.018 -4.701 -7.589 1.00 41.20 C ATOM 96 O GLN A 8 -23.450 -5.476 -8.364 1.00 73.10 O ATOM 97 CB GLN A 8 -24.125 -5.794 -5.328 1.00 42.31 C ATOM 98 CG GLN A 8 -25.010 -6.190 -4.140 1.00 21.51 C ATOM 99 CD GLN A 8 -24.174 -6.629 -2.947 1.00 12.32 C ATOM 100 OE1 GLN A 8 -24.001 -5.885 -1.989 1.00 62.23 O ATOM 101 NE2 GLN A 8 -23.646 -7.839 -2.948 1.00 0.01 N ATOM 0 H GLN A 8 -25.314 -6.906 -7.696 1.00 2.31 H new ATOM 0 HA GLN A 8 -25.555 -4.420 -6.131 1.00 23.02 H new ATOM 0 HB2 GLN A 8 -23.558 -6.664 -5.661 1.00 42.31 H new ATOM 0 HB3 GLN A 8 -23.401 -5.047 -5.004 1.00 42.31 H new ATOM 0 HG2 GLN A 8 -25.638 -5.346 -3.855 1.00 21.51 H new ATOM 0 HG3 GLN A 8 -25.678 -6.999 -4.436 1.00 21.51 H new ATOM 0 HE21 GLN A 8 -23.790 -8.458 -3.746 1.00 0.01 H new ATOM 0 HE22 GLN A 8 -23.094 -8.155 -2.151 1.00 0.01 H new ATOM 110 N ASP A 9 -23.818 -3.386 -7.610 1.00 12.43 N ATOM 111 CA ASP A 9 -22.978 -2.688 -8.587 1.00 34.15 C ATOM 112 C ASP A 9 -21.487 -2.753 -8.220 1.00 71.44 C ATOM 113 O ASP A 9 -20.634 -2.125 -8.859 1.00 23.05 O ATOM 114 CB ASP A 9 -23.462 -1.237 -8.753 1.00 20.05 C ATOM 115 CG ASP A 9 -24.820 -1.143 -9.451 1.00 44.43 C ATOM 116 OD1 ASP A 9 -24.857 -1.149 -10.705 1.00 33.14 O ATOM 117 OD2 ASP A 9 -25.859 -1.052 -8.767 1.00 54.13 O ATOM 0 H ASP A 9 -24.246 -2.757 -6.931 1.00 12.43 H new ATOM 0 HA ASP A 9 -23.077 -3.198 -9.545 1.00 34.15 H new ATOM 0 HB2 ASP A 9 -23.529 -0.766 -7.772 1.00 20.05 H new ATOM 0 HB3 ASP A 9 -22.724 -0.676 -9.326 1.00 20.05 H new ATOM 122 N GLY A 10 -21.159 -3.529 -7.195 1.00 72.11 N ATOM 123 CA GLY A 10 -19.864 -3.690 -6.583 1.00 71.04 C ATOM 124 C GLY A 10 -20.044 -3.845 -5.078 1.00 64.11 C ATOM 125 O GLY A 10 -21.030 -3.378 -4.497 1.00 12.15 O ATOM 0 H GLY A 10 -21.861 -4.110 -6.737 1.00 72.11 H new ATOM 0 HA2 GLY A 10 -19.359 -4.564 -6.994 1.00 71.04 H new ATOM 0 HA3 GLY A 10 -19.235 -2.827 -6.800 1.00 71.04 H new ATOM 129 N GLU A 11 -19.063 -4.487 -4.459 1.00 32.12 N ATOM 130 CA GLU A 11 -18.781 -4.443 -3.037 1.00 34.13 C ATOM 131 C GLU A 11 -18.600 -2.974 -2.639 1.00 22.32 C ATOM 132 O GLU A 11 -18.080 -2.178 -3.431 1.00 3.01 O ATOM 133 CB GLU A 11 -17.504 -5.262 -2.774 1.00 71.32 C ATOM 134 CG GLU A 11 -17.298 -5.652 -1.317 1.00 30.23 C ATOM 135 CD GLU A 11 -16.490 -6.944 -1.126 1.00 24.34 C ATOM 136 OE1 GLU A 11 -17.107 -8.039 -1.141 1.00 23.12 O ATOM 137 OE2 GLU A 11 -15.254 -6.890 -0.904 1.00 51.23 O ATOM 0 H GLU A 11 -18.409 -5.084 -4.966 1.00 32.12 H new ATOM 0 HA GLU A 11 -19.591 -4.869 -2.445 1.00 34.13 H new ATOM 0 HB2 GLU A 11 -17.537 -6.168 -3.379 1.00 71.32 H new ATOM 0 HB3 GLU A 11 -16.642 -4.686 -3.109 1.00 71.32 H new ATOM 0 HG2 GLU A 11 -16.789 -4.837 -0.802 1.00 30.23 H new ATOM 0 HG3 GLU A 11 -18.272 -5.771 -0.842 1.00 30.23 H new ATOM 144 N ASP A 12 -19.001 -2.594 -1.429 1.00 63.53 N ATOM 145 CA ASP A 12 -18.771 -1.237 -0.938 1.00 74.33 C ATOM 146 C ASP A 12 -17.287 -1.005 -0.685 1.00 65.54 C ATOM 147 O ASP A 12 -16.536 -1.959 -0.446 1.00 1.04 O ATOM 148 CB ASP A 12 -19.490 -0.998 0.388 1.00 34.13 C ATOM 149 CG ASP A 12 -19.480 0.479 0.795 1.00 62.30 C ATOM 150 OD1 ASP A 12 -19.560 1.359 -0.089 1.00 71.50 O ATOM 151 OD2 ASP A 12 -19.181 0.733 1.983 1.00 1.21 O ATOM 0 H ASP A 12 -19.486 -3.204 -0.771 1.00 63.53 H new ATOM 0 HA ASP A 12 -19.150 -0.559 -1.702 1.00 74.33 H new ATOM 0 HB2 ASP A 12 -20.521 -1.344 0.308 1.00 34.13 H new ATOM 0 HB3 ASP A 12 -19.015 -1.591 1.169 1.00 34.13 H new ATOM 156 N PHE A 13 -16.892 0.265 -0.595 1.00 25.42 N ATOM 157 CA PHE A 13 -15.604 0.665 -0.060 1.00 65.22 C ATOM 158 C PHE A 13 -15.396 0.006 1.304 1.00 11.44 C ATOM 159 O PHE A 13 -14.430 -0.726 1.508 1.00 51.00 O ATOM 160 CB PHE A 13 -15.514 2.196 0.073 1.00 74.44 C ATOM 161 CG PHE A 13 -15.896 3.004 -1.151 1.00 34.11 C ATOM 162 CD1 PHE A 13 -14.926 3.351 -2.109 1.00 32.42 C ATOM 163 CD2 PHE A 13 -17.221 3.456 -1.304 1.00 52.41 C ATOM 164 CE1 PHE A 13 -15.277 4.172 -3.194 1.00 32.53 C ATOM 165 CE2 PHE A 13 -17.583 4.226 -2.422 1.00 22.33 C ATOM 166 CZ PHE A 13 -16.608 4.591 -3.363 1.00 41.01 C ATOM 0 H PHE A 13 -17.470 1.050 -0.897 1.00 25.42 H new ATOM 0 HA PHE A 13 -14.823 0.341 -0.747 1.00 65.22 H new ATOM 0 HB2 PHE A 13 -16.154 2.505 0.899 1.00 74.44 H new ATOM 0 HB3 PHE A 13 -14.492 2.455 0.348 1.00 74.44 H new ATOM 0 HD1 PHE A 13 -13.914 2.987 -2.011 1.00 32.42 H new ATOM 0 HD2 PHE A 13 -17.962 3.210 -0.558 1.00 52.41 H new ATOM 0 HE1 PHE A 13 -14.521 4.482 -3.901 1.00 32.53 H new ATOM 0 HE2 PHE A 13 -18.609 4.536 -2.557 1.00 22.33 H new ATOM 0 HZ PHE A 13 -16.880 5.194 -4.217 1.00 41.01 H new ATOM 176 N LYS A 14 -16.292 0.259 2.263 1.00 61.22 N ATOM 177 CA LYS A 14 -16.107 -0.207 3.633 1.00 1.32 C ATOM 178 C LYS A 14 -16.264 -1.719 3.711 1.00 54.44 C ATOM 179 O LYS A 14 -15.550 -2.350 4.487 1.00 62.11 O ATOM 180 CB LYS A 14 -17.093 0.513 4.561 1.00 72.11 C ATOM 181 CG LYS A 14 -16.840 2.025 4.648 1.00 30.53 C ATOM 182 CD LYS A 14 -15.691 2.368 5.609 1.00 42.33 C ATOM 183 CE LYS A 14 -16.260 2.580 7.014 1.00 43.21 C ATOM 184 NZ LYS A 14 -15.225 2.454 8.054 1.00 63.31 N ATOM 0 H LYS A 14 -17.153 0.785 2.111 1.00 61.22 H new ATOM 0 HA LYS A 14 -15.095 0.030 3.961 1.00 1.32 H new ATOM 0 HB2 LYS A 14 -18.109 0.340 4.207 1.00 72.11 H new ATOM 0 HB3 LYS A 14 -17.026 0.081 5.559 1.00 72.11 H new ATOM 0 HG2 LYS A 14 -16.608 2.410 3.655 1.00 30.53 H new ATOM 0 HG3 LYS A 14 -17.750 2.525 4.979 1.00 30.53 H new ATOM 0 HD2 LYS A 14 -14.956 1.563 5.618 1.00 42.33 H new ATOM 0 HD3 LYS A 14 -15.175 3.267 5.273 1.00 42.33 H new ATOM 0 HE2 LYS A 14 -16.716 3.568 7.075 1.00 43.21 H new ATOM 0 HE3 LYS A 14 -17.050 1.852 7.199 1.00 43.21 H new ATOM 0 HZ1 LYS A 14 -15.653 2.605 8.990 1.00 63.31 H new ATOM 0 HZ2 LYS A 14 -14.806 1.503 8.014 1.00 63.31 H new ATOM 0 HZ3 LYS A 14 -14.484 3.165 7.894 1.00 63.31 H new ATOM 198 N SER A 15 -17.111 -2.316 2.865 1.00 65.30 N ATOM 199 CA SER A 15 -17.292 -3.759 2.824 1.00 24.31 C ATOM 200 C SER A 15 -15.939 -4.449 2.615 1.00 54.43 C ATOM 201 O SER A 15 -15.617 -5.401 3.332 1.00 10.42 O ATOM 202 CB SER A 15 -18.323 -4.184 1.767 1.00 30.12 C ATOM 203 OG SER A 15 -19.108 -5.256 2.243 1.00 54.32 O ATOM 0 H SER A 15 -17.686 -1.808 2.193 1.00 65.30 H new ATOM 0 HA SER A 15 -17.697 -4.079 3.784 1.00 24.31 H new ATOM 0 HB2 SER A 15 -18.965 -3.339 1.517 1.00 30.12 H new ATOM 0 HB3 SER A 15 -17.812 -4.479 0.850 1.00 30.12 H new ATOM 0 HG SER A 15 -19.760 -5.513 1.558 1.00 54.32 H new ATOM 209 N PHE A 16 -15.108 -3.957 1.686 1.00 24.24 N ATOM 210 CA PHE A 16 -13.799 -4.561 1.472 1.00 1.14 C ATOM 211 C PHE A 16 -12.765 -4.067 2.494 1.00 74.30 C ATOM 212 O PHE A 16 -11.977 -4.879 2.989 1.00 31.23 O ATOM 213 CB PHE A 16 -13.343 -4.389 0.015 1.00 71.10 C ATOM 214 CG PHE A 16 -12.508 -3.164 -0.288 1.00 73.13 C ATOM 215 CD1 PHE A 16 -11.136 -3.168 0.015 1.00 62.41 C ATOM 216 CD2 PHE A 16 -13.088 -2.025 -0.873 1.00 5.32 C ATOM 217 CE1 PHE A 16 -10.363 -2.032 -0.252 1.00 63.52 C ATOM 218 CE2 PHE A 16 -12.298 -0.905 -1.185 1.00 14.25 C ATOM 219 CZ PHE A 16 -10.931 -0.911 -0.877 1.00 11.45 C ATOM 0 H PHE A 16 -15.318 -3.160 1.086 1.00 24.24 H new ATOM 0 HA PHE A 16 -13.890 -5.633 1.644 1.00 1.14 H new ATOM 0 HB2 PHE A 16 -12.771 -5.272 -0.270 1.00 71.10 H new ATOM 0 HB3 PHE A 16 -14.229 -4.364 -0.620 1.00 71.10 H new ATOM 0 HD1 PHE A 16 -10.680 -4.044 0.452 1.00 62.41 H new ATOM 0 HD2 PHE A 16 -14.147 -2.010 -1.084 1.00 5.32 H new ATOM 0 HE1 PHE A 16 -9.319 -2.018 0.026 1.00 63.52 H new ATOM 0 HE2 PHE A 16 -12.743 -0.043 -1.660 1.00 14.25 H new ATOM 0 HZ PHE A 16 -10.317 -0.056 -1.120 1.00 11.45 H new ATOM 229 N LEU A 17 -12.744 -2.762 2.791 1.00 12.34 N ATOM 230 CA LEU A 17 -11.696 -2.106 3.577 1.00 24.21 C ATOM 231 C LEU A 17 -11.715 -2.604 5.028 1.00 3.04 C ATOM 232 O LEU A 17 -10.660 -2.727 5.642 1.00 3.25 O ATOM 233 CB LEU A 17 -11.838 -0.573 3.454 1.00 52.11 C ATOM 234 CG LEU A 17 -10.568 0.303 3.519 1.00 41.32 C ATOM 235 CD1 LEU A 17 -9.862 0.306 4.868 1.00 71.43 C ATOM 236 CD2 LEU A 17 -9.551 -0.031 2.428 1.00 1.45 C ATOM 0 H LEU A 17 -13.473 -2.119 2.483 1.00 12.34 H new ATOM 0 HA LEU A 17 -10.715 -2.370 3.182 1.00 24.21 H new ATOM 0 HB2 LEU A 17 -12.335 -0.363 2.507 1.00 52.11 H new ATOM 0 HB3 LEU A 17 -12.509 -0.240 4.246 1.00 52.11 H new ATOM 0 HG LEU A 17 -10.960 1.306 3.352 1.00 41.32 H new ATOM 0 HD11 LEU A 17 -8.983 0.948 4.817 1.00 71.43 H new ATOM 0 HD12 LEU A 17 -10.541 0.681 5.633 1.00 71.43 H new ATOM 0 HD13 LEU A 17 -9.556 -0.709 5.121 1.00 71.43 H new ATOM 0 HD21 LEU A 17 -8.682 0.619 2.529 1.00 1.45 H new ATOM 0 HD22 LEU A 17 -9.239 -1.071 2.527 1.00 1.45 H new ATOM 0 HD23 LEU A 17 -10.005 0.120 1.449 1.00 1.45 H new ATOM 248 N ASP A 18 -12.888 -2.995 5.536 1.00 51.44 N ATOM 249 CA ASP A 18 -13.084 -3.708 6.804 1.00 42.24 C ATOM 250 C ASP A 18 -12.149 -4.917 6.893 1.00 14.32 C ATOM 251 O ASP A 18 -11.199 -4.907 7.674 1.00 41.30 O ATOM 252 CB ASP A 18 -14.567 -4.093 6.910 1.00 65.31 C ATOM 253 CG ASP A 18 -14.952 -5.121 7.980 1.00 42.41 C ATOM 254 OD1 ASP A 18 -14.141 -5.482 8.855 1.00 62.52 O ATOM 255 OD2 ASP A 18 -16.115 -5.582 7.903 1.00 23.12 O ATOM 0 H ASP A 18 -13.768 -2.815 5.053 1.00 51.44 H new ATOM 0 HA ASP A 18 -12.830 -3.071 7.651 1.00 42.24 H new ATOM 0 HB2 ASP A 18 -15.139 -3.184 7.095 1.00 65.31 H new ATOM 0 HB3 ASP A 18 -14.885 -4.479 5.942 1.00 65.31 H new ATOM 260 N LYS A 19 -12.343 -5.940 6.049 1.00 63.12 N ATOM 261 CA LYS A 19 -11.476 -7.103 6.045 1.00 44.30 C ATOM 262 C LYS A 19 -10.040 -6.719 5.741 1.00 70.32 C ATOM 263 O LYS A 19 -9.141 -7.391 6.250 1.00 42.44 O ATOM 264 CB LYS A 19 -11.951 -8.147 5.037 1.00 44.20 C ATOM 265 CG LYS A 19 -13.018 -9.091 5.580 1.00 22.43 C ATOM 266 CD LYS A 19 -12.975 -10.435 4.852 1.00 30.34 C ATOM 267 CE LYS A 19 -14.086 -11.399 5.270 1.00 70.32 C ATOM 268 NZ LYS A 19 -13.983 -11.817 6.681 1.00 42.40 N ATOM 0 H LYS A 19 -13.097 -5.976 5.363 1.00 63.12 H new ATOM 0 HA LYS A 19 -11.520 -7.535 7.045 1.00 44.30 H new ATOM 0 HB2 LYS A 19 -12.345 -7.636 4.158 1.00 44.20 H new ATOM 0 HB3 LYS A 19 -11.094 -8.735 4.707 1.00 44.20 H new ATOM 0 HG2 LYS A 19 -12.864 -9.246 6.648 1.00 22.43 H new ATOM 0 HG3 LYS A 19 -14.003 -8.640 5.462 1.00 22.43 H new ATOM 0 HD2 LYS A 19 -13.045 -10.259 3.779 1.00 30.34 H new ATOM 0 HD3 LYS A 19 -12.010 -10.906 5.036 1.00 30.34 H new ATOM 0 HE2 LYS A 19 -15.053 -10.923 5.107 1.00 70.32 H new ATOM 0 HE3 LYS A 19 -14.053 -12.282 4.632 1.00 70.32 H new ATOM 0 HZ1 LYS A 19 -14.761 -12.469 6.908 1.00 42.40 H new ATOM 0 HZ2 LYS A 19 -13.073 -12.297 6.835 1.00 42.40 H new ATOM 0 HZ3 LYS A 19 -14.042 -10.980 7.296 1.00 42.40 H new ATOM 282 N PHE A 20 -9.793 -5.714 4.893 1.00 44.04 N ATOM 283 CA PHE A 20 -8.432 -5.264 4.625 1.00 64.11 C ATOM 284 C PHE A 20 -7.722 -4.962 5.950 1.00 71.22 C ATOM 285 O PHE A 20 -6.623 -5.469 6.156 1.00 5.03 O ATOM 286 CB PHE A 20 -8.398 -4.107 3.622 1.00 44.22 C ATOM 287 CG PHE A 20 -7.002 -3.587 3.352 1.00 54.24 C ATOM 288 CD1 PHE A 20 -6.454 -2.629 4.217 1.00 30.42 C ATOM 289 CD2 PHE A 20 -6.236 -4.066 2.275 1.00 1.34 C ATOM 290 CE1 PHE A 20 -5.152 -2.155 4.028 1.00 54.03 C ATOM 291 CE2 PHE A 20 -4.939 -3.567 2.061 1.00 45.00 C ATOM 292 CZ PHE A 20 -4.396 -2.613 2.938 1.00 43.34 C ATOM 0 H PHE A 20 -10.516 -5.203 4.386 1.00 44.04 H new ATOM 0 HA PHE A 20 -7.875 -6.064 4.137 1.00 64.11 H new ATOM 0 HB2 PHE A 20 -8.843 -4.436 2.683 1.00 44.22 H new ATOM 0 HB3 PHE A 20 -9.015 -3.291 3.998 1.00 44.22 H new ATOM 0 HD1 PHE A 20 -7.045 -2.253 5.039 1.00 30.42 H new ATOM 0 HD2 PHE A 20 -6.643 -4.816 1.613 1.00 1.34 H new ATOM 0 HE1 PHE A 20 -4.730 -1.439 4.718 1.00 54.03 H new ATOM 0 HE2 PHE A 20 -4.359 -3.918 1.220 1.00 45.00 H new ATOM 0 HZ PHE A 20 -3.399 -2.233 2.774 1.00 43.34 H new ATOM 302 N THR A 21 -8.365 -4.249 6.874 1.00 11.02 N ATOM 303 CA THR A 21 -7.830 -3.947 8.197 1.00 25.22 C ATOM 304 C THR A 21 -8.287 -4.954 9.271 1.00 10.43 C ATOM 305 O THR A 21 -8.315 -4.591 10.446 1.00 32.31 O ATOM 306 CB THR A 21 -8.202 -2.499 8.566 1.00 24.22 C ATOM 307 OG1 THR A 21 -9.603 -2.313 8.559 1.00 22.53 O ATOM 308 CG2 THR A 21 -7.606 -1.481 7.590 1.00 44.14 C ATOM 0 H THR A 21 -9.294 -3.857 6.718 1.00 11.02 H new ATOM 0 HA THR A 21 -6.745 -4.043 8.162 1.00 25.22 H new ATOM 0 HB THR A 21 -7.794 -2.336 9.564 1.00 24.22 H new ATOM 0 HG1 THR A 21 -10.047 -3.175 8.419 1.00 22.53 H new ATOM 0 HG21 THR A 21 -7.896 -0.475 7.892 1.00 44.14 H new ATOM 0 HG22 THR A 21 -6.519 -1.563 7.597 1.00 44.14 H new ATOM 0 HG23 THR A 21 -7.978 -1.680 6.585 1.00 44.14 H new ATOM 316 N SER A 22 -8.723 -6.174 8.923 1.00 4.35 N ATOM 317 CA SER A 22 -9.221 -7.128 9.920 1.00 45.02 C ATOM 318 C SER A 22 -8.730 -8.566 9.694 1.00 62.52 C ATOM 319 O SER A 22 -9.114 -9.465 10.456 1.00 74.31 O ATOM 320 CB SER A 22 -10.753 -7.025 9.959 1.00 54.02 C ATOM 321 OG SER A 22 -11.274 -7.708 11.080 1.00 21.11 O ATOM 0 H SER A 22 -8.740 -6.520 7.964 1.00 4.35 H new ATOM 0 HA SER A 22 -8.810 -6.862 10.894 1.00 45.02 H new ATOM 0 HB2 SER A 22 -11.051 -5.977 9.996 1.00 54.02 H new ATOM 0 HB3 SER A 22 -11.173 -7.444 9.045 1.00 54.02 H new ATOM 0 HG SER A 22 -10.704 -8.477 11.288 1.00 21.11 H new ATOM 327 N SER A 23 -7.958 -8.847 8.640 1.00 24.22 N ATOM 328 CA SER A 23 -7.709 -10.218 8.205 1.00 32.14 C ATOM 329 C SER A 23 -6.376 -10.314 7.446 1.00 70.24 C ATOM 330 O SER A 23 -6.332 -10.028 6.239 1.00 32.13 O ATOM 331 CB SER A 23 -8.891 -10.694 7.333 1.00 50.31 C ATOM 332 OG SER A 23 -10.172 -10.423 7.883 1.00 74.31 O ATOM 0 H SER A 23 -7.494 -8.138 8.072 1.00 24.22 H new ATOM 0 HA SER A 23 -7.630 -10.869 9.076 1.00 32.14 H new ATOM 0 HB2 SER A 23 -8.821 -10.217 6.355 1.00 50.31 H new ATOM 0 HB3 SER A 23 -8.798 -11.768 7.171 1.00 50.31 H new ATOM 0 HG SER A 23 -10.866 -10.752 7.274 1.00 74.31 H new ATOM 338 N ALA A 24 -5.307 -10.748 8.131 1.00 53.22 N ATOM 339 CA ALA A 24 -3.977 -11.004 7.571 1.00 1.13 C ATOM 340 C ALA A 24 -4.061 -11.786 6.263 1.00 3.34 C ATOM 341 O ALA A 24 -3.664 -11.285 5.208 1.00 53.32 O ATOM 342 CB ALA A 24 -3.138 -11.784 8.591 1.00 61.54 C ATOM 0 H ALA A 24 -5.351 -10.937 9.132 1.00 53.22 H new ATOM 0 HA ALA A 24 -3.506 -10.045 7.356 1.00 1.13 H new ATOM 0 HB1 ALA A 24 -2.148 -11.976 8.177 1.00 61.54 H new ATOM 0 HB2 ALA A 24 -3.042 -11.199 9.506 1.00 61.54 H new ATOM 0 HB3 ALA A 24 -3.627 -12.732 8.816 1.00 61.54 H new ATOM 348 N ALA A 25 -4.575 -13.017 6.314 1.00 44.22 N ATOM 349 CA ALA A 25 -4.560 -13.909 5.163 1.00 53.04 C ATOM 350 C ALA A 25 -5.489 -13.437 4.032 1.00 64.52 C ATOM 351 O ALA A 25 -5.376 -13.934 2.913 1.00 53.04 O ATOM 352 CB ALA A 25 -4.885 -15.343 5.594 1.00 73.22 C ATOM 0 H ALA A 25 -5.008 -13.416 7.147 1.00 44.22 H new ATOM 0 HA ALA A 25 -3.551 -13.889 4.752 1.00 53.04 H new ATOM 0 HB1 ALA A 25 -4.870 -15.997 4.722 1.00 73.22 H new ATOM 0 HB2 ALA A 25 -4.143 -15.683 6.316 1.00 73.22 H new ATOM 0 HB3 ALA A 25 -5.874 -15.370 6.051 1.00 73.22 H new ATOM 358 N PHE A 26 -6.386 -12.476 4.269 1.00 14.22 N ATOM 359 CA PHE A 26 -7.334 -12.019 3.250 1.00 43.05 C ATOM 360 C PHE A 26 -6.740 -10.881 2.396 1.00 11.43 C ATOM 361 O PHE A 26 -7.200 -10.657 1.280 1.00 74.11 O ATOM 362 CB PHE A 26 -8.679 -11.652 3.907 1.00 43.44 C ATOM 363 CG PHE A 26 -9.938 -12.050 3.150 1.00 5.41 C ATOM 364 CD1 PHE A 26 -10.259 -11.470 1.905 1.00 33.45 C ATOM 365 CD2 PHE A 26 -10.828 -12.981 3.723 1.00 4.31 C ATOM 366 CE1 PHE A 26 -11.447 -11.826 1.242 1.00 42.21 C ATOM 367 CE2 PHE A 26 -12.022 -13.323 3.067 1.00 73.11 C ATOM 368 CZ PHE A 26 -12.335 -12.743 1.827 1.00 64.12 C ATOM 0 H PHE A 26 -6.475 -11.996 5.165 1.00 14.22 H new ATOM 0 HA PHE A 26 -7.530 -12.834 2.553 1.00 43.05 H new ATOM 0 HB2 PHE A 26 -8.714 -12.115 4.893 1.00 43.44 H new ATOM 0 HB3 PHE A 26 -8.700 -10.573 4.060 1.00 43.44 H new ATOM 0 HD1 PHE A 26 -9.590 -10.749 1.459 1.00 33.45 H new ATOM 0 HD2 PHE A 26 -10.590 -13.435 4.674 1.00 4.31 H new ATOM 0 HE1 PHE A 26 -11.677 -11.393 0.280 1.00 42.21 H new ATOM 0 HE2 PHE A 26 -12.700 -14.033 3.517 1.00 73.11 H new ATOM 0 HZ PHE A 26 -13.256 -13.001 1.325 1.00 64.12 H new ATOM 378 N GLN A 27 -5.707 -10.162 2.858 1.00 2.15 N ATOM 379 CA GLN A 27 -5.094 -9.080 2.083 1.00 31.31 C ATOM 380 C GLN A 27 -4.462 -9.603 0.781 1.00 54.20 C ATOM 381 O GLN A 27 -4.617 -8.974 -0.262 1.00 21.53 O ATOM 382 CB GLN A 27 -4.073 -8.346 2.962 1.00 41.34 C ATOM 383 CG GLN A 27 -4.462 -6.924 3.371 1.00 11.05 C ATOM 384 CD GLN A 27 -3.444 -6.375 4.373 1.00 32.42 C ATOM 385 OE1 GLN A 27 -2.246 -6.386 4.106 1.00 11.35 O ATOM 386 NE2 GLN A 27 -3.891 -5.964 5.542 1.00 25.21 N ATOM 0 H GLN A 27 -5.278 -10.314 3.771 1.00 2.15 H new ATOM 0 HA GLN A 27 -5.868 -8.374 1.782 1.00 31.31 H new ATOM 0 HB2 GLN A 27 -3.908 -8.933 3.865 1.00 41.34 H new ATOM 0 HB3 GLN A 27 -3.123 -8.306 2.430 1.00 41.34 H new ATOM 0 HG2 GLN A 27 -4.503 -6.281 2.492 1.00 11.05 H new ATOM 0 HG3 GLN A 27 -5.458 -6.923 3.813 1.00 11.05 H new ATOM 0 HE21 GLN A 27 -4.893 -5.966 5.735 1.00 25.21 H new ATOM 0 HE22 GLN A 27 -3.235 -5.643 6.255 1.00 25.21 H new ATOM 395 N TYR A 28 -3.806 -10.768 0.814 1.00 14.03 N ATOM 396 CA TYR A 28 -3.179 -11.399 -0.353 1.00 70.53 C ATOM 397 C TYR A 28 -4.157 -11.591 -1.523 1.00 55.34 C ATOM 398 O TYR A 28 -3.809 -11.339 -2.674 1.00 14.10 O ATOM 399 CB TYR A 28 -2.585 -12.746 0.072 1.00 61.12 C ATOM 400 CG TYR A 28 -1.596 -12.656 1.217 1.00 62.43 C ATOM 401 CD1 TYR A 28 -0.292 -12.187 0.975 1.00 5.03 C ATOM 402 CD2 TYR A 28 -1.984 -13.019 2.522 1.00 11.34 C ATOM 403 CE1 TYR A 28 0.636 -12.109 2.030 1.00 44.44 C ATOM 404 CE2 TYR A 28 -1.059 -12.929 3.584 1.00 61.13 C ATOM 405 CZ TYR A 28 0.255 -12.467 3.342 1.00 22.34 C ATOM 406 OH TYR A 28 1.141 -12.368 4.372 1.00 5.40 O ATOM 0 H TYR A 28 -3.694 -11.310 1.671 1.00 14.03 H new ATOM 0 HA TYR A 28 -2.395 -10.733 -0.714 1.00 70.53 H new ATOM 0 HB2 TYR A 28 -3.397 -13.414 0.360 1.00 61.12 H new ATOM 0 HB3 TYR A 28 -2.089 -13.199 -0.787 1.00 61.12 H new ATOM 0 HD1 TYR A 28 -0.003 -11.887 -0.021 1.00 5.03 H new ATOM 0 HD2 TYR A 28 -2.989 -13.366 2.710 1.00 11.34 H new ATOM 0 HE1 TYR A 28 1.644 -11.774 1.836 1.00 44.44 H new ATOM 0 HE2 TYR A 28 -1.355 -13.213 4.583 1.00 61.13 H new ATOM 0 HH TYR A 28 0.709 -12.655 5.204 1.00 5.40 H new ATOM 416 N THR A 29 -5.390 -12.023 -1.250 1.00 12.41 N ATOM 417 CA THR A 29 -6.369 -12.435 -2.256 1.00 73.35 C ATOM 418 C THR A 29 -7.197 -11.236 -2.770 1.00 1.04 C ATOM 419 O THR A 29 -8.396 -11.346 -3.033 1.00 15.02 O ATOM 420 CB THR A 29 -7.152 -13.643 -1.686 1.00 71.55 C ATOM 421 OG1 THR A 29 -7.888 -14.332 -2.677 1.00 74.55 O ATOM 422 CG2 THR A 29 -8.020 -13.331 -0.465 1.00 53.23 C ATOM 0 H THR A 29 -5.744 -12.098 -0.296 1.00 12.41 H new ATOM 0 HA THR A 29 -5.897 -12.787 -3.173 1.00 73.35 H new ATOM 0 HB THR A 29 -6.370 -14.310 -1.322 1.00 71.55 H new ATOM 0 HG1 THR A 29 -8.352 -13.685 -3.249 1.00 74.55 H new ATOM 0 HG21 THR A 29 -8.528 -14.238 -0.139 1.00 53.23 H new ATOM 0 HG22 THR A 29 -7.391 -12.957 0.343 1.00 53.23 H new ATOM 0 HG23 THR A 29 -8.760 -12.575 -0.728 1.00 53.23 H new ATOM 430 N ARG A 30 -6.589 -10.047 -2.869 1.00 34.42 N ATOM 431 CA ARG A 30 -7.219 -8.855 -3.446 1.00 42.11 C ATOM 432 C ARG A 30 -6.163 -7.937 -4.066 1.00 23.55 C ATOM 433 O ARG A 30 -6.207 -6.727 -3.858 1.00 13.34 O ATOM 434 CB ARG A 30 -8.081 -8.127 -2.393 1.00 54.32 C ATOM 435 CG ARG A 30 -7.287 -7.726 -1.140 1.00 61.54 C ATOM 436 CD ARG A 30 -8.010 -6.681 -0.288 1.00 3.43 C ATOM 437 NE ARG A 30 -8.398 -7.238 1.019 1.00 51.00 N ATOM 438 CZ ARG A 30 -9.631 -7.542 1.428 1.00 32.11 C ATOM 439 NH1 ARG A 30 -10.694 -7.294 0.672 1.00 53.34 N ATOM 440 NH2 ARG A 30 -9.784 -8.118 2.609 1.00 30.45 N ATOM 0 H ARG A 30 -5.635 -9.885 -2.547 1.00 34.42 H new ATOM 0 HA ARG A 30 -7.890 -9.164 -4.248 1.00 42.11 H new ATOM 0 HB2 ARG A 30 -8.516 -7.234 -2.842 1.00 54.32 H new ATOM 0 HB3 ARG A 30 -8.909 -8.772 -2.100 1.00 54.32 H new ATOM 0 HG2 ARG A 30 -7.099 -8.613 -0.536 1.00 61.54 H new ATOM 0 HG3 ARG A 30 -6.316 -7.333 -1.441 1.00 61.54 H new ATOM 0 HD2 ARG A 30 -7.363 -5.817 -0.141 1.00 3.43 H new ATOM 0 HD3 ARG A 30 -8.897 -6.329 -0.814 1.00 3.43 H new ATOM 0 HE ARG A 30 -7.643 -7.410 1.683 1.00 51.00 H new ATOM 0 HH11 ARG A 30 -10.578 -6.861 -0.244 1.00 53.34 H new ATOM 0 HH12 ARG A 30 -11.626 -7.536 1.008 1.00 53.34 H new ATOM 0 HH21 ARG A 30 -8.968 -8.321 3.187 1.00 30.45 H new ATOM 0 HH22 ARG A 30 -10.718 -8.359 2.942 1.00 30.45 H new ATOM 454 N VAL A 31 -5.192 -8.477 -4.797 1.00 71.33 N ATOM 455 CA VAL A 31 -4.094 -7.696 -5.371 1.00 4.02 C ATOM 456 C VAL A 31 -3.995 -8.055 -6.852 1.00 52.54 C ATOM 457 O VAL A 31 -4.066 -9.232 -7.211 1.00 63.44 O ATOM 458 CB VAL A 31 -2.783 -7.975 -4.599 1.00 43.14 C ATOM 459 CG1 VAL A 31 -1.669 -6.992 -4.988 1.00 73.34 C ATOM 460 CG2 VAL A 31 -2.957 -7.892 -3.071 1.00 40.41 C ATOM 0 H VAL A 31 -5.142 -9.473 -5.010 1.00 71.33 H new ATOM 0 HA VAL A 31 -4.278 -6.625 -5.282 1.00 4.02 H new ATOM 0 HB VAL A 31 -2.509 -8.993 -4.878 1.00 43.14 H new ATOM 0 HG11 VAL A 31 -0.766 -7.223 -4.423 1.00 73.34 H new ATOM 0 HG12 VAL A 31 -1.462 -7.080 -6.055 1.00 73.34 H new ATOM 0 HG13 VAL A 31 -1.987 -5.974 -4.763 1.00 73.34 H new ATOM 0 HG21 VAL A 31 -2.003 -8.097 -2.585 1.00 40.41 H new ATOM 0 HG22 VAL A 31 -3.297 -6.893 -2.797 1.00 40.41 H new ATOM 0 HG23 VAL A 31 -3.694 -8.627 -2.748 1.00 40.41 H new ATOM 470 N LYS A 32 -3.850 -7.054 -7.720 1.00 63.33 N ATOM 471 CA LYS A 32 -3.590 -7.261 -9.146 1.00 33.25 C ATOM 472 C LYS A 32 -2.159 -7.755 -9.360 1.00 52.43 C ATOM 473 O LYS A 32 -1.352 -7.767 -8.425 1.00 61.11 O ATOM 474 CB LYS A 32 -3.815 -5.931 -9.888 1.00 41.30 C ATOM 475 CG LYS A 32 -5.297 -5.666 -10.191 1.00 14.25 C ATOM 476 CD LYS A 32 -5.732 -6.126 -11.589 1.00 73.20 C ATOM 477 CE LYS A 32 -6.803 -5.164 -12.104 1.00 53.24 C ATOM 478 NZ LYS A 32 -7.266 -5.464 -13.471 1.00 14.41 N ATOM 0 H LYS A 32 -3.910 -6.071 -7.453 1.00 63.33 H new ATOM 0 HA LYS A 32 -4.270 -8.018 -9.537 1.00 33.25 H new ATOM 0 HB2 LYS A 32 -3.419 -5.113 -9.287 1.00 41.30 H new ATOM 0 HB3 LYS A 32 -3.253 -5.941 -10.822 1.00 41.30 H new ATOM 0 HG2 LYS A 32 -5.908 -6.174 -9.445 1.00 14.25 H new ATOM 0 HG3 LYS A 32 -5.494 -4.599 -10.092 1.00 14.25 H new ATOM 0 HD2 LYS A 32 -4.878 -6.140 -12.266 1.00 73.20 H new ATOM 0 HD3 LYS A 32 -6.123 -7.142 -11.549 1.00 73.20 H new ATOM 0 HE2 LYS A 32 -7.657 -5.190 -11.427 1.00 53.24 H new ATOM 0 HE3 LYS A 32 -6.408 -4.148 -12.079 1.00 53.24 H new ATOM 0 HZ1 LYS A 32 -8.271 -5.213 -13.560 1.00 14.41 H new ATOM 0 HZ2 LYS A 32 -6.709 -4.913 -14.155 1.00 14.41 H new ATOM 0 HZ3 LYS A 32 -7.145 -6.479 -13.664 1.00 14.41 H new ATOM 492 N PHE A 33 -1.813 -8.105 -10.597 1.00 33.32 N ATOM 493 CA PHE A 33 -0.436 -8.040 -11.057 1.00 31.42 C ATOM 494 C PHE A 33 -0.393 -7.755 -12.566 1.00 42.34 C ATOM 495 O PHE A 33 -1.363 -8.094 -13.250 1.00 44.43 O ATOM 496 CB PHE A 33 0.315 -9.328 -10.668 1.00 71.24 C ATOM 497 CG PHE A 33 1.739 -9.057 -10.225 1.00 33.31 C ATOM 498 CD1 PHE A 33 1.994 -8.092 -9.229 1.00 20.00 C ATOM 499 CD2 PHE A 33 2.816 -9.707 -10.851 1.00 62.42 C ATOM 500 CE1 PHE A 33 3.312 -7.733 -8.912 1.00 13.20 C ATOM 501 CE2 PHE A 33 4.136 -9.368 -10.507 1.00 35.23 C ATOM 502 CZ PHE A 33 4.385 -8.374 -9.549 1.00 52.53 C ATOM 0 H PHE A 33 -2.474 -8.438 -11.299 1.00 33.32 H new ATOM 0 HA PHE A 33 0.078 -7.214 -10.566 1.00 31.42 H new ATOM 0 HB2 PHE A 33 -0.223 -9.830 -9.864 1.00 71.24 H new ATOM 0 HB3 PHE A 33 0.326 -10.010 -11.518 1.00 71.24 H new ATOM 0 HD1 PHE A 33 1.170 -7.627 -8.708 1.00 20.00 H new ATOM 0 HD2 PHE A 33 2.630 -10.466 -11.596 1.00 62.42 H new ATOM 0 HE1 PHE A 33 3.501 -6.964 -8.178 1.00 13.20 H new ATOM 0 HE2 PHE A 33 4.962 -9.875 -10.983 1.00 35.23 H new ATOM 0 HZ PHE A 33 5.401 -8.103 -9.302 1.00 52.53 H new ATOM 512 N PRO A 34 0.686 -7.166 -13.126 1.00 12.23 N ATOM 513 CA PRO A 34 1.750 -6.426 -12.436 1.00 40.51 C ATOM 514 C PRO A 34 1.200 -5.262 -11.595 1.00 53.13 C ATOM 515 O PRO A 34 0.002 -4.951 -11.656 1.00 24.01 O ATOM 516 CB PRO A 34 2.687 -5.929 -13.545 1.00 62.03 C ATOM 517 CG PRO A 34 1.803 -5.879 -14.786 1.00 61.12 C ATOM 518 CD PRO A 34 0.870 -7.062 -14.567 1.00 42.42 C ATOM 0 HA PRO A 34 2.271 -7.064 -11.722 1.00 40.51 H new ATOM 0 HB2 PRO A 34 3.098 -4.947 -13.309 1.00 62.03 H new ATOM 0 HB3 PRO A 34 3.532 -6.603 -13.685 1.00 62.03 H new ATOM 0 HG2 PRO A 34 1.257 -4.938 -14.859 1.00 61.12 H new ATOM 0 HG3 PRO A 34 2.383 -5.983 -15.703 1.00 61.12 H new ATOM 0 HD2 PRO A 34 -0.083 -6.906 -15.072 1.00 42.42 H new ATOM 0 HD3 PRO A 34 1.299 -7.978 -14.973 1.00 42.42 H new ATOM 526 N LEU A 35 2.047 -4.657 -10.760 1.00 2.32 N ATOM 527 CA LEU A 35 1.704 -3.422 -10.060 1.00 51.30 C ATOM 528 C LEU A 35 2.470 -2.261 -10.669 1.00 0.11 C ATOM 529 O LEU A 35 3.553 -2.410 -11.245 1.00 51.11 O ATOM 530 CB LEU A 35 2.062 -3.472 -8.574 1.00 21.41 C ATOM 531 CG LEU A 35 1.333 -4.520 -7.728 1.00 71.40 C ATOM 532 CD1 LEU A 35 1.904 -4.408 -6.331 1.00 44.11 C ATOM 533 CD2 LEU A 35 -0.172 -4.372 -7.600 1.00 15.32 C ATOM 0 H LEU A 35 2.982 -5.007 -10.552 1.00 2.32 H new ATOM 0 HA LEU A 35 0.626 -3.296 -10.161 1.00 51.30 H new ATOM 0 HB2 LEU A 35 3.134 -3.650 -8.488 1.00 21.41 H new ATOM 0 HB3 LEU A 35 1.866 -2.490 -8.143 1.00 21.41 H new ATOM 0 HG LEU A 35 1.487 -5.473 -8.235 1.00 71.40 H new ATOM 0 HD11 LEU A 35 1.419 -5.136 -5.680 1.00 44.11 H new ATOM 0 HD12 LEU A 35 2.976 -4.604 -6.359 1.00 44.11 H new ATOM 0 HD13 LEU A 35 1.729 -3.403 -5.946 1.00 44.11 H new ATOM 0 HD21 LEU A 35 -0.565 -5.175 -6.977 1.00 15.32 H new ATOM 0 HD22 LEU A 35 -0.405 -3.411 -7.142 1.00 15.32 H new ATOM 0 HD23 LEU A 35 -0.628 -4.423 -8.589 1.00 15.32 H new ATOM 545 N LYS A 36 1.936 -1.068 -10.422 1.00 15.42 N ATOM 546 CA LYS A 36 2.443 0.164 -11.044 1.00 61.14 C ATOM 547 C LYS A 36 3.796 0.539 -10.473 1.00 2.25 C ATOM 548 O LYS A 36 4.622 1.150 -11.158 1.00 31.43 O ATOM 549 CB LYS A 36 1.509 1.350 -10.780 1.00 60.04 C ATOM 550 CG LYS A 36 0.023 1.059 -10.973 1.00 72.40 C ATOM 551 CD LYS A 36 -0.372 0.615 -12.385 1.00 41.42 C ATOM 552 CE LYS A 36 -1.880 0.353 -12.461 1.00 2.53 C ATOM 553 NZ LYS A 36 -2.310 0.076 -13.847 1.00 4.34 N ATOM 0 H LYS A 36 1.147 -0.922 -9.792 1.00 15.42 H new ATOM 0 HA LYS A 36 2.511 -0.038 -12.113 1.00 61.14 H new ATOM 0 HB2 LYS A 36 1.666 1.696 -9.758 1.00 60.04 H new ATOM 0 HB3 LYS A 36 1.792 2.169 -11.441 1.00 60.04 H new ATOM 0 HG2 LYS A 36 -0.274 0.283 -10.268 1.00 72.40 H new ATOM 0 HG3 LYS A 36 -0.543 1.955 -10.718 1.00 72.40 H new ATOM 0 HD2 LYS A 36 -0.093 1.384 -13.106 1.00 41.42 H new ATOM 0 HD3 LYS A 36 0.175 -0.289 -12.655 1.00 41.42 H new ATOM 0 HE2 LYS A 36 -2.136 -0.493 -11.823 1.00 2.53 H new ATOM 0 HE3 LYS A 36 -2.421 1.218 -12.077 1.00 2.53 H new ATOM 0 HZ1 LYS A 36 -3.335 -0.097 -13.864 1.00 4.34 H new ATOM 0 HZ2 LYS A 36 -2.087 0.894 -14.450 1.00 4.34 H new ATOM 0 HZ3 LYS A 36 -1.811 -0.764 -14.204 1.00 4.34 H new ATOM 567 N THR A 37 3.966 0.216 -9.198 1.00 73.30 N ATOM 568 CA THR A 37 5.052 0.655 -8.335 1.00 24.44 C ATOM 569 C THR A 37 5.984 -0.532 -8.004 1.00 24.02 C ATOM 570 O THR A 37 5.754 -1.239 -7.017 1.00 3.21 O ATOM 571 CB THR A 37 4.408 1.326 -7.103 1.00 2.13 C ATOM 572 OG1 THR A 37 3.263 0.618 -6.643 1.00 75.22 O ATOM 573 CG2 THR A 37 3.930 2.738 -7.452 1.00 55.34 C ATOM 0 H THR A 37 3.311 -0.395 -8.711 1.00 73.30 H new ATOM 0 HA THR A 37 5.698 1.388 -8.818 1.00 24.44 H new ATOM 0 HB THR A 37 5.177 1.337 -6.331 1.00 2.13 H new ATOM 0 HG1 THR A 37 2.888 1.075 -5.862 1.00 75.22 H new ATOM 0 HG21 THR A 37 3.478 3.197 -6.573 1.00 55.34 H new ATOM 0 HG22 THR A 37 4.778 3.339 -7.780 1.00 55.34 H new ATOM 0 HG23 THR A 37 3.192 2.685 -8.253 1.00 55.34 H new ATOM 581 N PRO A 38 6.978 -0.861 -8.855 1.00 35.32 N ATOM 582 CA PRO A 38 7.933 -1.941 -8.598 1.00 0.20 C ATOM 583 C PRO A 38 9.054 -1.491 -7.623 1.00 74.41 C ATOM 584 O PRO A 38 9.087 -0.324 -7.231 1.00 33.24 O ATOM 585 CB PRO A 38 8.487 -2.301 -9.977 1.00 51.52 C ATOM 586 CG PRO A 38 8.475 -0.964 -10.716 1.00 3.12 C ATOM 587 CD PRO A 38 7.217 -0.287 -10.171 1.00 62.34 C ATOM 0 HA PRO A 38 7.465 -2.797 -8.112 1.00 0.20 H new ATOM 0 HB2 PRO A 38 9.493 -2.716 -9.911 1.00 51.52 H new ATOM 0 HB3 PRO A 38 7.867 -3.044 -10.479 1.00 51.52 H new ATOM 0 HG2 PRO A 38 9.371 -0.379 -10.509 1.00 3.12 H new ATOM 0 HG3 PRO A 38 8.426 -1.099 -11.796 1.00 3.12 H new ATOM 0 HD2 PRO A 38 7.355 0.792 -10.105 1.00 62.34 H new ATOM 0 HD3 PRO A 38 6.366 -0.460 -10.830 1.00 62.34 H new ATOM 595 N ILE A 39 9.955 -2.418 -7.239 1.00 12.34 N ATOM 596 CA ILE A 39 10.924 -2.224 -6.147 1.00 72.41 C ATOM 597 C ILE A 39 11.823 -1.014 -6.436 1.00 51.35 C ATOM 598 O ILE A 39 11.938 -0.124 -5.609 1.00 71.11 O ATOM 599 CB ILE A 39 11.792 -3.493 -5.882 1.00 1.43 C ATOM 600 CG1 ILE A 39 11.061 -4.846 -5.711 1.00 24.42 C ATOM 601 CG2 ILE A 39 12.677 -3.292 -4.638 1.00 75.54 C ATOM 602 CD1 ILE A 39 10.094 -4.931 -4.534 1.00 12.03 C ATOM 0 H ILE A 39 10.029 -3.332 -7.685 1.00 12.34 H new ATOM 0 HA ILE A 39 10.347 -2.037 -5.241 1.00 72.41 H new ATOM 0 HB ILE A 39 12.356 -3.579 -6.811 1.00 1.43 H new ATOM 0 HG12 ILE A 39 10.509 -5.058 -6.627 1.00 24.42 H new ATOM 0 HG13 ILE A 39 11.809 -5.631 -5.600 1.00 24.42 H new ATOM 0 HG21 ILE A 39 13.275 -4.187 -4.469 1.00 75.54 H new ATOM 0 HG22 ILE A 39 13.337 -2.439 -4.795 1.00 75.54 H new ATOM 0 HG23 ILE A 39 12.046 -3.107 -3.769 1.00 75.54 H new ATOM 0 HD11 ILE A 39 9.638 -5.921 -4.509 1.00 12.03 H new ATOM 0 HD12 ILE A 39 10.636 -4.757 -3.604 1.00 12.03 H new ATOM 0 HD13 ILE A 39 9.316 -4.176 -4.647 1.00 12.03 H new ATOM 614 N THR A 40 12.486 -1.022 -7.593 1.00 15.12 N ATOM 615 CA THR A 40 13.369 0.039 -8.059 1.00 23.41 C ATOM 616 C THR A 40 14.413 0.462 -7.011 1.00 23.30 C ATOM 617 O THR A 40 14.327 1.525 -6.403 1.00 1.20 O ATOM 618 CB THR A 40 12.505 1.187 -8.595 1.00 63.21 C ATOM 619 OG1 THR A 40 11.459 0.654 -9.387 1.00 20.23 O ATOM 620 CG2 THR A 40 13.337 2.104 -9.481 1.00 32.01 C ATOM 0 H THR A 40 12.418 -1.797 -8.253 1.00 15.12 H new ATOM 0 HA THR A 40 13.986 -0.332 -8.878 1.00 23.41 H new ATOM 0 HB THR A 40 12.108 1.746 -7.748 1.00 63.21 H new ATOM 0 HG1 THR A 40 10.725 0.362 -8.807 1.00 20.23 H new ATOM 0 HG21 THR A 40 12.711 2.915 -9.855 1.00 32.01 H new ATOM 0 HG22 THR A 40 14.162 2.520 -8.902 1.00 32.01 H new ATOM 0 HG23 THR A 40 13.734 1.535 -10.322 1.00 32.01 H new ATOM 628 N LEU A 41 15.439 -0.371 -6.835 1.00 15.34 N ATOM 629 CA LEU A 41 16.582 -0.084 -5.976 1.00 42.32 C ATOM 630 C LEU A 41 17.636 0.563 -6.850 1.00 31.12 C ATOM 631 O LEU A 41 17.995 0.026 -7.904 1.00 21.41 O ATOM 632 CB LEU A 41 17.166 -1.368 -5.380 1.00 2.30 C ATOM 633 CG LEU A 41 16.128 -2.200 -4.622 1.00 1.32 C ATOM 634 CD1 LEU A 41 16.719 -3.534 -4.185 1.00 4.32 C ATOM 635 CD2 LEU A 41 15.558 -1.479 -3.395 1.00 55.25 C ATOM 0 H LEU A 41 15.498 -1.280 -7.295 1.00 15.34 H new ATOM 0 HA LEU A 41 16.271 0.560 -5.153 1.00 42.32 H new ATOM 0 HB2 LEU A 41 17.594 -1.972 -6.180 1.00 2.30 H new ATOM 0 HB3 LEU A 41 17.981 -1.110 -4.704 1.00 2.30 H new ATOM 0 HG LEU A 41 15.308 -2.363 -5.321 1.00 1.32 H new ATOM 0 HD11 LEU A 41 15.964 -4.108 -3.648 1.00 4.32 H new ATOM 0 HD12 LEU A 41 17.044 -4.093 -5.063 1.00 4.32 H new ATOM 0 HD13 LEU A 41 17.573 -3.357 -3.531 1.00 4.32 H new ATOM 0 HD21 LEU A 41 14.828 -2.121 -2.902 1.00 55.25 H new ATOM 0 HD22 LEU A 41 16.366 -1.248 -2.701 1.00 55.25 H new ATOM 0 HD23 LEU A 41 15.074 -0.554 -3.709 1.00 55.25 H new ATOM 647 N LEU A 42 18.159 1.680 -6.380 1.00 74.51 N ATOM 648 CA LEU A 42 19.304 2.339 -6.943 1.00 22.13 C ATOM 649 C LEU A 42 20.496 1.399 -6.780 1.00 0.40 C ATOM 650 O LEU A 42 20.836 0.974 -5.671 1.00 42.15 O ATOM 651 CB LEU A 42 19.487 3.682 -6.224 1.00 3.22 C ATOM 652 CG LEU A 42 20.233 4.744 -7.040 1.00 73.15 C ATOM 653 CD1 LEU A 42 19.484 5.120 -8.325 1.00 11.32 C ATOM 654 CD2 LEU A 42 20.356 5.994 -6.161 1.00 74.31 C ATOM 0 H LEU A 42 17.779 2.164 -5.567 1.00 74.51 H new ATOM 0 HA LEU A 42 19.191 2.558 -8.005 1.00 22.13 H new ATOM 0 HB2 LEU A 42 18.505 4.072 -5.955 1.00 3.22 H new ATOM 0 HB3 LEU A 42 20.028 3.511 -5.293 1.00 3.22 H new ATOM 0 HG LEU A 42 21.205 4.345 -7.331 1.00 73.15 H new ATOM 0 HD11 LEU A 42 20.051 5.875 -8.869 1.00 11.32 H new ATOM 0 HD12 LEU A 42 19.366 4.235 -8.950 1.00 11.32 H new ATOM 0 HD13 LEU A 42 18.502 5.518 -8.070 1.00 11.32 H new ATOM 0 HD21 LEU A 42 20.883 6.774 -6.710 1.00 74.31 H new ATOM 0 HD22 LEU A 42 19.361 6.349 -5.892 1.00 74.31 H new ATOM 0 HD23 LEU A 42 20.911 5.749 -5.256 1.00 74.31 H new ATOM 666 N ALA A 43 21.093 1.048 -7.915 1.00 71.31 N ATOM 667 CA ALA A 43 22.325 0.286 -8.027 1.00 41.53 C ATOM 668 C ALA A 43 23.510 1.080 -7.471 1.00 41.33 C ATOM 669 O ALA A 43 23.359 2.199 -6.974 1.00 1.41 O ATOM 670 CB ALA A 43 22.553 -0.072 -9.505 1.00 1.51 C ATOM 0 H ALA A 43 20.709 1.302 -8.825 1.00 71.31 H new ATOM 0 HA ALA A 43 22.241 -0.628 -7.439 1.00 41.53 H new ATOM 0 HB1 ALA A 43 23.475 -0.645 -9.603 1.00 1.51 H new ATOM 0 HB2 ALA A 43 21.716 -0.668 -9.868 1.00 1.51 H new ATOM 0 HB3 ALA A 43 22.630 0.842 -10.093 1.00 1.51 H new ATOM 676 N ASP A 44 24.704 0.527 -7.661 1.00 63.25 N ATOM 677 CA ASP A 44 25.932 1.039 -7.047 1.00 74.21 C ATOM 678 C ASP A 44 26.230 2.489 -7.415 1.00 14.23 C ATOM 679 O ASP A 44 26.617 3.259 -6.535 1.00 21.12 O ATOM 680 CB ASP A 44 27.152 0.187 -7.401 1.00 12.13 C ATOM 681 CG ASP A 44 27.048 -1.174 -6.741 1.00 3.13 C ATOM 682 OD1 ASP A 44 27.277 -1.243 -5.516 1.00 41.43 O ATOM 683 OD2 ASP A 44 26.636 -2.136 -7.442 1.00 35.30 O ATOM 0 H ASP A 44 24.851 -0.294 -8.248 1.00 63.25 H new ATOM 0 HA ASP A 44 25.746 0.986 -5.974 1.00 74.21 H new ATOM 0 HB2 ASP A 44 27.222 0.071 -8.482 1.00 12.13 H new ATOM 0 HB3 ASP A 44 28.063 0.689 -7.075 1.00 12.13 H new ATOM 688 N ASP A 45 26.026 2.832 -8.692 1.00 34.20 N ATOM 689 CA ASP A 45 26.444 4.081 -9.342 1.00 32.20 C ATOM 690 C ASP A 45 25.685 5.304 -8.826 1.00 71.25 C ATOM 691 O ASP A 45 26.026 6.449 -9.126 1.00 62.13 O ATOM 692 CB ASP A 45 26.282 3.976 -10.852 1.00 52.41 C ATOM 693 CG ASP A 45 27.361 3.115 -11.514 1.00 11.12 C ATOM 694 OD1 ASP A 45 27.284 1.859 -11.423 1.00 61.42 O ATOM 695 OD2 ASP A 45 28.301 3.661 -12.127 1.00 23.14 O ATOM 0 H ASP A 45 25.537 2.211 -9.337 1.00 34.20 H new ATOM 0 HA ASP A 45 27.495 4.223 -9.091 1.00 32.20 H new ATOM 0 HB2 ASP A 45 25.302 3.556 -11.078 1.00 52.41 H new ATOM 0 HB3 ASP A 45 26.308 4.976 -11.284 1.00 52.41 H new ATOM 700 N GLY A 46 24.614 5.077 -8.074 1.00 23.33 N ATOM 701 CA GLY A 46 23.759 6.116 -7.552 1.00 24.51 C ATOM 702 C GLY A 46 22.938 6.820 -8.627 1.00 43.14 C ATOM 703 O GLY A 46 22.597 7.990 -8.435 1.00 15.44 O ATOM 0 H GLY A 46 24.316 4.138 -7.808 1.00 23.33 H new ATOM 0 HA2 GLY A 46 23.083 5.684 -6.814 1.00 24.51 H new ATOM 0 HA3 GLY A 46 24.371 6.853 -7.032 1.00 24.51 H new ATOM 707 N GLU A 47 22.655 6.137 -9.742 1.00 55.22 N ATOM 708 CA GLU A 47 21.877 6.651 -10.859 1.00 51.21 C ATOM 709 C GLU A 47 21.082 5.553 -11.571 1.00 71.34 C ATOM 710 O GLU A 47 19.929 5.766 -11.926 1.00 22.20 O ATOM 711 CB GLU A 47 22.818 7.354 -11.832 1.00 40.52 C ATOM 712 CG GLU A 47 24.093 6.576 -12.176 1.00 20.32 C ATOM 713 CD GLU A 47 24.578 6.895 -13.585 1.00 61.23 C ATOM 714 OE1 GLU A 47 24.119 6.216 -14.530 1.00 64.03 O ATOM 715 OE2 GLU A 47 25.464 7.766 -13.760 1.00 74.05 O ATOM 0 H GLU A 47 22.975 5.180 -9.890 1.00 55.22 H new ATOM 0 HA GLU A 47 21.144 7.358 -10.470 1.00 51.21 H new ATOM 0 HB2 GLU A 47 22.275 7.559 -12.755 1.00 40.52 H new ATOM 0 HB3 GLU A 47 23.101 8.317 -11.408 1.00 40.52 H new ATOM 0 HG2 GLU A 47 24.875 6.820 -11.457 1.00 20.32 H new ATOM 0 HG3 GLU A 47 23.903 5.506 -12.089 1.00 20.32 H new ATOM 722 N THR A 48 21.661 4.373 -11.781 1.00 43.23 N ATOM 723 CA THR A 48 21.010 3.227 -12.382 1.00 61.24 C ATOM 724 C THR A 48 19.968 2.675 -11.412 1.00 55.33 C ATOM 725 O THR A 48 20.318 2.139 -10.360 1.00 60.33 O ATOM 726 CB THR A 48 22.068 2.184 -12.777 1.00 60.43 C ATOM 727 OG1 THR A 48 23.160 2.784 -13.443 1.00 11.30 O ATOM 728 CG2 THR A 48 21.486 1.071 -13.648 1.00 44.34 C ATOM 0 H THR A 48 22.631 4.189 -11.526 1.00 43.23 H new ATOM 0 HA THR A 48 20.487 3.513 -13.294 1.00 61.24 H new ATOM 0 HB THR A 48 22.419 1.739 -11.846 1.00 60.43 H new ATOM 0 HG1 THR A 48 23.817 2.096 -13.680 1.00 11.30 H new ATOM 0 HG21 THR A 48 22.271 0.359 -13.901 1.00 44.34 H new ATOM 0 HG22 THR A 48 20.694 0.559 -13.102 1.00 44.34 H new ATOM 0 HG23 THR A 48 21.077 1.501 -14.563 1.00 44.34 H new ATOM 736 N GLU A 49 18.695 2.840 -11.748 1.00 2.32 N ATOM 737 CA GLU A 49 17.528 2.411 -10.984 1.00 73.03 C ATOM 738 C GLU A 49 17.160 1.005 -11.474 1.00 14.42 C ATOM 739 O GLU A 49 16.768 0.861 -12.635 1.00 51.14 O ATOM 740 CB GLU A 49 16.381 3.387 -11.297 1.00 34.33 C ATOM 741 CG GLU A 49 16.583 4.797 -10.728 1.00 33.20 C ATOM 742 CD GLU A 49 15.716 5.819 -11.466 1.00 13.41 C ATOM 743 OE1 GLU A 49 15.973 6.077 -12.671 1.00 13.11 O ATOM 744 OE2 GLU A 49 14.776 6.375 -10.863 1.00 73.34 O ATOM 0 H GLU A 49 18.432 3.306 -12.616 1.00 2.32 H new ATOM 0 HA GLU A 49 17.719 2.399 -9.911 1.00 73.03 H new ATOM 0 HB2 GLU A 49 16.263 3.457 -12.378 1.00 34.33 H new ATOM 0 HB3 GLU A 49 15.452 2.977 -10.901 1.00 34.33 H new ATOM 0 HG2 GLU A 49 16.334 4.803 -9.667 1.00 33.20 H new ATOM 0 HG3 GLU A 49 17.633 5.079 -10.811 1.00 33.20 H new ATOM 751 N LYS A 50 17.312 -0.050 -10.668 1.00 51.23 N ATOM 752 CA LYS A 50 17.102 -1.432 -11.110 1.00 14.11 C ATOM 753 C LYS A 50 15.843 -2.021 -10.480 1.00 31.43 C ATOM 754 O LYS A 50 15.713 -2.107 -9.254 1.00 51.34 O ATOM 755 CB LYS A 50 18.345 -2.294 -10.846 1.00 62.22 C ATOM 756 CG LYS A 50 19.547 -1.862 -11.717 1.00 42.24 C ATOM 757 CD LYS A 50 20.506 -3.019 -12.053 1.00 11.40 C ATOM 758 CE LYS A 50 21.826 -2.887 -11.294 1.00 22.10 C ATOM 759 NZ LYS A 50 22.713 -4.042 -11.517 1.00 12.44 N ATOM 0 H LYS A 50 17.585 0.030 -9.688 1.00 51.23 H new ATOM 0 HA LYS A 50 16.946 -1.426 -12.189 1.00 14.11 H new ATOM 0 HB2 LYS A 50 18.617 -2.224 -9.793 1.00 62.22 H new ATOM 0 HB3 LYS A 50 18.110 -3.339 -11.046 1.00 62.22 H new ATOM 0 HG2 LYS A 50 19.176 -1.426 -12.645 1.00 42.24 H new ATOM 0 HG3 LYS A 50 20.101 -1.080 -11.197 1.00 42.24 H new ATOM 0 HD2 LYS A 50 20.034 -3.969 -11.803 1.00 11.40 H new ATOM 0 HD3 LYS A 50 20.701 -3.032 -13.125 1.00 11.40 H new ATOM 0 HE2 LYS A 50 22.334 -1.975 -11.607 1.00 22.10 H new ATOM 0 HE3 LYS A 50 21.622 -2.788 -10.228 1.00 22.10 H new ATOM 0 HZ1 LYS A 50 23.596 -3.910 -10.983 1.00 12.44 H new ATOM 0 HZ2 LYS A 50 22.240 -4.910 -11.194 1.00 12.44 H new ATOM 0 HZ3 LYS A 50 22.930 -4.122 -12.531 1.00 12.44 H new ATOM 773 N THR A 51 14.888 -2.401 -11.325 1.00 64.45 N ATOM 774 CA THR A 51 13.640 -3.044 -10.939 1.00 62.11 C ATOM 775 C THR A 51 13.828 -4.548 -10.681 1.00 35.03 C ATOM 776 O THR A 51 14.847 -5.131 -11.052 1.00 42.11 O ATOM 777 CB THR A 51 12.580 -2.740 -12.020 1.00 35.13 C ATOM 778 OG1 THR A 51 13.136 -2.523 -13.311 1.00 2.32 O ATOM 779 CG2 THR A 51 11.811 -1.493 -11.603 1.00 11.32 C ATOM 0 H THR A 51 14.967 -2.264 -12.333 1.00 64.45 H new ATOM 0 HA THR A 51 13.291 -2.639 -9.989 1.00 62.11 H new ATOM 0 HB THR A 51 11.934 -3.614 -12.095 1.00 35.13 H new ATOM 0 HG1 THR A 51 12.417 -2.338 -13.950 1.00 2.32 H new ATOM 0 HG21 THR A 51 11.057 -1.262 -12.355 1.00 11.32 H new ATOM 0 HG22 THR A 51 11.325 -1.669 -10.644 1.00 11.32 H new ATOM 0 HG23 THR A 51 12.501 -0.654 -11.511 1.00 11.32 H new ATOM 787 N PHE A 52 12.849 -5.173 -10.016 1.00 60.42 N ATOM 788 CA PHE A 52 12.840 -6.562 -9.551 1.00 62.41 C ATOM 789 C PHE A 52 11.378 -6.984 -9.365 1.00 11.24 C ATOM 790 O PHE A 52 10.530 -6.095 -9.222 1.00 0.32 O ATOM 791 CB PHE A 52 13.558 -6.641 -8.190 1.00 0.33 C ATOM 792 CG PHE A 52 15.052 -6.427 -8.259 1.00 23.11 C ATOM 793 CD1 PHE A 52 15.863 -7.291 -9.022 1.00 62.43 C ATOM 794 CD2 PHE A 52 15.625 -5.326 -7.600 1.00 61.04 C ATOM 795 CE1 PHE A 52 17.241 -7.037 -9.146 1.00 55.12 C ATOM 796 CE2 PHE A 52 17.000 -5.082 -7.715 1.00 15.10 C ATOM 797 CZ PHE A 52 17.809 -5.934 -8.488 1.00 4.54 C ATOM 0 H PHE A 52 11.985 -4.688 -9.773 1.00 60.42 H new ATOM 0 HA PHE A 52 13.343 -7.211 -10.268 1.00 62.41 H new ATOM 0 HB2 PHE A 52 13.127 -5.895 -7.522 1.00 0.33 H new ATOM 0 HB3 PHE A 52 13.363 -7.617 -7.746 1.00 0.33 H new ATOM 0 HD1 PHE A 52 15.426 -8.149 -9.512 1.00 62.43 H new ATOM 0 HD2 PHE A 52 15.007 -4.669 -7.006 1.00 61.04 H new ATOM 0 HE1 PHE A 52 17.860 -7.688 -9.745 1.00 55.12 H new ATOM 0 HE2 PHE A 52 17.440 -4.236 -7.208 1.00 15.10 H new ATOM 0 HZ PHE A 52 18.868 -5.740 -8.576 1.00 4.54 H new ATOM 807 N PRO A 53 11.058 -8.290 -9.272 1.00 54.21 N ATOM 808 CA PRO A 53 9.683 -8.718 -9.067 1.00 73.04 C ATOM 809 C PRO A 53 9.157 -8.210 -7.733 1.00 34.10 C ATOM 810 O PRO A 53 9.890 -8.178 -6.741 1.00 1.32 O ATOM 811 CB PRO A 53 9.681 -10.250 -9.088 1.00 53.24 C ATOM 812 CG PRO A 53 11.135 -10.628 -8.812 1.00 74.14 C ATOM 813 CD PRO A 53 11.940 -9.447 -9.352 1.00 22.42 C ATOM 0 HA PRO A 53 9.037 -8.316 -9.847 1.00 73.04 H new ATOM 0 HB2 PRO A 53 9.012 -10.658 -8.330 1.00 53.24 H new ATOM 0 HB3 PRO A 53 9.345 -10.635 -10.051 1.00 53.24 H new ATOM 0 HG2 PRO A 53 11.312 -10.777 -7.747 1.00 74.14 H new ATOM 0 HG3 PRO A 53 11.407 -11.557 -9.313 1.00 74.14 H new ATOM 0 HD2 PRO A 53 12.844 -9.290 -8.764 1.00 22.42 H new ATOM 0 HD3 PRO A 53 12.255 -9.627 -10.380 1.00 22.42 H new ATOM 821 N PHE A 54 7.862 -7.917 -7.667 1.00 61.32 N ATOM 822 CA PHE A 54 7.115 -8.013 -6.427 1.00 13.13 C ATOM 823 C PHE A 54 6.529 -9.421 -6.308 1.00 73.44 C ATOM 824 O PHE A 54 6.159 -10.041 -7.310 1.00 13.42 O ATOM 825 CB PHE A 54 6.077 -6.887 -6.355 1.00 44.44 C ATOM 826 CG PHE A 54 5.304 -6.806 -5.071 1.00 3.30 C ATOM 827 CD1 PHE A 54 6.018 -6.449 -3.917 1.00 21.21 C ATOM 828 CD2 PHE A 54 3.904 -6.907 -5.042 1.00 3.12 C ATOM 829 CE1 PHE A 54 5.330 -6.212 -2.716 1.00 73.55 C ATOM 830 CE2 PHE A 54 3.217 -6.617 -3.850 1.00 24.30 C ATOM 831 CZ PHE A 54 3.930 -6.295 -2.680 1.00 52.32 C ATOM 0 H PHE A 54 7.309 -7.609 -8.467 1.00 61.32 H new ATOM 0 HA PHE A 54 7.762 -7.871 -5.561 1.00 13.13 H new ATOM 0 HB2 PHE A 54 6.586 -5.936 -6.514 1.00 44.44 H new ATOM 0 HB3 PHE A 54 5.372 -7.013 -7.177 1.00 44.44 H new ATOM 0 HD1 PHE A 54 7.093 -6.357 -3.952 1.00 21.21 H new ATOM 0 HD2 PHE A 54 3.360 -7.204 -5.926 1.00 3.12 H new ATOM 0 HE1 PHE A 54 5.879 -5.966 -1.819 1.00 73.55 H new ATOM 0 HE2 PHE A 54 2.137 -6.641 -3.832 1.00 24.30 H new ATOM 0 HZ PHE A 54 3.401 -6.112 -1.757 1.00 52.32 H new ATOM 841 N THR A 55 6.473 -9.925 -5.079 1.00 63.23 N ATOM 842 CA THR A 55 5.909 -11.208 -4.682 1.00 21.50 C ATOM 843 C THR A 55 5.108 -11.010 -3.389 1.00 33.43 C ATOM 844 O THR A 55 5.346 -10.048 -2.650 1.00 53.23 O ATOM 845 CB THR A 55 7.045 -12.221 -4.453 1.00 23.31 C ATOM 846 OG1 THR A 55 7.965 -11.741 -3.493 1.00 53.44 O ATOM 847 CG2 THR A 55 7.831 -12.533 -5.721 1.00 23.20 C ATOM 0 H THR A 55 6.846 -9.412 -4.281 1.00 63.23 H new ATOM 0 HA THR A 55 5.253 -11.591 -5.464 1.00 21.50 H new ATOM 0 HB THR A 55 6.554 -13.130 -4.107 1.00 23.31 H new ATOM 0 HG1 THR A 55 8.564 -12.468 -3.222 1.00 53.44 H new ATOM 0 HG21 THR A 55 8.617 -13.253 -5.494 1.00 23.20 H new ATOM 0 HG22 THR A 55 7.160 -12.953 -6.471 1.00 23.20 H new ATOM 0 HG23 THR A 55 8.278 -11.617 -6.107 1.00 23.20 H new ATOM 855 N LYS A 56 4.215 -11.947 -3.038 1.00 54.05 N ATOM 856 CA LYS A 56 3.467 -11.898 -1.784 1.00 61.43 C ATOM 857 C LYS A 56 4.367 -12.133 -0.571 1.00 33.51 C ATOM 858 O LYS A 56 3.904 -12.022 0.562 1.00 41.41 O ATOM 859 CB LYS A 56 2.332 -12.932 -1.809 1.00 11.00 C ATOM 860 CG LYS A 56 1.236 -12.677 -2.863 1.00 34.10 C ATOM 861 CD LYS A 56 1.253 -13.728 -3.980 1.00 75.32 C ATOM 862 CE LYS A 56 0.692 -15.042 -3.429 1.00 72.35 C ATOM 863 NZ LYS A 56 1.004 -16.195 -4.301 1.00 62.11 N ATOM 0 H LYS A 56 3.995 -12.757 -3.618 1.00 54.05 H new ATOM 0 HA LYS A 56 3.046 -10.897 -1.690 1.00 61.43 H new ATOM 0 HB2 LYS A 56 2.763 -13.917 -1.987 1.00 11.00 H new ATOM 0 HB3 LYS A 56 1.867 -12.961 -0.824 1.00 11.00 H new ATOM 0 HG2 LYS A 56 0.260 -12.680 -2.378 1.00 34.10 H new ATOM 0 HG3 LYS A 56 1.374 -11.686 -3.296 1.00 34.10 H new ATOM 0 HD2 LYS A 56 0.657 -13.389 -4.827 1.00 75.32 H new ATOM 0 HD3 LYS A 56 2.270 -13.875 -4.345 1.00 75.32 H new ATOM 0 HE2 LYS A 56 1.101 -15.220 -2.434 1.00 72.35 H new ATOM 0 HE3 LYS A 56 -0.389 -14.955 -3.318 1.00 72.35 H new ATOM 0 HZ1 LYS A 56 0.604 -17.061 -3.887 1.00 62.11 H new ATOM 0 HZ2 LYS A 56 0.592 -16.039 -5.243 1.00 62.11 H new ATOM 0 HZ3 LYS A 56 2.035 -16.296 -4.387 1.00 62.11 H new ATOM 877 N GLU A 57 5.629 -12.519 -0.755 1.00 41.24 N ATOM 878 CA GLU A 57 6.607 -12.598 0.329 1.00 43.03 C ATOM 879 C GLU A 57 6.812 -11.187 0.886 1.00 13.34 C ATOM 880 O GLU A 57 6.870 -10.975 2.095 1.00 21.23 O ATOM 881 CB GLU A 57 7.935 -13.149 -0.216 1.00 61.51 C ATOM 882 CG GLU A 57 7.814 -14.571 -0.807 1.00 22.43 C ATOM 883 CD GLU A 57 8.770 -14.841 -1.976 1.00 35.53 C ATOM 884 OE1 GLU A 57 9.214 -13.900 -2.671 1.00 15.42 O ATOM 885 OE2 GLU A 57 9.073 -16.022 -2.260 1.00 60.33 O ATOM 0 H GLU A 57 6.003 -12.787 -1.665 1.00 41.24 H new ATOM 0 HA GLU A 57 6.253 -13.263 1.117 1.00 43.03 H new ATOM 0 HB2 GLU A 57 8.311 -12.475 -0.986 1.00 61.51 H new ATOM 0 HB3 GLU A 57 8.672 -13.159 0.587 1.00 61.51 H new ATOM 0 HG2 GLU A 57 8.005 -15.299 -0.019 1.00 22.43 H new ATOM 0 HG3 GLU A 57 6.789 -14.728 -1.144 1.00 22.43 H new ATOM 892 N LYS A 58 6.896 -10.201 -0.005 1.00 74.54 N ATOM 893 CA LYS A 58 7.254 -8.826 0.305 1.00 73.15 C ATOM 894 C LYS A 58 6.032 -7.965 0.616 1.00 51.25 C ATOM 895 O LYS A 58 6.090 -6.755 0.448 1.00 42.33 O ATOM 896 CB LYS A 58 8.073 -8.277 -0.867 1.00 44.31 C ATOM 897 CG LYS A 58 9.315 -9.154 -1.066 1.00 30.54 C ATOM 898 CD LYS A 58 10.393 -8.518 -1.935 1.00 12.20 C ATOM 899 CE LYS A 58 9.929 -8.413 -3.383 1.00 54.14 C ATOM 900 NZ LYS A 58 11.083 -8.340 -4.299 1.00 21.13 N ATOM 0 H LYS A 58 6.709 -10.347 -0.997 1.00 74.54 H new ATOM 0 HA LYS A 58 7.855 -8.799 1.214 1.00 73.15 H new ATOM 0 HB2 LYS A 58 7.470 -8.267 -1.775 1.00 44.31 H new ATOM 0 HB3 LYS A 58 8.368 -7.246 -0.669 1.00 44.31 H new ATOM 0 HG2 LYS A 58 9.741 -9.388 -0.091 1.00 30.54 H new ATOM 0 HG3 LYS A 58 9.011 -10.099 -1.516 1.00 30.54 H new ATOM 0 HD2 LYS A 58 10.636 -7.526 -1.553 1.00 12.20 H new ATOM 0 HD3 LYS A 58 11.306 -9.112 -1.883 1.00 12.20 H new ATOM 0 HE2 LYS A 58 9.313 -9.276 -3.636 1.00 54.14 H new ATOM 0 HE3 LYS A 58 9.305 -7.528 -3.506 1.00 54.14 H new ATOM 0 HZ1 LYS A 58 10.750 -8.406 -5.282 1.00 21.13 H new ATOM 0 HZ2 LYS A 58 11.579 -7.437 -4.161 1.00 21.13 H new ATOM 0 HZ3 LYS A 58 11.734 -9.126 -4.101 1.00 21.13 H new ATOM 914 N TRP A 59 4.926 -8.587 1.016 1.00 5.33 N ATOM 915 CA TRP A 59 3.642 -7.967 1.295 1.00 70.41 C ATOM 916 C TRP A 59 3.527 -7.606 2.786 1.00 12.44 C ATOM 917 O TRP A 59 3.191 -8.503 3.572 1.00 45.13 O ATOM 918 CB TRP A 59 2.492 -8.859 0.810 1.00 34.22 C ATOM 919 CG TRP A 59 1.154 -8.207 0.964 1.00 61.41 C ATOM 920 CD1 TRP A 59 0.425 -8.189 2.098 1.00 21.34 C ATOM 921 CD2 TRP A 59 0.447 -7.339 0.034 1.00 74.54 C ATOM 922 NE1 TRP A 59 -0.642 -7.330 1.956 1.00 43.43 N ATOM 923 CE2 TRP A 59 -0.683 -6.781 0.698 1.00 53.11 C ATOM 924 CE3 TRP A 59 0.687 -6.920 -1.287 1.00 5.32 C ATOM 925 CZ2 TRP A 59 -1.519 -5.836 0.091 1.00 10.31 C ATOM 926 CZ3 TRP A 59 -0.133 -5.960 -1.907 1.00 70.44 C ATOM 927 CH2 TRP A 59 -1.235 -5.427 -1.220 1.00 31.32 C ATOM 0 H TRP A 59 4.905 -9.596 1.161 1.00 5.33 H new ATOM 0 HA TRP A 59 3.570 -7.033 0.738 1.00 70.41 H new ATOM 0 HB2 TRP A 59 2.650 -9.112 -0.238 1.00 34.22 H new ATOM 0 HB3 TRP A 59 2.503 -9.795 1.369 1.00 34.22 H new ATOM 0 HD1 TRP A 59 0.645 -8.763 2.986 1.00 21.34 H new ATOM 0 HE1 TRP A 59 -1.317 -7.127 2.693 1.00 43.43 H new ATOM 0 HE3 TRP A 59 1.516 -7.343 -1.835 1.00 5.32 H new ATOM 0 HZ2 TRP A 59 -2.367 -5.430 0.623 1.00 10.31 H new ATOM 0 HZ3 TRP A 59 0.085 -5.633 -2.913 1.00 70.44 H new ATOM 0 HH2 TRP A 59 -1.868 -4.698 -1.704 1.00 31.32 H new ATOM 938 N PRO A 60 3.955 -6.415 3.248 1.00 1.33 N ATOM 939 CA PRO A 60 3.651 -5.987 4.608 1.00 11.13 C ATOM 940 C PRO A 60 2.133 -5.990 4.850 1.00 65.31 C ATOM 941 O PRO A 60 1.353 -5.595 3.978 1.00 3.22 O ATOM 942 CB PRO A 60 4.278 -4.596 4.769 1.00 45.32 C ATOM 943 CG PRO A 60 4.351 -4.052 3.348 1.00 22.42 C ATOM 944 CD PRO A 60 4.536 -5.306 2.500 1.00 50.11 C ATOM 0 HA PRO A 60 4.063 -6.667 5.354 1.00 11.13 H new ATOM 0 HB2 PRO A 60 3.670 -3.957 5.409 1.00 45.32 H new ATOM 0 HB3 PRO A 60 5.267 -4.655 5.224 1.00 45.32 H new ATOM 0 HG2 PRO A 60 3.443 -3.513 3.077 1.00 22.42 H new ATOM 0 HG3 PRO A 60 5.182 -3.358 3.226 1.00 22.42 H new ATOM 0 HD2 PRO A 60 4.045 -5.194 1.533 1.00 50.11 H new ATOM 0 HD3 PRO A 60 5.593 -5.486 2.302 1.00 50.11 H new ATOM 952 N LEU A 61 1.719 -6.498 6.012 1.00 33.12 N ATOM 953 CA LEU A 61 0.357 -6.497 6.525 1.00 4.44 C ATOM 954 C LEU A 61 0.047 -5.091 7.013 1.00 44.24 C ATOM 955 O LEU A 61 0.310 -4.741 8.163 1.00 53.10 O ATOM 956 CB LEU A 61 0.210 -7.546 7.645 1.00 73.55 C ATOM 957 CG LEU A 61 -0.336 -8.889 7.141 1.00 1.10 C ATOM 958 CD1 LEU A 61 0.399 -9.461 5.937 1.00 53.22 C ATOM 959 CD2 LEU A 61 -0.286 -9.965 8.226 1.00 23.52 C ATOM 0 H LEU A 61 2.370 -6.948 6.656 1.00 33.12 H new ATOM 0 HA LEU A 61 -0.356 -6.770 5.747 1.00 4.44 H new ATOM 0 HB2 LEU A 61 1.181 -7.708 8.114 1.00 73.55 H new ATOM 0 HB3 LEU A 61 -0.455 -7.156 8.416 1.00 73.55 H new ATOM 0 HG LEU A 61 -1.359 -8.649 6.851 1.00 1.10 H new ATOM 0 HD11 LEU A 61 -0.055 -10.410 5.651 1.00 53.22 H new ATOM 0 HD12 LEU A 61 0.333 -8.761 5.104 1.00 53.22 H new ATOM 0 HD13 LEU A 61 1.446 -9.622 6.193 1.00 53.22 H new ATOM 0 HD21 LEU A 61 -0.681 -10.900 7.829 1.00 23.52 H new ATOM 0 HD22 LEU A 61 0.746 -10.113 8.544 1.00 23.52 H new ATOM 0 HD23 LEU A 61 -0.887 -9.650 9.079 1.00 23.52 H new ATOM 971 N LEU A 62 -0.483 -4.285 6.098 1.00 33.42 N ATOM 972 CA LEU A 62 -0.885 -2.913 6.387 1.00 45.42 C ATOM 973 C LEU A 62 -2.148 -2.939 7.240 1.00 62.30 C ATOM 974 O LEU A 62 -2.866 -3.944 7.250 1.00 51.33 O ATOM 975 CB LEU A 62 -1.144 -2.143 5.080 1.00 12.45 C ATOM 976 CG LEU A 62 0.029 -2.168 4.083 1.00 72.22 C ATOM 977 CD1 LEU A 62 -0.356 -1.390 2.822 1.00 13.11 C ATOM 978 CD2 LEU A 62 1.319 -1.606 4.690 1.00 30.32 C ATOM 0 H LEU A 62 -0.646 -4.567 5.131 1.00 33.42 H new ATOM 0 HA LEU A 62 -0.086 -2.406 6.928 1.00 45.42 H new ATOM 0 HB2 LEU A 62 -2.026 -2.561 4.595 1.00 12.45 H new ATOM 0 HB3 LEU A 62 -1.376 -1.106 5.323 1.00 12.45 H new ATOM 0 HG LEU A 62 0.229 -3.208 3.826 1.00 72.22 H new ATOM 0 HD11 LEU A 62 0.474 -1.408 2.116 1.00 13.11 H new ATOM 0 HD12 LEU A 62 -1.232 -1.850 2.364 1.00 13.11 H new ATOM 0 HD13 LEU A 62 -0.585 -0.358 3.087 1.00 13.11 H new ATOM 0 HD21 LEU A 62 2.117 -1.645 3.949 1.00 30.32 H new ATOM 0 HD22 LEU A 62 1.157 -0.572 4.995 1.00 30.32 H new ATOM 0 HD23 LEU A 62 1.602 -2.201 5.559 1.00 30.32 H new ATOM 990 N ASP A 63 -2.460 -1.833 7.911 1.00 3.22 N ATOM 991 CA ASP A 63 -3.643 -1.719 8.761 1.00 43.12 C ATOM 992 C ASP A 63 -4.224 -0.317 8.650 1.00 32.34 C ATOM 993 O ASP A 63 -3.792 0.500 7.835 1.00 5.03 O ATOM 994 CB ASP A 63 -3.293 -2.063 10.219 1.00 64.21 C ATOM 995 CG ASP A 63 -4.494 -2.365 11.111 1.00 25.32 C ATOM 996 OD1 ASP A 63 -5.615 -2.561 10.590 1.00 42.22 O ATOM 997 OD2 ASP A 63 -4.355 -2.310 12.347 1.00 32.15 O ATOM 0 H ASP A 63 -1.895 -0.984 7.880 1.00 3.22 H new ATOM 0 HA ASP A 63 -4.396 -2.431 8.424 1.00 43.12 H new ATOM 0 HB2 ASP A 63 -2.628 -2.927 10.224 1.00 64.21 H new ATOM 0 HB3 ASP A 63 -2.738 -1.230 10.651 1.00 64.21 H new ATOM 1002 N SER A 64 -5.215 -0.035 9.483 1.00 42.33 N ATOM 1003 CA SER A 64 -5.874 1.258 9.592 1.00 22.52 C ATOM 1004 C SER A 64 -4.864 2.359 9.944 1.00 25.32 C ATOM 1005 O SER A 64 -5.114 3.517 9.628 1.00 24.11 O ATOM 1006 CB SER A 64 -7.010 1.157 10.622 1.00 62.43 C ATOM 1007 OG SER A 64 -7.872 2.285 10.590 1.00 43.10 O ATOM 0 H SER A 64 -5.597 -0.728 10.127 1.00 42.33 H new ATOM 0 HA SER A 64 -6.307 1.534 8.631 1.00 22.52 H new ATOM 0 HB2 SER A 64 -7.590 0.254 10.431 1.00 62.43 H new ATOM 0 HB3 SER A 64 -6.584 1.057 11.620 1.00 62.43 H new ATOM 0 HG SER A 64 -8.579 2.176 11.260 1.00 43.10 H new ATOM 1013 N GLU A 65 -3.712 2.038 10.544 1.00 64.42 N ATOM 1014 CA GLU A 65 -2.629 2.991 10.804 1.00 3.21 C ATOM 1015 C GLU A 65 -2.120 3.674 9.532 1.00 23.54 C ATOM 1016 O GLU A 65 -1.615 4.793 9.605 1.00 24.43 O ATOM 1017 CB GLU A 65 -1.465 2.280 11.520 1.00 34.21 C ATOM 1018 CG GLU A 65 -0.711 1.292 10.607 1.00 32.15 C ATOM 1019 CD GLU A 65 0.423 0.542 11.304 1.00 12.14 C ATOM 1020 OE1 GLU A 65 1.466 1.173 11.589 1.00 5.42 O ATOM 1021 OE2 GLU A 65 0.335 -0.695 11.451 1.00 22.51 O ATOM 0 H GLU A 65 -3.504 1.093 10.867 1.00 64.42 H new ATOM 0 HA GLU A 65 -3.039 3.773 11.443 1.00 3.21 H new ATOM 0 HB2 GLU A 65 -0.765 3.027 11.894 1.00 34.21 H new ATOM 0 HB3 GLU A 65 -1.852 1.743 12.386 1.00 34.21 H new ATOM 0 HG2 GLU A 65 -1.421 0.567 10.209 1.00 32.15 H new ATOM 0 HG3 GLU A 65 -0.303 1.838 9.757 1.00 32.15 H new ATOM 1028 N THR A 66 -2.235 3.005 8.385 1.00 73.13 N ATOM 1029 CA THR A 66 -1.725 3.468 7.106 1.00 74.24 C ATOM 1030 C THR A 66 -2.734 4.377 6.404 1.00 31.13 C ATOM 1031 O THR A 66 -2.387 4.979 5.394 1.00 14.43 O ATOM 1032 CB THR A 66 -1.371 2.220 6.255 1.00 51.40 C ATOM 1033 OG1 THR A 66 -0.690 1.242 7.024 1.00 71.53 O ATOM 1034 CG2 THR A 66 -0.569 2.495 4.977 1.00 23.42 C ATOM 0 H THR A 66 -2.700 2.099 8.324 1.00 73.13 H new ATOM 0 HA THR A 66 -0.830 4.072 7.252 1.00 74.24 H new ATOM 0 HB THR A 66 -2.344 1.851 5.932 1.00 51.40 H new ATOM 0 HG1 THR A 66 -0.343 0.543 6.431 1.00 71.53 H new ATOM 0 HG21 THR A 66 -0.376 1.555 4.459 1.00 23.42 H new ATOM 0 HG22 THR A 66 -1.138 3.158 4.326 1.00 23.42 H new ATOM 0 HG23 THR A 66 0.378 2.967 5.237 1.00 23.42 H new ATOM 1042 N MET A 67 -3.966 4.491 6.908 1.00 74.42 N ATOM 1043 CA MET A 67 -5.038 5.244 6.272 1.00 54.20 C ATOM 1044 C MET A 67 -5.462 6.383 7.199 1.00 65.33 C ATOM 1045 O MET A 67 -6.650 6.542 7.481 1.00 10.32 O ATOM 1046 CB MET A 67 -6.185 4.285 5.898 1.00 63.42 C ATOM 1047 CG MET A 67 -7.171 4.884 4.885 1.00 13.43 C ATOM 1048 SD MET A 67 -6.486 5.257 3.242 1.00 21.53 S ATOM 1049 CE MET A 67 -6.142 3.583 2.638 1.00 61.22 C ATOM 0 H MET A 67 -4.246 4.053 7.785 1.00 74.42 H new ATOM 0 HA MET A 67 -4.706 5.703 5.341 1.00 54.20 H new ATOM 0 HB2 MET A 67 -5.763 3.368 5.486 1.00 63.42 H new ATOM 0 HB3 MET A 67 -6.727 4.008 6.802 1.00 63.42 H new ATOM 0 HG2 MET A 67 -8.003 4.191 4.762 1.00 13.43 H new ATOM 0 HG3 MET A 67 -7.581 5.803 5.304 1.00 13.43 H new ATOM 0 HE1 MET A 67 -5.885 3.624 1.580 1.00 61.22 H new ATOM 0 HE2 MET A 67 -5.309 3.158 3.198 1.00 61.22 H new ATOM 0 HE3 MET A 67 -7.025 2.959 2.773 1.00 61.22 H new ATOM 1059 N LYS A 68 -4.508 7.152 7.730 1.00 53.33 N ATOM 1060 CA LYS A 68 -4.819 8.412 8.408 1.00 13.33 C ATOM 1061 C LYS A 68 -4.366 9.569 7.510 1.00 24.55 C ATOM 1062 O LYS A 68 -3.534 9.393 6.623 1.00 43.44 O ATOM 1063 CB LYS A 68 -4.193 8.438 9.820 1.00 33.32 C ATOM 1064 CG LYS A 68 -5.120 7.874 10.913 1.00 63.43 C ATOM 1065 CD LYS A 68 -5.166 6.341 10.975 1.00 12.24 C ATOM 1066 CE LYS A 68 -6.227 5.889 11.995 1.00 45.42 C ATOM 1067 NZ LYS A 68 -6.195 4.426 12.197 1.00 41.31 N ATOM 0 H LYS A 68 -3.514 6.924 7.703 1.00 53.33 H new ATOM 0 HA LYS A 68 -5.892 8.517 8.566 1.00 13.33 H new ATOM 0 HB2 LYS A 68 -3.266 7.864 9.809 1.00 33.32 H new ATOM 0 HB3 LYS A 68 -3.929 9.465 10.073 1.00 33.32 H new ATOM 0 HG2 LYS A 68 -4.795 8.255 11.881 1.00 63.43 H new ATOM 0 HG3 LYS A 68 -6.130 8.249 10.746 1.00 63.43 H new ATOM 0 HD2 LYS A 68 -5.399 5.935 9.991 1.00 12.24 H new ATOM 0 HD3 LYS A 68 -4.188 5.950 11.257 1.00 12.24 H new ATOM 0 HE2 LYS A 68 -6.056 6.393 12.947 1.00 45.42 H new ATOM 0 HE3 LYS A 68 -7.216 6.188 11.649 1.00 45.42 H new ATOM 0 HZ1 LYS A 68 -6.499 4.203 13.166 1.00 41.31 H new ATOM 0 HZ2 LYS A 68 -6.836 3.968 11.519 1.00 41.31 H new ATOM 0 HZ3 LYS A 68 -5.227 4.076 12.049 1.00 41.31 H new ATOM 1081 N GLU A 69 -4.939 10.756 7.702 1.00 4.11 N ATOM 1082 CA GLU A 69 -4.637 11.936 6.903 1.00 41.10 C ATOM 1083 C GLU A 69 -4.398 13.110 7.822 1.00 50.04 C ATOM 1084 O GLU A 69 -5.148 13.302 8.784 1.00 25.15 O ATOM 1085 CB GLU A 69 -5.805 12.299 5.972 1.00 44.32 C ATOM 1086 CG GLU A 69 -6.496 11.158 5.219 1.00 73.43 C ATOM 1087 CD GLU A 69 -7.896 10.919 5.775 1.00 5.02 C ATOM 1088 OE1 GLU A 69 -8.821 11.688 5.429 1.00 73.53 O ATOM 1089 OE2 GLU A 69 -8.060 9.976 6.587 1.00 44.02 O ATOM 0 H GLU A 69 -5.635 10.924 8.428 1.00 4.11 H new ATOM 0 HA GLU A 69 -3.755 11.714 6.302 1.00 41.10 H new ATOM 0 HB2 GLU A 69 -6.560 12.814 6.566 1.00 44.32 H new ATOM 0 HB3 GLU A 69 -5.437 13.013 5.235 1.00 44.32 H new ATOM 0 HG2 GLU A 69 -6.557 11.399 4.158 1.00 73.43 H new ATOM 0 HG3 GLU A 69 -5.904 10.247 5.305 1.00 73.43 H new ATOM 1096 N GLU A 70 -3.391 13.910 7.496 1.00 51.40 N ATOM 1097 CA GLU A 70 -3.063 15.126 8.198 1.00 10.11 C ATOM 1098 C GLU A 70 -2.131 15.989 7.336 1.00 61.22 C ATOM 1099 O GLU A 70 -1.837 15.677 6.175 1.00 31.21 O ATOM 1100 CB GLU A 70 -2.506 14.775 9.583 1.00 70.43 C ATOM 1101 CG GLU A 70 -1.130 14.136 9.628 1.00 34.34 C ATOM 1102 CD GLU A 70 -0.951 13.411 10.965 1.00 21.32 C ATOM 1103 OE1 GLU A 70 -0.601 14.091 11.969 1.00 41.40 O ATOM 1104 OE2 GLU A 70 -1.256 12.201 11.042 1.00 1.42 O ATOM 0 H GLU A 70 -2.767 13.718 6.712 1.00 51.40 H new ATOM 0 HA GLU A 70 -3.950 15.735 8.371 1.00 10.11 H new ATOM 0 HB2 GLU A 70 -2.476 15.688 10.178 1.00 70.43 H new ATOM 0 HB3 GLU A 70 -3.210 14.100 10.071 1.00 70.43 H new ATOM 0 HG2 GLU A 70 -1.016 13.434 8.802 1.00 34.34 H new ATOM 0 HG3 GLU A 70 -0.359 14.897 9.508 1.00 34.34 H new ATOM 1111 N ARG A 71 -1.700 17.125 7.882 1.00 65.52 N ATOM 1112 CA ARG A 71 -0.633 17.939 7.321 1.00 73.13 C ATOM 1113 C ARG A 71 0.206 18.437 8.488 1.00 42.23 C ATOM 1114 O ARG A 71 -0.319 19.160 9.336 1.00 74.10 O ATOM 1115 CB ARG A 71 -1.206 19.109 6.507 1.00 65.12 C ATOM 1116 CG ARG A 71 -0.106 19.839 5.712 1.00 22.43 C ATOM 1117 CD ARG A 71 -0.306 21.352 5.698 1.00 51.34 C ATOM 1118 NE ARG A 71 -1.587 21.739 5.084 1.00 74.22 N ATOM 1119 CZ ARG A 71 -2.126 22.960 5.139 1.00 33.11 C ATOM 1120 NH1 ARG A 71 -1.617 23.875 5.956 1.00 62.13 N ATOM 1121 NH2 ARG A 71 -3.175 23.258 4.378 1.00 21.13 N ATOM 0 H ARG A 71 -2.092 17.509 8.742 1.00 65.52 H new ATOM 0 HA ARG A 71 -0.021 17.355 6.634 1.00 73.13 H new ATOM 0 HB2 ARG A 71 -1.966 18.737 5.820 1.00 65.12 H new ATOM 0 HB3 ARG A 71 -1.699 19.813 7.178 1.00 65.12 H new ATOM 0 HG2 ARG A 71 0.867 19.608 6.146 1.00 22.43 H new ATOM 0 HG3 ARG A 71 -0.094 19.467 4.687 1.00 22.43 H new ATOM 0 HD2 ARG A 71 -0.265 21.731 6.719 1.00 51.34 H new ATOM 0 HD3 ARG A 71 0.513 21.820 5.151 1.00 51.34 H new ATOM 0 HE ARG A 71 -2.103 21.019 4.578 1.00 74.22 H new ATOM 0 HH11 ARG A 71 -0.814 23.646 6.542 1.00 62.13 H new ATOM 0 HH12 ARG A 71 -2.029 24.807 5.998 1.00 62.13 H new ATOM 0 HH21 ARG A 71 -3.568 22.554 3.753 1.00 21.13 H new ATOM 0 HH22 ARG A 71 -3.587 24.190 4.420 1.00 21.13 H new ATOM 1135 N ILE A 72 1.463 18.025 8.591 1.00 13.31 N ATOM 1136 CA ILE A 72 2.372 18.492 9.617 1.00 30.15 C ATOM 1137 C ILE A 72 3.218 19.590 8.982 1.00 31.55 C ATOM 1138 O ILE A 72 4.135 19.303 8.219 1.00 22.43 O ATOM 1139 CB ILE A 72 3.219 17.341 10.201 1.00 51.03 C ATOM 1140 CG1 ILE A 72 2.359 16.132 10.650 1.00 43.21 C ATOM 1141 CG2 ILE A 72 3.986 17.933 11.397 1.00 34.24 C ATOM 1142 CD1 ILE A 72 2.194 15.021 9.608 1.00 21.21 C ATOM 0 H ILE A 72 1.881 17.348 7.953 1.00 13.31 H new ATOM 0 HA ILE A 72 1.827 18.891 10.473 1.00 30.15 H new ATOM 0 HB ILE A 72 3.891 16.952 9.436 1.00 51.03 H new ATOM 0 HG12 ILE A 72 2.806 15.703 11.547 1.00 43.21 H new ATOM 0 HG13 ILE A 72 1.370 16.495 10.929 1.00 43.21 H new ATOM 0 HG21 ILE A 72 4.605 17.159 11.851 1.00 34.24 H new ATOM 0 HG22 ILE A 72 4.620 18.750 11.054 1.00 34.24 H new ATOM 0 HG23 ILE A 72 3.277 18.309 12.134 1.00 34.24 H new ATOM 0 HD11 ILE A 72 1.576 14.223 10.021 1.00 21.21 H new ATOM 0 HD12 ILE A 72 1.715 15.426 8.717 1.00 21.21 H new ATOM 0 HD13 ILE A 72 3.173 14.622 9.344 1.00 21.21 H new ATOM 1154 N THR A 73 2.888 20.848 9.260 1.00 64.42 N ATOM 1155 CA THR A 73 3.766 21.959 8.928 1.00 11.05 C ATOM 1156 C THR A 73 4.812 22.081 10.056 1.00 61.14 C ATOM 1157 O THR A 73 4.525 21.785 11.223 1.00 71.20 O ATOM 1158 CB THR A 73 2.883 23.196 8.667 1.00 51.11 C ATOM 1159 OG1 THR A 73 3.503 24.134 7.816 1.00 1.44 O ATOM 1160 CG2 THR A 73 2.395 23.916 9.927 1.00 52.12 C ATOM 0 H THR A 73 2.017 21.121 9.715 1.00 64.42 H new ATOM 0 HA THR A 73 4.343 21.823 8.013 1.00 11.05 H new ATOM 0 HB THR A 73 2.006 22.775 8.176 1.00 51.11 H new ATOM 0 HG1 THR A 73 2.904 24.898 7.680 1.00 1.44 H new ATOM 0 HG21 THR A 73 1.782 24.772 9.643 1.00 52.12 H new ATOM 0 HG22 THR A 73 1.802 23.230 10.532 1.00 52.12 H new ATOM 0 HG23 THR A 73 3.253 24.260 10.505 1.00 52.12 H new ATOM 1168 N GLN A 74 6.034 22.458 9.699 1.00 10.11 N ATOM 1169 CA GLN A 74 7.246 22.499 10.502 1.00 34.15 C ATOM 1170 C GLN A 74 7.976 23.824 10.227 1.00 72.32 C ATOM 1171 O GLN A 74 7.383 24.765 9.690 1.00 42.30 O ATOM 1172 CB GLN A 74 8.128 21.305 10.110 1.00 74.21 C ATOM 1173 CG GLN A 74 7.391 19.964 10.026 1.00 73.10 C ATOM 1174 CD GLN A 74 8.365 18.835 9.681 1.00 44.21 C ATOM 1175 OE1 GLN A 74 9.537 19.083 9.401 1.00 41.33 O ATOM 1176 NE2 GLN A 74 7.956 17.583 9.698 1.00 74.11 N ATOM 0 H GLN A 74 6.216 22.773 8.746 1.00 10.11 H new ATOM 0 HA GLN A 74 7.013 22.439 11.565 1.00 34.15 H new ATOM 0 HB2 GLN A 74 8.588 21.512 9.144 1.00 74.21 H new ATOM 0 HB3 GLN A 74 8.937 21.215 10.835 1.00 74.21 H new ATOM 0 HG2 GLN A 74 6.902 19.752 10.977 1.00 73.10 H new ATOM 0 HG3 GLN A 74 6.608 20.020 9.270 1.00 73.10 H new ATOM 0 HE21 GLN A 74 6.986 17.366 9.929 1.00 74.11 H new ATOM 0 HE22 GLN A 74 8.609 16.830 9.480 1.00 74.11 H new ATOM 1185 N GLU A 75 9.253 23.941 10.606 1.00 71.34 N ATOM 1186 CA GLU A 75 10.082 25.067 10.168 1.00 62.30 C ATOM 1187 C GLU A 75 11.420 24.576 9.591 1.00 1.41 C ATOM 1188 O GLU A 75 11.880 25.054 8.556 1.00 45.42 O ATOM 1189 CB GLU A 75 10.110 26.155 11.242 1.00 12.13 C ATOM 1190 CG GLU A 75 11.343 26.017 12.077 1.00 30.34 C ATOM 1191 CD GLU A 75 11.440 27.040 13.209 1.00 71.32 C ATOM 1192 OE1 GLU A 75 10.900 26.764 14.313 1.00 11.04 O ATOM 1193 OE2 GLU A 75 12.045 28.108 12.996 1.00 44.00 O ATOM 0 H GLU A 75 9.732 23.274 11.211 1.00 71.34 H new ATOM 0 HA GLU A 75 9.641 25.581 9.313 1.00 62.30 H new ATOM 0 HB2 GLU A 75 10.085 27.140 10.775 1.00 12.13 H new ATOM 0 HB3 GLU A 75 9.224 26.079 11.872 1.00 12.13 H new ATOM 0 HG2 GLU A 75 11.372 25.014 12.503 1.00 30.34 H new ATOM 0 HG3 GLU A 75 12.218 26.116 11.435 1.00 30.34 H new ATOM 1200 N GLU A 76 12.020 23.589 10.245 1.00 3.41 N ATOM 1201 CA GLU A 76 13.378 23.085 9.987 1.00 25.55 C ATOM 1202 C GLU A 76 13.369 21.690 9.327 1.00 64.20 C ATOM 1203 O GLU A 76 14.301 20.902 9.532 1.00 21.15 O ATOM 1204 CB GLU A 76 14.183 23.098 11.310 1.00 73.13 C ATOM 1205 CG GLU A 76 14.771 24.467 11.661 1.00 54.33 C ATOM 1206 CD GLU A 76 15.553 24.387 12.971 1.00 64.34 C ATOM 1207 OE1 GLU A 76 14.930 24.296 14.046 1.00 1.25 O ATOM 1208 OE2 GLU A 76 16.806 24.365 12.931 1.00 30.33 O ATOM 0 H GLU A 76 11.558 23.090 11.006 1.00 3.41 H new ATOM 0 HA GLU A 76 13.866 23.744 9.269 1.00 25.55 H new ATOM 0 HB2 GLU A 76 13.534 22.772 12.123 1.00 73.13 H new ATOM 0 HB3 GLU A 76 14.993 22.372 11.239 1.00 73.13 H new ATOM 0 HG2 GLU A 76 15.426 24.806 10.858 1.00 54.33 H new ATOM 0 HG3 GLU A 76 13.971 25.202 11.751 1.00 54.33 H new ATOM 1215 N GLY A 77 12.327 21.331 8.574 1.00 21.52 N ATOM 1216 CA GLY A 77 12.248 20.031 7.913 1.00 32.53 C ATOM 1217 C GLY A 77 11.504 20.122 6.595 1.00 13.13 C ATOM 1218 O GLY A 77 12.150 20.222 5.552 1.00 50.04 O ATOM 0 H GLY A 77 11.519 21.931 8.407 1.00 21.52 H new ATOM 0 HA2 GLY A 77 13.254 19.649 7.739 1.00 32.53 H new ATOM 0 HA3 GLY A 77 11.745 19.319 8.567 1.00 32.53 H new ATOM 1222 N GLY A 78 10.177 20.089 6.624 1.00 33.51 N ATOM 1223 CA GLY A 78 9.349 20.190 5.433 1.00 1.05 C ATOM 1224 C GLY A 78 7.882 20.113 5.825 1.00 70.50 C ATOM 1225 O GLY A 78 7.570 19.876 6.987 1.00 74.52 O ATOM 0 H GLY A 78 9.641 19.990 7.486 1.00 33.51 H new ATOM 0 HA2 GLY A 78 9.549 21.129 4.917 1.00 1.05 H new ATOM 0 HA3 GLY A 78 9.593 19.386 4.739 1.00 1.05 H new ATOM 1229 N ILE A 79 6.968 20.280 4.871 1.00 22.14 N ATOM 1230 CA ILE A 79 5.535 20.184 5.138 1.00 31.14 C ATOM 1231 C ILE A 79 5.114 18.744 4.869 1.00 54.10 C ATOM 1232 O ILE A 79 5.047 18.371 3.709 1.00 24.41 O ATOM 1233 CB ILE A 79 4.761 21.243 4.314 1.00 43.11 C ATOM 1234 CG1 ILE A 79 5.262 22.677 4.614 1.00 61.21 C ATOM 1235 CG2 ILE A 79 3.249 21.130 4.573 1.00 42.21 C ATOM 1236 CD1 ILE A 79 4.701 23.755 3.682 1.00 52.01 C ATOM 0 H ILE A 79 7.198 20.484 3.898 1.00 22.14 H new ATOM 0 HA ILE A 79 5.296 20.412 6.177 1.00 31.14 H new ATOM 0 HB ILE A 79 4.949 21.044 3.259 1.00 43.11 H new ATOM 0 HG12 ILE A 79 5.001 22.932 5.641 1.00 61.21 H new ATOM 0 HG13 ILE A 79 6.350 22.689 4.549 1.00 61.21 H new ATOM 0 HG21 ILE A 79 2.722 21.882 3.986 1.00 42.21 H new ATOM 0 HG22 ILE A 79 2.904 20.137 4.285 1.00 42.21 H new ATOM 0 HG23 ILE A 79 3.048 21.291 5.632 1.00 42.21 H new ATOM 0 HD11 ILE A 79 5.105 24.727 3.965 1.00 52.01 H new ATOM 0 HD12 ILE A 79 4.984 23.530 2.654 1.00 52.01 H new ATOM 0 HD13 ILE A 79 3.614 23.776 3.763 1.00 52.01 H new ATOM 1248 N TYR A 80 4.904 17.897 5.878 1.00 2.03 N ATOM 1249 CA TYR A 80 4.427 16.536 5.623 1.00 31.33 C ATOM 1250 C TYR A 80 2.927 16.567 5.331 1.00 3.03 C ATOM 1251 O TYR A 80 2.200 17.340 5.958 1.00 71.12 O ATOM 1252 CB TYR A 80 4.749 15.592 6.785 1.00 2.22 C ATOM 1253 CG TYR A 80 4.915 14.163 6.300 1.00 52.03 C ATOM 1254 CD1 TYR A 80 6.165 13.779 5.806 1.00 43.03 C ATOM 1255 CD2 TYR A 80 3.853 13.240 6.262 1.00 61.30 C ATOM 1256 CE1 TYR A 80 6.370 12.521 5.232 1.00 54.40 C ATOM 1257 CE2 TYR A 80 4.040 11.964 5.689 1.00 43.22 C ATOM 1258 CZ TYR A 80 5.300 11.611 5.147 1.00 4.13 C ATOM 1259 OH TYR A 80 5.496 10.417 4.523 1.00 3.41 O ATOM 0 H TYR A 80 5.053 18.122 6.862 1.00 2.03 H new ATOM 0 HA TYR A 80 4.951 16.144 4.751 1.00 31.33 H new ATOM 0 HB2 TYR A 80 5.663 15.919 7.281 1.00 2.22 H new ATOM 0 HB3 TYR A 80 3.951 15.637 7.526 1.00 2.22 H new ATOM 0 HD1 TYR A 80 6.992 14.471 5.869 1.00 43.03 H new ATOM 0 HD2 TYR A 80 2.891 13.509 6.673 1.00 61.30 H new ATOM 0 HE1 TYR A 80 7.345 12.249 4.856 1.00 54.40 H new ATOM 0 HE2 TYR A 80 3.223 11.258 5.664 1.00 43.22 H new ATOM 0 HH TYR A 80 4.666 9.896 4.545 1.00 3.41 H new ATOM 1269 N VAL A 81 2.439 15.731 4.416 1.00 61.11 N ATOM 1270 CA VAL A 81 1.063 15.708 3.948 1.00 21.55 C ATOM 1271 C VAL A 81 0.675 14.255 3.653 1.00 64.40 C ATOM 1272 O VAL A 81 1.327 13.591 2.841 1.00 4.21 O ATOM 1273 CB VAL A 81 0.905 16.584 2.680 1.00 72.54 C ATOM 1274 CG1 VAL A 81 -0.578 16.919 2.499 1.00 3.12 C ATOM 1275 CG2 VAL A 81 1.697 17.900 2.689 1.00 23.24 C ATOM 0 H VAL A 81 3.019 15.024 3.965 1.00 61.11 H new ATOM 0 HA VAL A 81 0.405 16.116 4.715 1.00 21.55 H new ATOM 0 HB VAL A 81 1.312 15.992 1.860 1.00 72.54 H new ATOM 0 HG11 VAL A 81 -0.706 17.536 1.610 1.00 3.12 H new ATOM 0 HG12 VAL A 81 -1.148 15.997 2.386 1.00 3.12 H new ATOM 0 HG13 VAL A 81 -0.937 17.463 3.373 1.00 3.12 H new ATOM 0 HG21 VAL A 81 1.519 18.438 1.758 1.00 23.24 H new ATOM 0 HG22 VAL A 81 1.374 18.513 3.531 1.00 23.24 H new ATOM 0 HG23 VAL A 81 2.761 17.684 2.785 1.00 23.24 H new ATOM 1285 N SER A 82 -0.401 13.768 4.269 1.00 71.32 N ATOM 1286 CA SER A 82 -1.002 12.469 3.988 1.00 64.44 C ATOM 1287 C SER A 82 -2.470 12.694 3.639 1.00 65.43 C ATOM 1288 O SER A 82 -3.154 13.386 4.396 1.00 11.04 O ATOM 1289 CB SER A 82 -0.808 11.543 5.199 1.00 74.41 C ATOM 1290 OG SER A 82 -1.107 12.161 6.441 1.00 44.13 O ATOM 0 H SER A 82 -0.892 14.284 4.999 1.00 71.32 H new ATOM 0 HA SER A 82 -0.524 11.978 3.140 1.00 64.44 H new ATOM 0 HB2 SER A 82 -1.441 10.664 5.079 1.00 74.41 H new ATOM 0 HB3 SER A 82 0.224 11.193 5.216 1.00 74.41 H new ATOM 0 HG SER A 82 -0.965 11.519 7.168 1.00 44.13 H new ATOM 1296 N LYS A 83 -2.957 12.198 2.490 1.00 63.41 N ATOM 1297 CA LYS A 83 -4.371 12.280 2.092 1.00 42.21 C ATOM 1298 C LYS A 83 -4.634 11.530 0.789 1.00 42.43 C ATOM 1299 O LYS A 83 -3.726 11.053 0.109 1.00 10.44 O ATOM 1300 CB LYS A 83 -4.912 13.734 2.050 1.00 11.11 C ATOM 1301 CG LYS A 83 -3.990 14.815 1.448 1.00 43.00 C ATOM 1302 CD LYS A 83 -4.275 16.206 2.042 1.00 45.03 C ATOM 1303 CE LYS A 83 -3.870 16.281 3.526 1.00 23.32 C ATOM 1304 NZ LYS A 83 -4.004 17.640 4.088 1.00 42.20 N ATOM 0 H LYS A 83 -2.372 11.723 1.803 1.00 63.41 H new ATOM 0 HA LYS A 83 -4.937 11.779 2.877 1.00 42.21 H new ATOM 0 HB2 LYS A 83 -5.843 13.731 1.483 1.00 11.11 H new ATOM 0 HB3 LYS A 83 -5.160 14.031 3.069 1.00 11.11 H new ATOM 0 HG2 LYS A 83 -2.949 14.548 1.631 1.00 43.00 H new ATOM 0 HG3 LYS A 83 -4.125 14.847 0.367 1.00 43.00 H new ATOM 0 HD2 LYS A 83 -3.731 16.962 1.477 1.00 45.03 H new ATOM 0 HD3 LYS A 83 -5.336 16.435 1.941 1.00 45.03 H new ATOM 0 HE2 LYS A 83 -4.488 15.592 4.102 1.00 23.32 H new ATOM 0 HE3 LYS A 83 -2.837 15.949 3.633 1.00 23.32 H new ATOM 0 HZ1 LYS A 83 -3.718 17.632 5.088 1.00 42.20 H new ATOM 0 HZ2 LYS A 83 -3.394 18.296 3.559 1.00 42.20 H new ATOM 0 HZ3 LYS A 83 -4.994 17.951 4.013 1.00 42.20 H new ATOM 1318 N PHE A 84 -5.914 11.378 0.450 1.00 63.22 N ATOM 1319 CA PHE A 84 -6.317 10.954 -0.878 1.00 71.50 C ATOM 1320 C PHE A 84 -5.978 12.070 -1.858 1.00 24.32 C ATOM 1321 O PHE A 84 -6.237 13.238 -1.564 1.00 24.12 O ATOM 1322 CB PHE A 84 -7.803 10.563 -0.907 1.00 42.11 C ATOM 1323 CG PHE A 84 -8.717 11.469 -0.107 1.00 73.40 C ATOM 1324 CD1 PHE A 84 -9.184 12.673 -0.662 1.00 43.04 C ATOM 1325 CD2 PHE A 84 -9.060 11.128 1.216 1.00 12.34 C ATOM 1326 CE1 PHE A 84 -9.971 13.542 0.109 1.00 24.33 C ATOM 1327 CE2 PHE A 84 -9.860 11.992 1.981 1.00 52.42 C ATOM 1328 CZ PHE A 84 -10.315 13.201 1.429 1.00 41.40 C ATOM 0 H PHE A 84 -6.692 11.546 1.088 1.00 63.22 H new ATOM 0 HA PHE A 84 -5.773 10.056 -1.173 1.00 71.50 H new ATOM 0 HB2 PHE A 84 -8.141 10.554 -1.943 1.00 42.11 H new ATOM 0 HB3 PHE A 84 -7.903 9.545 -0.530 1.00 42.11 H new ATOM 0 HD1 PHE A 84 -8.937 12.929 -1.682 1.00 43.04 H new ATOM 0 HD2 PHE A 84 -8.707 10.201 1.643 1.00 12.34 H new ATOM 0 HE1 PHE A 84 -10.313 14.475 -0.313 1.00 24.33 H new ATOM 0 HE2 PHE A 84 -10.126 11.727 2.994 1.00 52.42 H new ATOM 0 HZ PHE A 84 -10.928 13.867 2.018 1.00 41.40 H new ATOM 1338 N THR A 85 -5.395 11.736 -3.007 1.00 64.41 N ATOM 1339 CA THR A 85 -5.258 12.697 -4.095 1.00 43.44 C ATOM 1340 C THR A 85 -6.562 12.782 -4.897 1.00 74.24 C ATOM 1341 O THR A 85 -6.823 13.816 -5.511 1.00 74.21 O ATOM 1342 CB THR A 85 -4.069 12.335 -5.006 1.00 0.43 C ATOM 1343 OG1 THR A 85 -4.275 11.081 -5.609 1.00 15.34 O ATOM 1344 CG2 THR A 85 -2.750 12.214 -4.240 1.00 55.12 C ATOM 0 H THR A 85 -5.012 10.812 -3.207 1.00 64.41 H new ATOM 0 HA THR A 85 -5.056 13.678 -3.665 1.00 43.44 H new ATOM 0 HB THR A 85 -4.007 13.143 -5.735 1.00 0.43 H new ATOM 0 HG1 THR A 85 -3.512 10.866 -6.186 1.00 15.34 H new ATOM 0 HG21 THR A 85 -1.949 11.958 -4.933 1.00 55.12 H new ATOM 0 HG22 THR A 85 -2.521 13.164 -3.757 1.00 55.12 H new ATOM 0 HG23 THR A 85 -2.839 11.434 -3.484 1.00 55.12 H new ATOM 1352 N LEU A 86 -7.368 11.709 -4.921 1.00 53.14 N ATOM 1353 CA LEU A 86 -8.444 11.536 -5.886 1.00 60.12 C ATOM 1354 C LEU A 86 -9.690 11.008 -5.191 1.00 53.40 C ATOM 1355 O LEU A 86 -9.607 10.139 -4.322 1.00 23.33 O ATOM 1356 CB LEU A 86 -7.962 10.559 -6.972 1.00 12.34 C ATOM 1357 CG LEU A 86 -8.925 10.402 -8.160 1.00 73.22 C ATOM 1358 CD1 LEU A 86 -8.986 11.694 -8.976 1.00 3.11 C ATOM 1359 CD2 LEU A 86 -8.453 9.258 -9.063 1.00 2.13 C ATOM 0 H LEU A 86 -7.283 10.935 -4.262 1.00 53.14 H new ATOM 0 HA LEU A 86 -8.702 12.491 -6.344 1.00 60.12 H new ATOM 0 HB2 LEU A 86 -6.996 10.899 -7.346 1.00 12.34 H new ATOM 0 HB3 LEU A 86 -7.802 9.581 -6.518 1.00 12.34 H new ATOM 0 HG LEU A 86 -9.919 10.180 -7.771 1.00 73.22 H new ATOM 0 HD11 LEU A 86 -9.672 11.564 -9.813 1.00 3.11 H new ATOM 0 HD12 LEU A 86 -9.337 12.508 -8.342 1.00 3.11 H new ATOM 0 HD13 LEU A 86 -7.992 11.932 -9.356 1.00 3.11 H new ATOM 0 HD21 LEU A 86 -9.139 9.151 -9.903 1.00 2.13 H new ATOM 0 HD22 LEU A 86 -7.453 9.478 -9.437 1.00 2.13 H new ATOM 0 HD23 LEU A 86 -8.431 8.330 -8.492 1.00 2.13 H new ATOM 1371 N ASN A 87 -10.842 11.519 -5.621 1.00 60.31 N ATOM 1372 CA ASN A 87 -12.159 11.259 -5.047 1.00 3.33 C ATOM 1373 C ASN A 87 -13.084 10.623 -6.092 1.00 73.31 C ATOM 1374 O ASN A 87 -14.308 10.753 -5.999 1.00 44.32 O ATOM 1375 CB ASN A 87 -12.734 12.569 -4.474 1.00 55.42 C ATOM 1376 CG ASN A 87 -11.909 13.082 -3.304 1.00 42.12 C ATOM 1377 OD1 ASN A 87 -10.927 13.792 -3.486 1.00 44.44 O ATOM 1378 ND2 ASN A 87 -12.270 12.717 -2.089 1.00 12.14 N ATOM 0 H ASN A 87 -10.883 12.156 -6.417 1.00 60.31 H new ATOM 0 HA ASN A 87 -12.073 10.544 -4.228 1.00 3.33 H new ATOM 0 HB2 ASN A 87 -12.764 13.326 -5.257 1.00 55.42 H new ATOM 0 HB3 ASN A 87 -13.762 12.404 -4.150 1.00 55.42 H new ATOM 0 HD21 ASN A 87 -11.729 13.026 -1.282 1.00 12.14 H new ATOM 0 HD22 ASN A 87 -13.090 12.126 -1.957 1.00 12.14 H new ATOM 1385 N GLU A 88 -12.523 9.973 -7.118 1.00 31.42 N ATOM 1386 CA GLU A 88 -13.281 9.245 -8.134 1.00 52.24 C ATOM 1387 C GLU A 88 -14.026 8.071 -7.482 1.00 44.43 C ATOM 1388 O GLU A 88 -13.631 7.590 -6.414 1.00 20.13 O ATOM 1389 CB GLU A 88 -12.332 8.758 -9.247 1.00 62.34 C ATOM 1390 CG GLU A 88 -12.003 9.868 -10.256 1.00 21.41 C ATOM 1391 CD GLU A 88 -12.578 9.649 -11.654 1.00 35.35 C ATOM 1392 OE1 GLU A 88 -13.797 9.850 -11.856 1.00 61.12 O ATOM 1393 OE2 GLU A 88 -11.765 9.420 -12.584 1.00 21.04 O ATOM 0 H GLU A 88 -11.514 9.939 -7.265 1.00 31.42 H new ATOM 0 HA GLU A 88 -14.019 9.907 -8.586 1.00 52.24 H new ATOM 0 HB2 GLU A 88 -11.408 8.391 -8.800 1.00 62.34 H new ATOM 0 HB3 GLU A 88 -12.789 7.918 -9.770 1.00 62.34 H new ATOM 0 HG2 GLU A 88 -12.377 10.816 -9.868 1.00 21.41 H new ATOM 0 HG3 GLU A 88 -10.920 9.961 -10.334 1.00 21.41 H new ATOM 1400 N PRO A 89 -15.108 7.589 -8.112 1.00 72.32 N ATOM 1401 CA PRO A 89 -15.984 6.604 -7.499 1.00 44.23 C ATOM 1402 C PRO A 89 -15.311 5.251 -7.327 1.00 12.23 C ATOM 1403 O PRO A 89 -15.527 4.588 -6.317 1.00 73.04 O ATOM 1404 CB PRO A 89 -17.192 6.501 -8.424 1.00 12.13 C ATOM 1405 CG PRO A 89 -16.725 7.033 -9.773 1.00 34.35 C ATOM 1406 CD PRO A 89 -15.639 8.031 -9.394 1.00 41.32 C ATOM 0 HA PRO A 89 -16.263 6.912 -6.491 1.00 44.23 H new ATOM 0 HB2 PRO A 89 -17.535 5.470 -8.507 1.00 12.13 H new ATOM 0 HB3 PRO A 89 -18.029 7.085 -8.041 1.00 12.13 H new ATOM 0 HG2 PRO A 89 -16.337 6.237 -10.408 1.00 34.35 H new ATOM 0 HG3 PRO A 89 -17.537 7.510 -10.321 1.00 34.35 H new ATOM 0 HD2 PRO A 89 -14.855 8.059 -10.151 1.00 41.32 H new ATOM 0 HD3 PRO A 89 -16.046 9.039 -9.320 1.00 41.32 H new ATOM 1414 N LYS A 90 -14.551 4.817 -8.328 1.00 75.34 N ATOM 1415 CA LYS A 90 -14.004 3.457 -8.396 1.00 20.43 C ATOM 1416 C LYS A 90 -12.467 3.416 -8.380 1.00 44.43 C ATOM 1417 O LYS A 90 -11.904 2.328 -8.470 1.00 72.44 O ATOM 1418 CB LYS A 90 -14.576 2.742 -9.633 1.00 3.53 C ATOM 1419 CG LYS A 90 -16.113 2.683 -9.751 1.00 12.35 C ATOM 1420 CD LYS A 90 -16.879 1.787 -8.767 1.00 32.34 C ATOM 1421 CE LYS A 90 -17.252 2.389 -7.413 1.00 20.44 C ATOM 1422 NZ LYS A 90 -18.542 1.876 -6.899 1.00 43.11 N ATOM 0 H LYS A 90 -14.293 5.401 -9.124 1.00 75.34 H new ATOM 0 HA LYS A 90 -14.313 2.930 -7.493 1.00 20.43 H new ATOM 0 HB2 LYS A 90 -14.185 3.236 -10.522 1.00 3.53 H new ATOM 0 HB3 LYS A 90 -14.195 1.721 -9.642 1.00 3.53 H new ATOM 0 HG2 LYS A 90 -16.495 3.698 -9.645 1.00 12.35 H new ATOM 0 HG3 LYS A 90 -16.358 2.355 -10.761 1.00 12.35 H new ATOM 0 HD2 LYS A 90 -17.797 1.459 -9.254 1.00 32.34 H new ATOM 0 HD3 LYS A 90 -16.279 0.896 -8.586 1.00 32.34 H new ATOM 0 HE2 LYS A 90 -16.464 2.169 -6.692 1.00 20.44 H new ATOM 0 HE3 LYS A 90 -17.307 3.474 -7.504 1.00 20.44 H new ATOM 0 HZ1 LYS A 90 -18.749 2.315 -5.979 1.00 43.11 H new ATOM 0 HZ2 LYS A 90 -19.301 2.108 -7.572 1.00 43.11 H new ATOM 0 HZ3 LYS A 90 -18.484 0.844 -6.785 1.00 43.11 H new ATOM 1436 N HIS A 91 -11.791 4.561 -8.239 1.00 31.41 N ATOM 1437 CA HIS A 91 -10.341 4.737 -8.329 1.00 21.32 C ATOM 1438 C HIS A 91 -9.965 5.652 -7.160 1.00 72.24 C ATOM 1439 O HIS A 91 -10.217 6.853 -7.236 1.00 24.11 O ATOM 1440 CB HIS A 91 -10.049 5.367 -9.700 1.00 60.21 C ATOM 1441 CG HIS A 91 -8.606 5.538 -10.095 1.00 12.55 C ATOM 1442 ND1 HIS A 91 -8.193 5.851 -11.363 1.00 53.34 N ATOM 1443 CD2 HIS A 91 -7.481 5.390 -9.333 1.00 23.14 C ATOM 1444 CE1 HIS A 91 -6.856 5.867 -11.379 1.00 53.43 C ATOM 1445 NE2 HIS A 91 -6.371 5.627 -10.153 1.00 71.12 N ATOM 0 H HIS A 91 -12.271 5.440 -8.048 1.00 31.41 H new ATOM 0 HA HIS A 91 -9.764 3.815 -8.259 1.00 21.32 H new ATOM 0 HB2 HIS A 91 -10.536 4.757 -10.461 1.00 60.21 H new ATOM 0 HB3 HIS A 91 -10.523 6.348 -9.727 1.00 60.21 H new ATOM 0 HD2 HIS A 91 -7.453 5.135 -8.284 1.00 23.14 H new ATOM 0 HE1 HIS A 91 -6.252 6.048 -12.256 1.00 53.43 H new ATOM 0 HE2 HIS A 91 -5.390 5.619 -9.873 1.00 71.12 H new ATOM 1453 N LYS A 92 -9.458 5.118 -6.042 1.00 3.35 N ATOM 1454 CA LYS A 92 -9.391 5.878 -4.780 1.00 55.04 C ATOM 1455 C LYS A 92 -7.965 6.037 -4.273 1.00 2.03 C ATOM 1456 O LYS A 92 -7.566 5.414 -3.286 1.00 71.32 O ATOM 1457 CB LYS A 92 -10.474 5.408 -3.788 1.00 41.21 C ATOM 1458 CG LYS A 92 -10.597 3.924 -3.391 1.00 14.03 C ATOM 1459 CD LYS A 92 -9.751 3.411 -2.216 1.00 31.51 C ATOM 1460 CE LYS A 92 -9.926 4.192 -0.902 1.00 4.11 C ATOM 1461 NZ LYS A 92 -8.940 5.281 -0.748 1.00 1.11 N ATOM 0 H LYS A 92 -9.089 4.169 -5.982 1.00 3.35 H new ATOM 0 HA LYS A 92 -9.666 6.918 -4.955 1.00 55.04 H new ATOM 0 HB2 LYS A 92 -10.331 5.974 -2.867 1.00 41.21 H new ATOM 0 HB3 LYS A 92 -11.437 5.709 -4.201 1.00 41.21 H new ATOM 0 HG2 LYS A 92 -11.644 3.728 -3.157 1.00 14.03 H new ATOM 0 HG3 LYS A 92 -10.348 3.324 -4.266 1.00 14.03 H new ATOM 0 HD2 LYS A 92 -10.001 2.365 -2.036 1.00 31.51 H new ATOM 0 HD3 LYS A 92 -8.700 3.442 -2.503 1.00 31.51 H new ATOM 0 HE2 LYS A 92 -10.932 4.611 -0.865 1.00 4.11 H new ATOM 0 HE3 LYS A 92 -9.835 3.504 -0.061 1.00 4.11 H new ATOM 0 HZ1 LYS A 92 -8.288 5.052 0.029 1.00 1.11 H new ATOM 0 HZ2 LYS A 92 -8.402 5.389 -1.631 1.00 1.11 H new ATOM 0 HZ3 LYS A 92 -9.435 6.170 -0.533 1.00 1.11 H new ATOM 1475 N ILE A 93 -7.188 6.874 -4.958 1.00 43.24 N ATOM 1476 CA ILE A 93 -5.754 7.063 -4.743 1.00 20.33 C ATOM 1477 C ILE A 93 -5.525 7.668 -3.358 1.00 1.31 C ATOM 1478 O ILE A 93 -6.176 8.648 -2.996 1.00 44.42 O ATOM 1479 CB ILE A 93 -5.162 7.954 -5.862 1.00 11.04 C ATOM 1480 CG1 ILE A 93 -5.556 7.495 -7.285 1.00 3.15 C ATOM 1481 CG2 ILE A 93 -3.625 7.989 -5.746 1.00 35.13 C ATOM 1482 CD1 ILE A 93 -5.197 8.476 -8.395 1.00 43.10 C ATOM 0 H ILE A 93 -7.554 7.462 -5.707 1.00 43.24 H new ATOM 0 HA ILE A 93 -5.242 6.102 -4.784 1.00 20.33 H new ATOM 0 HB ILE A 93 -5.583 8.949 -5.719 1.00 11.04 H new ATOM 0 HG12 ILE A 93 -5.071 6.541 -7.491 1.00 3.15 H new ATOM 0 HG13 ILE A 93 -6.631 7.318 -7.310 1.00 3.15 H new ATOM 0 HG21 ILE A 93 -3.215 8.618 -6.536 1.00 35.13 H new ATOM 0 HG22 ILE A 93 -3.343 8.396 -4.775 1.00 35.13 H new ATOM 0 HG23 ILE A 93 -3.230 6.978 -5.844 1.00 35.13 H new ATOM 0 HD11 ILE A 93 -5.511 8.069 -9.356 1.00 43.10 H new ATOM 0 HD12 ILE A 93 -5.704 9.425 -8.220 1.00 43.10 H new ATOM 0 HD13 ILE A 93 -4.119 8.636 -8.404 1.00 43.10 H new ATOM 1494 N PHE A 94 -4.584 7.107 -2.594 1.00 61.20 N ATOM 1495 CA PHE A 94 -4.096 7.643 -1.330 1.00 72.30 C ATOM 1496 C PHE A 94 -2.571 7.656 -1.357 1.00 44.24 C ATOM 1497 O PHE A 94 -1.939 6.710 -1.836 1.00 71.42 O ATOM 1498 CB PHE A 94 -4.657 6.823 -0.163 1.00 4.33 C ATOM 1499 CG PHE A 94 -4.099 7.230 1.182 1.00 33.45 C ATOM 1500 CD1 PHE A 94 -4.653 8.309 1.896 1.00 5.01 C ATOM 1501 CD2 PHE A 94 -2.994 6.537 1.703 1.00 63.12 C ATOM 1502 CE1 PHE A 94 -4.075 8.710 3.113 1.00 4.45 C ATOM 1503 CE2 PHE A 94 -2.421 6.944 2.915 1.00 50.40 C ATOM 1504 CZ PHE A 94 -2.953 8.034 3.619 1.00 70.22 C ATOM 0 H PHE A 94 -4.126 6.233 -2.853 1.00 61.20 H new ATOM 0 HA PHE A 94 -4.439 8.668 -1.188 1.00 72.30 H new ATOM 0 HB2 PHE A 94 -5.742 6.927 -0.144 1.00 4.33 H new ATOM 0 HB3 PHE A 94 -4.441 5.768 -0.333 1.00 4.33 H new ATOM 0 HD1 PHE A 94 -5.519 8.827 1.510 1.00 5.01 H new ATOM 0 HD2 PHE A 94 -2.586 5.691 1.170 1.00 63.12 H new ATOM 0 HE1 PHE A 94 -4.495 9.541 3.661 1.00 4.45 H new ATOM 0 HE2 PHE A 94 -1.565 6.416 3.309 1.00 50.40 H new ATOM 0 HZ PHE A 94 -2.501 8.352 4.547 1.00 70.22 H new ATOM 1514 N GLU A 95 -1.959 8.739 -0.890 1.00 25.53 N ATOM 1515 CA GLU A 95 -0.510 8.871 -0.806 1.00 61.40 C ATOM 1516 C GLU A 95 -0.138 9.685 0.430 1.00 70.31 C ATOM 1517 O GLU A 95 -0.976 10.387 1.007 1.00 42.34 O ATOM 1518 CB GLU A 95 0.037 9.463 -2.120 1.00 43.24 C ATOM 1519 CG GLU A 95 -0.411 10.878 -2.483 1.00 53.12 C ATOM 1520 CD GLU A 95 0.576 11.995 -2.138 1.00 21.22 C ATOM 1521 OE1 GLU A 95 0.535 12.515 -1.004 1.00 53.20 O ATOM 1522 OE2 GLU A 95 1.302 12.468 -3.049 1.00 31.32 O ATOM 0 H GLU A 95 -2.463 9.560 -0.555 1.00 25.53 H new ATOM 0 HA GLU A 95 -0.042 7.894 -0.688 1.00 61.40 H new ATOM 0 HB2 GLU A 95 1.126 9.455 -2.068 1.00 43.24 H new ATOM 0 HB3 GLU A 95 -0.247 8.798 -2.935 1.00 43.24 H new ATOM 0 HG2 GLU A 95 -0.611 10.913 -3.554 1.00 53.12 H new ATOM 0 HG3 GLU A 95 -1.354 11.082 -1.976 1.00 53.12 H new ATOM 1529 N ALA A 96 1.117 9.554 0.856 1.00 61.33 N ATOM 1530 CA ALA A 96 1.635 10.295 1.994 1.00 44.01 C ATOM 1531 C ALA A 96 3.134 10.545 1.851 1.00 33.41 C ATOM 1532 O ALA A 96 3.894 9.611 1.568 1.00 5.01 O ATOM 1533 CB ALA A 96 1.305 9.520 3.267 1.00 51.12 C ATOM 0 H ALA A 96 1.798 8.932 0.420 1.00 61.33 H new ATOM 0 HA ALA A 96 1.164 11.277 2.043 1.00 44.01 H new ATOM 0 HB1 ALA A 96 1.687 10.062 4.132 1.00 51.12 H new ATOM 0 HB2 ALA A 96 0.224 9.410 3.356 1.00 51.12 H new ATOM 0 HB3 ALA A 96 1.768 8.534 3.223 1.00 51.12 H new ATOM 1539 N GLY A 97 3.558 11.793 2.048 1.00 72.11 N ATOM 1540 CA GLY A 97 4.884 12.289 1.715 1.00 10.41 C ATOM 1541 C GLY A 97 5.084 13.734 2.169 1.00 63.10 C ATOM 1542 O GLY A 97 4.195 14.327 2.776 1.00 25.31 O ATOM 0 H GLY A 97 2.961 12.510 2.460 1.00 72.11 H new ATOM 0 HA2 GLY A 97 5.637 11.654 2.183 1.00 10.41 H new ATOM 0 HA3 GLY A 97 5.036 12.223 0.638 1.00 10.41 H new ATOM 1546 N TYR A 98 6.254 14.303 1.887 1.00 2.22 N ATOM 1547 CA TYR A 98 6.569 15.704 2.152 1.00 61.32 C ATOM 1548 C TYR A 98 6.205 16.557 0.936 1.00 61.43 C ATOM 1549 O TYR A 98 6.469 16.150 -0.197 1.00 5.35 O ATOM 1550 CB TYR A 98 8.072 15.838 2.439 1.00 34.23 C ATOM 1551 CG TYR A 98 8.477 15.774 3.897 1.00 30.31 C ATOM 1552 CD1 TYR A 98 8.047 16.790 4.766 1.00 73.14 C ATOM 1553 CD2 TYR A 98 9.295 14.736 4.387 1.00 45.03 C ATOM 1554 CE1 TYR A 98 8.386 16.757 6.127 1.00 42.00 C ATOM 1555 CE2 TYR A 98 9.655 14.706 5.748 1.00 25.43 C ATOM 1556 CZ TYR A 98 9.194 15.715 6.626 1.00 5.35 C ATOM 1557 OH TYR A 98 9.472 15.670 7.955 1.00 3.31 O ATOM 0 H TYR A 98 7.026 13.792 1.459 1.00 2.22 H new ATOM 0 HA TYR A 98 5.996 16.047 3.014 1.00 61.32 H new ATOM 0 HB2 TYR A 98 8.596 15.048 1.902 1.00 34.23 H new ATOM 0 HB3 TYR A 98 8.417 16.787 2.028 1.00 34.23 H new ATOM 0 HD1 TYR A 98 7.450 17.604 4.383 1.00 73.14 H new ATOM 0 HD2 TYR A 98 9.646 13.964 3.719 1.00 45.03 H new ATOM 0 HE1 TYR A 98 8.028 17.529 6.792 1.00 42.00 H new ATOM 0 HE2 TYR A 98 10.284 13.912 6.122 1.00 25.43 H new ATOM 0 HH TYR A 98 10.039 14.893 8.145 1.00 3.31 H new ATOM 1567 N GLU A 99 5.751 17.795 1.153 1.00 50.30 N ATOM 1568 CA GLU A 99 5.358 18.750 0.106 1.00 30.34 C ATOM 1569 C GLU A 99 6.584 19.249 -0.685 1.00 70.21 C ATOM 1570 O GLU A 99 6.466 20.004 -1.654 1.00 10.45 O ATOM 1571 CB GLU A 99 4.586 19.924 0.753 1.00 51.12 C ATOM 1572 CG GLU A 99 3.425 20.435 -0.107 1.00 71.10 C ATOM 1573 CD GLU A 99 2.844 21.775 0.369 1.00 10.42 C ATOM 1574 OE1 GLU A 99 2.126 21.826 1.398 1.00 34.55 O ATOM 1575 OE2 GLU A 99 3.001 22.777 -0.371 1.00 42.40 O ATOM 0 H GLU A 99 5.642 18.175 2.093 1.00 50.30 H new ATOM 0 HA GLU A 99 4.706 18.248 -0.609 1.00 30.34 H new ATOM 0 HB2 GLU A 99 4.199 19.605 1.721 1.00 51.12 H new ATOM 0 HB3 GLU A 99 5.278 20.745 0.941 1.00 51.12 H new ATOM 0 HG2 GLU A 99 3.768 20.543 -1.136 1.00 71.10 H new ATOM 0 HG3 GLU A 99 2.632 19.687 -0.112 1.00 71.10 H new ATOM 1582 N GLU A 100 7.781 18.848 -0.249 1.00 4.32 N ATOM 1583 CA GLU A 100 9.083 19.317 -0.705 1.00 72.54 C ATOM 1584 C GLU A 100 10.050 18.135 -0.916 1.00 13.13 C ATOM 1585 O GLU A 100 11.229 18.356 -1.182 1.00 70.14 O ATOM 1586 CB GLU A 100 9.651 20.318 0.322 1.00 50.30 C ATOM 1587 CG GLU A 100 8.708 21.491 0.652 1.00 61.14 C ATOM 1588 CD GLU A 100 9.342 22.525 1.585 1.00 22.34 C ATOM 1589 OE1 GLU A 100 9.893 22.148 2.640 1.00 1.02 O ATOM 1590 OE2 GLU A 100 9.245 23.743 1.291 1.00 42.13 O ATOM 0 H GLU A 100 7.867 18.140 0.480 1.00 4.32 H new ATOM 0 HA GLU A 100 8.967 19.819 -1.666 1.00 72.54 H new ATOM 0 HB2 GLU A 100 9.883 19.783 1.243 1.00 50.30 H new ATOM 0 HB3 GLU A 100 10.590 20.718 -0.059 1.00 50.30 H new ATOM 0 HG2 GLU A 100 8.409 21.981 -0.275 1.00 61.14 H new ATOM 0 HG3 GLU A 100 7.801 21.101 1.114 1.00 61.14 H new ATOM 1597 N SER A 101 9.584 16.889 -0.783 1.00 23.52 N ATOM 1598 CA SER A 101 10.390 15.670 -0.825 1.00 32.11 C ATOM 1599 C SER A 101 9.583 14.575 -1.544 1.00 14.22 C ATOM 1600 O SER A 101 8.774 14.903 -2.419 1.00 13.01 O ATOM 1601 CB SER A 101 10.851 15.313 0.601 1.00 65.11 C ATOM 1602 OG SER A 101 12.245 15.129 0.665 1.00 41.01 O ATOM 0 H SER A 101 8.593 16.697 -0.637 1.00 23.52 H new ATOM 0 HA SER A 101 11.307 15.799 -1.400 1.00 32.11 H new ATOM 0 HB2 SER A 101 10.556 16.106 1.288 1.00 65.11 H new ATOM 0 HB3 SER A 101 10.348 14.403 0.929 1.00 65.11 H new ATOM 0 HG SER A 101 12.504 14.906 1.583 1.00 41.01 H new ATOM 1608 N GLU A 102 9.843 13.292 -1.278 1.00 34.43 N ATOM 1609 CA GLU A 102 9.068 12.191 -1.847 1.00 30.35 C ATOM 1610 C GLU A 102 7.957 11.676 -0.915 1.00 54.34 C ATOM 1611 O GLU A 102 7.799 12.119 0.232 1.00 62.50 O ATOM 1612 CB GLU A 102 9.966 11.130 -2.502 1.00 50.14 C ATOM 1613 CG GLU A 102 10.528 10.133 -1.500 1.00 63.31 C ATOM 1614 CD GLU A 102 10.792 8.728 -2.075 1.00 43.41 C ATOM 1615 OE1 GLU A 102 10.671 8.510 -3.312 1.00 63.32 O ATOM 1616 OE2 GLU A 102 11.119 7.828 -1.274 1.00 14.23 O ATOM 0 H GLU A 102 10.597 12.989 -0.662 1.00 34.43 H new ATOM 0 HA GLU A 102 8.492 12.590 -2.682 1.00 30.35 H new ATOM 0 HB2 GLU A 102 9.394 10.594 -3.259 1.00 50.14 H new ATOM 0 HB3 GLU A 102 10.790 11.625 -3.016 1.00 50.14 H new ATOM 0 HG2 GLU A 102 11.461 10.528 -1.098 1.00 63.31 H new ATOM 0 HG3 GLU A 102 9.833 10.045 -0.665 1.00 63.31 H new ATOM 1623 N VAL A 103 7.203 10.705 -1.430 1.00 62.24 N ATOM 1624 CA VAL A 103 6.268 9.865 -0.705 1.00 14.24 C ATOM 1625 C VAL A 103 6.981 8.654 -0.113 1.00 73.50 C ATOM 1626 O VAL A 103 7.910 8.114 -0.703 1.00 45.44 O ATOM 1627 CB VAL A 103 5.128 9.418 -1.642 1.00 64.34 C ATOM 1628 CG1 VAL A 103 4.098 10.535 -1.759 1.00 72.11 C ATOM 1629 CG2 VAL A 103 5.592 9.039 -3.059 1.00 73.10 C ATOM 0 H VAL A 103 7.235 10.476 -2.423 1.00 62.24 H new ATOM 0 HA VAL A 103 5.843 10.442 0.116 1.00 14.24 H new ATOM 0 HB VAL A 103 4.706 8.520 -1.191 1.00 64.34 H new ATOM 0 HG11 VAL A 103 3.292 10.219 -2.421 1.00 72.11 H new ATOM 0 HG12 VAL A 103 3.691 10.759 -0.773 1.00 72.11 H new ATOM 0 HG13 VAL A 103 4.574 11.427 -2.166 1.00 72.11 H new ATOM 0 HG21 VAL A 103 4.731 8.736 -3.655 1.00 73.10 H new ATOM 0 HG22 VAL A 103 6.073 9.898 -3.526 1.00 73.10 H new ATOM 0 HG23 VAL A 103 6.301 8.214 -3.001 1.00 73.10 H new ATOM 1639 N ASP A 104 6.478 8.189 1.026 1.00 41.32 N ATOM 1640 CA ASP A 104 6.951 7.000 1.741 1.00 65.14 C ATOM 1641 C ASP A 104 5.876 5.913 1.739 1.00 22.55 C ATOM 1642 O ASP A 104 6.066 4.814 2.264 1.00 74.22 O ATOM 1643 CB ASP A 104 7.339 7.439 3.152 1.00 51.04 C ATOM 1644 CG ASP A 104 8.075 6.378 3.977 1.00 62.44 C ATOM 1645 OD1 ASP A 104 9.166 5.935 3.552 1.00 2.11 O ATOM 1646 OD2 ASP A 104 7.607 6.066 5.101 1.00 10.15 O ATOM 0 H ASP A 104 5.698 8.646 1.498 1.00 41.32 H new ATOM 0 HA ASP A 104 7.821 6.563 1.251 1.00 65.14 H new ATOM 0 HB2 ASP A 104 7.970 8.325 3.081 1.00 51.04 H new ATOM 0 HB3 ASP A 104 6.436 7.733 3.687 1.00 51.04 H new ATOM 1651 N LEU A 105 4.726 6.219 1.131 1.00 31.15 N ATOM 1652 CA LEU A 105 3.573 5.342 0.964 1.00 33.24 C ATOM 1653 C LEU A 105 2.744 5.796 -0.243 1.00 50.31 C ATOM 1654 O LEU A 105 2.327 6.959 -0.299 1.00 23.43 O ATOM 1655 CB LEU A 105 2.740 5.350 2.267 1.00 52.23 C ATOM 1656 CG LEU A 105 1.513 4.415 2.291 1.00 25.22 C ATOM 1657 CD1 LEU A 105 0.295 5.013 1.573 1.00 51.13 C ATOM 1658 CD2 LEU A 105 1.907 2.997 1.877 1.00 71.34 C ATOM 0 H LEU A 105 4.570 7.139 0.720 1.00 31.15 H new ATOM 0 HA LEU A 105 3.900 4.320 0.772 1.00 33.24 H new ATOM 0 HB2 LEU A 105 3.395 5.079 3.095 1.00 52.23 H new ATOM 0 HB3 LEU A 105 2.399 6.369 2.451 1.00 52.23 H new ATOM 0 HG LEU A 105 1.159 4.322 3.318 1.00 25.22 H new ATOM 0 HD11 LEU A 105 -0.537 4.311 1.622 1.00 51.13 H new ATOM 0 HD12 LEU A 105 0.010 5.948 2.056 1.00 51.13 H new ATOM 0 HD13 LEU A 105 0.546 5.206 0.530 1.00 51.13 H new ATOM 0 HD21 LEU A 105 1.028 2.353 1.901 1.00 71.34 H new ATOM 0 HD22 LEU A 105 2.318 3.014 0.867 1.00 71.34 H new ATOM 0 HD23 LEU A 105 2.657 2.612 2.567 1.00 71.34 H new ATOM 1670 N ARG A 106 2.452 4.885 -1.185 1.00 72.21 N ATOM 1671 CA ARG A 106 1.374 5.022 -2.182 1.00 32.53 C ATOM 1672 C ARG A 106 0.625 3.678 -2.224 1.00 5.43 C ATOM 1673 O ARG A 106 1.249 2.652 -2.495 1.00 61.30 O ATOM 1674 CB ARG A 106 1.884 5.409 -3.599 1.00 63.52 C ATOM 1675 CG ARG A 106 2.799 6.653 -3.716 1.00 20.23 C ATOM 1676 CD ARG A 106 2.222 7.820 -4.551 1.00 15.05 C ATOM 1677 NE ARG A 106 2.891 8.007 -5.856 1.00 3.31 N ATOM 1678 CZ ARG A 106 2.518 8.876 -6.813 1.00 23.24 C ATOM 1679 NH1 ARG A 106 1.504 9.720 -6.603 1.00 73.43 N ATOM 1680 NH2 ARG A 106 3.145 8.905 -7.982 1.00 75.42 N ATOM 0 H ARG A 106 2.970 4.011 -1.278 1.00 72.21 H new ATOM 0 HA ARG A 106 0.720 5.841 -1.882 1.00 32.53 H new ATOM 0 HB2 ARG A 106 2.425 4.555 -4.007 1.00 63.52 H new ATOM 0 HB3 ARG A 106 1.015 5.570 -4.237 1.00 63.52 H new ATOM 0 HG2 ARG A 106 3.018 7.019 -2.713 1.00 20.23 H new ATOM 0 HG3 ARG A 106 3.747 6.346 -4.157 1.00 20.23 H new ATOM 0 HD2 ARG A 106 1.160 7.643 -4.720 1.00 15.05 H new ATOM 0 HD3 ARG A 106 2.304 8.742 -3.975 1.00 15.05 H new ATOM 0 HE ARG A 106 3.707 7.426 -6.048 1.00 3.31 H new ATOM 0 HH11 ARG A 106 1.007 9.708 -5.712 1.00 73.43 H new ATOM 0 HH12 ARG A 106 1.227 10.376 -7.333 1.00 73.43 H new ATOM 0 HH21 ARG A 106 3.918 8.264 -8.162 1.00 75.42 H new ATOM 0 HH22 ARG A 106 2.854 9.568 -8.701 1.00 75.42 H new ATOM 1694 N VAL A 107 -0.683 3.687 -1.946 1.00 4.45 N ATOM 1695 CA VAL A 107 -1.589 2.533 -2.021 1.00 11.01 C ATOM 1696 C VAL A 107 -2.935 3.019 -2.570 1.00 32.11 C ATOM 1697 O VAL A 107 -3.399 4.122 -2.255 1.00 44.34 O ATOM 1698 CB VAL A 107 -1.815 1.836 -0.653 1.00 62.21 C ATOM 1699 CG1 VAL A 107 -2.349 0.409 -0.860 1.00 51.12 C ATOM 1700 CG2 VAL A 107 -0.581 1.747 0.250 1.00 3.44 C ATOM 0 H VAL A 107 -1.162 4.537 -1.649 1.00 4.45 H new ATOM 0 HA VAL A 107 -1.127 1.791 -2.673 1.00 11.01 H new ATOM 0 HB VAL A 107 -2.535 2.477 -0.144 1.00 62.21 H new ATOM 0 HG11 VAL A 107 -2.502 -0.066 0.109 1.00 51.12 H new ATOM 0 HG12 VAL A 107 -3.296 0.449 -1.398 1.00 51.12 H new ATOM 0 HG13 VAL A 107 -1.628 -0.169 -1.438 1.00 51.12 H new ATOM 0 HG21 VAL A 107 -0.846 1.243 1.180 1.00 3.44 H new ATOM 0 HG22 VAL A 107 0.202 1.183 -0.258 1.00 3.44 H new ATOM 0 HG23 VAL A 107 -0.219 2.751 0.472 1.00 3.44 H new ATOM 1710 N GLU A 108 -3.578 2.219 -3.404 1.00 75.44 N ATOM 1711 CA GLU A 108 -4.826 2.497 -4.085 1.00 71.44 C ATOM 1712 C GLU A 108 -5.595 1.177 -4.242 1.00 3.15 C ATOM 1713 O GLU A 108 -5.084 0.104 -3.903 1.00 35.11 O ATOM 1714 CB GLU A 108 -4.478 3.197 -5.408 1.00 52.31 C ATOM 1715 CG GLU A 108 -5.661 3.900 -6.061 1.00 60.54 C ATOM 1716 CD GLU A 108 -6.319 3.140 -7.190 1.00 62.20 C ATOM 1717 OE1 GLU A 108 -5.615 2.847 -8.188 1.00 34.44 O ATOM 1718 OE2 GLU A 108 -7.543 2.936 -7.052 1.00 60.03 O ATOM 0 H GLU A 108 -3.214 1.295 -3.637 1.00 75.44 H new ATOM 0 HA GLU A 108 -5.485 3.166 -3.532 1.00 71.44 H new ATOM 0 HB2 GLU A 108 -3.689 3.927 -5.226 1.00 52.31 H new ATOM 0 HB3 GLU A 108 -4.076 2.460 -6.103 1.00 52.31 H new ATOM 0 HG2 GLU A 108 -6.410 4.102 -5.296 1.00 60.54 H new ATOM 0 HG3 GLU A 108 -5.325 4.865 -6.441 1.00 60.54 H new ATOM 1725 N PHE A 109 -6.856 1.242 -4.672 1.00 22.41 N ATOM 1726 CA PHE A 109 -7.688 0.066 -4.841 1.00 0.21 C ATOM 1727 C PHE A 109 -8.675 0.395 -5.953 1.00 74.22 C ATOM 1728 O PHE A 109 -9.627 1.142 -5.715 1.00 34.33 O ATOM 1729 CB PHE A 109 -8.481 -0.266 -3.564 1.00 52.10 C ATOM 1730 CG PHE A 109 -7.712 -0.480 -2.275 1.00 4.32 C ATOM 1731 CD1 PHE A 109 -7.309 0.621 -1.493 1.00 63.42 C ATOM 1732 CD2 PHE A 109 -7.492 -1.783 -1.797 1.00 14.23 C ATOM 1733 CE1 PHE A 109 -6.696 0.425 -0.244 1.00 72.44 C ATOM 1734 CE2 PHE A 109 -6.892 -1.979 -0.539 1.00 61.33 C ATOM 1735 CZ PHE A 109 -6.493 -0.878 0.236 1.00 25.52 C ATOM 0 H PHE A 109 -7.323 2.117 -4.911 1.00 22.41 H new ATOM 0 HA PHE A 109 -7.061 -0.796 -5.070 1.00 0.21 H new ATOM 0 HB2 PHE A 109 -9.193 0.542 -3.396 1.00 52.10 H new ATOM 0 HB3 PHE A 109 -9.062 -1.168 -3.758 1.00 52.10 H new ATOM 0 HD1 PHE A 109 -7.473 1.624 -1.857 1.00 63.42 H new ATOM 0 HD2 PHE A 109 -7.783 -2.634 -2.395 1.00 14.23 H new ATOM 0 HE1 PHE A 109 -6.382 1.274 0.345 1.00 72.44 H new ATOM 0 HE2 PHE A 109 -6.738 -2.981 -0.168 1.00 61.33 H new ATOM 0 HZ PHE A 109 -6.031 -1.034 1.200 1.00 25.52 H new ATOM 1745 N GLU A 110 -8.479 -0.164 -7.140 1.00 52.31 N ATOM 1746 CA GLU A 110 -9.441 0.006 -8.216 1.00 52.11 C ATOM 1747 C GLU A 110 -10.538 -1.040 -8.049 1.00 55.54 C ATOM 1748 O GLU A 110 -10.244 -2.233 -7.859 1.00 15.32 O ATOM 1749 CB GLU A 110 -8.791 -0.130 -9.590 1.00 55.32 C ATOM 1750 CG GLU A 110 -8.240 1.174 -10.164 1.00 35.41 C ATOM 1751 CD GLU A 110 -7.660 0.984 -11.570 1.00 3.11 C ATOM 1752 OE1 GLU A 110 -7.307 -0.166 -11.945 1.00 51.33 O ATOM 1753 OE2 GLU A 110 -7.625 1.941 -12.378 1.00 15.11 O ATOM 0 H GLU A 110 -7.668 -0.735 -7.379 1.00 52.31 H new ATOM 0 HA GLU A 110 -9.857 1.012 -8.159 1.00 52.11 H new ATOM 0 HB2 GLU A 110 -7.979 -0.854 -9.523 1.00 55.32 H new ATOM 0 HB3 GLU A 110 -9.525 -0.537 -10.286 1.00 55.32 H new ATOM 0 HG2 GLU A 110 -9.035 1.919 -10.198 1.00 35.41 H new ATOM 0 HG3 GLU A 110 -7.466 1.563 -9.502 1.00 35.41 H new ATOM 1760 N LEU A 111 -11.794 -0.595 -8.153 1.00 32.41 N ATOM 1761 CA LEU A 111 -12.934 -1.504 -8.211 1.00 52.53 C ATOM 1762 C LEU A 111 -12.967 -2.145 -9.579 1.00 54.54 C ATOM 1763 O LEU A 111 -13.143 -1.470 -10.594 1.00 23.04 O ATOM 1764 CB LEU A 111 -14.262 -0.808 -7.941 1.00 40.52 C ATOM 1765 CG LEU A 111 -15.477 -1.736 -7.718 1.00 15.55 C ATOM 1766 CD1 LEU A 111 -16.403 -1.915 -8.918 1.00 41.31 C ATOM 1767 CD2 LEU A 111 -15.195 -3.089 -7.095 1.00 31.04 C ATOM 0 H LEU A 111 -12.043 0.393 -8.199 1.00 32.41 H new ATOM 0 HA LEU A 111 -12.806 -2.251 -7.427 1.00 52.53 H new ATOM 0 HB2 LEU A 111 -14.146 -0.175 -7.061 1.00 40.52 H new ATOM 0 HB3 LEU A 111 -14.482 -0.149 -8.781 1.00 40.52 H new ATOM 0 HG LEU A 111 -16.004 -1.146 -6.969 1.00 15.55 H new ATOM 0 HD11 LEU A 111 -17.220 -2.585 -8.650 1.00 41.31 H new ATOM 0 HD12 LEU A 111 -16.809 -0.947 -9.212 1.00 41.31 H new ATOM 0 HD13 LEU A 111 -15.842 -2.341 -9.750 1.00 41.31 H new ATOM 0 HD21 LEU A 111 -16.128 -3.644 -6.992 1.00 31.04 H new ATOM 0 HD22 LEU A 111 -14.510 -3.647 -7.733 1.00 31.04 H new ATOM 0 HD23 LEU A 111 -14.745 -2.950 -6.112 1.00 31.04 H new ATOM 1779 N GLN A 112 -12.804 -3.455 -9.602 1.00 75.31 N ATOM 1780 CA GLN A 112 -12.810 -4.201 -10.845 1.00 2.23 C ATOM 1781 C GLN A 112 -14.248 -4.493 -11.239 1.00 35.14 C ATOM 1782 O GLN A 112 -15.115 -4.610 -10.375 1.00 40.43 O ATOM 1783 CB GLN A 112 -11.994 -5.488 -10.686 1.00 60.04 C ATOM 1784 CG GLN A 112 -10.535 -5.182 -10.306 1.00 12.44 C ATOM 1785 CD GLN A 112 -9.865 -4.231 -11.283 1.00 55.14 C ATOM 1786 OE1 GLN A 112 -9.880 -4.452 -12.489 1.00 62.31 O ATOM 1787 NE2 GLN A 112 -9.263 -3.163 -10.800 1.00 60.13 N ATOM 0 H GLN A 112 -12.665 -4.026 -8.768 1.00 75.31 H new ATOM 0 HA GLN A 112 -12.346 -3.615 -11.639 1.00 2.23 H new ATOM 0 HB2 GLN A 112 -12.448 -6.116 -9.919 1.00 60.04 H new ATOM 0 HB3 GLN A 112 -12.018 -6.054 -11.617 1.00 60.04 H new ATOM 0 HG2 GLN A 112 -10.507 -4.749 -9.306 1.00 12.44 H new ATOM 0 HG3 GLN A 112 -9.971 -6.114 -10.266 1.00 12.44 H new ATOM 0 HE21 GLN A 112 -9.258 -2.991 -9.795 1.00 60.13 H new ATOM 0 HE22 GLN A 112 -8.802 -2.508 -11.432 1.00 60.13 H new ATOM 1796 N ALA A 113 -14.478 -4.696 -12.534 1.00 72.24 N ATOM 1797 CA ALA A 113 -15.776 -5.025 -13.112 1.00 20.02 C ATOM 1798 C ALA A 113 -16.374 -6.304 -12.500 1.00 60.22 C ATOM 1799 O ALA A 113 -17.590 -6.455 -12.430 1.00 21.11 O ATOM 1800 CB ALA A 113 -15.572 -5.145 -14.620 1.00 71.10 C ATOM 0 H ALA A 113 -13.738 -4.633 -13.234 1.00 72.24 H new ATOM 0 HA ALA A 113 -16.502 -4.243 -12.890 1.00 20.02 H new ATOM 0 HB1 ALA A 113 -16.521 -5.391 -15.097 1.00 71.10 H new ATOM 0 HB2 ALA A 113 -15.203 -4.198 -15.014 1.00 71.10 H new ATOM 0 HB3 ALA A 113 -14.847 -5.932 -14.828 1.00 71.10 H new ATOM 1806 N ASP A 114 -15.529 -7.175 -11.941 1.00 44.12 N ATOM 1807 CA ASP A 114 -15.911 -8.317 -11.104 1.00 41.52 C ATOM 1808 C ASP A 114 -16.778 -7.900 -9.897 1.00 55.41 C ATOM 1809 O ASP A 114 -17.424 -8.735 -9.272 1.00 13.23 O ATOM 1810 CB ASP A 114 -14.602 -8.993 -10.655 1.00 63.03 C ATOM 1811 CG ASP A 114 -14.740 -10.301 -9.861 1.00 51.33 C ATOM 1812 OD1 ASP A 114 -15.747 -11.038 -10.006 1.00 63.11 O ATOM 1813 OD2 ASP A 114 -13.758 -10.625 -9.143 1.00 72.14 O ATOM 0 H ASP A 114 -14.519 -7.101 -12.064 1.00 44.12 H new ATOM 0 HA ASP A 114 -16.533 -9.008 -11.674 1.00 41.52 H new ATOM 0 HB2 ASP A 114 -14.001 -9.195 -11.542 1.00 63.03 H new ATOM 0 HB3 ASP A 114 -14.043 -8.282 -10.046 1.00 63.03 H new ATOM 1818 N GLY A 115 -16.858 -6.611 -9.549 1.00 11.54 N ATOM 1819 CA GLY A 115 -17.576 -6.102 -8.390 1.00 15.14 C ATOM 1820 C GLY A 115 -16.697 -6.127 -7.143 1.00 74.34 C ATOM 1821 O GLY A 115 -17.147 -5.766 -6.062 1.00 54.24 O ATOM 0 H GLY A 115 -16.407 -5.873 -10.090 1.00 11.54 H new ATOM 0 HA2 GLY A 115 -17.908 -5.082 -8.584 1.00 15.14 H new ATOM 0 HA3 GLY A 115 -18.470 -6.702 -8.220 1.00 15.14 H new ATOM 1825 N LYS A 116 -15.434 -6.533 -7.275 1.00 40.43 N ATOM 1826 CA LYS A 116 -14.488 -6.709 -6.191 1.00 14.21 C ATOM 1827 C LYS A 116 -13.363 -5.696 -6.350 1.00 64.34 C ATOM 1828 O LYS A 116 -12.912 -5.436 -7.462 1.00 55.12 O ATOM 1829 CB LYS A 116 -13.981 -8.163 -6.249 1.00 0.54 C ATOM 1830 CG LYS A 116 -14.348 -8.914 -4.977 1.00 53.41 C ATOM 1831 CD LYS A 116 -13.318 -8.610 -3.893 1.00 1.13 C ATOM 1832 CE LYS A 116 -13.780 -9.225 -2.584 1.00 52.33 C ATOM 1833 NZ LYS A 116 -12.690 -9.261 -1.604 1.00 1.25 N ATOM 0 H LYS A 116 -15.032 -6.756 -8.185 1.00 40.43 H new ATOM 0 HA LYS A 116 -14.943 -6.537 -5.216 1.00 14.21 H new ATOM 0 HB2 LYS A 116 -14.412 -8.669 -7.113 1.00 0.54 H new ATOM 0 HB3 LYS A 116 -12.899 -8.171 -6.382 1.00 0.54 H new ATOM 0 HG2 LYS A 116 -15.342 -8.619 -4.642 1.00 53.41 H new ATOM 0 HG3 LYS A 116 -14.382 -9.986 -5.171 1.00 53.41 H new ATOM 0 HD2 LYS A 116 -12.345 -9.012 -4.175 1.00 1.13 H new ATOM 0 HD3 LYS A 116 -13.197 -7.533 -3.781 1.00 1.13 H new ATOM 0 HE2 LYS A 116 -14.615 -8.650 -2.183 1.00 52.33 H new ATOM 0 HE3 LYS A 116 -14.146 -10.236 -2.763 1.00 52.33 H new ATOM 0 HZ1 LYS A 116 -13.033 -9.686 -0.719 1.00 1.25 H new ATOM 0 HZ2 LYS A 116 -11.904 -9.830 -1.979 1.00 1.25 H new ATOM 0 HZ3 LYS A 116 -12.359 -8.293 -1.418 1.00 1.25 H new ATOM 1847 N TRP A 117 -12.903 -5.121 -5.243 1.00 1.33 N ATOM 1848 CA TRP A 117 -11.795 -4.170 -5.222 1.00 24.22 C ATOM 1849 C TRP A 117 -10.477 -4.930 -5.175 1.00 54.24 C ATOM 1850 O TRP A 117 -10.384 -5.923 -4.443 1.00 35.12 O ATOM 1851 CB TRP A 117 -11.931 -3.252 -4.002 1.00 60.50 C ATOM 1852 CG TRP A 117 -13.188 -2.441 -3.986 1.00 43.13 C ATOM 1853 CD1 TRP A 117 -14.413 -2.887 -3.631 1.00 53.20 C ATOM 1854 CD2 TRP A 117 -13.370 -1.040 -4.352 1.00 24.25 C ATOM 1855 NE1 TRP A 117 -15.338 -1.883 -3.813 1.00 21.54 N ATOM 1856 CE2 TRP A 117 -14.755 -0.723 -4.259 1.00 61.53 C ATOM 1857 CE3 TRP A 117 -12.506 -0.009 -4.767 1.00 13.01 C ATOM 1858 CZ2 TRP A 117 -15.267 0.532 -4.609 1.00 14.13 C ATOM 1859 CZ3 TRP A 117 -12.996 1.272 -5.082 1.00 61.11 C ATOM 1860 CH2 TRP A 117 -14.374 1.540 -5.008 1.00 74.33 C ATOM 0 H TRP A 117 -13.296 -5.305 -4.320 1.00 1.33 H new ATOM 0 HA TRP A 117 -11.815 -3.558 -6.124 1.00 24.22 H new ATOM 0 HB2 TRP A 117 -11.891 -3.859 -3.098 1.00 60.50 H new ATOM 0 HB3 TRP A 117 -11.075 -2.577 -3.971 1.00 60.50 H new ATOM 0 HD1 TRP A 117 -14.633 -3.878 -3.262 1.00 53.20 H new ATOM 0 HE1 TRP A 117 -16.337 -1.989 -3.637 1.00 21.54 H new ATOM 0 HE3 TRP A 117 -11.447 -0.205 -4.845 1.00 13.01 H new ATOM 0 HZ2 TRP A 117 -16.330 0.722 -4.573 1.00 14.13 H new ATOM 0 HZ3 TRP A 117 -12.311 2.052 -5.382 1.00 61.11 H new ATOM 0 HH2 TRP A 117 -14.747 2.522 -5.258 1.00 74.33 H new ATOM 1871 N TYR A 118 -9.467 -4.454 -5.903 1.00 11.35 N ATOM 1872 CA TYR A 118 -8.144 -5.059 -5.978 1.00 60.43 C ATOM 1873 C TYR A 118 -7.102 -3.945 -5.825 1.00 13.22 C ATOM 1874 O TYR A 118 -7.246 -2.887 -6.436 1.00 24.13 O ATOM 1875 CB TYR A 118 -7.979 -5.804 -7.316 1.00 40.54 C ATOM 1876 CG TYR A 118 -8.737 -7.118 -7.462 1.00 35.24 C ATOM 1877 CD1 TYR A 118 -10.115 -7.091 -7.724 1.00 35.32 C ATOM 1878 CD2 TYR A 118 -8.078 -8.364 -7.433 1.00 44.24 C ATOM 1879 CE1 TYR A 118 -10.829 -8.260 -8.020 1.00 42.52 C ATOM 1880 CE2 TYR A 118 -8.805 -9.557 -7.636 1.00 60.30 C ATOM 1881 CZ TYR A 118 -10.189 -9.509 -7.947 1.00 42.22 C ATOM 1882 OH TYR A 118 -10.902 -10.647 -8.197 1.00 11.23 O ATOM 0 H TYR A 118 -9.553 -3.612 -6.472 1.00 11.35 H new ATOM 0 HA TYR A 118 -8.009 -5.790 -5.181 1.00 60.43 H new ATOM 0 HB2 TYR A 118 -8.295 -5.137 -8.119 1.00 40.54 H new ATOM 0 HB3 TYR A 118 -6.918 -6.004 -7.466 1.00 40.54 H new ATOM 0 HD1 TYR A 118 -10.638 -6.147 -7.697 1.00 35.32 H new ATOM 0 HD2 TYR A 118 -7.014 -8.406 -7.255 1.00 44.24 H new ATOM 0 HE1 TYR A 118 -11.869 -8.201 -8.304 1.00 42.52 H new ATOM 0 HE2 TYR A 118 -8.306 -10.511 -7.554 1.00 60.30 H new ATOM 0 HH TYR A 118 -11.806 -10.409 -8.492 1.00 11.23 H new ATOM 1892 N VAL A 119 -6.080 -4.163 -4.994 1.00 13.34 N ATOM 1893 CA VAL A 119 -4.927 -3.274 -4.848 1.00 71.51 C ATOM 1894 C VAL A 119 -4.112 -3.309 -6.141 1.00 1.14 C ATOM 1895 O VAL A 119 -4.053 -4.344 -6.813 1.00 31.05 O ATOM 1896 CB VAL A 119 -4.045 -3.706 -3.654 1.00 74.13 C ATOM 1897 CG1 VAL A 119 -2.841 -2.764 -3.479 1.00 23.51 C ATOM 1898 CG2 VAL A 119 -4.804 -3.724 -2.329 1.00 41.01 C ATOM 0 H VAL A 119 -6.031 -4.983 -4.390 1.00 13.34 H new ATOM 0 HA VAL A 119 -5.279 -2.260 -4.655 1.00 71.51 H new ATOM 0 HB VAL A 119 -3.717 -4.717 -3.894 1.00 74.13 H new ATOM 0 HG11 VAL A 119 -2.241 -3.095 -2.631 1.00 23.51 H new ATOM 0 HG12 VAL A 119 -2.232 -2.780 -4.383 1.00 23.51 H new ATOM 0 HG13 VAL A 119 -3.196 -1.749 -3.298 1.00 23.51 H new ATOM 0 HG21 VAL A 119 -4.132 -4.035 -1.529 1.00 41.01 H new ATOM 0 HG22 VAL A 119 -5.186 -2.726 -2.115 1.00 41.01 H new ATOM 0 HG23 VAL A 119 -5.637 -4.424 -2.396 1.00 41.01 H new ATOM 1908 N VAL A 120 -3.433 -2.209 -6.457 1.00 55.41 N ATOM 1909 CA VAL A 120 -2.728 -1.994 -7.719 1.00 12.13 C ATOM 1910 C VAL A 120 -1.323 -1.420 -7.474 1.00 31.15 C ATOM 1911 O VAL A 120 -0.580 -1.139 -8.412 1.00 64.02 O ATOM 1912 CB VAL A 120 -3.633 -1.140 -8.639 1.00 15.25 C ATOM 1913 CG1 VAL A 120 -4.839 -1.945 -9.147 1.00 3.41 C ATOM 1914 CG2 VAL A 120 -4.200 0.102 -7.953 1.00 55.11 C ATOM 0 H VAL A 120 -3.356 -1.416 -5.820 1.00 55.41 H new ATOM 0 HA VAL A 120 -2.543 -2.935 -8.237 1.00 12.13 H new ATOM 0 HB VAL A 120 -2.978 -0.838 -9.456 1.00 15.25 H new ATOM 0 HG11 VAL A 120 -5.453 -1.314 -9.790 1.00 3.41 H new ATOM 0 HG12 VAL A 120 -4.488 -2.808 -9.713 1.00 3.41 H new ATOM 0 HG13 VAL A 120 -5.433 -2.285 -8.299 1.00 3.41 H new ATOM 0 HG21 VAL A 120 -4.824 0.653 -8.656 1.00 55.11 H new ATOM 0 HG22 VAL A 120 -4.800 -0.199 -7.094 1.00 55.11 H new ATOM 0 HG23 VAL A 120 -3.381 0.739 -7.619 1.00 55.11 H new ATOM 1924 N ASP A 121 -0.921 -1.318 -6.206 1.00 20.23 N ATOM 1925 CA ASP A 121 0.222 -0.532 -5.751 1.00 4.23 C ATOM 1926 C ASP A 121 0.681 -1.067 -4.400 1.00 14.43 C ATOM 1927 O ASP A 121 -0.119 -1.239 -3.484 1.00 35.22 O ATOM 1928 CB ASP A 121 -0.048 1.000 -5.596 1.00 43.11 C ATOM 1929 CG ASP A 121 -1.443 1.470 -5.948 1.00 12.32 C ATOM 1930 OD1 ASP A 121 -2.392 0.851 -5.414 1.00 53.24 O ATOM 1931 OD2 ASP A 121 -1.565 2.420 -6.752 1.00 71.00 O ATOM 0 H ASP A 121 -1.400 -1.797 -5.444 1.00 20.23 H new ATOM 0 HA ASP A 121 0.978 -0.636 -6.529 1.00 4.23 H new ATOM 0 HB2 ASP A 121 0.158 1.282 -4.564 1.00 43.11 H new ATOM 0 HB3 ASP A 121 0.663 1.539 -6.222 1.00 43.11 H new ATOM 1936 N CYS A 122 1.986 -1.289 -4.261 1.00 13.11 N ATOM 1937 CA CYS A 122 2.653 -1.635 -3.000 1.00 22.12 C ATOM 1938 C CYS A 122 3.832 -0.699 -2.677 1.00 64.23 C ATOM 1939 O CYS A 122 4.920 -1.164 -2.321 1.00 33.15 O ATOM 1940 CB CYS A 122 3.089 -3.107 -3.071 1.00 34.25 C ATOM 1941 SG CYS A 122 4.313 -3.335 -4.402 1.00 3.02 S ATOM 0 H CYS A 122 2.633 -1.232 -5.047 1.00 13.11 H new ATOM 0 HA CYS A 122 1.950 -1.500 -2.178 1.00 22.12 H new ATOM 0 HB2 CYS A 122 3.517 -3.414 -2.117 1.00 34.25 H new ATOM 0 HB3 CYS A 122 2.222 -3.743 -3.251 1.00 34.25 H new ATOM 0 HG CYS A 122 4.813 -4.533 -4.331 1.00 3.02 H new ATOM 1947 N TYR A 123 3.679 0.612 -2.878 1.00 75.40 N ATOM 1948 CA TYR A 123 4.784 1.531 -2.638 1.00 73.51 C ATOM 1949 C TYR A 123 4.914 1.776 -1.137 1.00 73.43 C ATOM 1950 O TYR A 123 3.951 2.213 -0.507 1.00 23.14 O ATOM 1951 CB TYR A 123 4.565 2.834 -3.398 1.00 72.53 C ATOM 1952 CG TYR A 123 5.833 3.642 -3.579 1.00 32.32 C ATOM 1953 CD1 TYR A 123 6.809 3.180 -4.477 1.00 75.22 C ATOM 1954 CD2 TYR A 123 6.061 4.827 -2.854 1.00 74.21 C ATOM 1955 CE1 TYR A 123 8.001 3.888 -4.658 1.00 40.14 C ATOM 1956 CE2 TYR A 123 7.248 5.556 -3.049 1.00 13.25 C ATOM 1957 CZ TYR A 123 8.221 5.094 -3.962 1.00 23.33 C ATOM 1958 OH TYR A 123 9.364 5.793 -4.215 1.00 35.13 O ATOM 0 H TYR A 123 2.816 1.051 -3.200 1.00 75.40 H new ATOM 0 HA TYR A 123 5.713 1.093 -3.002 1.00 73.51 H new ATOM 0 HB2 TYR A 123 4.143 2.609 -4.377 1.00 72.53 H new ATOM 0 HB3 TYR A 123 3.830 3.438 -2.866 1.00 72.53 H new ATOM 0 HD1 TYR A 123 6.637 2.270 -5.033 1.00 75.22 H new ATOM 0 HD2 TYR A 123 5.323 5.177 -2.147 1.00 74.21 H new ATOM 0 HE1 TYR A 123 8.755 3.510 -5.333 1.00 40.14 H new ATOM 0 HE2 TYR A 123 7.415 6.471 -2.500 1.00 13.25 H new ATOM 0 HH TYR A 123 9.351 6.634 -3.712 1.00 35.13 H new ATOM 1968 N THR A 124 6.072 1.474 -0.563 1.00 41.34 N ATOM 1969 CA THR A 124 6.404 1.681 0.839 1.00 54.12 C ATOM 1970 C THR A 124 7.913 1.887 0.936 1.00 34.42 C ATOM 1971 O THR A 124 8.673 1.258 0.183 1.00 23.31 O ATOM 1972 CB THR A 124 5.922 0.483 1.689 1.00 64.24 C ATOM 1973 OG1 THR A 124 6.530 0.468 2.961 1.00 4.22 O ATOM 1974 CG2 THR A 124 6.158 -0.894 1.050 1.00 11.04 C ATOM 0 H THR A 124 6.841 1.058 -1.089 1.00 41.34 H new ATOM 0 HA THR A 124 5.898 2.562 1.233 1.00 54.12 H new ATOM 0 HB THR A 124 4.846 0.641 1.765 1.00 64.24 H new ATOM 0 HG1 THR A 124 5.994 -0.078 3.573 1.00 4.22 H new ATOM 0 HG21 THR A 124 5.789 -1.673 1.717 1.00 11.04 H new ATOM 0 HG22 THR A 124 5.628 -0.949 0.099 1.00 11.04 H new ATOM 0 HG23 THR A 124 7.225 -1.038 0.880 1.00 11.04 H new ATOM 1982 N GLY A 125 8.343 2.703 1.903 1.00 22.13 N ATOM 1983 CA GLY A 125 9.746 2.939 2.199 1.00 50.24 C ATOM 1984 C GLY A 125 10.566 1.664 2.318 1.00 64.22 C ATOM 1985 O GLY A 125 11.717 1.653 1.875 1.00 1.43 O ATOM 0 H GLY A 125 7.709 3.224 2.509 1.00 22.13 H new ATOM 0 HA2 GLY A 125 10.174 3.564 1.415 1.00 50.24 H new ATOM 0 HA3 GLY A 125 9.823 3.499 3.131 1.00 50.24 H new ATOM 1989 N TRP A 126 9.939 0.580 2.801 1.00 31.31 N ATOM 1990 CA TRP A 126 10.535 -0.738 2.966 1.00 71.25 C ATOM 1991 C TRP A 126 11.356 -1.132 1.737 1.00 73.43 C ATOM 1992 O TRP A 126 12.472 -1.640 1.848 1.00 24.53 O ATOM 1993 CB TRP A 126 9.428 -1.785 3.165 1.00 71.55 C ATOM 1994 CG TRP A 126 8.965 -2.012 4.563 1.00 70.25 C ATOM 1995 CD1 TRP A 126 7.690 -1.984 5.009 1.00 72.34 C ATOM 1996 CD2 TRP A 126 9.779 -2.334 5.722 1.00 74.35 C ATOM 1997 NE1 TRP A 126 7.658 -2.324 6.349 1.00 65.44 N ATOM 1998 CE2 TRP A 126 8.926 -2.555 6.838 1.00 31.54 C ATOM 1999 CE3 TRP A 126 11.164 -2.446 5.935 1.00 32.31 C ATOM 2000 CZ2 TRP A 126 9.438 -2.890 8.102 1.00 65.53 C ATOM 2001 CZ3 TRP A 126 11.687 -2.764 7.194 1.00 14.34 C ATOM 2002 CH2 TRP A 126 10.828 -2.985 8.285 1.00 61.53 C ATOM 0 H TRP A 126 8.963 0.608 3.097 1.00 31.31 H new ATOM 0 HA TRP A 126 11.190 -0.701 3.836 1.00 71.25 H new ATOM 0 HB2 TRP A 126 8.567 -1.488 2.565 1.00 71.55 H new ATOM 0 HB3 TRP A 126 9.783 -2.735 2.765 1.00 71.55 H new ATOM 0 HD1 TRP A 126 6.827 -1.734 4.410 1.00 72.34 H new ATOM 0 HE1 TRP A 126 6.805 -2.395 6.904 1.00 65.44 H new ATOM 0 HE3 TRP A 126 11.840 -2.283 5.109 1.00 32.31 H new ATOM 0 HZ2 TRP A 126 8.767 -3.074 8.929 1.00 65.53 H new ATOM 0 HZ3 TRP A 126 12.756 -2.840 7.328 1.00 14.34 H new ATOM 0 HH2 TRP A 126 11.234 -3.226 9.257 1.00 61.53 H new ATOM 2013 N TYR A 127 10.782 -0.933 0.552 1.00 3.32 N ATOM 2014 CA TYR A 127 11.257 -1.504 -0.697 1.00 65.43 C ATOM 2015 C TYR A 127 11.382 -0.400 -1.749 1.00 44.42 C ATOM 2016 O TYR A 127 10.984 -0.619 -2.895 1.00 52.23 O ATOM 2017 CB TYR A 127 10.271 -2.604 -1.122 1.00 50.12 C ATOM 2018 CG TYR A 127 10.160 -3.799 -0.196 1.00 10.43 C ATOM 2019 CD1 TYR A 127 11.206 -4.739 -0.130 1.00 71.41 C ATOM 2020 CD2 TYR A 127 8.970 -4.020 0.527 1.00 23.34 C ATOM 2021 CE1 TYR A 127 11.062 -5.902 0.652 1.00 64.35 C ATOM 2022 CE2 TYR A 127 8.825 -5.173 1.319 1.00 25.31 C ATOM 2023 CZ TYR A 127 9.877 -6.120 1.384 1.00 11.11 C ATOM 2024 OH TYR A 127 9.764 -7.251 2.133 1.00 52.34 O ATOM 0 H TYR A 127 9.951 -0.353 0.436 1.00 3.32 H new ATOM 0 HA TYR A 127 12.245 -1.949 -0.580 1.00 65.43 H new ATOM 0 HB2 TYR A 127 9.282 -2.157 -1.224 1.00 50.12 H new ATOM 0 HB3 TYR A 127 10.562 -2.962 -2.110 1.00 50.12 H new ATOM 0 HD1 TYR A 127 12.120 -4.568 -0.680 1.00 71.41 H new ATOM 0 HD2 TYR A 127 8.166 -3.301 0.472 1.00 23.34 H new ATOM 0 HE1 TYR A 127 11.861 -6.628 0.691 1.00 64.35 H new ATOM 0 HE2 TYR A 127 7.914 -5.336 1.876 1.00 25.31 H new ATOM 0 HH TYR A 127 10.370 -7.197 2.901 1.00 52.34 H new ATOM 2034 N GLY A 128 11.870 0.778 -1.349 1.00 30.51 N ATOM 2035 CA GLY A 128 11.940 1.970 -2.180 1.00 32.22 C ATOM 2036 C GLY A 128 13.360 2.531 -2.291 1.00 33.34 C ATOM 2037 O GLY A 128 14.351 1.878 -1.947 1.00 51.04 O ATOM 0 H GLY A 128 12.237 0.926 -0.409 1.00 30.51 H new ATOM 0 HA2 GLY A 128 11.568 1.735 -3.177 1.00 32.22 H new ATOM 0 HA3 GLY A 128 11.283 2.735 -1.767 1.00 32.22 H new ATOM 2041 N TYR A 129 13.438 3.760 -2.804 1.00 13.12 N ATOM 2042 CA TYR A 129 14.651 4.442 -3.238 1.00 31.45 C ATOM 2043 C TYR A 129 15.648 4.700 -2.092 1.00 31.35 C ATOM 2044 O TYR A 129 16.834 4.907 -2.376 1.00 51.33 O ATOM 2045 CB TYR A 129 14.275 5.766 -3.938 1.00 71.50 C ATOM 2046 CG TYR A 129 13.854 5.678 -5.405 1.00 23.14 C ATOM 2047 CD1 TYR A 129 12.899 4.738 -5.853 1.00 20.54 C ATOM 2048 CD2 TYR A 129 14.412 6.583 -6.333 1.00 51.11 C ATOM 2049 CE1 TYR A 129 12.521 4.698 -7.208 1.00 52.21 C ATOM 2050 CE2 TYR A 129 14.042 6.537 -7.690 1.00 31.42 C ATOM 2051 CZ TYR A 129 13.100 5.586 -8.141 1.00 61.22 C ATOM 2052 OH TYR A 129 12.773 5.512 -9.462 1.00 52.13 O ATOM 0 H TYR A 129 12.606 4.336 -2.934 1.00 13.12 H new ATOM 0 HA TYR A 129 15.161 3.780 -3.938 1.00 31.45 H new ATOM 0 HB2 TYR A 129 13.461 6.226 -3.378 1.00 71.50 H new ATOM 0 HB3 TYR A 129 15.129 6.440 -3.870 1.00 71.50 H new ATOM 0 HD1 TYR A 129 12.457 4.046 -5.152 1.00 20.54 H new ATOM 0 HD2 TYR A 129 15.130 7.318 -5.999 1.00 51.11 H new ATOM 0 HE1 TYR A 129 11.782 3.982 -7.537 1.00 52.21 H new ATOM 0 HE2 TYR A 129 14.481 7.232 -8.390 1.00 31.42 H new ATOM 0 HH TYR A 129 13.311 6.155 -9.969 1.00 52.13 H new ATOM 2062 N ASP A 130 15.236 4.648 -0.819 1.00 54.21 N ATOM 2063 CA ASP A 130 16.102 4.997 0.315 1.00 61.54 C ATOM 2064 C ASP A 130 17.075 3.857 0.625 1.00 65.53 C ATOM 2065 O ASP A 130 18.084 4.058 1.305 1.00 71.14 O ATOM 2066 CB ASP A 130 15.258 5.333 1.558 1.00 45.30 C ATOM 2067 CG ASP A 130 16.089 5.956 2.689 1.00 4.05 C ATOM 2068 OD1 ASP A 130 16.371 7.175 2.626 1.00 73.51 O ATOM 2069 OD2 ASP A 130 16.455 5.261 3.665 1.00 5.34 O ATOM 0 H ASP A 130 14.295 4.364 -0.546 1.00 54.21 H new ATOM 0 HA ASP A 130 16.681 5.879 0.041 1.00 61.54 H new ATOM 0 HB2 ASP A 130 14.462 6.022 1.276 1.00 45.30 H new ATOM 0 HB3 ASP A 130 14.779 4.425 1.923 1.00 45.30 H new ATOM 2074 N LEU A 131 16.815 2.650 0.113 1.00 61.45 N ATOM 2075 CA LEU A 131 17.505 1.436 0.522 1.00 23.32 C ATOM 2076 C LEU A 131 18.334 0.913 -0.644 1.00 33.44 C ATOM 2077 O LEU A 131 17.911 1.050 -1.792 1.00 34.31 O ATOM 2078 CB LEU A 131 16.461 0.402 0.969 1.00 34.23 C ATOM 2079 CG LEU A 131 16.224 0.315 2.488 1.00 61.13 C ATOM 2080 CD1 LEU A 131 17.467 -0.057 3.309 1.00 74.13 C ATOM 2081 CD2 LEU A 131 15.600 1.597 3.048 1.00 63.52 C ATOM 0 H LEU A 131 16.109 2.493 -0.606 1.00 61.45 H new ATOM 0 HA LEU A 131 18.178 1.637 1.356 1.00 23.32 H new ATOM 0 HB2 LEU A 131 15.513 0.635 0.484 1.00 34.23 H new ATOM 0 HB3 LEU A 131 16.770 -0.580 0.610 1.00 34.23 H new ATOM 0 HG LEU A 131 15.520 -0.510 2.597 1.00 61.13 H new ATOM 0 HD11 LEU A 131 17.206 -0.095 4.367 1.00 74.13 H new ATOM 0 HD12 LEU A 131 17.835 -1.032 2.991 1.00 74.13 H new ATOM 0 HD13 LEU A 131 18.243 0.692 3.153 1.00 74.13 H new ATOM 0 HD21 LEU A 131 15.451 1.490 4.122 1.00 63.52 H new ATOM 0 HD22 LEU A 131 16.265 2.439 2.856 1.00 63.52 H new ATOM 0 HD23 LEU A 131 14.640 1.775 2.565 1.00 63.52 H new ATOM 2093 N PRO A 132 19.517 0.326 -0.414 1.00 45.41 N ATOM 2094 CA PRO A 132 20.378 -0.090 -1.506 1.00 74.42 C ATOM 2095 C PRO A 132 19.956 -1.424 -2.107 1.00 31.30 C ATOM 2096 O PRO A 132 19.272 -2.254 -1.495 1.00 14.33 O ATOM 2097 CB PRO A 132 21.773 -0.198 -0.892 1.00 11.02 C ATOM 2098 CG PRO A 132 21.480 -0.612 0.544 1.00 51.32 C ATOM 2099 CD PRO A 132 20.219 0.193 0.854 1.00 41.42 C ATOM 0 HA PRO A 132 20.332 0.624 -2.328 1.00 74.42 H new ATOM 0 HB2 PRO A 132 22.386 -0.937 -1.409 1.00 11.02 H new ATOM 0 HB3 PRO A 132 22.309 0.750 -0.938 1.00 11.02 H new ATOM 0 HG2 PRO A 132 21.311 -1.685 0.633 1.00 51.32 H new ATOM 0 HG3 PRO A 132 22.300 -0.361 1.217 1.00 51.32 H new ATOM 0 HD2 PRO A 132 19.600 -0.317 1.593 1.00 41.42 H new ATOM 0 HD3 PRO A 132 20.470 1.170 1.268 1.00 41.42 H new ATOM 2107 N ILE A 133 20.492 -1.670 -3.302 1.00 22.23 N ATOM 2108 CA ILE A 133 20.291 -2.889 -4.062 1.00 51.22 C ATOM 2109 C ILE A 133 20.740 -4.155 -3.304 1.00 40.13 C ATOM 2110 O ILE A 133 20.276 -5.254 -3.627 1.00 2.44 O ATOM 2111 CB ILE A 133 20.922 -2.683 -5.456 1.00 22.23 C ATOM 2112 CG1 ILE A 133 20.367 -3.683 -6.480 1.00 54.42 C ATOM 2113 CG2 ILE A 133 22.450 -2.704 -5.396 1.00 33.40 C ATOM 2114 CD1 ILE A 133 20.716 -3.289 -7.921 1.00 51.14 C ATOM 0 H ILE A 133 21.097 -1.000 -3.777 1.00 22.23 H new ATOM 0 HA ILE A 133 19.228 -3.083 -4.205 1.00 51.22 H new ATOM 0 HB ILE A 133 20.637 -1.688 -5.799 1.00 22.23 H new ATOM 0 HG12 ILE A 133 20.766 -4.675 -6.270 1.00 54.42 H new ATOM 0 HG13 ILE A 133 19.284 -3.746 -6.374 1.00 54.42 H new ATOM 0 HG21 ILE A 133 22.855 -2.556 -6.397 1.00 33.40 H new ATOM 0 HG22 ILE A 133 22.799 -1.906 -4.741 1.00 33.40 H new ATOM 0 HG23 ILE A 133 22.786 -3.665 -5.007 1.00 33.40 H new ATOM 0 HD11 ILE A 133 20.303 -4.026 -8.610 1.00 51.14 H new ATOM 0 HD12 ILE A 133 20.294 -2.308 -8.142 1.00 51.14 H new ATOM 0 HD13 ILE A 133 21.799 -3.253 -8.036 1.00 51.14 H new ATOM 2126 N GLY A 134 21.585 -4.044 -2.274 1.00 71.45 N ATOM 2127 CA GLY A 134 22.072 -5.159 -1.473 1.00 42.13 C ATOM 2128 C GLY A 134 21.411 -5.283 -0.099 1.00 14.21 C ATOM 2129 O GLY A 134 21.884 -6.098 0.696 1.00 45.15 O ATOM 0 H GLY A 134 21.958 -3.145 -1.969 1.00 71.45 H new ATOM 0 HA2 GLY A 134 21.912 -6.085 -2.025 1.00 42.13 H new ATOM 0 HA3 GLY A 134 23.148 -5.051 -1.337 1.00 42.13 H new ATOM 2133 N GLU A 135 20.342 -4.535 0.214 1.00 42.14 N ATOM 2134 CA GLU A 135 19.606 -4.712 1.470 1.00 65.54 C ATOM 2135 C GLU A 135 18.268 -5.416 1.278 1.00 42.34 C ATOM 2136 O GLU A 135 17.714 -5.935 2.243 1.00 12.01 O ATOM 2137 CB GLU A 135 19.404 -3.367 2.173 1.00 31.34 C ATOM 2138 CG GLU A 135 20.602 -2.983 3.051 1.00 34.52 C ATOM 2139 CD GLU A 135 20.764 -3.806 4.345 1.00 11.12 C ATOM 2140 OE1 GLU A 135 20.731 -5.055 4.322 1.00 22.24 O ATOM 2141 OE2 GLU A 135 21.121 -3.199 5.380 1.00 72.53 O ATOM 0 H GLU A 135 19.969 -3.801 -0.388 1.00 42.14 H new ATOM 0 HA GLU A 135 20.217 -5.359 2.100 1.00 65.54 H new ATOM 0 HB2 GLU A 135 19.240 -2.590 1.426 1.00 31.34 H new ATOM 0 HB3 GLU A 135 18.505 -3.412 2.788 1.00 31.34 H new ATOM 0 HG2 GLU A 135 21.512 -3.085 2.459 1.00 34.52 H new ATOM 0 HG3 GLU A 135 20.512 -1.930 3.319 1.00 34.52 H new ATOM 2148 N LEU A 136 17.772 -5.509 0.039 1.00 34.44 N ATOM 2149 CA LEU A 136 16.461 -6.073 -0.280 1.00 24.51 C ATOM 2150 C LEU A 136 16.260 -7.415 0.439 1.00 71.52 C ATOM 2151 O LEU A 136 15.317 -7.598 1.197 1.00 31.53 O ATOM 2152 CB LEU A 136 16.351 -6.237 -1.806 1.00 11.03 C ATOM 2153 CG LEU A 136 14.927 -6.148 -2.394 1.00 24.12 C ATOM 2154 CD1 LEU A 136 14.919 -6.829 -3.771 1.00 74.43 C ATOM 2155 CD2 LEU A 136 13.833 -6.794 -1.553 1.00 5.21 C ATOM 0 H LEU A 136 18.282 -5.188 -0.784 1.00 34.44 H new ATOM 0 HA LEU A 136 15.676 -5.400 0.065 1.00 24.51 H new ATOM 0 HB2 LEU A 136 16.967 -5.472 -2.279 1.00 11.03 H new ATOM 0 HB3 LEU A 136 16.776 -7.203 -2.080 1.00 11.03 H new ATOM 0 HG LEU A 136 14.697 -5.083 -2.436 1.00 24.12 H new ATOM 0 HD11 LEU A 136 13.918 -6.773 -4.199 1.00 74.43 H new ATOM 0 HD12 LEU A 136 15.624 -6.324 -4.431 1.00 74.43 H new ATOM 0 HD13 LEU A 136 15.209 -7.874 -3.662 1.00 74.43 H new ATOM 0 HD21 LEU A 136 12.872 -6.676 -2.054 1.00 5.21 H new ATOM 0 HD22 LEU A 136 14.049 -7.855 -1.427 1.00 5.21 H new ATOM 0 HD23 LEU A 136 13.794 -6.313 -0.575 1.00 5.21 H new ATOM 2167 N LYS A 137 17.198 -8.347 0.241 1.00 61.22 N ATOM 2168 CA LYS A 137 17.259 -9.644 0.921 1.00 2.01 C ATOM 2169 C LYS A 137 16.999 -9.566 2.425 1.00 63.55 C ATOM 2170 O LYS A 137 16.250 -10.378 2.980 1.00 65.42 O ATOM 2171 CB LYS A 137 18.562 -10.339 0.597 1.00 23.30 C ATOM 2172 CG LYS A 137 19.817 -9.523 0.884 1.00 42.11 C ATOM 2173 CD LYS A 137 20.986 -10.165 0.145 1.00 11.11 C ATOM 2174 CE LYS A 137 21.859 -9.039 -0.394 1.00 51.45 C ATOM 2175 NZ LYS A 137 23.269 -9.397 -0.619 1.00 50.25 N ATOM 0 H LYS A 137 17.963 -8.214 -0.421 1.00 61.22 H new ATOM 0 HA LYS A 137 16.437 -10.246 0.534 1.00 2.01 H new ATOM 0 HB2 LYS A 137 18.612 -11.267 1.166 1.00 23.30 H new ATOM 0 HB3 LYS A 137 18.558 -10.612 -0.458 1.00 23.30 H new ATOM 0 HG2 LYS A 137 19.682 -8.492 0.558 1.00 42.11 H new ATOM 0 HG3 LYS A 137 20.015 -9.495 1.956 1.00 42.11 H new ATOM 0 HD2 LYS A 137 21.558 -10.806 0.815 1.00 11.11 H new ATOM 0 HD3 LYS A 137 20.626 -10.795 -0.669 1.00 11.11 H new ATOM 0 HE2 LYS A 137 21.434 -8.689 -1.335 1.00 51.45 H new ATOM 0 HE3 LYS A 137 21.819 -8.203 0.304 1.00 51.45 H new ATOM 0 HZ1 LYS A 137 23.783 -8.570 -0.985 1.00 50.25 H new ATOM 0 HZ2 LYS A 137 23.697 -9.702 0.278 1.00 50.25 H new ATOM 0 HZ3 LYS A 137 23.324 -10.173 -1.310 1.00 50.25 H new ATOM 2189 N GLN A 138 17.657 -8.622 3.083 1.00 72.52 N ATOM 2190 CA GLN A 138 17.547 -8.340 4.505 1.00 24.11 C ATOM 2191 C GLN A 138 16.131 -7.843 4.825 1.00 32.53 C ATOM 2192 O GLN A 138 15.472 -8.423 5.686 1.00 10.43 O ATOM 2193 CB GLN A 138 18.655 -7.346 4.898 1.00 64.12 C ATOM 2194 CG GLN A 138 19.255 -7.620 6.283 1.00 65.51 C ATOM 2195 CD GLN A 138 18.285 -7.327 7.414 1.00 3.31 C ATOM 2196 OE1 GLN A 138 17.751 -6.231 7.526 1.00 71.55 O ATOM 2197 NE2 GLN A 138 18.032 -8.287 8.288 1.00 65.22 N ATOM 0 H GLN A 138 18.316 -8.001 2.614 1.00 72.52 H new ATOM 0 HA GLN A 138 17.695 -9.240 5.102 1.00 24.11 H new ATOM 0 HB2 GLN A 138 19.449 -7.384 4.152 1.00 64.12 H new ATOM 0 HB3 GLN A 138 18.249 -6.335 4.880 1.00 64.12 H new ATOM 0 HG2 GLN A 138 19.566 -8.663 6.339 1.00 65.51 H new ATOM 0 HG3 GLN A 138 20.151 -7.012 6.412 1.00 65.51 H new ATOM 0 HE21 GLN A 138 18.480 -9.198 8.189 1.00 65.22 H new ATOM 0 HE22 GLN A 138 17.389 -8.116 9.061 1.00 65.22 H new ATOM 2206 N THR A 139 15.600 -6.853 4.105 1.00 43.41 N ATOM 2207 CA THR A 139 14.240 -6.342 4.291 1.00 22.23 C ATOM 2208 C THR A 139 13.184 -7.461 4.273 1.00 31.11 C ATOM 2209 O THR A 139 12.215 -7.423 5.030 1.00 62.41 O ATOM 2210 CB THR A 139 13.944 -5.313 3.190 1.00 41.25 C ATOM 2211 OG1 THR A 139 14.967 -4.340 3.114 1.00 51.42 O ATOM 2212 CG2 THR A 139 12.600 -4.625 3.409 1.00 74.42 C ATOM 0 H THR A 139 16.112 -6.375 3.363 1.00 43.41 H new ATOM 0 HA THR A 139 14.183 -5.875 5.274 1.00 22.23 H new ATOM 0 HB THR A 139 13.903 -5.861 2.248 1.00 41.25 H new ATOM 0 HG1 THR A 139 14.756 -3.698 2.405 1.00 51.42 H new ATOM 0 HG21 THR A 139 12.426 -3.904 2.610 1.00 74.42 H new ATOM 0 HG22 THR A 139 11.805 -5.370 3.405 1.00 74.42 H new ATOM 0 HG23 THR A 139 12.608 -4.108 4.369 1.00 74.42 H new ATOM 2220 N ILE A 140 13.364 -8.488 3.440 1.00 51.22 N ATOM 2221 CA ILE A 140 12.371 -9.546 3.279 1.00 61.23 C ATOM 2222 C ILE A 140 12.264 -10.361 4.583 1.00 4.43 C ATOM 2223 O ILE A 140 11.190 -10.884 4.887 1.00 64.34 O ATOM 2224 CB ILE A 140 12.685 -10.420 2.037 1.00 54.14 C ATOM 2225 CG1 ILE A 140 12.764 -9.622 0.715 1.00 21.41 C ATOM 2226 CG2 ILE A 140 11.577 -11.465 1.851 1.00 33.51 C ATOM 2227 CD1 ILE A 140 13.389 -10.401 -0.457 1.00 61.22 C ATOM 0 H ILE A 140 14.197 -8.607 2.863 1.00 51.22 H new ATOM 0 HA ILE A 140 11.392 -9.104 3.092 1.00 61.23 H new ATOM 0 HB ILE A 140 13.660 -10.865 2.233 1.00 54.14 H new ATOM 0 HG12 ILE A 140 11.759 -9.308 0.433 1.00 21.41 H new ATOM 0 HG13 ILE A 140 13.345 -8.716 0.885 1.00 21.41 H new ATOM 0 HG21 ILE A 140 11.799 -12.079 0.978 1.00 33.51 H new ATOM 0 HG22 ILE A 140 11.523 -12.099 2.736 1.00 33.51 H new ATOM 0 HG23 ILE A 140 10.622 -10.961 1.707 1.00 33.51 H new ATOM 0 HD11 ILE A 140 13.407 -9.770 -1.345 1.00 61.22 H new ATOM 0 HD12 ILE A 140 14.407 -10.692 -0.199 1.00 61.22 H new ATOM 0 HD13 ILE A 140 12.796 -11.293 -0.658 1.00 61.22 H new ATOM 2239 N GLN A 141 13.339 -10.466 5.376 1.00 32.14 N ATOM 2240 CA GLN A 141 13.275 -11.031 6.725 1.00 53.35 C ATOM 2241 C GLN A 141 12.333 -10.203 7.566 1.00 44.43 C ATOM 2242 O GLN A 141 11.407 -10.748 8.155 1.00 23.22 O ATOM 2243 CB GLN A 141 14.653 -11.053 7.402 1.00 62.34 C ATOM 2244 CG GLN A 141 15.695 -11.914 6.682 1.00 63.53 C ATOM 2245 CD GLN A 141 15.709 -13.342 7.195 1.00 51.32 C ATOM 2246 OE1 GLN A 141 15.336 -14.277 6.484 1.00 72.51 O ATOM 2247 NE2 GLN A 141 16.127 -13.529 8.429 1.00 30.40 N ATOM 0 H GLN A 141 14.273 -10.162 5.099 1.00 32.14 H new ATOM 0 HA GLN A 141 12.921 -12.058 6.640 1.00 53.35 H new ATOM 0 HB2 GLN A 141 15.027 -10.032 7.471 1.00 62.34 H new ATOM 0 HB3 GLN A 141 14.538 -11.420 8.422 1.00 62.34 H new ATOM 0 HG2 GLN A 141 15.486 -11.916 5.612 1.00 63.53 H new ATOM 0 HG3 GLN A 141 16.683 -11.472 6.813 1.00 63.53 H new ATOM 0 HE21 GLN A 141 16.429 -12.733 8.991 1.00 30.40 H new ATOM 0 HE22 GLN A 141 16.149 -14.470 8.823 1.00 30.40 H new ATOM 2256 N ASN A 142 12.580 -8.900 7.573 1.00 5.22 N ATOM 2257 CA ASN A 142 11.953 -7.966 8.500 1.00 33.24 C ATOM 2258 C ASN A 142 10.443 -7.932 8.298 1.00 73.23 C ATOM 2259 O ASN A 142 9.676 -7.923 9.257 1.00 71.33 O ATOM 2260 CB ASN A 142 12.561 -6.567 8.336 1.00 2.21 C ATOM 2261 CG ASN A 142 13.988 -6.519 8.861 1.00 51.25 C ATOM 2262 OD1 ASN A 142 14.225 -6.316 10.048 1.00 2.40 O ATOM 2263 ND2 ASN A 142 14.981 -6.762 8.023 1.00 65.15 N ATOM 0 H ASN A 142 13.231 -8.455 6.926 1.00 5.22 H new ATOM 0 HA ASN A 142 12.144 -8.307 9.517 1.00 33.24 H new ATOM 0 HB2 ASN A 142 12.549 -6.284 7.283 1.00 2.21 H new ATOM 0 HB3 ASN A 142 11.950 -5.838 8.869 1.00 2.21 H new ATOM 0 HD21 ASN A 142 15.942 -6.781 8.363 1.00 65.15 H new ATOM 0 HD22 ASN A 142 14.786 -6.931 7.036 1.00 65.15 H new ATOM 2270 N VAL A 143 9.993 -7.984 7.043 1.00 33.54 N ATOM 2271 CA VAL A 143 8.576 -7.827 6.737 1.00 65.21 C ATOM 2272 C VAL A 143 7.777 -9.010 7.290 1.00 30.51 C ATOM 2273 O VAL A 143 6.669 -8.808 7.787 1.00 2.10 O ATOM 2274 CB VAL A 143 8.416 -7.548 5.229 1.00 33.22 C ATOM 2275 CG1 VAL A 143 6.994 -7.717 4.678 1.00 11.14 C ATOM 2276 CG2 VAL A 143 8.863 -6.096 4.976 1.00 62.12 C ATOM 0 H VAL A 143 10.588 -8.133 6.228 1.00 33.54 H new ATOM 0 HA VAL A 143 8.147 -6.961 7.241 1.00 65.21 H new ATOM 0 HB VAL A 143 9.023 -8.290 4.711 1.00 33.22 H new ATOM 0 HG11 VAL A 143 6.989 -7.498 3.610 1.00 11.14 H new ATOM 0 HG12 VAL A 143 6.661 -8.742 4.840 1.00 11.14 H new ATOM 0 HG13 VAL A 143 6.321 -7.031 5.192 1.00 11.14 H new ATOM 0 HG21 VAL A 143 8.763 -5.864 3.916 1.00 62.12 H new ATOM 0 HG22 VAL A 143 8.239 -5.417 5.557 1.00 62.12 H new ATOM 0 HG23 VAL A 143 9.904 -5.978 5.276 1.00 62.12 H new ATOM 2286 N LYS A 144 8.339 -10.227 7.302 1.00 54.22 N ATOM 2287 CA LYS A 144 7.682 -11.373 7.937 1.00 65.44 C ATOM 2288 C LYS A 144 7.349 -11.127 9.412 1.00 11.13 C ATOM 2289 O LYS A 144 6.382 -11.711 9.900 1.00 54.32 O ATOM 2290 CB LYS A 144 8.604 -12.603 7.871 1.00 73.42 C ATOM 2291 CG LYS A 144 8.565 -13.348 6.542 1.00 12.40 C ATOM 2292 CD LYS A 144 9.683 -14.401 6.532 1.00 12.04 C ATOM 2293 CE LYS A 144 11.003 -13.785 6.061 1.00 25.23 C ATOM 2294 NZ LYS A 144 11.061 -13.753 4.590 1.00 33.12 N ATOM 0 H LYS A 144 9.243 -10.440 6.881 1.00 54.22 H new ATOM 0 HA LYS A 144 6.752 -11.533 7.392 1.00 65.44 H new ATOM 0 HB2 LYS A 144 9.628 -12.285 8.066 1.00 73.42 H new ATOM 0 HB3 LYS A 144 8.327 -13.293 8.669 1.00 73.42 H new ATOM 0 HG2 LYS A 144 7.595 -13.826 6.406 1.00 12.40 H new ATOM 0 HG3 LYS A 144 8.696 -12.651 5.714 1.00 12.40 H new ATOM 0 HD2 LYS A 144 9.806 -14.817 7.532 1.00 12.04 H new ATOM 0 HD3 LYS A 144 9.406 -15.226 5.876 1.00 12.04 H new ATOM 0 HE2 LYS A 144 11.101 -12.774 6.457 1.00 25.23 H new ATOM 0 HE3 LYS A 144 11.841 -14.363 6.451 1.00 25.23 H new ATOM 0 HZ1 LYS A 144 12.025 -13.510 4.286 1.00 33.12 H new ATOM 0 HZ2 LYS A 144 10.804 -14.687 4.212 1.00 33.12 H new ATOM 0 HZ3 LYS A 144 10.395 -13.040 4.232 1.00 33.12 H new ATOM 2308 N GLU A 145 8.175 -10.362 10.117 1.00 30.30 N ATOM 2309 CA GLU A 145 8.234 -10.277 11.570 1.00 22.22 C ATOM 2310 C GLU A 145 7.199 -9.271 12.057 1.00 70.32 C ATOM 2311 O GLU A 145 6.356 -9.597 12.889 1.00 72.44 O ATOM 2312 CB GLU A 145 9.686 -9.923 11.955 1.00 22.11 C ATOM 2313 CG GLU A 145 10.594 -11.037 11.397 1.00 11.44 C ATOM 2314 CD GLU A 145 12.107 -10.878 11.518 1.00 13.11 C ATOM 2315 OE1 GLU A 145 12.636 -9.750 11.641 1.00 24.53 O ATOM 2316 OE2 GLU A 145 12.792 -11.912 11.328 1.00 74.35 O ATOM 0 H GLU A 145 8.857 -9.753 9.666 1.00 30.30 H new ATOM 0 HA GLU A 145 7.983 -11.220 12.056 1.00 22.22 H new ATOM 0 HB2 GLU A 145 9.968 -8.955 11.541 1.00 22.11 H new ATOM 0 HB3 GLU A 145 9.789 -9.850 13.038 1.00 22.11 H new ATOM 0 HG2 GLU A 145 10.319 -11.968 11.893 1.00 11.44 H new ATOM 0 HG3 GLU A 145 10.358 -11.158 10.340 1.00 11.44 H new ATOM 2323 N GLU A 146 7.161 -8.106 11.414 1.00 3.34 N ATOM 2324 CA GLU A 146 6.060 -7.147 11.503 1.00 32.20 C ATOM 2325 C GLU A 146 4.721 -7.866 11.254 1.00 42.23 C ATOM 2326 O GLU A 146 3.773 -7.771 12.031 1.00 1.44 O ATOM 2327 CB GLU A 146 6.272 -6.102 10.406 1.00 73.51 C ATOM 2328 CG GLU A 146 7.558 -5.274 10.470 1.00 64.54 C ATOM 2329 CD GLU A 146 7.358 -3.950 11.189 1.00 12.02 C ATOM 2330 OE1 GLU A 146 6.879 -2.995 10.531 1.00 41.03 O ATOM 2331 OE2 GLU A 146 7.638 -3.853 12.405 1.00 61.55 O ATOM 0 H GLU A 146 7.914 -7.794 10.801 1.00 3.34 H new ATOM 0 HA GLU A 146 6.037 -6.685 12.490 1.00 32.20 H new ATOM 0 HB2 GLU A 146 6.246 -6.612 9.443 1.00 73.51 H new ATOM 0 HB3 GLU A 146 5.426 -5.415 10.425 1.00 73.51 H new ATOM 0 HG2 GLU A 146 8.332 -5.848 10.980 1.00 64.54 H new ATOM 0 HG3 GLU A 146 7.916 -5.085 9.458 1.00 64.54 H new ATOM 2338 N ASN A 147 4.662 -8.653 10.174 1.00 70.12 N ATOM 2339 CA ASN A 147 3.472 -9.400 9.786 1.00 10.10 C ATOM 2340 C ASN A 147 3.117 -10.489 10.800 1.00 2.10 C ATOM 2341 O ASN A 147 1.984 -10.975 10.803 1.00 72.44 O ATOM 2342 CB ASN A 147 3.683 -10.092 8.432 1.00 34.24 C ATOM 2343 CG ASN A 147 3.847 -9.178 7.234 1.00 70.24 C ATOM 2344 OD1 ASN A 147 3.751 -7.960 7.319 1.00 1.20 O ATOM 2345 ND2 ASN A 147 4.079 -9.775 6.074 1.00 52.12 N ATOM 0 H ASN A 147 5.451 -8.787 9.541 1.00 70.12 H new ATOM 0 HA ASN A 147 2.663 -8.671 9.733 1.00 10.10 H new ATOM 0 HB2 ASN A 147 4.568 -10.725 8.504 1.00 34.24 H new ATOM 0 HB3 ASN A 147 2.834 -10.751 8.247 1.00 34.24 H new ATOM 0 HD21 ASN A 147 4.182 -9.218 5.226 1.00 52.12 H new ATOM 0 HD22 ASN A 147 4.155 -10.791 6.030 1.00 52.12 H new ATOM 2352 N ALA A 148 4.082 -10.938 11.605 1.00 13.01 N ATOM 2353 CA ALA A 148 3.846 -11.918 12.646 1.00 2.20 C ATOM 2354 C ALA A 148 3.202 -11.227 13.844 1.00 32.13 C ATOM 2355 O ALA A 148 2.248 -11.768 14.395 1.00 25.30 O ATOM 2356 CB ALA A 148 5.146 -12.622 13.035 1.00 63.43 C ATOM 0 H ALA A 148 5.051 -10.625 11.546 1.00 13.01 H new ATOM 0 HA ALA A 148 3.167 -12.686 12.277 1.00 2.20 H new ATOM 0 HB1 ALA A 148 4.944 -13.353 13.818 1.00 63.43 H new ATOM 0 HB2 ALA A 148 5.560 -13.129 12.163 1.00 63.43 H new ATOM 0 HB3 ALA A 148 5.862 -11.887 13.401 1.00 63.43 H new ATOM 2362 N ALA A 149 3.668 -10.027 14.213 1.00 25.34 N ATOM 2363 CA ALA A 149 3.030 -9.213 15.243 1.00 41.33 C ATOM 2364 C ALA A 149 1.571 -8.920 14.871 1.00 42.43 C ATOM 2365 O ALA A 149 0.701 -9.038 15.724 1.00 31.42 O ATOM 2366 CB ALA A 149 3.828 -7.924 15.478 1.00 51.31 C ATOM 0 H ALA A 149 4.498 -9.598 13.803 1.00 25.34 H new ATOM 0 HA ALA A 149 3.023 -9.771 16.179 1.00 41.33 H new ATOM 0 HB1 ALA A 149 3.339 -7.329 16.249 1.00 51.31 H new ATOM 0 HB2 ALA A 149 4.838 -8.175 15.800 1.00 51.31 H new ATOM 0 HB3 ALA A 149 3.875 -7.351 14.552 1.00 51.31 H new ATOM 2372 N PHE A 150 1.290 -8.612 13.598 1.00 74.21 N ATOM 2373 CA PHE A 150 -0.082 -8.437 13.119 1.00 34.51 C ATOM 2374 C PHE A 150 -0.900 -9.717 13.336 1.00 1.11 C ATOM 2375 O PHE A 150 -1.970 -9.687 13.945 1.00 10.13 O ATOM 2376 CB PHE A 150 -0.070 -8.026 11.637 1.00 72.41 C ATOM 2377 CG PHE A 150 -1.417 -7.635 11.039 1.00 71.44 C ATOM 2378 CD1 PHE A 150 -2.449 -8.581 10.861 1.00 50.31 C ATOM 2379 CD2 PHE A 150 -1.622 -6.320 10.582 1.00 25.13 C ATOM 2380 CE1 PHE A 150 -3.650 -8.216 10.231 1.00 2.04 C ATOM 2381 CE2 PHE A 150 -2.816 -5.966 9.933 1.00 64.20 C ATOM 2382 CZ PHE A 150 -3.834 -6.911 9.758 1.00 13.33 C ATOM 0 H PHE A 150 2.002 -8.479 12.880 1.00 74.21 H new ATOM 0 HA PHE A 150 -0.559 -7.642 13.692 1.00 34.51 H new ATOM 0 HB2 PHE A 150 0.615 -7.186 11.519 1.00 72.41 H new ATOM 0 HB3 PHE A 150 0.337 -8.853 11.055 1.00 72.41 H new ATOM 0 HD1 PHE A 150 -2.314 -9.593 11.212 1.00 50.31 H new ATOM 0 HD2 PHE A 150 -0.854 -5.576 10.732 1.00 25.13 H new ATOM 0 HE1 PHE A 150 -4.436 -8.946 10.111 1.00 2.04 H new ATOM 0 HE2 PHE A 150 -2.950 -4.959 9.567 1.00 64.20 H new ATOM 0 HZ PHE A 150 -4.753 -6.636 9.262 1.00 13.33 H new ATOM 2392 N LYS A 151 -0.462 -10.853 12.774 1.00 25.43 N ATOM 2393 CA LYS A 151 -1.296 -12.057 12.768 1.00 33.31 C ATOM 2394 C LYS A 151 -1.415 -12.706 14.149 1.00 33.13 C ATOM 2395 O LYS A 151 -2.268 -13.571 14.319 1.00 23.22 O ATOM 2396 CB LYS A 151 -0.848 -13.031 11.676 1.00 25.33 C ATOM 2397 CG LYS A 151 0.274 -13.953 12.151 1.00 4.12 C ATOM 2398 CD LYS A 151 0.697 -14.931 11.058 1.00 31.52 C ATOM 2399 CE LYS A 151 1.545 -14.209 10.012 1.00 42.04 C ATOM 2400 NZ LYS A 151 1.962 -15.138 8.946 1.00 11.04 N ATOM 0 H LYS A 151 0.448 -10.961 12.326 1.00 25.43 H new ATOM 0 HA LYS A 151 -2.311 -11.748 12.518 1.00 33.31 H new ATOM 0 HB2 LYS A 151 -1.699 -13.632 11.356 1.00 25.33 H new ATOM 0 HB3 LYS A 151 -0.510 -12.468 10.806 1.00 25.33 H new ATOM 0 HG2 LYS A 151 1.132 -13.355 12.457 1.00 4.12 H new ATOM 0 HG3 LYS A 151 -0.057 -14.508 13.029 1.00 4.12 H new ATOM 0 HD2 LYS A 151 1.264 -15.753 11.494 1.00 31.52 H new ATOM 0 HD3 LYS A 151 -0.184 -15.366 10.587 1.00 31.52 H new ATOM 0 HE2 LYS A 151 0.976 -13.385 9.581 1.00 42.04 H new ATOM 0 HE3 LYS A 151 2.425 -13.774 10.487 1.00 42.04 H new ATOM 0 HZ1 LYS A 151 2.537 -14.627 8.246 1.00 11.04 H new ATOM 0 HZ2 LYS A 151 2.524 -15.910 9.358 1.00 11.04 H new ATOM 0 HZ3 LYS A 151 1.120 -15.533 8.481 1.00 11.04 H new ATOM 2414 N GLU A 152 -0.598 -12.301 15.122 1.00 64.34 N ATOM 2415 CA GLU A 152 -0.751 -12.673 16.526 1.00 13.21 C ATOM 2416 C GLU A 152 -2.096 -12.176 17.071 1.00 13.23 C ATOM 2417 O GLU A 152 -2.592 -12.685 18.077 1.00 10.30 O ATOM 2418 CB GLU A 152 0.429 -12.069 17.306 1.00 1.44 C ATOM 2419 CG GLU A 152 0.569 -12.518 18.767 1.00 33.54 C ATOM 2420 CD GLU A 152 0.730 -14.027 18.975 1.00 14.14 C ATOM 2421 OE1 GLU A 152 1.038 -14.773 18.014 1.00 2.14 O ATOM 2422 OE2 GLU A 152 0.558 -14.469 20.137 1.00 54.45 O ATOM 0 H GLU A 152 0.203 -11.694 14.951 1.00 64.34 H new ATOM 0 HA GLU A 152 -0.746 -13.757 16.636 1.00 13.21 H new ATOM 0 HB2 GLU A 152 1.351 -12.317 16.780 1.00 1.44 H new ATOM 0 HB3 GLU A 152 0.333 -10.983 17.288 1.00 1.44 H new ATOM 0 HG2 GLU A 152 1.431 -12.014 19.204 1.00 33.54 H new ATOM 0 HG3 GLU A 152 -0.310 -12.183 19.319 1.00 33.54 H new ATOM 2429 N ILE A 153 -2.687 -11.183 16.402 1.00 51.04 N ATOM 2430 CA ILE A 153 -3.953 -10.557 16.743 1.00 25.44 C ATOM 2431 C ILE A 153 -4.985 -10.911 15.663 1.00 53.05 C ATOM 2432 O ILE A 153 -6.035 -11.484 15.983 1.00 42.35 O ATOM 2433 CB ILE A 153 -3.762 -9.032 16.902 1.00 4.42 C ATOM 2434 CG1 ILE A 153 -2.513 -8.652 17.744 1.00 14.40 C ATOM 2435 CG2 ILE A 153 -5.026 -8.421 17.536 1.00 34.51 C ATOM 2436 CD1 ILE A 153 -2.235 -7.146 17.839 1.00 2.15 C ATOM 0 H ILE A 153 -2.268 -10.778 15.565 1.00 51.04 H new ATOM 0 HA ILE A 153 -4.322 -10.929 17.699 1.00 25.44 H new ATOM 0 HB ILE A 153 -3.598 -8.626 15.904 1.00 4.42 H new ATOM 0 HG12 ILE A 153 -2.637 -9.049 18.752 1.00 14.40 H new ATOM 0 HG13 ILE A 153 -1.639 -9.142 17.314 1.00 14.40 H new ATOM 0 HG21 ILE A 153 -4.893 -7.345 17.649 1.00 34.51 H new ATOM 0 HG22 ILE A 153 -5.885 -8.615 16.894 1.00 34.51 H new ATOM 0 HG23 ILE A 153 -5.196 -8.870 18.515 1.00 34.51 H new ATOM 0 HD11 ILE A 153 -1.345 -6.978 18.446 1.00 2.15 H new ATOM 0 HD12 ILE A 153 -2.075 -6.742 16.839 1.00 2.15 H new ATOM 0 HD13 ILE A 153 -3.088 -6.647 18.300 1.00 2.15 H new ATOM 2448 N HIS A 154 -4.722 -10.573 14.393 1.00 73.33 N ATOM 2449 CA HIS A 154 -5.699 -10.650 13.300 1.00 32.11 C ATOM 2450 C HIS A 154 -5.235 -11.569 12.161 1.00 33.41 C ATOM 2451 O HIS A 154 -4.936 -11.105 11.059 1.00 13.21 O ATOM 2452 CB HIS A 154 -6.065 -9.240 12.818 1.00 74.40 C ATOM 2453 CG HIS A 154 -7.061 -8.570 13.721 1.00 65.53 C ATOM 2454 ND1 HIS A 154 -8.412 -8.842 13.779 1.00 53.02 N ATOM 2455 CD2 HIS A 154 -6.791 -7.572 14.613 1.00 70.50 C ATOM 2456 CE1 HIS A 154 -8.955 -8.018 14.687 1.00 24.51 C ATOM 2457 NE2 HIS A 154 -8.001 -7.255 15.239 1.00 23.43 N ATOM 0 H HIS A 154 -3.809 -10.233 14.092 1.00 73.33 H new ATOM 0 HA HIS A 154 -6.606 -11.114 13.687 1.00 32.11 H new ATOM 0 HB2 HIS A 154 -5.162 -8.632 12.762 1.00 74.40 H new ATOM 0 HB3 HIS A 154 -6.474 -9.298 11.809 1.00 74.40 H new ATOM 0 HD2 HIS A 154 -5.830 -7.116 14.799 1.00 70.50 H new ATOM 0 HE1 HIS A 154 -10.005 -7.975 14.936 1.00 24.51 H new ATOM 0 HE2 HIS A 154 -8.133 -6.568 15.981 1.00 23.43 H new ATOM 2465 N PRO A 155 -5.215 -12.892 12.376 1.00 72.32 N ATOM 2466 CA PRO A 155 -4.883 -13.855 11.337 1.00 54.45 C ATOM 2467 C PRO A 155 -5.906 -13.851 10.191 1.00 21.42 C ATOM 2468 O PRO A 155 -7.043 -13.353 10.353 1.00 42.21 O ATOM 2469 CB PRO A 155 -4.752 -15.198 12.058 1.00 25.43 C ATOM 2470 CG PRO A 155 -5.585 -15.047 13.329 1.00 23.54 C ATOM 2471 CD PRO A 155 -5.538 -13.552 13.631 1.00 52.04 C ATOM 0 HA PRO A 155 -3.950 -13.609 10.830 1.00 54.45 H new ATOM 0 HB2 PRO A 155 -5.121 -16.016 11.439 1.00 25.43 H new ATOM 0 HB3 PRO A 155 -3.711 -15.420 12.292 1.00 25.43 H new ATOM 0 HG2 PRO A 155 -6.608 -15.391 13.178 1.00 23.54 H new ATOM 0 HG3 PRO A 155 -5.170 -15.632 14.149 1.00 23.54 H new ATOM 0 HD2 PRO A 155 -6.495 -13.203 14.019 1.00 52.04 H new ATOM 0 HD3 PRO A 155 -4.788 -13.332 14.390 1.00 52.04 H new TER 2479 PRO A 155