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= 0.565 K(o=1,f=-0.49) USER MOD Set 1.2: A 142 ASN : amide:sc= 0.479 K(o=1,f=-0.49) USER MOD Set 2.1: A 74 GLN : amide:sc= -0.012 X(o=-0.012,f=0.081) USER MOD Set 2.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 55 THR OG1 : rot 180:sc= 0.799 USER MOD Set 3.2: A 58 LYS NZ :NH3+ -162:sc= 2.1 (180deg=1.16) USER MOD Set 4.1: A 21 THR OG1 : rot 22:sc= 1.2 USER MOD Set 4.2: A 22 SER OG : rot 89:sc= 0.126 USER MOD Single : A 1 GLY N :NH3+ -123:sc= -0.0703 (180deg=-1.9!) USER MOD Single : A 3 SER OG : rot 23:sc= 0.836 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00288 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.785 X(o=-0.78,f=-0.81) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0184) USER MOD Single : A 15 SER OG : rot -73:sc= 1.12 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 170:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 1.73 K(o=1.7,f=-5.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= 1.19 (180deg=0.622) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 58:sc= 0.771 USER MOD Single : A 48 THR OG1 : rot -29:sc= 0.442 USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0561) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0684 USER MOD Single : A 66 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 67 MET CE :methyl -153:sc= -0.217 (180deg=-1.86!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.512 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 92 LYS NZ :NH3+ -171:sc=-0.00575 (180deg=-0.0978) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -2.34 K(o=-2.3,f=-4.3!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 18:sc= 0.436 USER MOD Single : A 122 CYS SG : rot 131:sc= 0.111 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 30:sc= -0.347 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 ASN : amide:sc= 0.896 K(o=0.9,f=-9.1!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 HIS : no HD1:sc= -0.092 X(o=-0.092,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.772 -24.621 -13.181 1.00 53.14 N ATOM 2 CA GLY A 1 -28.074 -23.337 -13.024 1.00 2.53 C ATOM 3 C GLY A 1 -29.093 -22.280 -12.649 1.00 0.12 C ATOM 4 O GLY A 1 -29.366 -22.131 -11.466 1.00 61.13 O ATOM 0 H1 GLY A 1 -28.351 -25.325 -12.542 1.00 53.14 H new ATOM 0 H2 GLY A 1 -29.778 -24.500 -12.948 1.00 53.14 H new ATOM 0 H3 GLY A 1 -28.681 -24.948 -14.164 1.00 53.14 H new ATOM 0 HA2 GLY A 1 -27.307 -23.414 -12.253 1.00 2.53 H new ATOM 0 HA3 GLY A 1 -27.569 -23.065 -13.951 1.00 2.53 H new ATOM 8 N ASP A 2 -29.674 -21.626 -13.660 1.00 15.42 N ATOM 9 CA ASP A 2 -31.087 -21.232 -13.705 1.00 61.33 C ATOM 10 C ASP A 2 -31.530 -20.491 -12.439 1.00 23.32 C ATOM 11 O ASP A 2 -32.299 -20.981 -11.614 1.00 42.23 O ATOM 12 CB ASP A 2 -32.012 -22.407 -14.157 1.00 0.23 C ATOM 13 CG ASP A 2 -31.271 -23.703 -14.517 1.00 11.30 C ATOM 14 OD1 ASP A 2 -30.334 -23.670 -15.350 1.00 34.44 O ATOM 15 OD2 ASP A 2 -31.382 -24.693 -13.760 1.00 51.52 O ATOM 0 H ASP A 2 -29.159 -21.348 -14.495 1.00 15.42 H new ATOM 0 HA ASP A 2 -31.200 -20.487 -14.492 1.00 61.33 H new ATOM 0 HB2 ASP A 2 -32.723 -22.620 -13.358 1.00 0.23 H new ATOM 0 HB3 ASP A 2 -32.592 -22.084 -15.021 1.00 0.23 H new ATOM 20 N SER A 3 -31.004 -19.280 -12.271 1.00 31.13 N ATOM 21 CA SER A 3 -31.401 -18.304 -11.268 1.00 33.42 C ATOM 22 C SER A 3 -30.955 -16.928 -11.755 1.00 13.34 C ATOM 23 O SER A 3 -30.046 -16.837 -12.583 1.00 32.33 O ATOM 24 CB SER A 3 -30.698 -18.615 -9.944 1.00 1.22 C ATOM 25 OG SER A 3 -31.250 -19.774 -9.350 1.00 15.50 O ATOM 0 H SER A 3 -30.249 -18.938 -12.865 1.00 31.13 H new ATOM 0 HA SER A 3 -32.480 -18.333 -11.117 1.00 33.42 H new ATOM 0 HB2 SER A 3 -29.632 -18.761 -10.117 1.00 1.22 H new ATOM 0 HB3 SER A 3 -30.798 -17.768 -9.265 1.00 1.22 H new ATOM 0 HG SER A 3 -31.674 -20.325 -10.040 1.00 15.50 H new ATOM 31 N GLU A 4 -31.525 -15.870 -11.182 1.00 11.52 N ATOM 32 CA GLU A 4 -31.009 -14.514 -11.268 1.00 75.24 C ATOM 33 C GLU A 4 -31.223 -13.871 -9.896 1.00 23.41 C ATOM 34 O GLU A 4 -32.138 -14.262 -9.168 1.00 74.41 O ATOM 35 CB GLU A 4 -31.705 -13.755 -12.413 1.00 2.22 C ATOM 36 CG GLU A 4 -31.154 -12.330 -12.576 1.00 30.02 C ATOM 37 CD GLU A 4 -31.548 -11.711 -13.921 1.00 32.01 C ATOM 38 OE1 GLU A 4 -32.723 -11.302 -14.048 1.00 2.51 O ATOM 39 OE2 GLU A 4 -30.658 -11.644 -14.800 1.00 64.01 O ATOM 0 H GLU A 4 -32.381 -15.939 -10.632 1.00 11.52 H new ATOM 0 HA GLU A 4 -29.946 -14.492 -11.506 1.00 75.24 H new ATOM 0 HB2 GLU A 4 -31.573 -14.304 -13.345 1.00 2.22 H new ATOM 0 HB3 GLU A 4 -32.777 -13.710 -12.219 1.00 2.22 H new ATOM 0 HG2 GLU A 4 -31.526 -11.703 -11.766 1.00 30.02 H new ATOM 0 HG3 GLU A 4 -30.068 -12.350 -12.491 1.00 30.02 H new ATOM 46 N LEU A 5 -30.339 -12.948 -9.511 1.00 51.32 N ATOM 47 CA LEU A 5 -30.363 -12.207 -8.255 1.00 40.11 C ATOM 48 C LEU A 5 -29.791 -10.819 -8.551 1.00 74.24 C ATOM 49 O LEU A 5 -29.027 -10.666 -9.507 1.00 22.02 O ATOM 50 CB LEU A 5 -29.497 -12.881 -7.166 1.00 54.53 C ATOM 51 CG LEU A 5 -29.961 -14.276 -6.689 1.00 4.11 C ATOM 52 CD1 LEU A 5 -29.281 -15.420 -7.462 1.00 3.52 C ATOM 53 CD2 LEU A 5 -29.628 -14.471 -5.204 1.00 62.13 C ATOM 0 H LEU A 5 -29.548 -12.686 -10.099 1.00 51.32 H new ATOM 0 HA LEU A 5 -31.385 -12.167 -7.878 1.00 40.11 H new ATOM 0 HB2 LEU A 5 -28.479 -12.970 -7.545 1.00 54.53 H new ATOM 0 HB3 LEU A 5 -29.458 -12.219 -6.301 1.00 54.53 H new ATOM 0 HG LEU A 5 -31.036 -14.312 -6.865 1.00 4.11 H new ATOM 0 HD11 LEU A 5 -29.643 -16.378 -7.087 1.00 3.52 H new ATOM 0 HD12 LEU A 5 -29.517 -15.333 -8.523 1.00 3.52 H new ATOM 0 HD13 LEU A 5 -28.201 -15.361 -7.324 1.00 3.52 H new ATOM 0 HD21 LEU A 5 -29.961 -15.458 -4.883 1.00 62.13 H new ATOM 0 HD22 LEU A 5 -28.551 -14.386 -5.058 1.00 62.13 H new ATOM 0 HD23 LEU A 5 -30.135 -13.707 -4.614 1.00 62.13 H new ATOM 65 N THR A 6 -30.097 -9.829 -7.715 1.00 72.45 N ATOM 66 CA THR A 6 -29.591 -8.467 -7.846 1.00 13.14 C ATOM 67 C THR A 6 -28.473 -8.215 -6.825 1.00 14.50 C ATOM 68 O THR A 6 -28.275 -9.017 -5.904 1.00 55.53 O ATOM 69 CB THR A 6 -30.765 -7.489 -7.711 1.00 63.15 C ATOM 70 OG1 THR A 6 -31.527 -7.762 -6.548 1.00 53.45 O ATOM 71 CG2 THR A 6 -31.707 -7.567 -8.918 1.00 11.41 C ATOM 0 H THR A 6 -30.715 -9.955 -6.913 1.00 72.45 H new ATOM 0 HA THR A 6 -29.144 -8.313 -8.828 1.00 13.14 H new ATOM 0 HB THR A 6 -30.327 -6.493 -7.649 1.00 63.15 H new ATOM 0 HG1 THR A 6 -32.268 -7.123 -6.485 1.00 53.45 H new ATOM 0 HG21 THR A 6 -32.526 -6.860 -8.786 1.00 11.41 H new ATOM 0 HG22 THR A 6 -31.157 -7.320 -9.826 1.00 11.41 H new ATOM 0 HG23 THR A 6 -32.109 -8.577 -9.001 1.00 11.41 H new ATOM 79 N THR A 7 -27.740 -7.106 -6.975 1.00 63.24 N ATOM 80 CA THR A 7 -26.559 -6.789 -6.178 1.00 64.41 C ATOM 81 C THR A 7 -26.435 -5.276 -5.940 1.00 71.02 C ATOM 82 O THR A 7 -27.179 -4.474 -6.513 1.00 52.42 O ATOM 83 CB THR A 7 -25.306 -7.342 -6.885 1.00 74.03 C ATOM 84 OG1 THR A 7 -25.257 -6.924 -8.240 1.00 22.22 O ATOM 85 CG2 THR A 7 -25.217 -8.869 -6.832 1.00 1.30 C ATOM 0 H THR A 7 -27.959 -6.392 -7.669 1.00 63.24 H new ATOM 0 HA THR A 7 -26.656 -7.259 -5.200 1.00 64.41 H new ATOM 0 HB THR A 7 -24.455 -6.935 -6.339 1.00 74.03 H new ATOM 0 HG1 THR A 7 -24.452 -7.287 -8.665 1.00 22.22 H new ATOM 0 HG21 THR A 7 -24.314 -9.199 -7.346 1.00 1.30 H new ATOM 0 HG22 THR A 7 -25.183 -9.196 -5.793 1.00 1.30 H new ATOM 0 HG23 THR A 7 -26.091 -9.302 -7.319 1.00 1.30 H new ATOM 93 N GLN A 8 -25.500 -4.891 -5.067 1.00 63.35 N ATOM 94 CA GLN A 8 -25.163 -3.512 -4.729 1.00 21.44 C ATOM 95 C GLN A 8 -24.317 -2.882 -5.839 1.00 43.31 C ATOM 96 O GLN A 8 -23.778 -3.576 -6.707 1.00 52.15 O ATOM 97 CB GLN A 8 -24.381 -3.478 -3.399 1.00 41.42 C ATOM 98 CG GLN A 8 -25.215 -3.853 -2.164 1.00 44.11 C ATOM 99 CD GLN A 8 -25.495 -5.349 -2.105 1.00 60.44 C ATOM 100 OE1 GLN A 8 -24.570 -6.163 -2.103 1.00 15.44 O ATOM 101 NE2 GLN A 8 -26.747 -5.762 -2.107 1.00 24.43 N ATOM 0 H GLN A 8 -24.933 -5.566 -4.555 1.00 63.35 H new ATOM 0 HA GLN A 8 -26.086 -2.942 -4.623 1.00 21.44 H new ATOM 0 HB2 GLN A 8 -23.534 -4.160 -3.472 1.00 41.42 H new ATOM 0 HB3 GLN A 8 -23.973 -2.477 -3.257 1.00 41.42 H new ATOM 0 HG2 GLN A 8 -24.687 -3.546 -1.261 1.00 44.11 H new ATOM 0 HG3 GLN A 8 -26.158 -3.307 -2.183 1.00 44.11 H new ATOM 0 HE21 GLN A 8 -27.508 -5.083 -2.109 1.00 24.43 H new ATOM 0 HE22 GLN A 8 -26.955 -6.761 -2.107 1.00 24.43 H new ATOM 110 N ASP A 9 -24.132 -1.568 -5.748 1.00 62.12 N ATOM 111 CA ASP A 9 -23.505 -0.682 -6.730 1.00 22.23 C ATOM 112 C ASP A 9 -21.966 -0.722 -6.736 1.00 21.44 C ATOM 113 O ASP A 9 -21.313 0.129 -7.338 1.00 71.13 O ATOM 114 CB ASP A 9 -24.040 0.725 -6.427 1.00 11.13 C ATOM 115 CG ASP A 9 -23.853 1.728 -7.559 1.00 24.33 C ATOM 116 OD1 ASP A 9 -24.503 1.573 -8.617 1.00 53.34 O ATOM 117 OD2 ASP A 9 -23.228 2.787 -7.323 1.00 25.12 O ATOM 0 H ASP A 9 -24.440 -1.053 -4.923 1.00 62.12 H new ATOM 0 HA ASP A 9 -23.764 -1.014 -7.735 1.00 22.23 H new ATOM 0 HB2 ASP A 9 -25.102 0.654 -6.193 1.00 11.13 H new ATOM 0 HB3 ASP A 9 -23.542 1.105 -5.535 1.00 11.13 H new ATOM 122 N GLY A 10 -21.388 -1.696 -6.036 1.00 63.25 N ATOM 123 CA GLY A 10 -19.991 -1.828 -5.688 1.00 61.11 C ATOM 124 C GLY A 10 -19.938 -2.158 -4.201 1.00 61.43 C ATOM 125 O GLY A 10 -20.885 -1.896 -3.453 1.00 22.20 O ATOM 0 H GLY A 10 -21.938 -2.474 -5.671 1.00 63.25 H new ATOM 0 HA2 GLY A 10 -19.519 -2.615 -6.276 1.00 61.11 H new ATOM 0 HA3 GLY A 10 -19.451 -0.905 -5.899 1.00 61.11 H new ATOM 129 N GLU A 11 -18.872 -2.803 -3.743 1.00 22.32 N ATOM 130 CA GLU A 11 -18.501 -2.802 -2.335 1.00 12.52 C ATOM 131 C GLU A 11 -18.109 -1.364 -1.945 1.00 42.43 C ATOM 132 O GLU A 11 -17.858 -0.521 -2.808 1.00 12.24 O ATOM 133 CB GLU A 11 -17.354 -3.811 -2.056 1.00 53.55 C ATOM 134 CG GLU A 11 -17.355 -4.202 -0.583 1.00 75.32 C ATOM 135 CD GLU A 11 -16.645 -5.488 -0.110 1.00 34.24 C ATOM 136 OE1 GLU A 11 -15.594 -5.838 -0.684 1.00 33.20 O ATOM 137 OE2 GLU A 11 -17.009 -6.026 0.971 1.00 11.10 O ATOM 0 H GLU A 11 -18.241 -3.341 -4.337 1.00 22.32 H new ATOM 0 HA GLU A 11 -19.344 -3.125 -1.725 1.00 12.52 H new ATOM 0 HB2 GLU A 11 -17.479 -4.698 -2.677 1.00 53.55 H new ATOM 0 HB3 GLU A 11 -16.395 -3.368 -2.323 1.00 53.55 H new ATOM 0 HG2 GLU A 11 -16.916 -3.371 -0.030 1.00 75.32 H new ATOM 0 HG3 GLU A 11 -18.397 -4.277 -0.272 1.00 75.32 H new ATOM 144 N ASP A 12 -18.012 -1.076 -0.654 1.00 71.45 N ATOM 145 CA ASP A 12 -17.673 0.244 -0.135 1.00 61.42 C ATOM 146 C ASP A 12 -16.203 0.311 0.266 1.00 61.43 C ATOM 147 O ASP A 12 -15.563 -0.730 0.436 1.00 60.33 O ATOM 148 CB ASP A 12 -18.514 0.481 1.111 1.00 3.10 C ATOM 149 CG ASP A 12 -18.459 1.917 1.609 1.00 32.01 C ATOM 150 OD1 ASP A 12 -18.150 2.849 0.834 1.00 70.04 O ATOM 151 OD2 ASP A 12 -18.710 2.087 2.818 1.00 35.31 O ATOM 0 H ASP A 12 -18.170 -1.768 0.078 1.00 71.45 H new ATOM 0 HA ASP A 12 -17.863 0.992 -0.905 1.00 61.42 H new ATOM 0 HB2 ASP A 12 -19.550 0.217 0.898 1.00 3.10 H new ATOM 0 HB3 ASP A 12 -18.172 -0.185 1.904 1.00 3.10 H new ATOM 156 N PHE A 13 -15.707 1.523 0.511 1.00 4.52 N ATOM 157 CA PHE A 13 -14.408 1.792 1.095 1.00 12.21 C ATOM 158 C PHE A 13 -14.297 1.099 2.455 1.00 35.32 C ATOM 159 O PHE A 13 -13.494 0.184 2.623 1.00 63.01 O ATOM 160 CB PHE A 13 -14.163 3.307 1.183 1.00 5.31 C ATOM 161 CG PHE A 13 -12.691 3.671 1.172 1.00 11.10 C ATOM 162 CD1 PHE A 13 -11.955 3.723 2.371 1.00 14.43 C ATOM 163 CD2 PHE A 13 -12.053 3.963 -0.049 1.00 63.12 C ATOM 164 CE1 PHE A 13 -10.593 4.070 2.345 1.00 23.23 C ATOM 165 CE2 PHE A 13 -10.690 4.301 -0.073 1.00 1.50 C ATOM 166 CZ PHE A 13 -9.957 4.349 1.125 1.00 50.14 C ATOM 0 H PHE A 13 -16.226 2.374 0.297 1.00 4.52 H new ATOM 0 HA PHE A 13 -13.626 1.383 0.456 1.00 12.21 H new ATOM 0 HB2 PHE A 13 -14.659 3.799 0.347 1.00 5.31 H new ATOM 0 HB3 PHE A 13 -14.620 3.691 2.095 1.00 5.31 H new ATOM 0 HD1 PHE A 13 -12.437 3.496 3.311 1.00 14.43 H new ATOM 0 HD2 PHE A 13 -12.614 3.927 -0.971 1.00 63.12 H new ATOM 0 HE1 PHE A 13 -10.034 4.122 3.267 1.00 23.23 H new ATOM 0 HE2 PHE A 13 -10.205 4.524 -1.012 1.00 1.50 H new ATOM 0 HZ PHE A 13 -8.907 4.600 1.107 1.00 50.14 H new ATOM 176 N LYS A 14 -15.153 1.467 3.421 1.00 43.43 N ATOM 177 CA LYS A 14 -15.166 0.874 4.764 1.00 2.32 C ATOM 178 C LYS A 14 -15.216 -0.648 4.704 1.00 42.45 C ATOM 179 O LYS A 14 -14.412 -1.318 5.346 1.00 13.50 O ATOM 180 CB LYS A 14 -16.362 1.410 5.570 1.00 73.02 C ATOM 181 CG LYS A 14 -16.147 2.828 6.112 1.00 20.03 C ATOM 182 CD LYS A 14 -15.151 2.820 7.278 1.00 2.13 C ATOM 183 CE LYS A 14 -15.167 4.129 8.062 1.00 53.44 C ATOM 184 NZ LYS A 14 -14.838 5.293 7.222 1.00 64.45 N ATOM 0 H LYS A 14 -15.860 2.190 3.289 1.00 43.43 H new ATOM 0 HA LYS A 14 -14.239 1.159 5.262 1.00 2.32 H new ATOM 0 HB2 LYS A 14 -17.249 1.402 4.937 1.00 73.02 H new ATOM 0 HB3 LYS A 14 -16.559 0.737 6.404 1.00 73.02 H new ATOM 0 HG2 LYS A 14 -15.777 3.474 5.316 1.00 20.03 H new ATOM 0 HG3 LYS A 14 -17.099 3.244 6.443 1.00 20.03 H new ATOM 0 HD2 LYS A 14 -15.387 1.994 7.949 1.00 2.13 H new ATOM 0 HD3 LYS A 14 -14.147 2.641 6.894 1.00 2.13 H new ATOM 0 HE2 LYS A 14 -16.153 4.272 8.505 1.00 53.44 H new ATOM 0 HE3 LYS A 14 -14.454 4.065 8.884 1.00 53.44 H new ATOM 0 HZ1 LYS A 14 -14.779 6.144 7.816 1.00 64.45 H new ATOM 0 HZ2 LYS A 14 -13.924 5.135 6.752 1.00 64.45 H new ATOM 0 HZ3 LYS A 14 -15.579 5.423 6.504 1.00 64.45 H new ATOM 198 N SER A 15 -16.107 -1.186 3.870 1.00 22.03 N ATOM 199 CA SER A 15 -16.298 -2.616 3.675 1.00 44.41 C ATOM 200 C SER A 15 -14.980 -3.351 3.355 1.00 74.15 C ATOM 201 O SER A 15 -14.872 -4.540 3.664 1.00 33.43 O ATOM 202 CB SER A 15 -17.312 -2.795 2.540 1.00 44.44 C ATOM 203 OG SER A 15 -17.920 -4.071 2.503 1.00 24.04 O ATOM 0 H SER A 15 -16.732 -0.619 3.297 1.00 22.03 H new ATOM 0 HA SER A 15 -16.666 -3.058 4.601 1.00 44.41 H new ATOM 0 HB2 SER A 15 -18.089 -2.037 2.639 1.00 44.44 H new ATOM 0 HB3 SER A 15 -16.811 -2.616 1.589 1.00 44.44 H new ATOM 0 HG SER A 15 -17.274 -4.732 2.178 1.00 24.04 H new ATOM 209 N PHE A 16 -13.987 -2.694 2.734 1.00 24.43 N ATOM 210 CA PHE A 16 -12.668 -3.283 2.520 1.00 53.44 C ATOM 211 C PHE A 16 -11.677 -2.854 3.602 1.00 74.04 C ATOM 212 O PHE A 16 -10.936 -3.703 4.104 1.00 63.03 O ATOM 213 CB PHE A 16 -12.155 -2.999 1.096 1.00 32.14 C ATOM 214 CG PHE A 16 -11.471 -1.672 0.809 1.00 52.32 C ATOM 215 CD1 PHE A 16 -10.140 -1.460 1.224 1.00 60.32 C ATOM 216 CD2 PHE A 16 -12.116 -0.690 0.035 1.00 12.41 C ATOM 217 CE1 PHE A 16 -9.464 -0.279 0.880 1.00 54.45 C ATOM 218 CE2 PHE A 16 -11.421 0.473 -0.346 1.00 73.05 C ATOM 219 CZ PHE A 16 -10.105 0.686 0.089 1.00 64.04 C ATOM 0 H PHE A 16 -14.081 -1.746 2.371 1.00 24.43 H new ATOM 0 HA PHE A 16 -12.765 -4.365 2.608 1.00 53.44 H new ATOM 0 HB2 PHE A 16 -11.456 -3.793 0.834 1.00 32.14 H new ATOM 0 HB3 PHE A 16 -13.004 -3.085 0.417 1.00 32.14 H new ATOM 0 HD1 PHE A 16 -9.636 -2.213 1.812 1.00 60.32 H new ATOM 0 HD2 PHE A 16 -13.144 -0.829 -0.267 1.00 12.41 H new ATOM 0 HE1 PHE A 16 -8.453 -0.114 1.223 1.00 54.45 H new ATOM 0 HE2 PHE A 16 -11.904 1.205 -0.977 1.00 73.05 H new ATOM 0 HZ PHE A 16 -9.585 1.592 -0.185 1.00 64.04 H new ATOM 229 N LEU A 17 -11.650 -1.560 3.928 1.00 15.32 N ATOM 230 CA LEU A 17 -10.636 -0.910 4.749 1.00 13.51 C ATOM 231 C LEU A 17 -10.655 -1.492 6.159 1.00 11.30 C ATOM 232 O LEU A 17 -9.614 -1.866 6.689 1.00 13.31 O ATOM 233 CB LEU A 17 -10.903 0.609 4.743 1.00 63.25 C ATOM 234 CG LEU A 17 -9.712 1.520 5.091 1.00 51.42 C ATOM 235 CD1 LEU A 17 -9.154 1.323 6.497 1.00 24.03 C ATOM 236 CD2 LEU A 17 -8.572 1.397 4.076 1.00 42.42 C ATOM 0 H LEU A 17 -12.369 -0.910 3.610 1.00 15.32 H new ATOM 0 HA LEU A 17 -9.639 -1.088 4.345 1.00 13.51 H new ATOM 0 HB2 LEU A 17 -11.267 0.887 3.754 1.00 63.25 H new ATOM 0 HB3 LEU A 17 -11.708 0.816 5.448 1.00 63.25 H new ATOM 0 HG LEU A 17 -10.134 2.524 5.050 1.00 51.42 H new ATOM 0 HD11 LEU A 17 -8.319 2.005 6.656 1.00 24.03 H new ATOM 0 HD12 LEU A 17 -9.934 1.528 7.230 1.00 24.03 H new ATOM 0 HD13 LEU A 17 -8.810 0.295 6.611 1.00 24.03 H new ATOM 0 HD21 LEU A 17 -7.755 2.059 4.364 1.00 42.42 H new ATOM 0 HD22 LEU A 17 -8.215 0.368 4.053 1.00 42.42 H new ATOM 0 HD23 LEU A 17 -8.934 1.677 3.087 1.00 42.42 H new ATOM 248 N ASP A 18 -11.844 -1.648 6.736 1.00 12.20 N ATOM 249 CA ASP A 18 -12.027 -2.158 8.090 1.00 3.20 C ATOM 250 C ASP A 18 -11.429 -3.558 8.207 1.00 33.02 C ATOM 251 O ASP A 18 -10.604 -3.824 9.080 1.00 33.22 O ATOM 252 CB ASP A 18 -13.514 -2.183 8.453 1.00 52.41 C ATOM 253 CG ASP A 18 -14.083 -0.824 8.858 1.00 41.55 C ATOM 254 OD1 ASP A 18 -13.607 0.241 8.374 1.00 54.43 O ATOM 255 OD2 ASP A 18 -15.006 -0.820 9.697 1.00 54.43 O ATOM 0 H ASP A 18 -12.721 -1.420 6.267 1.00 12.20 H new ATOM 0 HA ASP A 18 -11.512 -1.497 8.787 1.00 3.20 H new ATOM 0 HB2 ASP A 18 -14.078 -2.561 7.600 1.00 52.41 H new ATOM 0 HB3 ASP A 18 -13.665 -2.886 9.272 1.00 52.41 H new ATOM 260 N LYS A 19 -11.795 -4.461 7.295 1.00 23.32 N ATOM 261 CA LYS A 19 -11.262 -5.811 7.266 1.00 24.21 C ATOM 262 C LYS A 19 -9.765 -5.808 6.997 1.00 61.44 C ATOM 263 O LYS A 19 -9.060 -6.651 7.541 1.00 4.32 O ATOM 264 CB LYS A 19 -12.004 -6.598 6.189 1.00 14.54 C ATOM 265 CG LYS A 19 -13.430 -6.904 6.645 1.00 62.02 C ATOM 266 CD LYS A 19 -14.160 -7.737 5.594 1.00 13.42 C ATOM 267 CE LYS A 19 -15.637 -7.766 5.973 1.00 54.54 C ATOM 268 NZ LYS A 19 -16.456 -8.501 4.997 1.00 11.51 N ATOM 0 H LYS A 19 -12.472 -4.269 6.556 1.00 23.32 H new ATOM 0 HA LYS A 19 -11.410 -6.280 8.239 1.00 24.21 H new ATOM 0 HB2 LYS A 19 -12.026 -6.026 5.261 1.00 14.54 H new ATOM 0 HB3 LYS A 19 -11.475 -7.527 5.978 1.00 14.54 H new ATOM 0 HG2 LYS A 19 -13.408 -7.442 7.593 1.00 62.02 H new ATOM 0 HG3 LYS A 19 -13.970 -5.973 6.819 1.00 62.02 H new ATOM 0 HD2 LYS A 19 -14.028 -7.304 4.603 1.00 13.42 H new ATOM 0 HD3 LYS A 19 -13.754 -8.748 5.557 1.00 13.42 H new ATOM 0 HE2 LYS A 19 -15.748 -8.226 6.955 1.00 54.54 H new ATOM 0 HE3 LYS A 19 -16.007 -6.744 6.057 1.00 54.54 H new ATOM 0 HZ1 LYS A 19 -17.451 -8.491 5.301 1.00 11.51 H new ATOM 0 HZ2 LYS A 19 -16.374 -8.048 4.064 1.00 11.51 H new ATOM 0 HZ3 LYS A 19 -16.123 -9.484 4.935 1.00 11.51 H new ATOM 282 N PHE A 20 -9.274 -4.871 6.187 1.00 22.01 N ATOM 283 CA PHE A 20 -7.857 -4.713 5.928 1.00 4.51 C ATOM 284 C PHE A 20 -7.118 -4.380 7.238 1.00 23.32 C ATOM 285 O PHE A 20 -6.074 -4.979 7.505 1.00 61.45 O ATOM 286 CB PHE A 20 -7.664 -3.687 4.792 1.00 41.52 C ATOM 287 CG PHE A 20 -6.283 -3.085 4.714 1.00 54.22 C ATOM 288 CD1 PHE A 20 -5.929 -2.069 5.619 1.00 4.21 C ATOM 289 CD2 PHE A 20 -5.347 -3.562 3.780 1.00 42.43 C ATOM 290 CE1 PHE A 20 -4.610 -1.606 5.670 1.00 40.42 C ATOM 291 CE2 PHE A 20 -4.032 -3.075 3.813 1.00 60.34 C ATOM 292 CZ PHE A 20 -3.663 -2.125 4.780 1.00 61.04 C ATOM 0 H PHE A 20 -9.859 -4.198 5.692 1.00 22.01 H new ATOM 0 HA PHE A 20 -7.408 -5.642 5.576 1.00 4.51 H new ATOM 0 HB2 PHE A 20 -7.889 -4.171 3.842 1.00 41.52 H new ATOM 0 HB3 PHE A 20 -8.389 -2.883 4.920 1.00 41.52 H new ATOM 0 HD1 PHE A 20 -6.675 -1.646 6.275 1.00 4.21 H new ATOM 0 HD2 PHE A 20 -5.638 -4.297 3.044 1.00 42.43 H new ATOM 0 HE1 PHE A 20 -4.325 -0.854 6.391 1.00 40.42 H new ATOM 0 HE2 PHE A 20 -3.305 -3.429 3.097 1.00 60.34 H new ATOM 0 HZ PHE A 20 -2.637 -1.792 4.837 1.00 61.04 H new ATOM 302 N THR A 21 -7.640 -3.483 8.080 1.00 21.34 N ATOM 303 CA THR A 21 -7.030 -3.152 9.372 1.00 35.21 C ATOM 304 C THR A 21 -7.151 -4.264 10.422 1.00 51.35 C ATOM 305 O THR A 21 -6.412 -4.237 11.412 1.00 0.31 O ATOM 306 CB THR A 21 -7.607 -1.829 9.899 1.00 34.22 C ATOM 307 OG1 THR A 21 -9.011 -1.716 9.740 1.00 21.33 O ATOM 308 CG2 THR A 21 -6.987 -0.633 9.167 1.00 64.13 C ATOM 0 H THR A 21 -8.497 -2.966 7.885 1.00 21.34 H new ATOM 0 HA THR A 21 -5.961 -3.042 9.192 1.00 35.21 H new ATOM 0 HB THR A 21 -7.367 -1.828 10.962 1.00 34.22 H new ATOM 0 HG1 THR A 21 -9.402 -2.609 9.645 1.00 21.33 H new ATOM 0 HG21 THR A 21 -7.411 0.292 9.557 1.00 64.13 H new ATOM 0 HG22 THR A 21 -5.908 -0.631 9.322 1.00 64.13 H new ATOM 0 HG23 THR A 21 -7.200 -0.708 8.101 1.00 64.13 H new ATOM 316 N SER A 22 -8.052 -5.231 10.225 1.00 42.23 N ATOM 317 CA SER A 22 -8.480 -6.117 11.301 1.00 61.25 C ATOM 318 C SER A 22 -8.463 -7.599 10.898 1.00 52.11 C ATOM 319 O SER A 22 -9.082 -8.436 11.564 1.00 43.22 O ATOM 320 CB SER A 22 -9.844 -5.633 11.803 1.00 15.30 C ATOM 321 OG SER A 22 -9.833 -4.237 12.045 1.00 55.32 O ATOM 0 H SER A 22 -8.498 -5.417 9.326 1.00 42.23 H new ATOM 0 HA SER A 22 -7.765 -6.067 12.122 1.00 61.25 H new ATOM 0 HB2 SER A 22 -10.611 -5.871 11.067 1.00 15.30 H new ATOM 0 HB3 SER A 22 -10.106 -6.162 12.719 1.00 15.30 H new ATOM 0 HG SER A 22 -10.075 -3.761 11.223 1.00 55.32 H new ATOM 327 N SER A 23 -7.780 -7.954 9.805 1.00 54.13 N ATOM 328 CA SER A 23 -7.614 -9.324 9.339 1.00 22.44 C ATOM 329 C SER A 23 -6.439 -9.360 8.348 1.00 44.11 C ATOM 330 O SER A 23 -6.595 -9.015 7.173 1.00 51.33 O ATOM 331 CB SER A 23 -8.942 -9.785 8.711 1.00 54.32 C ATOM 332 OG SER A 23 -9.020 -11.190 8.545 1.00 2.40 O ATOM 0 H SER A 23 -7.316 -7.271 9.206 1.00 54.13 H new ATOM 0 HA SER A 23 -7.378 -10.010 10.153 1.00 22.44 H new ATOM 0 HB2 SER A 23 -9.769 -9.453 9.339 1.00 54.32 H new ATOM 0 HB3 SER A 23 -9.065 -9.303 7.741 1.00 54.32 H new ATOM 0 HG SER A 23 -9.934 -11.440 8.296 1.00 2.40 H new ATOM 338 N ALA A 24 -5.246 -9.761 8.809 1.00 33.14 N ATOM 339 CA ALA A 24 -4.035 -9.791 7.990 1.00 22.32 C ATOM 340 C ALA A 24 -4.252 -10.617 6.717 1.00 54.13 C ATOM 341 O ALA A 24 -3.971 -10.123 5.622 1.00 75.25 O ATOM 342 CB ALA A 24 -2.851 -10.327 8.803 1.00 71.21 C ATOM 0 H ALA A 24 -5.098 -10.075 9.768 1.00 33.14 H new ATOM 0 HA ALA A 24 -3.803 -8.771 7.684 1.00 22.32 H new ATOM 0 HB1 ALA A 24 -1.958 -10.343 8.178 1.00 71.21 H new ATOM 0 HB2 ALA A 24 -2.680 -9.682 9.665 1.00 71.21 H new ATOM 0 HB3 ALA A 24 -3.072 -11.338 9.145 1.00 71.21 H new ATOM 348 N ALA A 25 -4.771 -11.849 6.823 1.00 42.15 N ATOM 349 CA ALA A 25 -4.906 -12.736 5.663 1.00 0.50 C ATOM 350 C ALA A 25 -5.841 -12.166 4.591 1.00 41.45 C ATOM 351 O ALA A 25 -5.728 -12.531 3.419 1.00 13.43 O ATOM 352 CB ALA A 25 -5.421 -14.109 6.082 1.00 35.41 C ATOM 0 H ALA A 25 -5.103 -12.251 7.699 1.00 42.15 H new ATOM 0 HA ALA A 25 -3.907 -12.825 5.236 1.00 0.50 H new ATOM 0 HB1 ALA A 25 -5.512 -14.747 5.203 1.00 35.41 H new ATOM 0 HB2 ALA A 25 -4.723 -14.560 6.787 1.00 35.41 H new ATOM 0 HB3 ALA A 25 -6.397 -14.003 6.556 1.00 35.41 H new ATOM 358 N PHE A 26 -6.765 -11.286 4.981 1.00 15.41 N ATOM 359 CA PHE A 26 -7.779 -10.704 4.111 1.00 74.01 C ATOM 360 C PHE A 26 -7.152 -9.733 3.114 1.00 74.45 C ATOM 361 O PHE A 26 -7.599 -9.659 1.969 1.00 33.01 O ATOM 362 CB PHE A 26 -8.849 -10.000 4.957 1.00 1.41 C ATOM 363 CG PHE A 26 -10.277 -10.391 4.637 1.00 42.25 C ATOM 364 CD1 PHE A 26 -10.930 -9.849 3.513 1.00 35.11 C ATOM 365 CD2 PHE A 26 -10.959 -11.289 5.481 1.00 74.23 C ATOM 366 CE1 PHE A 26 -12.266 -10.200 3.243 1.00 51.24 C ATOM 367 CE2 PHE A 26 -12.294 -11.633 5.213 1.00 54.24 C ATOM 368 CZ PHE A 26 -12.949 -11.084 4.097 1.00 40.12 C ATOM 0 H PHE A 26 -6.827 -10.951 5.942 1.00 15.41 H new ATOM 0 HA PHE A 26 -8.250 -11.505 3.541 1.00 74.01 H new ATOM 0 HB2 PHE A 26 -8.657 -10.212 6.009 1.00 1.41 H new ATOM 0 HB3 PHE A 26 -8.745 -8.923 4.825 1.00 1.41 H new ATOM 0 HD1 PHE A 26 -10.407 -9.166 2.860 1.00 35.11 H new ATOM 0 HD2 PHE A 26 -10.454 -11.714 6.336 1.00 74.23 H new ATOM 0 HE1 PHE A 26 -12.767 -9.790 2.379 1.00 51.24 H new ATOM 0 HE2 PHE A 26 -12.817 -12.319 5.864 1.00 54.24 H new ATOM 0 HZ PHE A 26 -13.978 -11.342 3.895 1.00 40.12 H new ATOM 378 N GLN A 27 -6.102 -9.011 3.527 1.00 61.42 N ATOM 379 CA GLN A 27 -5.456 -8.001 2.696 1.00 14.12 C ATOM 380 C GLN A 27 -4.944 -8.655 1.404 1.00 40.55 C ATOM 381 O GLN A 27 -5.248 -8.175 0.311 1.00 14.51 O ATOM 382 CB GLN A 27 -4.314 -7.299 3.447 1.00 22.13 C ATOM 383 CG GLN A 27 -4.593 -6.801 4.880 1.00 44.41 C ATOM 384 CD GLN A 27 -3.328 -6.276 5.576 1.00 61.12 C ATOM 385 OE1 GLN A 27 -2.212 -6.532 5.129 1.00 22.23 O ATOM 386 NE2 GLN A 27 -3.472 -5.612 6.705 1.00 40.31 N ATOM 0 H GLN A 27 -5.680 -9.115 4.450 1.00 61.42 H new ATOM 0 HA GLN A 27 -6.190 -7.235 2.444 1.00 14.12 H new ATOM 0 HB2 GLN A 27 -3.469 -7.987 3.490 1.00 22.13 H new ATOM 0 HB3 GLN A 27 -3.998 -6.443 2.851 1.00 22.13 H new ATOM 0 HG2 GLN A 27 -5.341 -6.009 4.847 1.00 44.41 H new ATOM 0 HG3 GLN A 27 -5.016 -7.615 5.468 1.00 44.41 H new ATOM 0 HE21 GLN A 27 -4.406 -5.408 7.061 1.00 40.31 H new ATOM 0 HE22 GLN A 27 -2.650 -5.302 7.223 1.00 40.31 H new ATOM 395 N TYR A 28 -4.235 -9.787 1.531 1.00 62.44 N ATOM 396 CA TYR A 28 -3.622 -10.551 0.438 1.00 14.14 C ATOM 397 C TYR A 28 -4.577 -10.815 -0.728 1.00 35.32 C ATOM 398 O TYR A 28 -4.188 -10.735 -1.892 1.00 54.51 O ATOM 399 CB TYR A 28 -3.143 -11.916 0.958 1.00 60.43 C ATOM 400 CG TYR A 28 -1.929 -11.900 1.867 1.00 35.34 C ATOM 401 CD1 TYR A 28 -0.649 -12.029 1.307 1.00 11.11 C ATOM 402 CD2 TYR A 28 -2.068 -11.807 3.264 1.00 51.11 C ATOM 403 CE1 TYR A 28 0.492 -11.983 2.123 1.00 74.01 C ATOM 404 CE2 TYR A 28 -0.927 -11.782 4.096 1.00 42.21 C ATOM 405 CZ TYR A 28 0.362 -11.809 3.519 1.00 34.01 C ATOM 406 OH TYR A 28 1.464 -11.724 4.309 1.00 62.05 O ATOM 0 H TYR A 28 -4.067 -10.213 2.442 1.00 62.44 H new ATOM 0 HA TYR A 28 -2.796 -9.940 0.075 1.00 14.14 H new ATOM 0 HB2 TYR A 28 -3.967 -12.386 1.495 1.00 60.43 H new ATOM 0 HB3 TYR A 28 -2.920 -12.550 0.100 1.00 60.43 H new ATOM 0 HD1 TYR A 28 -0.541 -12.165 0.241 1.00 11.11 H new ATOM 0 HD2 TYR A 28 -3.053 -11.754 3.703 1.00 51.11 H new ATOM 0 HE1 TYR A 28 1.473 -12.081 1.682 1.00 74.01 H new ATOM 0 HE2 TYR A 28 -1.040 -11.742 5.169 1.00 42.21 H new ATOM 0 HH TYR A 28 1.189 -11.604 5.242 1.00 62.05 H new ATOM 416 N THR A 29 -5.828 -11.151 -0.426 1.00 75.23 N ATOM 417 CA THR A 29 -6.790 -11.701 -1.374 1.00 61.05 C ATOM 418 C THR A 29 -7.725 -10.575 -1.872 1.00 35.31 C ATOM 419 O THR A 29 -8.927 -10.756 -2.082 1.00 32.40 O ATOM 420 CB THR A 29 -7.384 -12.969 -0.714 1.00 75.22 C ATOM 421 OG1 THR A 29 -8.167 -13.746 -1.592 1.00 24.21 O ATOM 422 CG2 THR A 29 -8.149 -12.712 0.589 1.00 53.11 C ATOM 0 H THR A 29 -6.211 -11.045 0.513 1.00 75.23 H new ATOM 0 HA THR A 29 -6.379 -12.059 -2.318 1.00 61.05 H new ATOM 0 HB THR A 29 -6.497 -13.545 -0.451 1.00 75.22 H new ATOM 0 HG1 THR A 29 -8.511 -14.531 -1.116 1.00 24.21 H new ATOM 0 HG21 THR A 29 -8.529 -13.656 0.980 1.00 53.11 H new ATOM 0 HG22 THR A 29 -7.480 -12.260 1.321 1.00 53.11 H new ATOM 0 HG23 THR A 29 -8.983 -12.038 0.394 1.00 53.11 H new ATOM 430 N ARG A 30 -7.180 -9.359 -2.028 1.00 35.44 N ATOM 431 CA ARG A 30 -7.861 -8.161 -2.520 1.00 44.23 C ATOM 432 C ARG A 30 -6.844 -7.242 -3.198 1.00 3.23 C ATOM 433 O ARG A 30 -6.942 -6.026 -3.076 1.00 61.32 O ATOM 434 CB ARG A 30 -8.597 -7.494 -1.341 1.00 11.40 C ATOM 435 CG ARG A 30 -9.822 -6.710 -1.834 1.00 14.11 C ATOM 436 CD ARG A 30 -10.318 -5.701 -0.795 1.00 24.44 C ATOM 437 NE ARG A 30 -10.850 -6.341 0.423 1.00 35.11 N ATOM 438 CZ ARG A 30 -12.130 -6.637 0.682 1.00 14.44 C ATOM 439 NH1 ARG A 30 -13.036 -6.506 -0.272 1.00 1.40 N ATOM 440 NH2 ARG A 30 -12.505 -7.024 1.894 1.00 22.20 N ATOM 0 H ARG A 30 -6.202 -9.180 -1.802 1.00 35.44 H new ATOM 0 HA ARG A 30 -8.609 -8.407 -3.273 1.00 44.23 H new ATOM 0 HB2 ARG A 30 -8.910 -8.254 -0.626 1.00 11.40 H new ATOM 0 HB3 ARG A 30 -7.918 -6.823 -0.816 1.00 11.40 H new ATOM 0 HG2 ARG A 30 -9.569 -6.186 -2.756 1.00 14.11 H new ATOM 0 HG3 ARG A 30 -10.625 -7.407 -2.074 1.00 14.11 H new ATOM 0 HD2 ARG A 30 -9.498 -5.037 -0.521 1.00 24.44 H new ATOM 0 HD3 ARG A 30 -11.095 -5.080 -1.242 1.00 24.44 H new ATOM 0 HE ARG A 30 -10.171 -6.584 1.144 1.00 35.11 H new ATOM 0 HH11 ARG A 30 -12.758 -6.181 -1.198 1.00 1.40 H new ATOM 0 HH12 ARG A 30 -14.013 -6.730 -0.082 1.00 1.40 H new ATOM 0 HH21 ARG A 30 -11.815 -7.099 2.642 1.00 22.20 H new ATOM 0 HH22 ARG A 30 -13.483 -7.247 2.078 1.00 22.20 H new ATOM 454 N VAL A 31 -5.859 -7.793 -3.906 1.00 51.23 N ATOM 455 CA VAL A 31 -4.774 -7.023 -4.513 1.00 13.13 C ATOM 456 C VAL A 31 -4.837 -7.244 -6.027 1.00 20.04 C ATOM 457 O VAL A 31 -4.930 -8.381 -6.485 1.00 34.23 O ATOM 458 CB VAL A 31 -3.422 -7.425 -3.888 1.00 32.22 C ATOM 459 CG1 VAL A 31 -2.297 -6.518 -4.382 1.00 62.15 C ATOM 460 CG2 VAL A 31 -3.414 -7.398 -2.339 1.00 53.33 C ATOM 0 H VAL A 31 -5.791 -8.796 -4.076 1.00 51.23 H new ATOM 0 HA VAL A 31 -4.881 -5.956 -4.320 1.00 13.13 H new ATOM 0 HB VAL A 31 -3.263 -8.455 -4.208 1.00 32.22 H new ATOM 0 HG11 VAL A 31 -1.356 -6.824 -3.925 1.00 62.15 H new ATOM 0 HG12 VAL A 31 -2.217 -6.596 -5.466 1.00 62.15 H new ATOM 0 HG13 VAL A 31 -2.515 -5.486 -4.107 1.00 62.15 H new ATOM 0 HG21 VAL A 31 -2.430 -7.692 -1.975 1.00 53.33 H new ATOM 0 HG22 VAL A 31 -3.643 -6.391 -1.991 1.00 53.33 H new ATOM 0 HG23 VAL A 31 -4.164 -8.092 -1.959 1.00 53.33 H new ATOM 470 N LYS A 32 -4.833 -6.158 -6.794 1.00 25.13 N ATOM 471 CA LYS A 32 -4.793 -6.075 -8.253 1.00 45.12 C ATOM 472 C LYS A 32 -3.404 -6.460 -8.744 1.00 65.02 C ATOM 473 O LYS A 32 -2.453 -6.445 -7.960 1.00 5.11 O ATOM 474 CB LYS A 32 -5.115 -4.615 -8.628 1.00 63.04 C ATOM 475 CG LYS A 32 -6.263 -4.501 -9.629 1.00 31.42 C ATOM 476 CD LYS A 32 -5.828 -4.588 -11.098 1.00 21.21 C ATOM 477 CE LYS A 32 -6.808 -3.808 -11.993 1.00 12.52 C ATOM 478 NZ LYS A 32 -6.250 -3.488 -13.325 1.00 21.43 N ATOM 0 H LYS A 32 -4.860 -5.229 -6.373 1.00 25.13 H new ATOM 0 HA LYS A 32 -5.512 -6.753 -8.713 1.00 45.12 H new ATOM 0 HB2 LYS A 32 -5.370 -4.060 -7.725 1.00 63.04 H new ATOM 0 HB3 LYS A 32 -4.225 -4.148 -9.048 1.00 63.04 H new ATOM 0 HG2 LYS A 32 -6.985 -5.292 -9.428 1.00 31.42 H new ATOM 0 HG3 LYS A 32 -6.777 -3.553 -9.469 1.00 31.42 H new ATOM 0 HD2 LYS A 32 -4.822 -4.184 -11.211 1.00 21.21 H new ATOM 0 HD3 LYS A 32 -5.790 -5.631 -11.412 1.00 21.21 H new ATOM 0 HE2 LYS A 32 -7.719 -4.392 -12.119 1.00 12.52 H new ATOM 0 HE3 LYS A 32 -7.090 -2.882 -11.492 1.00 12.52 H new ATOM 0 HZ1 LYS A 32 -6.956 -2.963 -13.880 1.00 21.43 H new ATOM 0 HZ2 LYS A 32 -5.395 -2.906 -13.213 1.00 21.43 H new ATOM 0 HZ3 LYS A 32 -6.006 -4.369 -13.820 1.00 21.43 H new ATOM 492 N PHE A 33 -3.252 -6.719 -10.043 1.00 63.25 N ATOM 493 CA PHE A 33 -1.927 -6.824 -10.627 1.00 24.43 C ATOM 494 C PHE A 33 -1.926 -6.442 -12.115 1.00 45.31 C ATOM 495 O PHE A 33 -2.944 -6.640 -12.785 1.00 44.21 O ATOM 496 CB PHE A 33 -1.380 -8.244 -10.386 1.00 5.40 C ATOM 497 CG PHE A 33 0.109 -8.261 -10.123 1.00 34.40 C ATOM 498 CD1 PHE A 33 0.646 -7.452 -9.100 1.00 44.31 C ATOM 499 CD2 PHE A 33 0.967 -9.036 -10.926 1.00 13.21 C ATOM 500 CE1 PHE A 33 2.032 -7.358 -8.943 1.00 41.34 C ATOM 501 CE2 PHE A 33 2.356 -8.978 -10.731 1.00 50.12 C ATOM 502 CZ PHE A 33 2.887 -8.123 -9.751 1.00 74.34 C ATOM 0 H PHE A 33 -4.022 -6.857 -10.698 1.00 63.25 H new ATOM 0 HA PHE A 33 -1.264 -6.109 -10.139 1.00 24.43 H new ATOM 0 HB2 PHE A 33 -1.899 -8.689 -9.538 1.00 5.40 H new ATOM 0 HB3 PHE A 33 -1.598 -8.865 -11.255 1.00 5.40 H new ATOM 0 HD1 PHE A 33 -0.012 -6.907 -8.440 1.00 44.31 H new ATOM 0 HD2 PHE A 33 0.556 -9.676 -11.693 1.00 13.21 H new ATOM 0 HE1 PHE A 33 2.446 -6.695 -8.198 1.00 41.34 H new ATOM 0 HE2 PHE A 33 3.014 -9.588 -11.332 1.00 50.12 H new ATOM 0 HZ PHE A 33 3.957 -8.054 -9.619 1.00 74.34 H new ATOM 512 N PRO A 34 -0.800 -5.947 -12.673 1.00 70.34 N ATOM 513 CA PRO A 34 0.378 -5.439 -11.967 1.00 24.23 C ATOM 514 C PRO A 34 0.025 -4.212 -11.113 1.00 52.51 C ATOM 515 O PRO A 34 -1.109 -3.725 -11.137 1.00 31.13 O ATOM 516 CB PRO A 34 1.417 -5.136 -13.050 1.00 72.42 C ATOM 517 CG PRO A 34 0.567 -4.813 -14.269 1.00 14.42 C ATOM 518 CD PRO A 34 -0.658 -5.705 -14.101 1.00 74.42 C ATOM 0 HA PRO A 34 0.776 -6.166 -11.259 1.00 24.23 H new ATOM 0 HB2 PRO A 34 2.056 -4.298 -12.771 1.00 72.42 H new ATOM 0 HB3 PRO A 34 2.071 -5.989 -13.230 1.00 72.42 H new ATOM 0 HG2 PRO A 34 0.293 -3.758 -14.299 1.00 14.42 H new ATOM 0 HG3 PRO A 34 1.097 -5.031 -15.196 1.00 14.42 H new ATOM 0 HD2 PRO A 34 -1.548 -5.221 -14.503 1.00 74.42 H new ATOM 0 HD3 PRO A 34 -0.533 -6.642 -14.643 1.00 74.42 H new ATOM 526 N LEU A 35 0.974 -3.723 -10.317 1.00 24.42 N ATOM 527 CA LEU A 35 0.820 -2.503 -9.523 1.00 12.21 C ATOM 528 C LEU A 35 1.429 -1.318 -10.261 1.00 71.11 C ATOM 529 O LEU A 35 1.915 -1.482 -11.386 1.00 23.40 O ATOM 530 CB LEU A 35 1.399 -2.685 -8.120 1.00 65.31 C ATOM 531 CG LEU A 35 0.690 -3.765 -7.287 1.00 71.03 C ATOM 532 CD1 LEU A 35 1.390 -3.894 -5.949 1.00 11.43 C ATOM 533 CD2 LEU A 35 -0.805 -3.571 -7.064 1.00 5.44 C ATOM 0 H LEU A 35 1.885 -4.168 -10.203 1.00 24.42 H new ATOM 0 HA LEU A 35 -0.242 -2.293 -9.392 1.00 12.21 H new ATOM 0 HB2 LEU A 35 2.455 -2.941 -8.204 1.00 65.31 H new ATOM 0 HB3 LEU A 35 1.342 -1.735 -7.588 1.00 65.31 H new ATOM 0 HG LEU A 35 0.761 -4.675 -7.883 1.00 71.03 H new ATOM 0 HD11 LEU A 35 0.894 -4.658 -5.351 1.00 11.43 H new ATOM 0 HD12 LEU A 35 2.430 -4.177 -6.109 1.00 11.43 H new ATOM 0 HD13 LEU A 35 1.350 -2.940 -5.424 1.00 11.43 H new ATOM 0 HD21 LEU A 35 -1.193 -4.394 -6.464 1.00 5.44 H new ATOM 0 HD22 LEU A 35 -0.976 -2.629 -6.542 1.00 5.44 H new ATOM 0 HD23 LEU A 35 -1.317 -3.550 -8.026 1.00 5.44 H new ATOM 545 N LYS A 36 1.322 -0.114 -9.699 1.00 74.04 N ATOM 546 CA LYS A 36 1.798 1.086 -10.389 1.00 3.10 C ATOM 547 C LYS A 36 3.313 1.124 -10.290 1.00 12.40 C ATOM 548 O LYS A 36 3.994 1.019 -11.310 1.00 45.42 O ATOM 549 CB LYS A 36 1.202 2.381 -9.814 1.00 14.21 C ATOM 550 CG LYS A 36 -0.300 2.370 -9.544 1.00 65.25 C ATOM 551 CD LYS A 36 -1.115 2.115 -10.823 1.00 25.23 C ATOM 552 CE LYS A 36 -2.539 2.675 -10.742 1.00 45.34 C ATOM 553 NZ LYS A 36 -2.556 4.150 -10.653 1.00 10.42 N ATOM 0 H LYS A 36 0.915 0.056 -8.779 1.00 74.04 H new ATOM 0 HA LYS A 36 1.473 1.032 -11.428 1.00 3.10 H new ATOM 0 HB2 LYS A 36 1.716 2.610 -8.880 1.00 14.21 H new ATOM 0 HB3 LYS A 36 1.420 3.195 -10.506 1.00 14.21 H new ATOM 0 HG2 LYS A 36 -0.530 1.599 -8.808 1.00 65.25 H new ATOM 0 HG3 LYS A 36 -0.597 3.325 -9.110 1.00 65.25 H new ATOM 0 HD2 LYS A 36 -0.600 2.565 -11.672 1.00 25.23 H new ATOM 0 HD3 LYS A 36 -1.162 1.042 -11.011 1.00 25.23 H new ATOM 0 HE2 LYS A 36 -3.102 2.359 -11.620 1.00 45.34 H new ATOM 0 HE3 LYS A 36 -3.044 2.255 -9.872 1.00 45.34 H new ATOM 0 HZ1 LYS A 36 -3.417 4.515 -11.109 1.00 10.42 H new ATOM 0 HZ2 LYS A 36 -2.544 4.438 -9.654 1.00 10.42 H new ATOM 0 HZ3 LYS A 36 -1.719 4.536 -11.134 1.00 10.42 H new ATOM 567 N THR A 37 3.816 1.218 -9.066 1.00 14.34 N ATOM 568 CA THR A 37 5.229 1.377 -8.740 1.00 43.33 C ATOM 569 C THR A 37 5.777 0.029 -8.255 1.00 70.42 C ATOM 570 O THR A 37 5.667 -0.279 -7.060 1.00 11.50 O ATOM 571 CB THR A 37 5.488 2.589 -7.822 1.00 53.23 C ATOM 572 OG1 THR A 37 6.821 2.606 -7.356 1.00 12.13 O ATOM 573 CG2 THR A 37 4.544 2.719 -6.632 1.00 63.14 C ATOM 0 H THR A 37 3.225 1.184 -8.236 1.00 14.34 H new ATOM 0 HA THR A 37 5.802 1.638 -9.629 1.00 43.33 H new ATOM 0 HB THR A 37 5.293 3.447 -8.465 1.00 53.23 H new ATOM 0 HG1 THR A 37 6.956 3.386 -6.778 1.00 12.13 H new ATOM 0 HG21 THR A 37 4.811 3.602 -6.051 1.00 63.14 H new ATOM 0 HG22 THR A 37 3.519 2.816 -6.990 1.00 63.14 H new ATOM 0 HG23 THR A 37 4.627 1.832 -6.003 1.00 63.14 H new ATOM 581 N PRO A 38 6.241 -0.870 -9.143 1.00 45.34 N ATOM 582 CA PRO A 38 6.869 -2.109 -8.702 1.00 61.21 C ATOM 583 C PRO A 38 8.091 -1.798 -7.827 1.00 51.42 C ATOM 584 O PRO A 38 8.559 -0.658 -7.759 1.00 1.52 O ATOM 585 CB PRO A 38 7.262 -2.849 -9.986 1.00 3.21 C ATOM 586 CG PRO A 38 7.553 -1.703 -10.947 1.00 43.35 C ATOM 587 CD PRO A 38 6.511 -0.658 -10.561 1.00 24.42 C ATOM 0 HA PRO A 38 6.203 -2.719 -8.092 1.00 61.21 H new ATOM 0 HB2 PRO A 38 8.134 -3.486 -9.837 1.00 3.21 H new ATOM 0 HB3 PRO A 38 6.458 -3.489 -10.349 1.00 3.21 H new ATOM 0 HG2 PRO A 38 8.568 -1.324 -10.828 1.00 43.35 H new ATOM 0 HG3 PRO A 38 7.449 -2.012 -11.987 1.00 43.35 H new ATOM 0 HD2 PRO A 38 6.883 0.350 -10.742 1.00 24.42 H new ATOM 0 HD3 PRO A 38 5.603 -0.774 -11.153 1.00 24.42 H new ATOM 595 N ILE A 39 8.630 -2.842 -7.201 1.00 25.11 N ATOM 596 CA ILE A 39 9.888 -2.778 -6.470 1.00 64.41 C ATOM 597 C ILE A 39 10.912 -2.178 -7.433 1.00 34.43 C ATOM 598 O ILE A 39 11.098 -2.750 -8.510 1.00 64.30 O ATOM 599 CB ILE A 39 10.305 -4.196 -6.021 1.00 11.14 C ATOM 600 CG1 ILE A 39 9.173 -4.922 -5.264 1.00 10.54 C ATOM 601 CG2 ILE A 39 11.609 -4.134 -5.202 1.00 65.44 C ATOM 602 CD1 ILE A 39 9.541 -6.324 -4.777 1.00 24.31 C ATOM 0 H ILE A 39 8.198 -3.766 -7.189 1.00 25.11 H new ATOM 0 HA ILE A 39 9.807 -2.169 -5.570 1.00 64.41 H new ATOM 0 HB ILE A 39 10.497 -4.791 -6.914 1.00 11.14 H new ATOM 0 HG12 ILE A 39 8.879 -4.317 -4.406 1.00 10.54 H new ATOM 0 HG13 ILE A 39 8.303 -4.993 -5.916 1.00 10.54 H new ATOM 0 HG21 ILE A 39 11.892 -5.140 -4.892 1.00 65.44 H new ATOM 0 HG22 ILE A 39 12.403 -3.706 -5.814 1.00 65.44 H new ATOM 0 HG23 ILE A 39 11.456 -3.512 -4.320 1.00 65.44 H new ATOM 0 HD11 ILE A 39 8.690 -6.763 -4.256 1.00 24.31 H new ATOM 0 HD12 ILE A 39 9.805 -6.948 -5.631 1.00 24.31 H new ATOM 0 HD13 ILE A 39 10.390 -6.262 -4.097 1.00 24.31 H new ATOM 614 N THR A 40 11.531 -1.049 -7.092 1.00 5.23 N ATOM 615 CA THR A 40 12.498 -0.379 -7.953 1.00 31.41 C ATOM 616 C THR A 40 13.752 -0.126 -7.126 1.00 12.21 C ATOM 617 O THR A 40 13.736 0.691 -6.210 1.00 21.42 O ATOM 618 CB THR A 40 11.916 0.909 -8.560 1.00 31.53 C ATOM 619 OG1 THR A 40 10.634 0.691 -9.134 1.00 2.44 O ATOM 620 CG2 THR A 40 12.849 1.412 -9.671 1.00 33.33 C ATOM 0 H THR A 40 11.373 -0.572 -6.204 1.00 5.23 H new ATOM 0 HA THR A 40 12.750 -1.008 -8.807 1.00 31.41 H new ATOM 0 HB THR A 40 11.824 1.638 -7.755 1.00 31.53 H new ATOM 0 HG1 THR A 40 10.026 0.339 -8.451 1.00 2.44 H new ATOM 0 HG21 THR A 40 12.440 2.325 -10.104 1.00 33.33 H new ATOM 0 HG22 THR A 40 13.834 1.618 -9.253 1.00 33.33 H new ATOM 0 HG23 THR A 40 12.936 0.650 -10.446 1.00 33.33 H new ATOM 628 N LEU A 41 14.815 -0.868 -7.430 1.00 50.40 N ATOM 629 CA LEU A 41 16.080 -0.834 -6.708 1.00 62.22 C ATOM 630 C LEU A 41 17.051 -0.058 -7.576 1.00 62.13 C ATOM 631 O LEU A 41 17.062 -0.273 -8.794 1.00 5.01 O ATOM 632 CB LEU A 41 16.595 -2.265 -6.473 1.00 23.41 C ATOM 633 CG LEU A 41 15.535 -3.187 -5.847 1.00 42.43 C ATOM 634 CD1 LEU A 41 16.065 -4.599 -5.615 1.00 50.42 C ATOM 635 CD2 LEU A 41 15.022 -2.642 -4.522 1.00 33.33 C ATOM 0 H LEU A 41 14.817 -1.528 -8.208 1.00 50.40 H new ATOM 0 HA LEU A 41 15.966 -0.363 -5.732 1.00 62.22 H new ATOM 0 HB2 LEU A 41 16.923 -2.688 -7.422 1.00 23.41 H new ATOM 0 HB3 LEU A 41 17.468 -2.229 -5.822 1.00 23.41 H new ATOM 0 HG LEU A 41 14.717 -3.225 -6.567 1.00 42.43 H new ATOM 0 HD11 LEU A 41 15.281 -5.213 -5.172 1.00 50.42 H new ATOM 0 HD12 LEU A 41 16.372 -5.033 -6.566 1.00 50.42 H new ATOM 0 HD13 LEU A 41 16.921 -4.560 -4.941 1.00 50.42 H new ATOM 0 HD21 LEU A 41 14.275 -3.323 -4.113 1.00 33.33 H new ATOM 0 HD22 LEU A 41 15.851 -2.550 -3.821 1.00 33.33 H new ATOM 0 HD23 LEU A 41 14.571 -1.662 -4.682 1.00 33.33 H new ATOM 647 N LEU A 42 17.851 0.834 -6.993 1.00 65.34 N ATOM 648 CA LEU A 42 18.727 1.714 -7.752 1.00 52.02 C ATOM 649 C LEU A 42 20.023 0.996 -8.166 1.00 2.13 C ATOM 650 O LEU A 42 21.139 1.466 -7.927 1.00 62.32 O ATOM 651 CB LEU A 42 18.947 3.016 -6.962 1.00 73.43 C ATOM 652 CG LEU A 42 18.796 4.273 -7.832 1.00 42.14 C ATOM 653 CD1 LEU A 42 19.481 4.201 -9.200 1.00 14.05 C ATOM 654 CD2 LEU A 42 17.322 4.607 -8.083 1.00 4.03 C ATOM 0 H LEU A 42 17.907 0.964 -5.983 1.00 65.34 H new ATOM 0 HA LEU A 42 18.255 1.991 -8.695 1.00 52.02 H new ATOM 0 HB2 LEU A 42 18.233 3.061 -6.139 1.00 73.43 H new ATOM 0 HB3 LEU A 42 19.943 3.003 -6.520 1.00 73.43 H new ATOM 0 HG LEU A 42 19.293 5.046 -7.246 1.00 42.14 H new ATOM 0 HD11 LEU A 42 19.317 5.135 -9.738 1.00 14.05 H new ATOM 0 HD12 LEU A 42 20.551 4.044 -9.063 1.00 14.05 H new ATOM 0 HD13 LEU A 42 19.063 3.374 -9.773 1.00 14.05 H new ATOM 0 HD21 LEU A 42 17.252 5.502 -8.702 1.00 4.03 H new ATOM 0 HD22 LEU A 42 16.842 3.773 -8.595 1.00 4.03 H new ATOM 0 HD23 LEU A 42 16.822 4.784 -7.131 1.00 4.03 H new ATOM 666 N ALA A 43 19.877 -0.141 -8.849 1.00 3.12 N ATOM 667 CA ALA A 43 20.940 -1.062 -9.200 1.00 50.33 C ATOM 668 C ALA A 43 21.733 -1.473 -7.954 1.00 73.23 C ATOM 669 O ALA A 43 21.273 -1.306 -6.826 1.00 52.14 O ATOM 670 CB ALA A 43 21.774 -0.426 -10.320 1.00 42.12 C ATOM 0 H ALA A 43 18.966 -0.452 -9.185 1.00 3.12 H new ATOM 0 HA ALA A 43 20.547 -2.001 -9.590 1.00 50.33 H new ATOM 0 HB1 ALA A 43 22.581 -1.102 -10.601 1.00 42.12 H new ATOM 0 HB2 ALA A 43 21.139 -0.240 -11.186 1.00 42.12 H new ATOM 0 HB3 ALA A 43 22.195 0.516 -9.970 1.00 42.12 H new ATOM 676 N ASP A 44 22.896 -2.087 -8.143 1.00 11.22 N ATOM 677 CA ASP A 44 23.861 -2.283 -7.047 1.00 54.33 C ATOM 678 C ASP A 44 24.690 -1.000 -6.844 1.00 65.52 C ATOM 679 O ASP A 44 25.695 -1.030 -6.134 1.00 12.44 O ATOM 680 CB ASP A 44 24.761 -3.512 -7.332 1.00 71.20 C ATOM 681 CG ASP A 44 25.048 -4.417 -6.126 1.00 65.51 C ATOM 682 OD1 ASP A 44 24.489 -4.222 -5.025 1.00 63.13 O ATOM 683 OD2 ASP A 44 25.769 -5.429 -6.311 1.00 73.10 O ATOM 0 H ASP A 44 23.201 -2.460 -9.042 1.00 11.22 H new ATOM 0 HA ASP A 44 23.322 -2.484 -6.121 1.00 54.33 H new ATOM 0 HB2 ASP A 44 24.290 -4.112 -8.110 1.00 71.20 H new ATOM 0 HB3 ASP A 44 25.711 -3.159 -7.733 1.00 71.20 H new ATOM 688 N ASP A 45 24.308 0.097 -7.518 1.00 72.42 N ATOM 689 CA ASP A 45 25.196 1.145 -8.024 1.00 52.14 C ATOM 690 C ASP A 45 24.697 2.525 -7.597 1.00 65.11 C ATOM 691 O ASP A 45 25.301 3.147 -6.726 1.00 33.41 O ATOM 692 CB ASP A 45 25.334 1.027 -9.550 1.00 10.41 C ATOM 693 CG ASP A 45 26.770 1.194 -10.046 1.00 14.13 C ATOM 694 OD1 ASP A 45 27.516 0.193 -10.006 1.00 30.14 O ATOM 695 OD2 ASP A 45 27.105 2.262 -10.616 1.00 74.53 O ATOM 0 H ASP A 45 23.328 0.281 -7.732 1.00 72.42 H new ATOM 0 HA ASP A 45 26.188 1.015 -7.591 1.00 52.14 H new ATOM 0 HB2 ASP A 45 24.959 0.054 -9.867 1.00 10.41 H new ATOM 0 HB3 ASP A 45 24.704 1.780 -10.023 1.00 10.41 H new ATOM 700 N GLY A 46 23.558 2.970 -8.141 1.00 25.33 N ATOM 701 CA GLY A 46 22.997 4.302 -7.955 1.00 42.30 C ATOM 702 C GLY A 46 22.616 5.008 -9.264 1.00 14.35 C ATOM 703 O GLY A 46 22.195 6.162 -9.215 1.00 30.52 O ATOM 0 H GLY A 46 22.983 2.384 -8.746 1.00 25.33 H new ATOM 0 HA2 GLY A 46 22.112 4.227 -7.324 1.00 42.30 H new ATOM 0 HA3 GLY A 46 23.719 4.918 -7.419 1.00 42.30 H new ATOM 707 N GLU A 47 22.696 4.344 -10.429 1.00 10.35 N ATOM 708 CA GLU A 47 22.477 4.948 -11.745 1.00 70.31 C ATOM 709 C GLU A 47 21.582 4.095 -12.643 1.00 34.43 C ATOM 710 O GLU A 47 21.669 4.169 -13.874 1.00 4.15 O ATOM 711 CB GLU A 47 23.851 5.187 -12.387 1.00 73.22 C ATOM 712 CG GLU A 47 24.405 6.553 -12.014 1.00 34.53 C ATOM 713 CD GLU A 47 23.868 7.649 -12.937 1.00 34.21 C ATOM 714 OE1 GLU A 47 22.657 7.966 -12.898 1.00 43.02 O ATOM 715 OE2 GLU A 47 24.664 8.209 -13.727 1.00 22.35 O ATOM 0 H GLU A 47 22.920 3.350 -10.478 1.00 10.35 H new ATOM 0 HA GLU A 47 21.946 5.892 -11.621 1.00 70.31 H new ATOM 0 HB2 GLU A 47 24.545 4.411 -12.065 1.00 73.22 H new ATOM 0 HB3 GLU A 47 23.767 5.110 -13.471 1.00 73.22 H new ATOM 0 HG2 GLU A 47 24.141 6.784 -10.982 1.00 34.53 H new ATOM 0 HG3 GLU A 47 25.493 6.532 -12.068 1.00 34.53 H new ATOM 722 N THR A 48 20.763 3.209 -12.076 1.00 73.52 N ATOM 723 CA THR A 48 19.820 2.432 -12.865 1.00 72.52 C ATOM 724 C THR A 48 18.645 2.027 -11.989 1.00 23.42 C ATOM 725 O THR A 48 18.809 1.321 -11.003 1.00 12.33 O ATOM 726 CB THR A 48 20.503 1.201 -13.479 1.00 32.23 C ATOM 727 OG1 THR A 48 21.821 1.474 -13.913 1.00 13.11 O ATOM 728 CG2 THR A 48 19.721 0.689 -14.669 1.00 73.50 C ATOM 0 H THR A 48 20.737 3.015 -11.075 1.00 73.52 H new ATOM 0 HA THR A 48 19.453 3.044 -13.689 1.00 72.52 H new ATOM 0 HB THR A 48 20.537 0.452 -12.688 1.00 32.23 H new ATOM 0 HG1 THR A 48 21.890 2.415 -14.176 1.00 13.11 H new ATOM 0 HG21 THR A 48 20.224 -0.183 -15.087 1.00 73.50 H new ATOM 0 HG22 THR A 48 18.716 0.411 -14.352 1.00 73.50 H new ATOM 0 HG23 THR A 48 19.659 1.470 -15.427 1.00 73.50 H new ATOM 736 N GLU A 49 17.458 2.490 -12.332 1.00 4.11 N ATOM 737 CA GLU A 49 16.211 2.136 -11.671 1.00 32.32 C ATOM 738 C GLU A 49 15.780 0.758 -12.191 1.00 3.31 C ATOM 739 O GLU A 49 15.192 0.638 -13.272 1.00 51.43 O ATOM 740 CB GLU A 49 15.167 3.210 -11.980 1.00 45.31 C ATOM 741 CG GLU A 49 15.520 4.573 -11.368 1.00 61.30 C ATOM 742 CD GLU A 49 14.592 5.666 -11.889 1.00 62.14 C ATOM 743 OE1 GLU A 49 13.419 5.708 -11.448 1.00 32.41 O ATOM 744 OE2 GLU A 49 15.024 6.491 -12.726 1.00 3.41 O ATOM 0 H GLU A 49 17.328 3.145 -13.103 1.00 4.11 H new ATOM 0 HA GLU A 49 16.327 2.084 -10.588 1.00 32.32 H new ATOM 0 HB2 GLU A 49 15.069 3.316 -13.060 1.00 45.31 H new ATOM 0 HB3 GLU A 49 14.197 2.887 -11.602 1.00 45.31 H new ATOM 0 HG2 GLU A 49 15.447 4.517 -10.282 1.00 61.30 H new ATOM 0 HG3 GLU A 49 16.553 4.825 -11.606 1.00 61.30 H new ATOM 751 N LYS A 50 16.148 -0.306 -11.481 1.00 41.21 N ATOM 752 CA LYS A 50 15.986 -1.690 -11.922 1.00 33.23 C ATOM 753 C LYS A 50 14.792 -2.284 -11.180 1.00 5.22 C ATOM 754 O LYS A 50 14.804 -2.375 -9.950 1.00 70.40 O ATOM 755 CB LYS A 50 17.294 -2.477 -11.712 1.00 30.24 C ATOM 756 CG LYS A 50 18.446 -1.855 -12.528 1.00 10.34 C ATOM 757 CD LYS A 50 19.750 -2.651 -12.569 1.00 45.43 C ATOM 758 CE LYS A 50 19.685 -3.945 -13.383 1.00 31.41 C ATOM 759 NZ LYS A 50 19.482 -3.685 -14.819 1.00 63.12 N ATOM 0 H LYS A 50 16.578 -0.228 -10.559 1.00 41.21 H new ATOM 0 HA LYS A 50 15.781 -1.744 -12.991 1.00 33.23 H new ATOM 0 HB2 LYS A 50 17.554 -2.483 -10.654 1.00 30.24 H new ATOM 0 HB3 LYS A 50 17.151 -3.515 -12.010 1.00 30.24 H new ATOM 0 HG2 LYS A 50 18.101 -1.709 -13.552 1.00 10.34 H new ATOM 0 HG3 LYS A 50 18.660 -0.867 -12.120 1.00 10.34 H new ATOM 0 HD2 LYS A 50 20.534 -2.017 -12.983 1.00 45.43 H new ATOM 0 HD3 LYS A 50 20.043 -2.895 -11.548 1.00 45.43 H new ATOM 0 HE2 LYS A 50 20.608 -4.508 -13.244 1.00 31.41 H new ATOM 0 HE3 LYS A 50 18.872 -4.568 -13.009 1.00 31.41 H new ATOM 0 HZ1 LYS A 50 19.579 -4.574 -15.350 1.00 63.12 H new ATOM 0 HZ2 LYS A 50 18.530 -3.294 -14.970 1.00 63.12 H new ATOM 0 HZ3 LYS A 50 20.193 -3.003 -15.152 1.00 63.12 H new ATOM 773 N THR A 51 13.736 -2.629 -11.912 1.00 74.34 N ATOM 774 CA THR A 51 12.484 -3.085 -11.318 1.00 45.32 C ATOM 775 C THR A 51 12.527 -4.583 -10.997 1.00 4.05 C ATOM 776 O THR A 51 13.328 -5.311 -11.583 1.00 41.13 O ATOM 777 CB THR A 51 11.283 -2.702 -12.200 1.00 1.15 C ATOM 778 OG1 THR A 51 11.400 -3.105 -13.554 1.00 10.11 O ATOM 779 CG2 THR A 51 11.059 -1.189 -12.192 1.00 70.13 C ATOM 0 H THR A 51 13.725 -2.600 -12.932 1.00 74.34 H new ATOM 0 HA THR A 51 12.354 -2.571 -10.366 1.00 45.32 H new ATOM 0 HB THR A 51 10.442 -3.237 -11.758 1.00 1.15 H new ATOM 0 HG1 THR A 51 10.600 -2.828 -14.048 1.00 10.11 H new ATOM 0 HG21 THR A 51 10.204 -0.944 -12.823 1.00 70.13 H new ATOM 0 HG22 THR A 51 10.865 -0.855 -11.173 1.00 70.13 H new ATOM 0 HG23 THR A 51 11.948 -0.688 -12.575 1.00 70.13 H new ATOM 787 N PHE A 52 11.664 -5.061 -10.097 1.00 32.12 N ATOM 788 CA PHE A 52 11.547 -6.473 -9.737 1.00 4.33 C ATOM 789 C PHE A 52 10.081 -6.893 -9.638 1.00 12.55 C ATOM 790 O PHE A 52 9.214 -6.045 -9.393 1.00 25.31 O ATOM 791 CB PHE A 52 12.270 -6.748 -8.406 1.00 31.32 C ATOM 792 CG PHE A 52 13.762 -6.829 -8.569 1.00 64.43 C ATOM 793 CD1 PHE A 52 14.509 -5.643 -8.625 1.00 62.52 C ATOM 794 CD2 PHE A 52 14.391 -8.074 -8.749 1.00 70.13 C ATOM 795 CE1 PHE A 52 15.872 -5.694 -8.933 1.00 13.21 C ATOM 796 CE2 PHE A 52 15.761 -8.127 -9.040 1.00 4.22 C ATOM 797 CZ PHE A 52 16.496 -6.937 -9.158 1.00 3.15 C ATOM 0 H PHE A 52 11.014 -4.462 -9.588 1.00 32.12 H new ATOM 0 HA PHE A 52 12.018 -7.063 -10.523 1.00 4.33 H new ATOM 0 HB2 PHE A 52 12.028 -5.959 -7.694 1.00 31.32 H new ATOM 0 HB3 PHE A 52 11.902 -7.683 -7.983 1.00 31.32 H new ATOM 0 HD1 PHE A 52 14.033 -4.693 -8.431 1.00 62.52 H new ATOM 0 HD2 PHE A 52 13.820 -8.987 -8.663 1.00 70.13 H new ATOM 0 HE1 PHE A 52 16.446 -4.781 -8.998 1.00 13.21 H new ATOM 0 HE2 PHE A 52 16.250 -9.081 -9.173 1.00 4.22 H new ATOM 0 HZ PHE A 52 17.543 -6.974 -9.422 1.00 3.15 H new ATOM 807 N PRO A 53 9.798 -8.202 -9.772 1.00 24.14 N ATOM 808 CA PRO A 53 8.470 -8.747 -9.573 1.00 24.45 C ATOM 809 C PRO A 53 8.003 -8.519 -8.139 1.00 41.32 C ATOM 810 O PRO A 53 8.764 -8.668 -7.177 1.00 23.32 O ATOM 811 CB PRO A 53 8.571 -10.240 -9.889 1.00 1.14 C ATOM 812 CG PRO A 53 10.047 -10.568 -9.742 1.00 21.14 C ATOM 813 CD PRO A 53 10.715 -9.265 -10.157 1.00 43.13 C ATOM 0 HA PRO A 53 7.739 -8.260 -10.218 1.00 24.45 H new ATOM 0 HB2 PRO A 53 7.964 -10.831 -9.204 1.00 1.14 H new ATOM 0 HB3 PRO A 53 8.216 -10.456 -10.897 1.00 1.14 H new ATOM 0 HG2 PRO A 53 10.301 -10.847 -8.719 1.00 21.14 H new ATOM 0 HG3 PRO A 53 10.344 -11.399 -10.382 1.00 21.14 H new ATOM 0 HD2 PRO A 53 11.679 -9.146 -9.663 1.00 43.13 H new ATOM 0 HD3 PRO A 53 10.903 -9.248 -11.231 1.00 43.13 H new ATOM 821 N PHE A 54 6.720 -8.215 -8.004 1.00 43.11 N ATOM 822 CA PHE A 54 6.033 -8.012 -6.748 1.00 54.31 C ATOM 823 C PHE A 54 5.248 -9.292 -6.467 1.00 64.35 C ATOM 824 O PHE A 54 4.300 -9.624 -7.188 1.00 4.21 O ATOM 825 CB PHE A 54 5.159 -6.764 -6.883 1.00 72.13 C ATOM 826 CG PHE A 54 4.312 -6.465 -5.670 1.00 20.21 C ATOM 827 CD1 PHE A 54 3.048 -7.063 -5.494 1.00 63.34 C ATOM 828 CD2 PHE A 54 4.804 -5.576 -4.703 1.00 62.15 C ATOM 829 CE1 PHE A 54 2.272 -6.740 -4.370 1.00 33.32 C ATOM 830 CE2 PHE A 54 4.053 -5.298 -3.554 1.00 13.34 C ATOM 831 CZ PHE A 54 2.778 -5.861 -3.398 1.00 21.30 C ATOM 0 H PHE A 54 6.105 -8.099 -8.810 1.00 43.11 H new ATOM 0 HA PHE A 54 6.699 -7.835 -5.904 1.00 54.31 H new ATOM 0 HB2 PHE A 54 5.800 -5.906 -7.085 1.00 72.13 H new ATOM 0 HB3 PHE A 54 4.506 -6.884 -7.747 1.00 72.13 H new ATOM 0 HD1 PHE A 54 2.677 -7.769 -6.223 1.00 63.34 H new ATOM 0 HD2 PHE A 54 5.765 -5.104 -4.845 1.00 62.15 H new ATOM 0 HE1 PHE A 54 1.287 -7.167 -4.252 1.00 33.32 H new ATOM 0 HE2 PHE A 54 4.455 -4.651 -2.789 1.00 13.34 H new ATOM 0 HZ PHE A 54 2.184 -5.618 -2.529 1.00 21.30 H new ATOM 841 N THR A 55 5.686 -10.058 -5.472 1.00 35.40 N ATOM 842 CA THR A 55 5.150 -11.375 -5.150 1.00 54.21 C ATOM 843 C THR A 55 4.671 -11.376 -3.692 1.00 4.10 C ATOM 844 O THR A 55 5.081 -10.504 -2.919 1.00 61.21 O ATOM 845 CB THR A 55 6.201 -12.440 -5.529 1.00 1.53 C ATOM 846 OG1 THR A 55 7.467 -12.230 -4.926 1.00 32.31 O ATOM 847 CG2 THR A 55 6.424 -12.454 -7.043 1.00 54.42 C ATOM 0 H THR A 55 6.443 -9.772 -4.852 1.00 35.40 H new ATOM 0 HA THR A 55 4.264 -11.631 -5.732 1.00 54.21 H new ATOM 0 HB THR A 55 5.794 -13.384 -5.166 1.00 1.53 H new ATOM 0 HG1 THR A 55 8.084 -12.938 -5.205 1.00 32.31 H new ATOM 0 HG21 THR A 55 7.168 -13.210 -7.294 1.00 54.42 H new ATOM 0 HG22 THR A 55 5.486 -12.686 -7.547 1.00 54.42 H new ATOM 0 HG23 THR A 55 6.778 -11.475 -7.368 1.00 54.42 H new ATOM 855 N LYS A 56 3.781 -12.304 -3.311 1.00 0.12 N ATOM 856 CA LYS A 56 3.020 -12.264 -2.052 1.00 42.23 C ATOM 857 C LYS A 56 3.907 -12.253 -0.803 1.00 54.13 C ATOM 858 O LYS A 56 3.478 -11.784 0.251 1.00 21.42 O ATOM 859 CB LYS A 56 2.023 -13.444 -1.994 1.00 71.32 C ATOM 860 CG LYS A 56 0.572 -13.058 -2.330 1.00 41.41 C ATOM 861 CD LYS A 56 0.268 -12.770 -3.809 1.00 73.13 C ATOM 862 CE LYS A 56 -1.203 -12.324 -3.917 1.00 34.11 C ATOM 863 NZ LYS A 56 -1.590 -11.905 -5.280 1.00 43.45 N ATOM 0 H LYS A 56 3.565 -13.121 -3.882 1.00 0.12 H new ATOM 0 HA LYS A 56 2.476 -11.319 -2.049 1.00 42.23 H new ATOM 0 HB2 LYS A 56 2.352 -14.218 -2.688 1.00 71.32 H new ATOM 0 HB3 LYS A 56 2.050 -13.879 -0.995 1.00 71.32 H new ATOM 0 HG2 LYS A 56 -0.082 -13.864 -1.997 1.00 41.41 H new ATOM 0 HG3 LYS A 56 0.310 -12.174 -1.749 1.00 41.41 H new ATOM 0 HD2 LYS A 56 0.930 -11.992 -4.189 1.00 73.13 H new ATOM 0 HD3 LYS A 56 0.441 -13.660 -4.414 1.00 73.13 H new ATOM 0 HE2 LYS A 56 -1.848 -13.144 -3.600 1.00 34.11 H new ATOM 0 HE3 LYS A 56 -1.376 -11.497 -3.228 1.00 34.11 H new ATOM 0 HZ1 LYS A 56 -2.589 -11.618 -5.284 1.00 43.45 H new ATOM 0 HZ2 LYS A 56 -0.998 -11.104 -5.578 1.00 43.45 H new ATOM 0 HZ3 LYS A 56 -1.455 -12.699 -5.939 1.00 43.45 H new ATOM 877 N GLU A 57 5.144 -12.729 -0.906 1.00 42.13 N ATOM 878 CA GLU A 57 6.125 -12.681 0.165 1.00 74.33 C ATOM 879 C GLU A 57 6.365 -11.220 0.551 1.00 12.21 C ATOM 880 O GLU A 57 6.333 -10.887 1.734 1.00 64.04 O ATOM 881 CB GLU A 57 7.426 -13.371 -0.291 1.00 72.31 C ATOM 882 CG GLU A 57 7.983 -14.313 0.787 1.00 44.42 C ATOM 883 CD GLU A 57 7.133 -15.577 0.939 1.00 52.20 C ATOM 884 OE1 GLU A 57 7.049 -16.350 -0.046 1.00 15.44 O ATOM 885 OE2 GLU A 57 6.543 -15.788 2.023 1.00 24.21 O ATOM 0 H GLU A 57 5.497 -13.168 -1.756 1.00 42.13 H new ATOM 0 HA GLU A 57 5.759 -13.214 1.042 1.00 74.33 H new ATOM 0 HB2 GLU A 57 7.237 -13.936 -1.204 1.00 72.31 H new ATOM 0 HB3 GLU A 57 8.173 -12.615 -0.533 1.00 72.31 H new ATOM 0 HG2 GLU A 57 9.005 -14.592 0.531 1.00 44.42 H new ATOM 0 HG3 GLU A 57 8.025 -13.788 1.741 1.00 44.42 H new ATOM 892 N LYS A 58 6.517 -10.335 -0.446 1.00 63.43 N ATOM 893 CA LYS A 58 6.670 -8.893 -0.269 1.00 62.43 C ATOM 894 C LYS A 58 5.316 -8.230 0.032 1.00 41.35 C ATOM 895 O LYS A 58 4.906 -7.290 -0.653 1.00 24.31 O ATOM 896 CB LYS A 58 7.328 -8.238 -1.499 1.00 1.43 C ATOM 897 CG LYS A 58 8.692 -8.792 -1.952 1.00 15.54 C ATOM 898 CD LYS A 58 8.545 -9.584 -3.255 1.00 20.15 C ATOM 899 CE LYS A 58 9.899 -9.869 -3.913 1.00 31.15 C ATOM 900 NZ LYS A 58 9.732 -10.448 -5.260 1.00 54.43 N ATOM 0 H LYS A 58 6.537 -10.618 -1.426 1.00 63.43 H new ATOM 0 HA LYS A 58 7.329 -8.739 0.585 1.00 62.43 H new ATOM 0 HB2 LYS A 58 6.635 -8.322 -2.336 1.00 1.43 H new ATOM 0 HB3 LYS A 58 7.449 -7.175 -1.291 1.00 1.43 H new ATOM 0 HG2 LYS A 58 9.395 -7.971 -2.096 1.00 15.54 H new ATOM 0 HG3 LYS A 58 9.107 -9.434 -1.175 1.00 15.54 H new ATOM 0 HD2 LYS A 58 8.037 -10.526 -3.050 1.00 20.15 H new ATOM 0 HD3 LYS A 58 7.916 -9.026 -3.949 1.00 20.15 H new ATOM 0 HE2 LYS A 58 10.474 -8.945 -3.981 1.00 31.15 H new ATOM 0 HE3 LYS A 58 10.471 -10.555 -3.289 1.00 31.15 H new ATOM 0 HZ1 LYS A 58 10.619 -10.905 -5.554 1.00 54.43 H new ATOM 0 HZ2 LYS A 58 8.968 -11.153 -5.242 1.00 54.43 H new ATOM 0 HZ3 LYS A 58 9.492 -9.694 -5.935 1.00 54.43 H new ATOM 914 N TRP A 59 4.573 -8.745 1.005 1.00 64.02 N ATOM 915 CA TRP A 59 3.368 -8.108 1.523 1.00 32.14 C ATOM 916 C TRP A 59 3.534 -7.813 3.019 1.00 74.45 C ATOM 917 O TRP A 59 3.240 -8.692 3.833 1.00 34.24 O ATOM 918 CB TRP A 59 2.080 -8.856 1.182 1.00 21.30 C ATOM 919 CG TRP A 59 0.870 -8.011 1.453 1.00 64.01 C ATOM 920 CD1 TRP A 59 0.266 -7.908 2.654 1.00 53.31 C ATOM 921 CD2 TRP A 59 0.187 -7.044 0.592 1.00 32.42 C ATOM 922 NE1 TRP A 59 -0.726 -6.955 2.597 1.00 74.03 N ATOM 923 CE2 TRP A 59 -0.834 -6.398 1.351 1.00 64.43 C ATOM 924 CE3 TRP A 59 0.324 -6.642 -0.752 1.00 51.54 C ATOM 925 CZ2 TRP A 59 -1.672 -5.416 0.811 1.00 51.11 C ATOM 926 CZ3 TRP A 59 -0.512 -5.651 -1.307 1.00 34.24 C ATOM 927 CH2 TRP A 59 -1.514 -5.058 -0.529 1.00 72.04 C ATOM 0 H TRP A 59 4.794 -9.629 1.463 1.00 64.02 H new ATOM 0 HA TRP A 59 3.249 -7.155 1.008 1.00 32.14 H new ATOM 0 HB2 TRP A 59 2.094 -9.148 0.132 1.00 21.30 H new ATOM 0 HB3 TRP A 59 2.024 -9.774 1.768 1.00 21.30 H new ATOM 0 HD1 TRP A 59 0.522 -8.486 3.529 1.00 53.31 H new ATOM 0 HE1 TRP A 59 -1.312 -6.694 3.390 1.00 74.03 H new ATOM 0 HE3 TRP A 59 1.083 -7.101 -1.368 1.00 51.54 H new ATOM 0 HZ2 TRP A 59 -2.428 -4.943 1.420 1.00 51.11 H new ATOM 0 HZ3 TRP A 59 -0.379 -5.349 -2.335 1.00 34.24 H new ATOM 0 HH2 TRP A 59 -2.168 -4.319 -0.968 1.00 72.04 H new ATOM 938 N PRO A 60 4.109 -6.657 3.390 1.00 3.44 N ATOM 939 CA PRO A 60 4.105 -6.204 4.774 1.00 14.31 C ATOM 940 C PRO A 60 2.667 -5.928 5.236 1.00 14.42 C ATOM 941 O PRO A 60 1.872 -5.364 4.481 1.00 2.33 O ATOM 942 CB PRO A 60 4.967 -4.938 4.799 1.00 60.25 C ATOM 943 CG PRO A 60 4.810 -4.379 3.398 1.00 60.35 C ATOM 944 CD PRO A 60 4.659 -5.622 2.525 1.00 22.43 C ATOM 0 HA PRO A 60 4.505 -6.954 5.457 1.00 14.31 H new ATOM 0 HB2 PRO A 60 4.622 -4.232 5.554 1.00 60.25 H new ATOM 0 HB3 PRO A 60 6.008 -5.165 5.027 1.00 60.25 H new ATOM 0 HG2 PRO A 60 3.939 -3.729 3.322 1.00 60.35 H new ATOM 0 HG3 PRO A 60 5.677 -3.787 3.104 1.00 60.35 H new ATOM 0 HD2 PRO A 60 3.998 -5.427 1.681 1.00 22.43 H new ATOM 0 HD3 PRO A 60 5.621 -5.928 2.113 1.00 22.43 H new ATOM 952 N LEU A 61 2.336 -6.325 6.460 1.00 35.30 N ATOM 953 CA LEU A 61 1.129 -5.997 7.208 1.00 31.44 C ATOM 954 C LEU A 61 1.232 -4.560 7.702 1.00 71.35 C ATOM 955 O LEU A 61 2.099 -4.244 8.513 1.00 35.44 O ATOM 956 CB LEU A 61 0.996 -6.975 8.400 1.00 31.10 C ATOM 957 CG LEU A 61 0.236 -8.280 8.088 1.00 43.44 C ATOM 958 CD1 LEU A 61 0.448 -8.844 6.684 1.00 22.34 C ATOM 959 CD2 LEU A 61 0.617 -9.408 9.055 1.00 40.24 C ATOM 0 H LEU A 61 2.955 -6.933 6.997 1.00 35.30 H new ATOM 0 HA LEU A 61 0.247 -6.091 6.575 1.00 31.44 H new ATOM 0 HB2 LEU A 61 1.995 -7.229 8.755 1.00 31.10 H new ATOM 0 HB3 LEU A 61 0.488 -6.462 9.217 1.00 31.10 H new ATOM 0 HG LEU A 61 -0.805 -7.974 8.190 1.00 43.44 H new ATOM 0 HD11 LEU A 61 -0.130 -9.761 6.569 1.00 22.34 H new ATOM 0 HD12 LEU A 61 0.120 -8.113 5.945 1.00 22.34 H new ATOM 0 HD13 LEU A 61 1.506 -9.061 6.535 1.00 22.34 H new ATOM 0 HD21 LEU A 61 0.059 -10.309 8.800 1.00 40.24 H new ATOM 0 HD22 LEU A 61 1.686 -9.608 8.977 1.00 40.24 H new ATOM 0 HD23 LEU A 61 0.377 -9.109 10.075 1.00 40.24 H new ATOM 971 N LEU A 62 0.357 -3.687 7.202 1.00 3.33 N ATOM 972 CA LEU A 62 0.080 -2.416 7.868 1.00 42.13 C ATOM 973 C LEU A 62 -0.812 -2.651 9.084 1.00 72.41 C ATOM 974 O LEU A 62 -1.405 -3.724 9.243 1.00 31.32 O ATOM 975 CB LEU A 62 -0.600 -1.434 6.892 1.00 0.31 C ATOM 976 CG LEU A 62 0.272 -0.206 6.601 1.00 12.33 C ATOM 977 CD1 LEU A 62 1.492 -0.619 5.775 1.00 32.22 C ATOM 978 CD2 LEU A 62 -0.530 0.854 5.841 1.00 15.40 C ATOM 0 H LEU A 62 -0.170 -3.837 6.341 1.00 3.33 H new ATOM 0 HA LEU A 62 1.023 -1.979 8.197 1.00 42.13 H new ATOM 0 HB2 LEU A 62 -0.822 -1.949 5.957 1.00 0.31 H new ATOM 0 HB3 LEU A 62 -1.552 -1.110 7.311 1.00 0.31 H new ATOM 0 HG LEU A 62 0.602 0.218 7.549 1.00 12.33 H new ATOM 0 HD11 LEU A 62 2.107 0.257 5.572 1.00 32.22 H new ATOM 0 HD12 LEU A 62 2.077 -1.352 6.331 1.00 32.22 H new ATOM 0 HD13 LEU A 62 1.162 -1.057 4.833 1.00 32.22 H new ATOM 0 HD21 LEU A 62 0.105 1.718 5.643 1.00 15.40 H new ATOM 0 HD22 LEU A 62 -0.880 0.437 4.897 1.00 15.40 H new ATOM 0 HD23 LEU A 62 -1.386 1.162 6.441 1.00 15.40 H new ATOM 990 N ASP A 63 -0.994 -1.592 9.864 1.00 51.41 N ATOM 991 CA ASP A 63 -1.881 -1.471 11.015 1.00 4.22 C ATOM 992 C ASP A 63 -2.810 -0.285 10.803 1.00 43.51 C ATOM 993 O ASP A 63 -2.564 0.591 9.970 1.00 71.33 O ATOM 994 CB ASP A 63 -1.079 -1.227 12.322 1.00 14.20 C ATOM 995 CG ASP A 63 0.130 -0.320 12.129 1.00 31.10 C ATOM 996 OD1 ASP A 63 -0.047 0.885 11.844 1.00 40.12 O ATOM 997 OD2 ASP A 63 1.266 -0.835 12.228 1.00 23.10 O ATOM 0 H ASP A 63 -0.484 -0.725 9.694 1.00 51.41 H new ATOM 0 HA ASP A 63 -2.441 -2.401 11.110 1.00 4.22 H new ATOM 0 HB2 ASP A 63 -1.740 -0.786 13.068 1.00 14.20 H new ATOM 0 HB3 ASP A 63 -0.745 -2.186 12.719 1.00 14.20 H new ATOM 1002 N SER A 64 -3.843 -0.230 11.646 1.00 52.13 N ATOM 1003 CA SER A 64 -4.771 0.881 11.793 1.00 44.11 C ATOM 1004 C SER A 64 -4.078 2.228 11.975 1.00 60.34 C ATOM 1005 O SER A 64 -4.685 3.248 11.651 1.00 4.14 O ATOM 1006 CB SER A 64 -5.622 0.631 13.041 1.00 0.23 C ATOM 1007 OG SER A 64 -6.547 -0.422 12.836 1.00 54.55 O ATOM 0 H SER A 64 -4.062 -1.002 12.275 1.00 52.13 H new ATOM 0 HA SER A 64 -5.360 0.929 10.877 1.00 44.11 H new ATOM 0 HB2 SER A 64 -4.973 0.388 13.882 1.00 0.23 H new ATOM 0 HB3 SER A 64 -6.159 1.542 13.305 1.00 0.23 H new ATOM 0 HG SER A 64 -7.074 -0.558 13.651 1.00 54.55 H new ATOM 1013 N GLU A 65 -2.863 2.249 12.512 1.00 0.14 N ATOM 1014 CA GLU A 65 -2.217 3.459 12.984 1.00 0.14 C ATOM 1015 C GLU A 65 -1.414 4.127 11.865 1.00 22.02 C ATOM 1016 O GLU A 65 -1.326 5.349 11.826 1.00 3.21 O ATOM 1017 CB GLU A 65 -1.447 3.103 14.271 1.00 33.21 C ATOM 1018 CG GLU A 65 -2.505 3.032 15.392 1.00 24.23 C ATOM 1019 CD GLU A 65 -1.974 2.953 16.823 1.00 62.25 C ATOM 1020 OE1 GLU A 65 -1.623 1.847 17.289 1.00 61.23 O ATOM 1021 OE2 GLU A 65 -2.052 3.982 17.537 1.00 44.32 O ATOM 0 H GLU A 65 -2.294 1.411 12.631 1.00 0.14 H new ATOM 0 HA GLU A 65 -2.932 4.235 13.257 1.00 0.14 H new ATOM 0 HB2 GLU A 65 -0.927 2.151 14.164 1.00 33.21 H new ATOM 0 HB3 GLU A 65 -0.691 3.856 14.495 1.00 33.21 H new ATOM 0 HG2 GLU A 65 -3.146 3.910 15.313 1.00 24.23 H new ATOM 0 HG3 GLU A 65 -3.135 2.161 15.213 1.00 24.23 H new ATOM 1028 N THR A 66 -0.973 3.363 10.868 1.00 21.44 N ATOM 1029 CA THR A 66 -0.416 3.883 9.622 1.00 44.22 C ATOM 1030 C THR A 66 -1.522 4.452 8.704 1.00 33.30 C ATOM 1031 O THR A 66 -1.233 5.190 7.766 1.00 53.13 O ATOM 1032 CB THR A 66 0.388 2.747 8.956 1.00 34.14 C ATOM 1033 OG1 THR A 66 1.249 2.138 9.908 1.00 13.31 O ATOM 1034 CG2 THR A 66 1.286 3.219 7.804 1.00 34.24 C ATOM 0 H THR A 66 -0.993 2.344 10.905 1.00 21.44 H new ATOM 0 HA THR A 66 0.251 4.722 9.822 1.00 44.22 H new ATOM 0 HB THR A 66 -0.361 2.059 8.563 1.00 34.14 H new ATOM 0 HG1 THR A 66 0.762 1.435 10.387 1.00 13.31 H new ATOM 0 HG21 THR A 66 1.820 2.366 7.385 1.00 34.24 H new ATOM 0 HG22 THR A 66 0.672 3.679 7.029 1.00 34.24 H new ATOM 0 HG23 THR A 66 2.005 3.948 8.178 1.00 34.24 H new ATOM 1042 N MET A 67 -2.806 4.157 8.966 1.00 2.40 N ATOM 1043 CA MET A 67 -3.924 4.645 8.148 1.00 2.13 C ATOM 1044 C MET A 67 -4.300 6.109 8.430 1.00 72.22 C ATOM 1045 O MET A 67 -5.296 6.597 7.881 1.00 21.30 O ATOM 1046 CB MET A 67 -5.171 3.769 8.361 1.00 0.30 C ATOM 1047 CG MET A 67 -4.980 2.289 8.016 1.00 11.10 C ATOM 1048 SD MET A 67 -4.361 1.899 6.353 1.00 22.03 S ATOM 1049 CE MET A 67 -5.346 3.012 5.318 1.00 60.21 C ATOM 0 H MET A 67 -3.096 3.574 9.751 1.00 2.40 H new ATOM 0 HA MET A 67 -3.579 4.586 7.116 1.00 2.13 H new ATOM 0 HB2 MET A 67 -5.480 3.848 9.403 1.00 0.30 H new ATOM 0 HB3 MET A 67 -5.986 4.167 7.756 1.00 0.30 H new ATOM 0 HG2 MET A 67 -4.291 1.859 8.743 1.00 11.10 H new ATOM 0 HG3 MET A 67 -5.938 1.785 8.147 1.00 11.10 H new ATOM 0 HE1 MET A 67 -5.447 2.586 4.320 1.00 60.21 H new ATOM 0 HE2 MET A 67 -6.334 3.140 5.760 1.00 60.21 H new ATOM 0 HE3 MET A 67 -4.850 3.980 5.251 1.00 60.21 H new ATOM 1059 N LYS A 68 -3.622 6.785 9.359 1.00 72.03 N ATOM 1060 CA LYS A 68 -4.041 8.099 9.835 1.00 32.23 C ATOM 1061 C LYS A 68 -3.694 9.158 8.798 1.00 74.04 C ATOM 1062 O LYS A 68 -2.660 9.091 8.135 1.00 5.51 O ATOM 1063 CB LYS A 68 -3.367 8.403 11.182 1.00 72.45 C ATOM 1064 CG LYS A 68 -4.138 7.901 12.414 1.00 33.40 C ATOM 1065 CD LYS A 68 -4.503 6.411 12.412 1.00 40.33 C ATOM 1066 CE LYS A 68 -5.908 6.150 11.863 1.00 60.44 C ATOM 1067 NZ LYS A 68 -6.913 6.158 12.939 1.00 74.44 N ATOM 0 H LYS A 68 -2.771 6.436 9.799 1.00 72.03 H new ATOM 0 HA LYS A 68 -5.121 8.107 9.983 1.00 32.23 H new ATOM 0 HB2 LYS A 68 -2.373 7.955 11.185 1.00 72.45 H new ATOM 0 HB3 LYS A 68 -3.231 9.481 11.270 1.00 72.45 H new ATOM 0 HG2 LYS A 68 -3.541 8.108 13.302 1.00 33.40 H new ATOM 0 HG3 LYS A 68 -5.057 8.481 12.505 1.00 33.40 H new ATOM 0 HD2 LYS A 68 -3.775 5.863 11.813 1.00 40.33 H new ATOM 0 HD3 LYS A 68 -4.436 6.023 13.428 1.00 40.33 H new ATOM 0 HE2 LYS A 68 -6.159 6.910 11.123 1.00 60.44 H new ATOM 0 HE3 LYS A 68 -5.928 5.188 11.351 1.00 60.44 H new ATOM 0 HZ1 LYS A 68 -7.855 5.978 12.536 1.00 74.44 H new ATOM 0 HZ2 LYS A 68 -6.686 5.416 13.632 1.00 74.44 H new ATOM 0 HZ3 LYS A 68 -6.909 7.085 13.411 1.00 74.44 H new ATOM 1081 N GLU A 69 -4.582 10.146 8.696 1.00 71.13 N ATOM 1082 CA GLU A 69 -4.431 11.303 7.833 1.00 45.45 C ATOM 1083 C GLU A 69 -4.128 12.492 8.737 1.00 74.05 C ATOM 1084 O GLU A 69 -4.950 12.861 9.591 1.00 11.32 O ATOM 1085 CB GLU A 69 -5.735 11.549 7.049 1.00 61.11 C ATOM 1086 CG GLU A 69 -6.101 10.490 5.995 1.00 34.01 C ATOM 1087 CD GLU A 69 -7.616 10.283 5.921 1.00 41.55 C ATOM 1088 OE1 GLU A 69 -8.295 11.068 5.221 1.00 54.14 O ATOM 1089 OE2 GLU A 69 -8.149 9.337 6.555 1.00 34.20 O ATOM 0 H GLU A 69 -5.451 10.158 9.230 1.00 71.13 H new ATOM 0 HA GLU A 69 -3.630 11.151 7.109 1.00 45.45 H new ATOM 0 HB2 GLU A 69 -6.556 11.621 7.762 1.00 61.11 H new ATOM 0 HB3 GLU A 69 -5.659 12.516 6.552 1.00 61.11 H new ATOM 0 HG2 GLU A 69 -5.725 10.799 5.020 1.00 34.01 H new ATOM 0 HG3 GLU A 69 -5.614 9.546 6.240 1.00 34.01 H new ATOM 1096 N GLU A 70 -2.937 13.062 8.600 1.00 52.43 N ATOM 1097 CA GLU A 70 -2.464 14.175 9.398 1.00 10.54 C ATOM 1098 C GLU A 70 -1.566 15.085 8.547 1.00 72.04 C ATOM 1099 O GLU A 70 -1.344 14.849 7.358 1.00 72.33 O ATOM 1100 CB GLU A 70 -1.823 13.621 10.684 1.00 5.51 C ATOM 1101 CG GLU A 70 -0.345 13.246 10.662 1.00 44.32 C ATOM 1102 CD GLU A 70 0.045 12.261 11.781 1.00 52.41 C ATOM 1103 OE1 GLU A 70 -0.615 12.200 12.849 1.00 60.11 O ATOM 1104 OE2 GLU A 70 1.028 11.506 11.615 1.00 64.21 O ATOM 0 H GLU A 70 -2.256 12.749 7.908 1.00 52.43 H new ATOM 0 HA GLU A 70 -3.279 14.822 9.724 1.00 10.54 H new ATOM 0 HB2 GLU A 70 -1.964 14.363 11.470 1.00 5.51 H new ATOM 0 HB3 GLU A 70 -2.385 12.734 10.978 1.00 5.51 H new ATOM 0 HG2 GLU A 70 -0.103 12.803 9.696 1.00 44.32 H new ATOM 0 HG3 GLU A 70 0.255 14.151 10.757 1.00 44.32 H new ATOM 1111 N ARG A 71 -1.093 16.192 9.112 1.00 34.41 N ATOM 1112 CA ARG A 71 -0.249 17.168 8.453 1.00 54.52 C ATOM 1113 C ARG A 71 0.703 17.731 9.485 1.00 5.34 C ATOM 1114 O ARG A 71 0.253 18.405 10.407 1.00 74.04 O ATOM 1115 CB ARG A 71 -1.136 18.227 7.789 1.00 24.40 C ATOM 1116 CG ARG A 71 -0.339 19.302 7.044 1.00 71.03 C ATOM 1117 CD ARG A 71 -0.317 20.647 7.779 1.00 33.30 C ATOM 1118 NE ARG A 71 0.069 21.721 6.854 1.00 24.02 N ATOM 1119 CZ ARG A 71 0.230 23.015 7.143 1.00 41.51 C ATOM 1120 NH1 ARG A 71 0.203 23.460 8.396 1.00 14.43 N ATOM 1121 NH2 ARG A 71 0.433 23.867 6.146 1.00 54.22 N ATOM 0 H ARG A 71 -1.299 16.438 10.080 1.00 34.41 H new ATOM 0 HA ARG A 71 0.352 16.728 7.657 1.00 54.52 H new ATOM 0 HB2 ARG A 71 -1.814 17.737 7.090 1.00 24.40 H new ATOM 0 HB3 ARG A 71 -1.753 18.704 8.551 1.00 24.40 H new ATOM 0 HG2 ARG A 71 0.684 18.955 6.902 1.00 71.03 H new ATOM 0 HG3 ARG A 71 -0.768 19.443 6.052 1.00 71.03 H new ATOM 0 HD2 ARG A 71 -1.300 20.856 8.201 1.00 33.30 H new ATOM 0 HD3 ARG A 71 0.385 20.604 8.612 1.00 33.30 H new ATOM 0 HE ARG A 71 0.232 21.449 5.885 1.00 24.02 H new ATOM 0 HH11 ARG A 71 0.056 22.807 9.166 1.00 14.43 H new ATOM 0 HH12 ARG A 71 0.329 24.454 8.587 1.00 14.43 H new ATOM 0 HH21 ARG A 71 0.463 23.529 5.184 1.00 54.22 H new ATOM 0 HH22 ARG A 71 0.559 24.860 6.341 1.00 54.22 H new ATOM 1135 N ILE A 72 1.988 17.439 9.364 1.00 65.45 N ATOM 1136 CA ILE A 72 3.033 17.917 10.243 1.00 24.00 C ATOM 1137 C ILE A 72 3.833 18.954 9.459 1.00 73.45 C ATOM 1138 O ILE A 72 4.701 18.643 8.640 1.00 70.03 O ATOM 1139 CB ILE A 72 3.902 16.753 10.766 1.00 24.11 C ATOM 1140 CG1 ILE A 72 3.155 15.468 11.201 1.00 45.45 C ATOM 1141 CG2 ILE A 72 4.664 17.289 11.987 1.00 52.44 C ATOM 1142 CD1 ILE A 72 2.745 14.517 10.068 1.00 2.44 C ATOM 0 H ILE A 72 2.341 16.838 8.619 1.00 65.45 H new ATOM 0 HA ILE A 72 2.616 18.380 11.137 1.00 24.00 H new ATOM 0 HB ILE A 72 4.526 16.442 9.928 1.00 24.11 H new ATOM 0 HG12 ILE A 72 3.789 14.920 11.898 1.00 45.45 H new ATOM 0 HG13 ILE A 72 2.258 15.759 11.748 1.00 45.45 H new ATOM 0 HG21 ILE A 72 5.296 16.501 12.396 1.00 52.44 H new ATOM 0 HG22 ILE A 72 5.285 18.133 11.687 1.00 52.44 H new ATOM 0 HG23 ILE A 72 3.952 17.614 12.746 1.00 52.44 H new ATOM 0 HD11 ILE A 72 2.230 13.653 10.487 1.00 2.44 H new ATOM 0 HD12 ILE A 72 2.079 15.037 9.379 1.00 2.44 H new ATOM 0 HD13 ILE A 72 3.634 14.185 9.532 1.00 2.44 H new ATOM 1154 N THR A 73 3.543 20.209 9.762 1.00 53.22 N ATOM 1155 CA THR A 73 4.339 21.358 9.430 1.00 45.23 C ATOM 1156 C THR A 73 5.705 21.185 10.106 1.00 62.02 C ATOM 1157 O THR A 73 5.743 21.068 11.337 1.00 64.05 O ATOM 1158 CB THR A 73 3.589 22.616 9.936 1.00 63.03 C ATOM 1159 OG1 THR A 73 2.230 22.379 10.263 1.00 13.50 O ATOM 1160 CG2 THR A 73 3.544 23.618 8.795 1.00 31.11 C ATOM 0 H THR A 73 2.697 20.457 10.275 1.00 53.22 H new ATOM 0 HA THR A 73 4.498 21.466 8.357 1.00 45.23 H new ATOM 0 HB THR A 73 4.119 22.952 10.827 1.00 63.03 H new ATOM 0 HG1 THR A 73 1.819 23.212 10.576 1.00 13.50 H new ATOM 0 HG21 THR A 73 3.021 24.517 9.121 1.00 31.11 H new ATOM 0 HG22 THR A 73 4.560 23.877 8.498 1.00 31.11 H new ATOM 0 HG23 THR A 73 3.019 23.180 7.946 1.00 31.11 H new ATOM 1168 N GLN A 74 6.801 21.074 9.344 1.00 72.15 N ATOM 1169 CA GLN A 74 8.160 21.013 9.853 1.00 30.00 C ATOM 1170 C GLN A 74 9.019 22.046 9.141 1.00 22.33 C ATOM 1171 O GLN A 74 8.583 22.744 8.225 1.00 53.43 O ATOM 1172 CB GLN A 74 8.754 19.610 9.709 1.00 4.31 C ATOM 1173 CG GLN A 74 7.786 18.531 10.182 1.00 53.25 C ATOM 1174 CD GLN A 74 8.504 17.228 10.503 1.00 24.41 C ATOM 1175 OE1 GLN A 74 9.109 17.094 11.567 1.00 44.43 O ATOM 1176 NE2 GLN A 74 8.437 16.236 9.630 1.00 61.24 N ATOM 0 H GLN A 74 6.755 21.023 8.326 1.00 72.15 H new ATOM 0 HA GLN A 74 8.140 21.241 10.919 1.00 30.00 H new ATOM 0 HB2 GLN A 74 9.015 19.432 8.666 1.00 4.31 H new ATOM 0 HB3 GLN A 74 9.678 19.546 10.284 1.00 4.31 H new ATOM 0 HG2 GLN A 74 7.256 18.881 11.068 1.00 53.25 H new ATOM 0 HG3 GLN A 74 7.036 18.352 9.411 1.00 53.25 H new ATOM 0 HE21 GLN A 74 7.932 16.362 8.753 1.00 61.24 H new ATOM 0 HE22 GLN A 74 8.890 15.345 9.834 1.00 61.24 H new ATOM 1185 N GLU A 75 10.256 22.150 9.597 1.00 52.24 N ATOM 1186 CA GLU A 75 11.261 23.082 9.127 1.00 1.53 C ATOM 1187 C GLU A 75 12.579 22.367 8.854 1.00 70.11 C ATOM 1188 O GLU A 75 13.373 22.805 8.022 1.00 14.31 O ATOM 1189 CB GLU A 75 11.408 24.229 10.134 1.00 74.14 C ATOM 1190 CG GLU A 75 10.064 24.944 10.357 1.00 53.52 C ATOM 1191 CD GLU A 75 10.233 26.257 11.105 1.00 43.30 C ATOM 1192 OE1 GLU A 75 10.640 27.259 10.477 1.00 1.13 O ATOM 1193 OE2 GLU A 75 9.926 26.282 12.318 1.00 22.02 O ATOM 0 H GLU A 75 10.603 21.552 10.347 1.00 52.24 H new ATOM 0 HA GLU A 75 10.945 23.513 8.177 1.00 1.53 H new ATOM 0 HB2 GLU A 75 11.778 23.840 11.082 1.00 74.14 H new ATOM 0 HB3 GLU A 75 12.148 24.943 9.772 1.00 74.14 H new ATOM 0 HG2 GLU A 75 9.591 25.134 9.394 1.00 53.52 H new ATOM 0 HG3 GLU A 75 9.395 24.291 10.918 1.00 53.52 H new ATOM 1200 N GLU A 76 12.766 21.194 9.462 1.00 52.11 N ATOM 1201 CA GLU A 76 13.928 20.348 9.186 1.00 30.44 C ATOM 1202 C GLU A 76 13.876 19.809 7.741 1.00 10.13 C ATOM 1203 O GLU A 76 14.922 19.546 7.147 1.00 25.11 O ATOM 1204 CB GLU A 76 14.204 19.329 10.310 1.00 2.25 C ATOM 1205 CG GLU A 76 13.595 18.008 9.951 1.00 44.04 C ATOM 1206 CD GLU A 76 13.892 16.858 10.924 1.00 65.10 C ATOM 1207 OE1 GLU A 76 15.082 16.481 11.076 1.00 2.32 O ATOM 1208 OE2 GLU A 76 12.933 16.290 11.503 1.00 42.31 O ATOM 0 H GLU A 76 12.123 20.807 10.153 1.00 52.11 H new ATOM 0 HA GLU A 76 14.835 20.952 9.212 1.00 30.44 H new ATOM 0 HB2 GLU A 76 15.278 19.218 10.458 1.00 2.25 H new ATOM 0 HB3 GLU A 76 13.788 19.689 11.251 1.00 2.25 H new ATOM 0 HG2 GLU A 76 12.514 18.132 9.882 1.00 44.04 H new ATOM 0 HG3 GLU A 76 13.947 17.722 8.960 1.00 44.04 H new ATOM 1215 N GLY A 77 12.673 19.675 7.173 1.00 70.03 N ATOM 1216 CA GLY A 77 12.471 18.914 5.944 1.00 14.31 C ATOM 1217 C GLY A 77 11.290 19.344 5.072 1.00 50.12 C ATOM 1218 O GLY A 77 11.309 18.979 3.899 1.00 34.25 O ATOM 0 H GLY A 77 11.821 20.089 7.551 1.00 70.03 H new ATOM 0 HA2 GLY A 77 13.380 18.980 5.347 1.00 14.31 H new ATOM 0 HA3 GLY A 77 12.338 17.865 6.208 1.00 14.31 H new ATOM 1222 N GLY A 78 10.294 20.092 5.580 1.00 31.22 N ATOM 1223 CA GLY A 78 9.161 20.548 4.768 1.00 11.42 C ATOM 1224 C GLY A 78 7.832 20.396 5.501 1.00 22.42 C ATOM 1225 O GLY A 78 7.803 20.153 6.706 1.00 32.44 O ATOM 0 H GLY A 78 10.255 20.392 6.554 1.00 31.22 H new ATOM 0 HA2 GLY A 78 9.307 21.594 4.497 1.00 11.42 H new ATOM 0 HA3 GLY A 78 9.129 19.979 3.839 1.00 11.42 H new ATOM 1229 N ILE A 79 6.711 20.494 4.789 1.00 3.42 N ATOM 1230 CA ILE A 79 5.380 20.222 5.315 1.00 33.20 C ATOM 1231 C ILE A 79 5.069 18.759 5.015 1.00 12.53 C ATOM 1232 O ILE A 79 4.785 18.424 3.873 1.00 44.24 O ATOM 1233 CB ILE A 79 4.362 21.230 4.728 1.00 1.13 C ATOM 1234 CG1 ILE A 79 4.755 22.691 5.060 1.00 1.30 C ATOM 1235 CG2 ILE A 79 2.941 20.929 5.228 1.00 63.13 C ATOM 1236 CD1 ILE A 79 3.949 23.745 4.290 1.00 61.24 C ATOM 0 H ILE A 79 6.706 20.771 3.807 1.00 3.42 H new ATOM 0 HA ILE A 79 5.320 20.362 6.394 1.00 33.20 H new ATOM 0 HB ILE A 79 4.378 21.117 3.644 1.00 1.13 H new ATOM 0 HG12 ILE A 79 4.623 22.858 6.129 1.00 1.30 H new ATOM 0 HG13 ILE A 79 5.814 22.829 4.844 1.00 1.30 H new ATOM 0 HG21 ILE A 79 2.245 21.651 4.801 1.00 63.13 H new ATOM 0 HG22 ILE A 79 2.653 19.923 4.922 1.00 63.13 H new ATOM 0 HG23 ILE A 79 2.915 20.999 6.315 1.00 63.13 H new ATOM 0 HD11 ILE A 79 4.284 24.741 4.578 1.00 61.24 H new ATOM 0 HD12 ILE A 79 4.099 23.607 3.219 1.00 61.24 H new ATOM 0 HD13 ILE A 79 2.890 23.636 4.524 1.00 61.24 H new ATOM 1248 N TYR A 80 5.209 17.868 5.998 1.00 43.54 N ATOM 1249 CA TYR A 80 4.844 16.464 5.840 1.00 53.14 C ATOM 1250 C TYR A 80 3.318 16.367 5.880 1.00 32.12 C ATOM 1251 O TYR A 80 2.678 17.038 6.692 1.00 13.22 O ATOM 1252 CB TYR A 80 5.509 15.608 6.931 1.00 44.33 C ATOM 1253 CG TYR A 80 5.924 14.220 6.469 1.00 24.11 C ATOM 1254 CD1 TYR A 80 6.969 14.095 5.540 1.00 33.11 C ATOM 1255 CD2 TYR A 80 5.332 13.054 6.988 1.00 14.40 C ATOM 1256 CE1 TYR A 80 7.444 12.839 5.144 1.00 41.23 C ATOM 1257 CE2 TYR A 80 5.786 11.785 6.583 1.00 25.30 C ATOM 1258 CZ TYR A 80 6.858 11.668 5.667 1.00 1.54 C ATOM 1259 OH TYR A 80 7.329 10.449 5.278 1.00 74.15 O ATOM 0 H TYR A 80 5.577 18.100 6.921 1.00 43.54 H new ATOM 0 HA TYR A 80 5.200 16.077 4.885 1.00 53.14 H new ATOM 0 HB2 TYR A 80 6.389 16.133 7.303 1.00 44.33 H new ATOM 0 HB3 TYR A 80 4.820 15.508 7.769 1.00 44.33 H new ATOM 0 HD1 TYR A 80 7.415 14.985 5.122 1.00 33.11 H new ATOM 0 HD2 TYR A 80 4.525 13.133 7.701 1.00 14.40 H new ATOM 0 HE1 TYR A 80 8.259 12.767 4.439 1.00 41.23 H new ATOM 0 HE2 TYR A 80 5.314 10.896 6.973 1.00 25.30 H new ATOM 0 HH TYR A 80 6.821 9.743 5.729 1.00 74.15 H new ATOM 1269 N VAL A 81 2.706 15.557 5.024 1.00 25.22 N ATOM 1270 CA VAL A 81 1.262 15.412 4.905 1.00 10.33 C ATOM 1271 C VAL A 81 0.950 13.928 4.687 1.00 54.45 C ATOM 1272 O VAL A 81 1.815 13.166 4.253 1.00 41.41 O ATOM 1273 CB VAL A 81 0.752 16.314 3.755 1.00 63.04 C ATOM 1274 CG1 VAL A 81 -0.775 16.355 3.709 1.00 74.44 C ATOM 1275 CG2 VAL A 81 1.215 17.777 3.859 1.00 1.41 C ATOM 0 H VAL A 81 3.220 14.964 4.372 1.00 25.22 H new ATOM 0 HA VAL A 81 0.746 15.734 5.809 1.00 10.33 H new ATOM 0 HB VAL A 81 1.175 15.860 2.859 1.00 63.04 H new ATOM 0 HG11 VAL A 81 -1.097 16.998 2.890 1.00 74.44 H new ATOM 0 HG12 VAL A 81 -1.162 15.348 3.554 1.00 74.44 H new ATOM 0 HG13 VAL A 81 -1.157 16.749 4.651 1.00 74.44 H new ATOM 0 HG21 VAL A 81 0.817 18.345 3.018 1.00 1.41 H new ATOM 0 HG22 VAL A 81 0.852 18.208 4.792 1.00 1.41 H new ATOM 0 HG23 VAL A 81 2.304 17.816 3.841 1.00 1.41 H new ATOM 1285 N SER A 82 -0.263 13.498 5.026 1.00 11.14 N ATOM 1286 CA SER A 82 -0.805 12.182 4.736 1.00 73.25 C ATOM 1287 C SER A 82 -2.288 12.359 4.430 1.00 31.02 C ATOM 1288 O SER A 82 -3.069 12.602 5.352 1.00 63.01 O ATOM 1289 CB SER A 82 -0.563 11.223 5.915 1.00 24.21 C ATOM 1290 OG SER A 82 -0.630 11.874 7.171 1.00 23.11 O ATOM 0 H SER A 82 -0.922 14.088 5.534 1.00 11.14 H new ATOM 0 HA SER A 82 -0.308 11.733 3.876 1.00 73.25 H new ATOM 0 HB2 SER A 82 -1.303 10.423 5.885 1.00 24.21 H new ATOM 0 HB3 SER A 82 0.416 10.757 5.804 1.00 24.21 H new ATOM 0 HG SER A 82 -0.471 11.223 7.886 1.00 23.11 H new ATOM 1296 N LYS A 83 -2.714 12.297 3.162 1.00 11.10 N ATOM 1297 CA LYS A 83 -4.147 12.315 2.848 1.00 4.40 C ATOM 1298 C LYS A 83 -4.453 11.755 1.468 1.00 5.52 C ATOM 1299 O LYS A 83 -3.564 11.436 0.683 1.00 72.45 O ATOM 1300 CB LYS A 83 -4.767 13.716 3.065 1.00 13.41 C ATOM 1301 CG LYS A 83 -4.156 14.856 2.230 1.00 5.40 C ATOM 1302 CD LYS A 83 -4.629 16.220 2.759 1.00 31.04 C ATOM 1303 CE LYS A 83 -3.937 16.581 4.086 1.00 22.04 C ATOM 1304 NZ LYS A 83 -4.799 17.360 4.994 1.00 61.44 N ATOM 0 H LYS A 83 -2.099 12.235 2.351 1.00 11.10 H new ATOM 0 HA LYS A 83 -4.628 11.642 3.558 1.00 4.40 H new ATOM 0 HB2 LYS A 83 -5.833 13.659 2.843 1.00 13.41 H new ATOM 0 HB3 LYS A 83 -4.675 13.974 4.120 1.00 13.41 H new ATOM 0 HG2 LYS A 83 -3.068 14.801 2.269 1.00 5.40 H new ATOM 0 HG3 LYS A 83 -4.444 14.744 1.185 1.00 5.40 H new ATOM 0 HD2 LYS A 83 -4.421 16.991 2.017 1.00 31.04 H new ATOM 0 HD3 LYS A 83 -5.709 16.201 2.904 1.00 31.04 H new ATOM 0 HE2 LYS A 83 -3.625 15.665 4.587 1.00 22.04 H new ATOM 0 HE3 LYS A 83 -3.033 17.152 3.874 1.00 22.04 H new ATOM 0 HZ1 LYS A 83 -4.279 17.573 5.869 1.00 61.44 H new ATOM 0 HZ2 LYS A 83 -5.077 18.249 4.531 1.00 61.44 H new ATOM 0 HZ3 LYS A 83 -5.650 16.808 5.223 1.00 61.44 H new ATOM 1318 N PHE A 84 -5.747 11.632 1.183 1.00 13.20 N ATOM 1319 CA PHE A 84 -6.230 11.445 -0.177 1.00 5.32 C ATOM 1320 C PHE A 84 -5.879 12.654 -1.044 1.00 13.24 C ATOM 1321 O PHE A 84 -6.425 13.742 -0.870 1.00 11.51 O ATOM 1322 CB PHE A 84 -7.734 11.122 -0.227 1.00 70.02 C ATOM 1323 CG PHE A 84 -8.648 12.044 0.561 1.00 74.03 C ATOM 1324 CD1 PHE A 84 -8.840 11.823 1.938 1.00 11.21 C ATOM 1325 CD2 PHE A 84 -9.307 13.117 -0.074 1.00 64.25 C ATOM 1326 CE1 PHE A 84 -9.667 12.686 2.675 1.00 14.33 C ATOM 1327 CE2 PHE A 84 -10.114 13.995 0.670 1.00 4.40 C ATOM 1328 CZ PHE A 84 -10.297 13.775 2.046 1.00 12.32 C ATOM 0 H PHE A 84 -6.485 11.659 1.887 1.00 13.20 H new ATOM 0 HA PHE A 84 -5.720 10.574 -0.588 1.00 5.32 H new ATOM 0 HB2 PHE A 84 -8.052 11.135 -1.270 1.00 70.02 H new ATOM 0 HB3 PHE A 84 -7.878 10.105 0.138 1.00 70.02 H new ATOM 0 HD1 PHE A 84 -8.353 10.992 2.426 1.00 11.21 H new ATOM 0 HD2 PHE A 84 -9.191 13.265 -1.138 1.00 64.25 H new ATOM 0 HE1 PHE A 84 -9.820 12.513 3.730 1.00 14.33 H new ATOM 0 HE2 PHE A 84 -10.591 14.835 0.187 1.00 4.40 H new ATOM 0 HZ PHE A 84 -10.922 14.443 2.621 1.00 12.32 H new ATOM 1338 N THR A 85 -4.996 12.464 -2.014 1.00 63.41 N ATOM 1339 CA THR A 85 -4.666 13.459 -3.026 1.00 31.14 C ATOM 1340 C THR A 85 -5.750 13.556 -4.114 1.00 23.40 C ATOM 1341 O THR A 85 -5.734 14.499 -4.908 1.00 45.51 O ATOM 1342 CB THR A 85 -3.304 13.079 -3.628 1.00 73.15 C ATOM 1343 OG1 THR A 85 -3.310 11.706 -3.977 1.00 34.30 O ATOM 1344 CG2 THR A 85 -2.178 13.315 -2.620 1.00 61.22 C ATOM 0 H THR A 85 -4.476 11.593 -2.122 1.00 63.41 H new ATOM 0 HA THR A 85 -4.615 14.446 -2.566 1.00 31.14 H new ATOM 0 HB THR A 85 -3.135 13.700 -4.508 1.00 73.15 H new ATOM 0 HG1 THR A 85 -2.443 11.463 -4.363 1.00 34.30 H new ATOM 0 HG21 THR A 85 -1.224 13.039 -3.069 1.00 61.22 H new ATOM 0 HG22 THR A 85 -2.156 14.368 -2.339 1.00 61.22 H new ATOM 0 HG23 THR A 85 -2.351 12.707 -1.732 1.00 61.22 H new ATOM 1352 N LEU A 86 -6.703 12.613 -4.167 1.00 73.02 N ATOM 1353 CA LEU A 86 -7.686 12.473 -5.243 1.00 11.10 C ATOM 1354 C LEU A 86 -9.088 12.299 -4.658 1.00 52.44 C ATOM 1355 O LEU A 86 -9.247 11.669 -3.612 1.00 73.24 O ATOM 1356 CB LEU A 86 -7.297 11.256 -6.103 1.00 64.12 C ATOM 1357 CG LEU A 86 -8.215 10.994 -7.314 1.00 30.00 C ATOM 1358 CD1 LEU A 86 -8.181 12.164 -8.306 1.00 74.11 C ATOM 1359 CD2 LEU A 86 -7.836 9.690 -8.019 1.00 45.43 C ATOM 0 H LEU A 86 -6.811 11.907 -3.438 1.00 73.02 H new ATOM 0 HA LEU A 86 -7.694 13.369 -5.863 1.00 11.10 H new ATOM 0 HB2 LEU A 86 -6.277 11.395 -6.462 1.00 64.12 H new ATOM 0 HB3 LEU A 86 -7.294 10.369 -5.470 1.00 64.12 H new ATOM 0 HG LEU A 86 -9.233 10.900 -6.935 1.00 30.00 H new ATOM 0 HD11 LEU A 86 -8.839 11.947 -9.148 1.00 74.11 H new ATOM 0 HD12 LEU A 86 -8.517 13.073 -7.808 1.00 74.11 H new ATOM 0 HD13 LEU A 86 -7.163 12.304 -8.668 1.00 74.11 H new ATOM 0 HD21 LEU A 86 -8.499 9.530 -8.869 1.00 45.43 H new ATOM 0 HD22 LEU A 86 -6.806 9.752 -8.369 1.00 45.43 H new ATOM 0 HD23 LEU A 86 -7.933 8.858 -7.322 1.00 45.43 H new ATOM 1371 N ASN A 87 -10.103 12.792 -5.377 1.00 52.22 N ATOM 1372 CA ASN A 87 -11.520 12.754 -4.999 1.00 62.45 C ATOM 1373 C ASN A 87 -12.376 12.124 -6.107 1.00 71.22 C ATOM 1374 O ASN A 87 -13.555 12.460 -6.241 1.00 32.32 O ATOM 1375 CB ASN A 87 -12.018 14.172 -4.657 1.00 4.10 C ATOM 1376 CG ASN A 87 -11.383 14.695 -3.387 1.00 23.11 C ATOM 1377 OD1 ASN A 87 -11.667 14.191 -2.302 1.00 43.11 O ATOM 1378 ND2 ASN A 87 -10.590 15.742 -3.480 1.00 70.43 N ATOM 0 H ASN A 87 -9.952 13.248 -6.277 1.00 52.22 H new ATOM 0 HA ASN A 87 -11.620 12.127 -4.113 1.00 62.45 H new ATOM 0 HB2 ASN A 87 -11.791 14.847 -5.482 1.00 4.10 H new ATOM 0 HB3 ASN A 87 -13.102 14.160 -4.544 1.00 4.10 H new ATOM 0 HD21 ASN A 87 -10.193 16.157 -2.637 1.00 70.43 H new ATOM 0 HD22 ASN A 87 -10.373 16.138 -4.395 1.00 70.43 H new ATOM 1385 N GLU A 88 -11.807 11.249 -6.938 1.00 54.44 N ATOM 1386 CA GLU A 88 -12.566 10.449 -7.893 1.00 62.44 C ATOM 1387 C GLU A 88 -13.497 9.505 -7.117 1.00 42.15 C ATOM 1388 O GLU A 88 -13.281 9.244 -5.928 1.00 30.01 O ATOM 1389 CB GLU A 88 -11.591 9.672 -8.796 1.00 31.20 C ATOM 1390 CG GLU A 88 -11.113 10.479 -10.014 1.00 3.44 C ATOM 1391 CD GLU A 88 -11.779 10.052 -11.320 1.00 1.30 C ATOM 1392 OE1 GLU A 88 -12.978 10.350 -11.519 1.00 44.52 O ATOM 1393 OE2 GLU A 88 -11.090 9.429 -12.165 1.00 72.15 O ATOM 0 H GLU A 88 -10.802 11.077 -6.965 1.00 54.44 H new ATOM 0 HA GLU A 88 -13.177 11.086 -8.533 1.00 62.44 H new ATOM 0 HB2 GLU A 88 -10.725 9.369 -8.207 1.00 31.20 H new ATOM 0 HB3 GLU A 88 -12.076 8.759 -9.142 1.00 31.20 H new ATOM 0 HG2 GLU A 88 -11.312 11.537 -9.841 1.00 3.44 H new ATOM 0 HG3 GLU A 88 -10.033 10.370 -10.112 1.00 3.44 H new ATOM 1400 N PRO A 89 -14.559 8.993 -7.751 1.00 53.44 N ATOM 1401 CA PRO A 89 -15.593 8.253 -7.047 1.00 10.50 C ATOM 1402 C PRO A 89 -15.173 6.829 -6.700 1.00 45.12 C ATOM 1403 O PRO A 89 -15.498 6.337 -5.619 1.00 4.40 O ATOM 1404 CB PRO A 89 -16.772 8.257 -8.008 1.00 53.24 C ATOM 1405 CG PRO A 89 -16.152 8.340 -9.397 1.00 45.14 C ATOM 1406 CD PRO A 89 -14.936 9.221 -9.139 1.00 32.31 C ATOM 0 HA PRO A 89 -15.822 8.710 -6.085 1.00 10.50 H new ATOM 0 HB2 PRO A 89 -17.373 7.354 -7.898 1.00 53.24 H new ATOM 0 HB3 PRO A 89 -17.431 9.104 -7.819 1.00 53.24 H new ATOM 0 HG2 PRO A 89 -15.873 7.359 -9.780 1.00 45.14 H new ATOM 0 HG3 PRO A 89 -16.833 8.784 -10.123 1.00 45.14 H new ATOM 0 HD2 PRO A 89 -14.118 8.963 -9.812 1.00 32.31 H new ATOM 0 HD3 PRO A 89 -15.172 10.271 -9.311 1.00 32.31 H new ATOM 1414 N LYS A 90 -14.495 6.160 -7.630 1.00 25.24 N ATOM 1415 CA LYS A 90 -14.085 4.759 -7.540 1.00 65.41 C ATOM 1416 C LYS A 90 -12.555 4.618 -7.596 1.00 2.10 C ATOM 1417 O LYS A 90 -12.063 3.501 -7.510 1.00 51.31 O ATOM 1418 CB LYS A 90 -14.791 3.929 -8.640 1.00 31.03 C ATOM 1419 CG LYS A 90 -16.103 3.238 -8.233 1.00 73.13 C ATOM 1420 CD LYS A 90 -17.282 4.184 -7.969 1.00 65.32 C ATOM 1421 CE LYS A 90 -17.578 4.298 -6.473 1.00 32.13 C ATOM 1422 NZ LYS A 90 -18.680 3.413 -6.030 1.00 21.40 N ATOM 0 H LYS A 90 -14.204 6.597 -8.504 1.00 25.24 H new ATOM 0 HA LYS A 90 -14.395 4.364 -6.573 1.00 65.41 H new ATOM 0 HB2 LYS A 90 -14.998 4.586 -9.485 1.00 31.03 H new ATOM 0 HB3 LYS A 90 -14.097 3.166 -8.992 1.00 31.03 H new ATOM 0 HG2 LYS A 90 -16.387 2.539 -9.020 1.00 73.13 H new ATOM 0 HG3 LYS A 90 -15.922 2.649 -7.334 1.00 73.13 H new ATOM 0 HD2 LYS A 90 -17.057 5.171 -8.374 1.00 65.32 H new ATOM 0 HD3 LYS A 90 -18.167 3.820 -8.490 1.00 65.32 H new ATOM 0 HE2 LYS A 90 -16.676 4.055 -5.911 1.00 32.13 H new ATOM 0 HE3 LYS A 90 -17.832 5.331 -6.237 1.00 32.13 H new ATOM 0 HZ1 LYS A 90 -18.834 3.535 -5.009 1.00 21.40 H new ATOM 0 HZ2 LYS A 90 -19.551 3.659 -6.543 1.00 21.40 H new ATOM 0 HZ3 LYS A 90 -18.431 2.423 -6.227 1.00 21.40 H new ATOM 1436 N HIS A 91 -11.777 5.701 -7.700 1.00 71.34 N ATOM 1437 CA HIS A 91 -10.319 5.686 -7.755 1.00 41.52 C ATOM 1438 C HIS A 91 -9.853 6.582 -6.616 1.00 31.12 C ATOM 1439 O HIS A 91 -10.381 7.681 -6.438 1.00 3.54 O ATOM 1440 CB HIS A 91 -9.852 6.177 -9.138 1.00 65.43 C ATOM 1441 CG HIS A 91 -8.361 6.345 -9.352 1.00 54.45 C ATOM 1442 ND1 HIS A 91 -7.806 7.191 -10.288 1.00 23.02 N ATOM 1443 CD2 HIS A 91 -7.327 5.704 -8.718 1.00 24.34 C ATOM 1444 CE1 HIS A 91 -6.471 7.091 -10.201 1.00 73.13 C ATOM 1445 NE2 HIS A 91 -6.129 6.193 -9.259 1.00 73.01 N ATOM 0 H HIS A 91 -12.163 6.644 -7.750 1.00 71.34 H new ATOM 0 HA HIS A 91 -9.895 4.689 -7.633 1.00 41.52 H new ATOM 0 HB2 HIS A 91 -10.223 5.477 -9.887 1.00 65.43 H new ATOM 0 HB3 HIS A 91 -10.331 7.137 -9.334 1.00 65.43 H new ATOM 0 HD2 HIS A 91 -7.419 4.958 -7.943 1.00 24.34 H new ATOM 0 HE1 HIS A 91 -5.770 7.652 -10.802 1.00 73.13 H new ATOM 0 HE2 HIS A 91 -5.183 5.921 -8.991 1.00 73.01 H new ATOM 1453 N LYS A 92 -8.894 6.119 -5.817 1.00 41.24 N ATOM 1454 CA LYS A 92 -8.376 6.853 -4.674 1.00 33.42 C ATOM 1455 C LYS A 92 -6.881 6.589 -4.573 1.00 63.33 C ATOM 1456 O LYS A 92 -6.413 5.510 -4.942 1.00 31.41 O ATOM 1457 CB LYS A 92 -9.114 6.371 -3.406 1.00 41.44 C ATOM 1458 CG LYS A 92 -9.248 7.426 -2.297 1.00 65.24 C ATOM 1459 CD LYS A 92 -10.378 8.425 -2.586 1.00 14.31 C ATOM 1460 CE LYS A 92 -10.688 9.369 -1.410 1.00 63.22 C ATOM 1461 NZ LYS A 92 -11.127 8.662 -0.183 1.00 53.23 N ATOM 0 H LYS A 92 -8.451 5.210 -5.951 1.00 41.24 H new ATOM 0 HA LYS A 92 -8.537 7.926 -4.784 1.00 33.42 H new ATOM 0 HB2 LYS A 92 -10.111 6.034 -3.689 1.00 41.44 H new ATOM 0 HB3 LYS A 92 -8.587 5.506 -3.003 1.00 41.44 H new ATOM 0 HG2 LYS A 92 -9.438 6.929 -1.345 1.00 65.24 H new ATOM 0 HG3 LYS A 92 -8.306 7.964 -2.193 1.00 65.24 H new ATOM 0 HD2 LYS A 92 -10.109 9.022 -3.458 1.00 14.31 H new ATOM 0 HD3 LYS A 92 -11.281 7.873 -2.844 1.00 14.31 H new ATOM 0 HE2 LYS A 92 -9.799 9.957 -1.182 1.00 63.22 H new ATOM 0 HE3 LYS A 92 -11.465 10.071 -1.713 1.00 63.22 H new ATOM 0 HZ1 LYS A 92 -11.463 9.355 0.515 1.00 53.23 H new ATOM 0 HZ2 LYS A 92 -11.898 8.005 -0.418 1.00 53.23 H new ATOM 0 HZ3 LYS A 92 -10.328 8.129 0.215 1.00 53.23 H new ATOM 1475 N ILE A 93 -6.153 7.543 -4.008 1.00 24.03 N ATOM 1476 CA ILE A 93 -4.765 7.396 -3.602 1.00 21.44 C ATOM 1477 C ILE A 93 -4.757 7.742 -2.121 1.00 10.41 C ATOM 1478 O ILE A 93 -5.530 8.598 -1.676 1.00 70.01 O ATOM 1479 CB ILE A 93 -3.855 8.316 -4.454 1.00 50.13 C ATOM 1480 CG1 ILE A 93 -3.905 7.911 -5.948 1.00 21.44 C ATOM 1481 CG2 ILE A 93 -2.390 8.365 -3.975 1.00 22.22 C ATOM 1482 CD1 ILE A 93 -4.725 8.902 -6.765 1.00 12.13 C ATOM 0 H ILE A 93 -6.527 8.472 -3.814 1.00 24.03 H new ATOM 0 HA ILE A 93 -4.371 6.392 -3.759 1.00 21.44 H new ATOM 0 HB ILE A 93 -4.258 9.321 -4.327 1.00 50.13 H new ATOM 0 HG12 ILE A 93 -2.892 7.859 -6.347 1.00 21.44 H new ATOM 0 HG13 ILE A 93 -4.336 6.914 -6.042 1.00 21.44 H new ATOM 0 HG21 ILE A 93 -1.818 9.030 -4.622 1.00 22.22 H new ATOM 0 HG22 ILE A 93 -2.354 8.736 -2.951 1.00 22.22 H new ATOM 0 HG23 ILE A 93 -1.961 7.364 -4.013 1.00 22.22 H new ATOM 0 HD11 ILE A 93 -4.740 8.589 -7.809 1.00 12.13 H new ATOM 0 HD12 ILE A 93 -5.745 8.934 -6.381 1.00 12.13 H new ATOM 0 HD13 ILE A 93 -4.278 9.893 -6.690 1.00 12.13 H new ATOM 1494 N PHE A 94 -3.896 7.079 -1.364 1.00 54.13 N ATOM 1495 CA PHE A 94 -3.320 7.572 -0.134 1.00 44.54 C ATOM 1496 C PHE A 94 -1.859 7.804 -0.468 1.00 33.30 C ATOM 1497 O PHE A 94 -1.203 6.959 -1.083 1.00 50.54 O ATOM 1498 CB PHE A 94 -3.496 6.543 0.988 1.00 52.35 C ATOM 1499 CG PHE A 94 -3.084 6.984 2.387 1.00 45.43 C ATOM 1500 CD1 PHE A 94 -3.456 8.247 2.898 1.00 42.44 C ATOM 1501 CD2 PHE A 94 -2.376 6.090 3.217 1.00 13.20 C ATOM 1502 CE1 PHE A 94 -3.084 8.621 4.202 1.00 71.01 C ATOM 1503 CE2 PHE A 94 -2.011 6.463 4.521 1.00 61.43 C ATOM 1504 CZ PHE A 94 -2.351 7.733 5.007 1.00 71.02 C ATOM 0 H PHE A 94 -3.569 6.143 -1.605 1.00 54.13 H new ATOM 0 HA PHE A 94 -3.797 8.484 0.226 1.00 44.54 H new ATOM 0 HB2 PHE A 94 -4.545 6.248 1.019 1.00 52.35 H new ATOM 0 HB3 PHE A 94 -2.922 5.654 0.728 1.00 52.35 H new ATOM 0 HD1 PHE A 94 -4.028 8.928 2.285 1.00 42.44 H new ATOM 0 HD2 PHE A 94 -2.112 5.110 2.847 1.00 13.20 H new ATOM 0 HE1 PHE A 94 -3.362 9.592 4.585 1.00 71.01 H new ATOM 0 HE2 PHE A 94 -1.469 5.772 5.149 1.00 61.43 H new ATOM 0 HZ PHE A 94 -2.049 8.029 6.001 1.00 71.02 H new ATOM 1514 N GLU A 95 -1.402 8.999 -0.142 1.00 62.42 N ATOM 1515 CA GLU A 95 -0.050 9.475 -0.286 1.00 30.21 C ATOM 1516 C GLU A 95 0.329 9.981 1.110 1.00 4.41 C ATOM 1517 O GLU A 95 -0.525 10.541 1.810 1.00 43.31 O ATOM 1518 CB GLU A 95 -0.009 10.449 -1.491 1.00 74.03 C ATOM 1519 CG GLU A 95 1.027 11.556 -1.573 1.00 10.24 C ATOM 1520 CD GLU A 95 1.045 12.508 -0.384 1.00 11.22 C ATOM 1521 OE1 GLU A 95 0.024 13.181 -0.130 1.00 4.32 O ATOM 1522 OE2 GLU A 95 2.118 12.591 0.255 1.00 11.52 O ATOM 0 H GLU A 95 -2.015 9.709 0.259 1.00 62.42 H new ATOM 0 HA GLU A 95 0.718 8.750 -0.556 1.00 30.21 H new ATOM 0 HB2 GLU A 95 0.104 9.841 -2.388 1.00 74.03 H new ATOM 0 HB3 GLU A 95 -0.988 10.924 -1.549 1.00 74.03 H new ATOM 0 HG2 GLU A 95 2.014 11.103 -1.672 1.00 10.24 H new ATOM 0 HG3 GLU A 95 0.849 12.134 -2.480 1.00 10.24 H new ATOM 1529 N ALA A 96 1.568 9.706 1.538 1.00 30.14 N ATOM 1530 CA ALA A 96 2.105 10.280 2.784 1.00 52.54 C ATOM 1531 C ALA A 96 3.597 10.643 2.696 1.00 23.23 C ATOM 1532 O ALA A 96 4.458 9.752 2.725 1.00 13.12 O ATOM 1533 CB ALA A 96 1.835 9.362 3.982 1.00 70.33 C ATOM 0 H ALA A 96 2.217 9.093 1.044 1.00 30.14 H new ATOM 0 HA ALA A 96 1.570 11.217 2.936 1.00 52.54 H new ATOM 0 HB1 ALA A 96 2.244 9.814 4.886 1.00 70.33 H new ATOM 0 HB2 ALA A 96 0.760 9.224 4.099 1.00 70.33 H new ATOM 0 HB3 ALA A 96 2.309 8.395 3.814 1.00 70.33 H new ATOM 1539 N GLY A 97 3.902 11.939 2.571 1.00 31.41 N ATOM 1540 CA GLY A 97 5.226 12.503 2.320 1.00 65.22 C ATOM 1541 C GLY A 97 5.198 14.039 2.386 1.00 34.32 C ATOM 1542 O GLY A 97 4.171 14.624 2.740 1.00 54.44 O ATOM 0 H GLY A 97 3.187 12.662 2.647 1.00 31.41 H new ATOM 0 HA2 GLY A 97 5.933 12.118 3.054 1.00 65.22 H new ATOM 0 HA3 GLY A 97 5.580 12.185 1.339 1.00 65.22 H new ATOM 1546 N TYR A 98 6.314 14.708 2.080 1.00 33.22 N ATOM 1547 CA TYR A 98 6.436 16.163 2.082 1.00 5.12 C ATOM 1548 C TYR A 98 5.654 16.811 0.940 1.00 31.20 C ATOM 1549 O TYR A 98 5.549 16.257 -0.158 1.00 70.15 O ATOM 1550 CB TYR A 98 7.919 16.573 2.013 1.00 63.24 C ATOM 1551 CG TYR A 98 8.655 16.478 3.338 1.00 74.45 C ATOM 1552 CD1 TYR A 98 8.223 17.283 4.403 1.00 1.12 C ATOM 1553 CD2 TYR A 98 9.729 15.588 3.532 1.00 65.11 C ATOM 1554 CE1 TYR A 98 8.808 17.177 5.676 1.00 42.11 C ATOM 1555 CE2 TYR A 98 10.345 15.492 4.795 1.00 74.20 C ATOM 1556 CZ TYR A 98 9.875 16.272 5.876 1.00 44.40 C ATOM 1557 OH TYR A 98 10.482 16.159 7.088 1.00 53.43 O ATOM 0 H TYR A 98 7.179 14.236 1.817 1.00 33.22 H new ATOM 0 HA TYR A 98 6.004 16.523 3.015 1.00 5.12 H new ATOM 0 HB2 TYR A 98 8.425 15.941 1.283 1.00 63.24 H new ATOM 0 HB3 TYR A 98 7.984 17.598 1.647 1.00 63.24 H new ATOM 0 HD1 TYR A 98 7.428 17.996 4.242 1.00 1.12 H new ATOM 0 HD2 TYR A 98 10.080 14.979 2.712 1.00 65.11 H new ATOM 0 HE1 TYR A 98 8.446 17.782 6.494 1.00 42.11 H new ATOM 0 HE2 TYR A 98 11.179 14.821 4.938 1.00 74.20 H new ATOM 0 HH TYR A 98 11.193 15.487 7.036 1.00 53.43 H new ATOM 1567 N GLU A 99 5.172 18.034 1.182 1.00 74.11 N ATOM 1568 CA GLU A 99 4.413 18.807 0.201 1.00 14.34 C ATOM 1569 C GLU A 99 5.310 19.353 -0.930 1.00 21.01 C ATOM 1570 O GLU A 99 4.794 19.877 -1.923 1.00 32.43 O ATOM 1571 CB GLU A 99 3.610 19.937 0.897 1.00 63.11 C ATOM 1572 CG GLU A 99 2.141 19.884 0.456 1.00 54.55 C ATOM 1573 CD GLU A 99 1.273 21.083 0.873 1.00 24.21 C ATOM 1574 OE1 GLU A 99 1.233 21.465 2.064 1.00 25.14 O ATOM 1575 OE2 GLU A 99 0.493 21.581 0.021 1.00 53.53 O ATOM 0 H GLU A 99 5.300 18.517 2.071 1.00 74.11 H new ATOM 0 HA GLU A 99 3.701 18.131 -0.272 1.00 14.34 H new ATOM 0 HB2 GLU A 99 3.678 19.829 1.980 1.00 63.11 H new ATOM 0 HB3 GLU A 99 4.039 20.907 0.646 1.00 63.11 H new ATOM 0 HG2 GLU A 99 2.110 19.798 -0.630 1.00 54.55 H new ATOM 0 HG3 GLU A 99 1.692 18.977 0.861 1.00 54.55 H new ATOM 1582 N GLU A 100 6.638 19.238 -0.810 1.00 53.14 N ATOM 1583 CA GLU A 100 7.623 19.505 -1.858 1.00 4.34 C ATOM 1584 C GLU A 100 8.835 18.569 -1.714 1.00 71.24 C ATOM 1585 O GLU A 100 9.979 19.016 -1.611 1.00 54.42 O ATOM 1586 CB GLU A 100 7.969 21.008 -1.924 1.00 12.43 C ATOM 1587 CG GLU A 100 8.643 21.619 -0.675 1.00 4.21 C ATOM 1588 CD GLU A 100 8.030 22.957 -0.230 1.00 33.34 C ATOM 1589 OE1 GLU A 100 7.524 23.734 -1.077 1.00 52.12 O ATOM 1590 OE2 GLU A 100 7.974 23.193 1.000 1.00 53.34 O ATOM 0 H GLU A 100 7.073 18.942 0.064 1.00 53.14 H new ATOM 0 HA GLU A 100 7.193 19.273 -2.832 1.00 4.34 H new ATOM 0 HB2 GLU A 100 8.626 21.169 -2.779 1.00 12.43 H new ATOM 0 HB3 GLU A 100 7.050 21.561 -2.120 1.00 12.43 H new ATOM 0 HG2 GLU A 100 8.575 20.907 0.148 1.00 4.21 H new ATOM 0 HG3 GLU A 100 9.703 21.767 -0.881 1.00 4.21 H new ATOM 1597 N SER A 101 8.580 17.256 -1.699 1.00 64.31 N ATOM 1598 CA SER A 101 9.596 16.236 -1.950 1.00 12.52 C ATOM 1599 C SER A 101 8.918 15.040 -2.633 1.00 43.11 C ATOM 1600 O SER A 101 7.807 15.183 -3.157 1.00 61.32 O ATOM 1601 CB SER A 101 10.354 15.889 -0.655 1.00 24.04 C ATOM 1602 OG SER A 101 11.754 15.780 -0.872 1.00 74.34 O ATOM 0 H SER A 101 7.654 16.872 -1.510 1.00 64.31 H new ATOM 0 HA SER A 101 10.367 16.602 -2.628 1.00 12.52 H new ATOM 0 HB2 SER A 101 10.162 16.657 0.095 1.00 24.04 H new ATOM 0 HB3 SER A 101 9.975 14.949 -0.253 1.00 24.04 H new ATOM 0 HG SER A 101 12.200 15.561 -0.027 1.00 74.34 H new ATOM 1608 N GLU A 102 9.584 13.885 -2.672 1.00 11.44 N ATOM 1609 CA GLU A 102 9.029 12.645 -3.213 1.00 13.23 C ATOM 1610 C GLU A 102 8.376 11.821 -2.108 1.00 42.53 C ATOM 1611 O GLU A 102 8.662 11.977 -0.916 1.00 34.12 O ATOM 1612 CB GLU A 102 10.092 11.842 -3.969 1.00 2.24 C ATOM 1613 CG GLU A 102 9.977 12.019 -5.492 1.00 62.33 C ATOM 1614 CD GLU A 102 8.770 11.305 -6.124 1.00 62.41 C ATOM 1615 OE1 GLU A 102 7.715 11.126 -5.470 1.00 52.12 O ATOM 1616 OE2 GLU A 102 8.890 10.914 -7.311 1.00 24.23 O ATOM 0 H GLU A 102 10.537 13.784 -2.324 1.00 11.44 H new ATOM 0 HA GLU A 102 8.254 12.905 -3.934 1.00 13.23 H new ATOM 0 HB2 GLU A 102 11.083 12.156 -3.642 1.00 2.24 H new ATOM 0 HB3 GLU A 102 9.993 10.786 -3.719 1.00 2.24 H new ATOM 0 HG2 GLU A 102 9.914 13.083 -5.718 1.00 62.33 H new ATOM 0 HG3 GLU A 102 10.889 11.647 -5.959 1.00 62.33 H new ATOM 1623 N VAL A 103 7.473 10.940 -2.518 1.00 63.25 N ATOM 1624 CA VAL A 103 6.611 10.198 -1.616 1.00 12.20 C ATOM 1625 C VAL A 103 7.348 9.097 -0.857 1.00 61.01 C ATOM 1626 O VAL A 103 8.426 8.663 -1.259 1.00 64.15 O ATOM 1627 CB VAL A 103 5.434 9.614 -2.410 1.00 51.32 C ATOM 1628 CG1 VAL A 103 4.499 10.706 -2.954 1.00 45.34 C ATOM 1629 CG2 VAL A 103 5.835 8.708 -3.565 1.00 64.24 C ATOM 0 H VAL A 103 7.319 10.720 -3.502 1.00 63.25 H new ATOM 0 HA VAL A 103 6.246 10.893 -0.860 1.00 12.20 H new ATOM 0 HB VAL A 103 4.913 9.002 -1.674 1.00 51.32 H new ATOM 0 HG11 VAL A 103 3.682 10.243 -3.508 1.00 45.34 H new ATOM 0 HG12 VAL A 103 4.093 11.284 -2.124 1.00 45.34 H new ATOM 0 HG13 VAL A 103 5.058 11.367 -3.616 1.00 45.34 H new ATOM 0 HG21 VAL A 103 4.940 8.342 -4.068 1.00 64.24 H new ATOM 0 HG22 VAL A 103 6.445 9.269 -4.273 1.00 64.24 H new ATOM 0 HG23 VAL A 103 6.408 7.863 -3.183 1.00 64.24 H new ATOM 1639 N ASP A 104 6.706 8.569 0.192 1.00 50.35 N ATOM 1640 CA ASP A 104 7.161 7.367 0.894 1.00 24.34 C ATOM 1641 C ASP A 104 6.121 6.254 0.908 1.00 73.05 C ATOM 1642 O ASP A 104 6.472 5.087 1.078 1.00 30.33 O ATOM 1643 CB ASP A 104 7.563 7.721 2.327 1.00 4.42 C ATOM 1644 CG ASP A 104 9.080 7.814 2.427 1.00 64.23 C ATOM 1645 OD1 ASP A 104 9.722 6.768 2.682 1.00 41.52 O ATOM 1646 OD2 ASP A 104 9.625 8.922 2.222 1.00 45.43 O ATOM 0 H ASP A 104 5.851 8.968 0.579 1.00 50.35 H new ATOM 0 HA ASP A 104 8.022 6.988 0.344 1.00 24.34 H new ATOM 0 HB2 ASP A 104 7.111 8.669 2.618 1.00 4.42 H new ATOM 0 HB3 ASP A 104 7.189 6.965 3.017 1.00 4.42 H new ATOM 1651 N LEU A 105 4.842 6.590 0.725 1.00 41.41 N ATOM 1652 CA LEU A 105 3.744 5.662 0.970 1.00 74.42 C ATOM 1653 C LEU A 105 2.646 5.932 -0.037 1.00 5.11 C ATOM 1654 O LEU A 105 1.823 6.819 0.174 1.00 63.41 O ATOM 1655 CB LEU A 105 3.271 5.837 2.428 1.00 51.24 C ATOM 1656 CG LEU A 105 2.110 4.932 2.888 1.00 70.32 C ATOM 1657 CD1 LEU A 105 2.582 3.504 3.169 1.00 52.54 C ATOM 1658 CD2 LEU A 105 1.488 5.486 4.175 1.00 73.34 C ATOM 0 H LEU A 105 4.543 7.511 0.404 1.00 41.41 H new ATOM 0 HA LEU A 105 4.056 4.625 0.845 1.00 74.42 H new ATOM 0 HB2 LEU A 105 4.122 5.661 3.086 1.00 51.24 H new ATOM 0 HB3 LEU A 105 2.970 6.875 2.567 1.00 51.24 H new ATOM 0 HG LEU A 105 1.379 4.915 2.080 1.00 70.32 H new ATOM 0 HD11 LEU A 105 1.735 2.898 3.491 1.00 52.54 H new ATOM 0 HD12 LEU A 105 3.010 3.077 2.262 1.00 52.54 H new ATOM 0 HD13 LEU A 105 3.337 3.518 3.955 1.00 52.54 H new ATOM 0 HD21 LEU A 105 0.669 4.840 4.491 1.00 73.34 H new ATOM 0 HD22 LEU A 105 2.245 5.522 4.959 1.00 73.34 H new ATOM 0 HD23 LEU A 105 1.107 6.491 3.992 1.00 73.34 H new ATOM 1670 N ARG A 106 2.690 5.247 -1.179 1.00 72.31 N ATOM 1671 CA ARG A 106 1.622 5.233 -2.175 1.00 3.31 C ATOM 1672 C ARG A 106 0.851 3.971 -1.884 1.00 63.44 C ATOM 1673 O ARG A 106 1.407 2.871 -1.887 1.00 51.14 O ATOM 1674 CB ARG A 106 2.092 5.209 -3.648 1.00 64.42 C ATOM 1675 CG ARG A 106 2.894 6.440 -4.070 1.00 25.14 C ATOM 1676 CD ARG A 106 2.016 7.648 -4.460 1.00 62.25 C ATOM 1677 NE ARG A 106 1.355 7.498 -5.776 1.00 12.14 N ATOM 1678 CZ ARG A 106 1.360 8.357 -6.807 1.00 53.34 C ATOM 1679 NH1 ARG A 106 2.061 9.484 -6.788 1.00 53.43 N ATOM 1680 NH2 ARG A 106 0.617 8.087 -7.869 1.00 63.02 N ATOM 0 H ARG A 106 3.490 4.672 -1.443 1.00 72.31 H new ATOM 0 HA ARG A 106 1.049 6.156 -2.090 1.00 3.31 H new ATOM 0 HB2 ARG A 106 2.701 4.320 -3.809 1.00 64.42 H new ATOM 0 HB3 ARG A 106 1.219 5.119 -4.295 1.00 64.42 H new ATOM 0 HG2 ARG A 106 3.554 6.731 -3.253 1.00 25.14 H new ATOM 0 HG3 ARG A 106 3.530 6.176 -4.915 1.00 25.14 H new ATOM 0 HD2 ARG A 106 1.254 7.795 -3.695 1.00 62.25 H new ATOM 0 HD3 ARG A 106 2.633 8.546 -4.473 1.00 62.25 H new ATOM 0 HE ARG A 106 0.831 6.634 -5.917 1.00 12.14 H new ATOM 0 HH11 ARG A 106 2.621 9.722 -5.970 1.00 53.43 H new ATOM 0 HH12 ARG A 106 2.039 10.112 -7.592 1.00 53.43 H new ATOM 0 HH21 ARG A 106 0.053 7.237 -7.894 1.00 63.02 H new ATOM 0 HH22 ARG A 106 0.608 8.729 -8.662 1.00 63.02 H new ATOM 1694 N VAL A 107 -0.428 4.136 -1.615 1.00 43.53 N ATOM 1695 CA VAL A 107 -1.357 3.026 -1.637 1.00 2.11 C ATOM 1696 C VAL A 107 -2.545 3.499 -2.433 1.00 45.21 C ATOM 1697 O VAL A 107 -3.160 4.514 -2.103 1.00 25.41 O ATOM 1698 CB VAL A 107 -1.747 2.544 -0.235 1.00 52.45 C ATOM 1699 CG1 VAL A 107 -2.444 1.186 -0.384 1.00 72.25 C ATOM 1700 CG2 VAL A 107 -0.545 2.403 0.701 1.00 62.33 C ATOM 0 H VAL A 107 -0.849 5.034 -1.377 1.00 43.53 H new ATOM 0 HA VAL A 107 -0.898 2.150 -2.096 1.00 2.11 H new ATOM 0 HB VAL A 107 -2.404 3.289 0.214 1.00 52.45 H new ATOM 0 HG11 VAL A 107 -2.734 0.816 0.599 1.00 72.25 H new ATOM 0 HG12 VAL A 107 -3.332 1.299 -1.006 1.00 72.25 H new ATOM 0 HG13 VAL A 107 -1.762 0.476 -0.852 1.00 72.25 H new ATOM 0 HG21 VAL A 107 -0.883 2.059 1.678 1.00 62.33 H new ATOM 0 HG22 VAL A 107 0.157 1.681 0.285 1.00 62.33 H new ATOM 0 HG23 VAL A 107 -0.051 3.369 0.807 1.00 62.33 H new ATOM 1710 N GLU A 108 -2.843 2.795 -3.514 1.00 72.34 N ATOM 1711 CA GLU A 108 -3.868 3.227 -4.432 1.00 11.13 C ATOM 1712 C GLU A 108 -4.947 2.159 -4.467 1.00 4.12 C ATOM 1713 O GLU A 108 -4.678 0.955 -4.347 1.00 5.21 O ATOM 1714 CB GLU A 108 -3.255 3.566 -5.795 1.00 63.45 C ATOM 1715 CG GLU A 108 -2.204 4.682 -5.670 1.00 21.11 C ATOM 1716 CD GLU A 108 -1.643 5.148 -7.013 1.00 11.22 C ATOM 1717 OE1 GLU A 108 -2.311 4.986 -8.059 1.00 2.12 O ATOM 1718 OE2 GLU A 108 -0.521 5.699 -7.030 1.00 62.05 O ATOM 0 H GLU A 108 -2.385 1.921 -3.771 1.00 72.34 H new ATOM 0 HA GLU A 108 -4.342 4.153 -4.105 1.00 11.13 H new ATOM 0 HB2 GLU A 108 -2.794 2.675 -6.221 1.00 63.45 H new ATOM 0 HB3 GLU A 108 -4.041 3.878 -6.483 1.00 63.45 H new ATOM 0 HG2 GLU A 108 -2.650 5.534 -5.157 1.00 21.11 H new ATOM 0 HG3 GLU A 108 -1.383 4.328 -5.046 1.00 21.11 H new ATOM 1725 N PHE A 109 -6.182 2.612 -4.635 1.00 34.20 N ATOM 1726 CA PHE A 109 -7.366 1.781 -4.652 1.00 24.14 C ATOM 1727 C PHE A 109 -8.144 2.180 -5.890 1.00 45.24 C ATOM 1728 O PHE A 109 -8.339 3.366 -6.157 1.00 52.33 O ATOM 1729 CB PHE A 109 -8.194 1.986 -3.374 1.00 11.13 C ATOM 1730 CG PHE A 109 -7.433 1.820 -2.068 1.00 3.21 C ATOM 1731 CD1 PHE A 109 -6.801 0.600 -1.760 1.00 25.20 C ATOM 1732 CD2 PHE A 109 -7.371 2.883 -1.145 1.00 64.14 C ATOM 1733 CE1 PHE A 109 -6.113 0.446 -0.541 1.00 52.32 C ATOM 1734 CE2 PHE A 109 -6.687 2.728 0.075 1.00 65.15 C ATOM 1735 CZ PHE A 109 -6.061 1.508 0.376 1.00 65.01 C ATOM 0 H PHE A 109 -6.388 3.602 -4.767 1.00 34.20 H new ATOM 0 HA PHE A 109 -7.111 0.722 -4.681 1.00 24.14 H new ATOM 0 HB2 PHE A 109 -8.626 2.987 -3.398 1.00 11.13 H new ATOM 0 HB3 PHE A 109 -9.025 1.280 -3.383 1.00 11.13 H new ATOM 0 HD1 PHE A 109 -6.844 -0.220 -2.461 1.00 25.20 H new ATOM 0 HD2 PHE A 109 -7.851 3.822 -1.375 1.00 64.14 H new ATOM 0 HE1 PHE A 109 -5.625 -0.490 -0.311 1.00 52.32 H new ATOM 0 HE2 PHE A 109 -6.644 3.546 0.779 1.00 65.15 H new ATOM 0 HZ PHE A 109 -5.539 1.386 1.314 1.00 65.01 H new ATOM 1745 N GLU A 110 -8.589 1.193 -6.645 1.00 25.41 N ATOM 1746 CA GLU A 110 -9.614 1.353 -7.653 1.00 41.33 C ATOM 1747 C GLU A 110 -10.758 0.446 -7.225 1.00 23.23 C ATOM 1748 O GLU A 110 -10.581 -0.408 -6.351 1.00 71.41 O ATOM 1749 CB GLU A 110 -9.062 0.961 -9.031 1.00 51.31 C ATOM 1750 CG GLU A 110 -8.270 2.099 -9.691 1.00 64.04 C ATOM 1751 CD GLU A 110 -7.697 1.714 -11.062 1.00 65.01 C ATOM 1752 OE1 GLU A 110 -7.792 0.541 -11.492 1.00 22.30 O ATOM 1753 OE2 GLU A 110 -7.165 2.598 -11.774 1.00 30.04 O ATOM 0 H GLU A 110 -8.239 0.238 -6.571 1.00 25.41 H new ATOM 0 HA GLU A 110 -9.953 2.385 -7.740 1.00 41.33 H new ATOM 0 HB2 GLU A 110 -8.418 0.088 -8.926 1.00 51.31 H new ATOM 0 HB3 GLU A 110 -9.888 0.672 -9.681 1.00 51.31 H new ATOM 0 HG2 GLU A 110 -8.919 2.967 -9.805 1.00 64.04 H new ATOM 0 HG3 GLU A 110 -7.454 2.396 -9.032 1.00 64.04 H new ATOM 1760 N LEU A 111 -11.916 0.601 -7.854 1.00 53.43 N ATOM 1761 CA LEU A 111 -12.927 -0.436 -7.887 1.00 32.33 C ATOM 1762 C LEU A 111 -12.762 -1.191 -9.197 1.00 73.23 C ATOM 1763 O LEU A 111 -12.757 -0.591 -10.275 1.00 21.00 O ATOM 1764 CB LEU A 111 -14.324 0.168 -7.772 1.00 12.50 C ATOM 1765 CG LEU A 111 -15.369 -0.934 -7.523 1.00 10.31 C ATOM 1766 CD1 LEU A 111 -15.441 -1.306 -6.041 1.00 44.42 C ATOM 1767 CD2 LEU A 111 -16.733 -0.458 -7.990 1.00 50.34 C ATOM 0 H LEU A 111 -12.176 1.451 -8.354 1.00 53.43 H new ATOM 0 HA LEU A 111 -12.807 -1.116 -7.044 1.00 32.33 H new ATOM 0 HB2 LEU A 111 -14.348 0.891 -6.957 1.00 12.50 H new ATOM 0 HB3 LEU A 111 -14.569 0.710 -8.686 1.00 12.50 H new ATOM 0 HG LEU A 111 -15.069 -1.819 -8.085 1.00 10.31 H new ATOM 0 HD11 LEU A 111 -16.188 -2.087 -5.898 1.00 44.42 H new ATOM 0 HD12 LEU A 111 -14.468 -1.669 -5.709 1.00 44.42 H new ATOM 0 HD13 LEU A 111 -15.718 -0.427 -5.458 1.00 44.42 H new ATOM 0 HD21 LEU A 111 -17.472 -1.240 -7.813 1.00 50.34 H new ATOM 0 HD22 LEU A 111 -17.014 0.439 -7.438 1.00 50.34 H new ATOM 0 HD23 LEU A 111 -16.694 -0.231 -9.055 1.00 50.34 H new ATOM 1779 N GLN A 112 -12.610 -2.504 -9.109 1.00 43.33 N ATOM 1780 CA GLN A 112 -12.501 -3.429 -10.205 1.00 43.11 C ATOM 1781 C GLN A 112 -13.877 -3.937 -10.588 1.00 23.24 C ATOM 1782 O GLN A 112 -14.797 -3.966 -9.770 1.00 64.32 O ATOM 1783 CB GLN A 112 -11.613 -4.586 -9.739 1.00 25.34 C ATOM 1784 CG GLN A 112 -10.161 -4.238 -10.046 1.00 64.21 C ATOM 1785 CD GLN A 112 -9.660 -2.877 -9.564 1.00 65.12 C ATOM 1786 OE1 GLN A 112 -9.681 -2.574 -8.382 1.00 5.21 O ATOM 1787 NE2 GLN A 112 -9.189 -2.047 -10.482 1.00 51.14 N ATOM 0 H GLN A 112 -12.557 -2.973 -8.205 1.00 43.33 H new ATOM 0 HA GLN A 112 -12.067 -2.947 -11.081 1.00 43.11 H new ATOM 0 HB2 GLN A 112 -11.743 -4.756 -8.670 1.00 25.34 H new ATOM 0 HB3 GLN A 112 -11.896 -5.508 -10.246 1.00 25.34 H new ATOM 0 HG2 GLN A 112 -9.527 -5.008 -9.606 1.00 64.21 H new ATOM 0 HG3 GLN A 112 -10.021 -4.288 -11.126 1.00 64.21 H new ATOM 0 HE21 GLN A 112 -9.182 -2.323 -11.464 1.00 51.14 H new ATOM 0 HE22 GLN A 112 -8.833 -1.131 -10.207 1.00 51.14 H new ATOM 1796 N ALA A 113 -13.968 -4.475 -11.800 1.00 24.02 N ATOM 1797 CA ALA A 113 -15.159 -5.107 -12.345 1.00 45.43 C ATOM 1798 C ALA A 113 -15.593 -6.370 -11.583 1.00 51.24 C ATOM 1799 O ALA A 113 -16.563 -7.007 -11.970 1.00 11.44 O ATOM 1800 CB ALA A 113 -14.859 -5.429 -13.804 1.00 1.31 C ATOM 0 H ALA A 113 -13.184 -4.482 -12.452 1.00 24.02 H new ATOM 0 HA ALA A 113 -16.000 -4.421 -12.245 1.00 45.43 H new ATOM 0 HB1 ALA A 113 -15.728 -5.907 -14.257 1.00 1.31 H new ATOM 0 HB2 ALA A 113 -14.630 -4.508 -14.340 1.00 1.31 H new ATOM 0 HB3 ALA A 113 -14.004 -6.103 -13.860 1.00 1.31 H new ATOM 1806 N ASP A 114 -14.878 -6.779 -10.528 1.00 4.23 N ATOM 1807 CA ASP A 114 -15.366 -7.789 -9.578 1.00 73.21 C ATOM 1808 C ASP A 114 -16.373 -7.183 -8.585 1.00 10.12 C ATOM 1809 O ASP A 114 -16.934 -7.883 -7.745 1.00 4.24 O ATOM 1810 CB ASP A 114 -14.184 -8.411 -8.819 1.00 24.21 C ATOM 1811 CG ASP A 114 -14.611 -9.664 -8.043 1.00 13.53 C ATOM 1812 OD1 ASP A 114 -15.291 -10.530 -8.631 1.00 72.43 O ATOM 1813 OD2 ASP A 114 -14.216 -9.838 -6.869 1.00 54.12 O ATOM 0 H ASP A 114 -13.948 -6.421 -10.308 1.00 4.23 H new ATOM 0 HA ASP A 114 -15.879 -8.566 -10.145 1.00 73.21 H new ATOM 0 HB2 ASP A 114 -13.394 -8.670 -9.523 1.00 24.21 H new ATOM 0 HB3 ASP A 114 -13.768 -7.678 -8.128 1.00 24.21 H new ATOM 1818 N GLY A 115 -16.604 -5.867 -8.647 1.00 4.30 N ATOM 1819 CA GLY A 115 -17.442 -5.145 -7.703 1.00 25.24 C ATOM 1820 C GLY A 115 -16.733 -4.931 -6.370 1.00 14.44 C ATOM 1821 O GLY A 115 -17.391 -4.581 -5.391 1.00 54.23 O ATOM 0 H GLY A 115 -16.203 -5.270 -9.370 1.00 4.30 H new ATOM 0 HA2 GLY A 115 -17.720 -4.180 -8.127 1.00 25.24 H new ATOM 0 HA3 GLY A 115 -18.366 -5.699 -7.539 1.00 25.24 H new ATOM 1825 N LYS A 116 -15.419 -5.156 -6.293 1.00 61.25 N ATOM 1826 CA LYS A 116 -14.605 -5.035 -5.092 1.00 72.23 C ATOM 1827 C LYS A 116 -13.432 -4.114 -5.400 1.00 1.30 C ATOM 1828 O LYS A 116 -13.035 -3.959 -6.556 1.00 5.43 O ATOM 1829 CB LYS A 116 -14.117 -6.424 -4.648 1.00 1.21 C ATOM 1830 CG LYS A 116 -15.224 -7.274 -4.000 1.00 44.43 C ATOM 1831 CD LYS A 116 -14.757 -8.700 -3.673 1.00 71.12 C ATOM 1832 CE LYS A 116 -13.620 -8.770 -2.648 1.00 1.13 C ATOM 1833 NZ LYS A 116 -12.950 -10.088 -2.666 1.00 52.31 N ATOM 0 H LYS A 116 -14.873 -5.440 -7.107 1.00 61.25 H new ATOM 0 HA LYS A 116 -15.190 -4.613 -4.275 1.00 72.23 H new ATOM 0 HB2 LYS A 116 -13.718 -6.956 -5.512 1.00 1.21 H new ATOM 0 HB3 LYS A 116 -13.297 -6.305 -3.940 1.00 1.21 H new ATOM 0 HG2 LYS A 116 -15.562 -6.787 -3.085 1.00 44.43 H new ATOM 0 HG3 LYS A 116 -16.081 -7.321 -4.672 1.00 44.43 H new ATOM 0 HD2 LYS A 116 -15.606 -9.271 -3.297 1.00 71.12 H new ATOM 0 HD3 LYS A 116 -14.431 -9.184 -4.594 1.00 71.12 H new ATOM 0 HE2 LYS A 116 -12.891 -7.988 -2.859 1.00 1.13 H new ATOM 0 HE3 LYS A 116 -14.016 -8.576 -1.651 1.00 1.13 H new ATOM 0 HZ1 LYS A 116 -12.186 -10.099 -1.960 1.00 52.31 H new ATOM 0 HZ2 LYS A 116 -13.641 -10.832 -2.440 1.00 52.31 H new ATOM 0 HZ3 LYS A 116 -12.551 -10.262 -3.610 1.00 52.31 H new ATOM 1847 N TRP A 117 -12.892 -3.506 -4.351 1.00 30.41 N ATOM 1848 CA TRP A 117 -11.799 -2.557 -4.400 1.00 52.21 C ATOM 1849 C TRP A 117 -10.488 -3.329 -4.331 1.00 50.23 C ATOM 1850 O TRP A 117 -10.095 -3.729 -3.232 1.00 4.43 O ATOM 1851 CB TRP A 117 -11.918 -1.586 -3.217 1.00 14.10 C ATOM 1852 CG TRP A 117 -13.108 -0.671 -3.205 1.00 3.12 C ATOM 1853 CD1 TRP A 117 -14.359 -0.975 -2.777 1.00 41.53 C ATOM 1854 CD2 TRP A 117 -13.148 0.737 -3.594 1.00 42.11 C ATOM 1855 NE1 TRP A 117 -15.158 0.144 -2.892 1.00 25.02 N ATOM 1856 CE2 TRP A 117 -14.474 1.220 -3.409 1.00 54.23 C ATOM 1857 CE3 TRP A 117 -12.197 1.654 -4.088 1.00 21.00 C ATOM 1858 CZ2 TRP A 117 -14.854 2.529 -3.737 1.00 44.35 C ATOM 1859 CZ3 TRP A 117 -12.548 2.988 -4.365 1.00 22.02 C ATOM 1860 CH2 TRP A 117 -13.873 3.426 -4.194 1.00 44.51 C ATOM 0 H TRP A 117 -13.223 -3.673 -3.401 1.00 30.41 H new ATOM 0 HA TRP A 117 -11.830 -1.981 -5.325 1.00 52.21 H new ATOM 0 HB2 TRP A 117 -11.931 -2.172 -2.298 1.00 14.10 H new ATOM 0 HB3 TRP A 117 -11.018 -0.972 -3.191 1.00 14.10 H new ATOM 0 HD1 TRP A 117 -14.678 -1.938 -2.406 1.00 41.53 H new ATOM 0 HE1 TRP A 117 -16.142 0.170 -2.625 1.00 25.02 H new ATOM 0 HE3 TRP A 117 -11.182 1.326 -4.257 1.00 21.00 H new ATOM 0 HZ2 TRP A 117 -15.883 2.843 -3.640 1.00 44.35 H new ATOM 0 HZ3 TRP A 117 -11.795 3.680 -4.711 1.00 22.02 H new ATOM 0 HH2 TRP A 117 -14.137 4.450 -4.413 1.00 44.51 H new ATOM 1871 N TYR A 118 -9.843 -3.631 -5.458 1.00 4.43 N ATOM 1872 CA TYR A 118 -8.565 -4.338 -5.423 1.00 11.30 C ATOM 1873 C TYR A 118 -7.477 -3.273 -5.232 1.00 51.21 C ATOM 1874 O TYR A 118 -7.511 -2.206 -5.847 1.00 10.32 O ATOM 1875 CB TYR A 118 -8.340 -5.137 -6.712 1.00 21.24 C ATOM 1876 CG TYR A 118 -9.228 -6.345 -6.977 1.00 51.35 C ATOM 1877 CD1 TYR A 118 -10.314 -6.689 -6.143 1.00 75.15 C ATOM 1878 CD2 TYR A 118 -8.931 -7.160 -8.088 1.00 5.41 C ATOM 1879 CE1 TYR A 118 -11.053 -7.857 -6.393 1.00 12.43 C ATOM 1880 CE2 TYR A 118 -9.670 -8.320 -8.348 1.00 61.14 C ATOM 1881 CZ TYR A 118 -10.715 -8.688 -7.479 1.00 61.05 C ATOM 1882 OH TYR A 118 -11.396 -9.844 -7.667 1.00 60.01 O ATOM 0 H TYR A 118 -10.179 -3.401 -6.393 1.00 4.43 H new ATOM 0 HA TYR A 118 -8.544 -5.061 -4.608 1.00 11.30 H new ATOM 0 HB2 TYR A 118 -8.452 -4.451 -7.552 1.00 21.24 H new ATOM 0 HB3 TYR A 118 -7.305 -5.478 -6.715 1.00 21.24 H new ATOM 0 HD1 TYR A 118 -10.577 -6.053 -5.311 1.00 75.15 H new ATOM 0 HD2 TYR A 118 -8.122 -6.885 -8.748 1.00 5.41 H new ATOM 0 HE1 TYR A 118 -11.882 -8.118 -5.752 1.00 12.43 H new ATOM 0 HE2 TYR A 118 -9.440 -8.929 -9.210 1.00 61.14 H new ATOM 0 HH TYR A 118 -12.238 -9.812 -7.167 1.00 60.01 H new ATOM 1892 N VAL A 119 -6.498 -3.546 -4.376 1.00 11.14 N ATOM 1893 CA VAL A 119 -5.385 -2.637 -4.129 1.00 64.21 C ATOM 1894 C VAL A 119 -4.498 -2.588 -5.378 1.00 74.35 C ATOM 1895 O VAL A 119 -3.913 -3.606 -5.754 1.00 72.35 O ATOM 1896 CB VAL A 119 -4.605 -3.086 -2.882 1.00 43.34 C ATOM 1897 CG1 VAL A 119 -3.510 -2.076 -2.544 1.00 73.12 C ATOM 1898 CG2 VAL A 119 -5.507 -3.200 -1.653 1.00 51.33 C ATOM 0 H VAL A 119 -6.454 -4.408 -3.832 1.00 11.14 H new ATOM 0 HA VAL A 119 -5.753 -1.630 -3.931 1.00 64.21 H new ATOM 0 HB VAL A 119 -4.182 -4.062 -3.120 1.00 43.34 H new ATOM 0 HG11 VAL A 119 -2.968 -2.409 -1.659 1.00 73.12 H new ATOM 0 HG12 VAL A 119 -2.819 -1.994 -3.383 1.00 73.12 H new ATOM 0 HG13 VAL A 119 -3.960 -1.103 -2.348 1.00 73.12 H new ATOM 0 HG21 VAL A 119 -4.915 -3.520 -0.796 1.00 51.33 H new ATOM 0 HG22 VAL A 119 -5.958 -2.230 -1.441 1.00 51.33 H new ATOM 0 HG23 VAL A 119 -6.292 -3.931 -1.845 1.00 51.33 H new ATOM 1908 N VAL A 120 -4.378 -1.415 -6.000 1.00 32.34 N ATOM 1909 CA VAL A 120 -3.676 -1.202 -7.271 1.00 51.12 C ATOM 1910 C VAL A 120 -2.256 -0.647 -7.096 1.00 62.31 C ATOM 1911 O VAL A 120 -1.563 -0.520 -8.108 1.00 72.25 O ATOM 1912 CB VAL A 120 -4.507 -0.328 -8.246 1.00 14.51 C ATOM 1913 CG1 VAL A 120 -5.611 -1.130 -8.932 1.00 73.03 C ATOM 1914 CG2 VAL A 120 -5.131 0.900 -7.588 1.00 31.30 C ATOM 0 H VAL A 120 -4.779 -0.557 -5.622 1.00 32.34 H new ATOM 0 HA VAL A 120 -3.563 -2.190 -7.716 1.00 51.12 H new ATOM 0 HB VAL A 120 -3.785 0.017 -8.986 1.00 14.51 H new ATOM 0 HG11 VAL A 120 -6.168 -0.479 -9.606 1.00 73.03 H new ATOM 0 HG12 VAL A 120 -5.167 -1.947 -9.501 1.00 73.03 H new ATOM 0 HG13 VAL A 120 -6.286 -1.537 -8.179 1.00 73.03 H new ATOM 0 HG21 VAL A 120 -5.697 1.463 -8.331 1.00 31.30 H new ATOM 0 HG22 VAL A 120 -5.799 0.584 -6.786 1.00 31.30 H new ATOM 0 HG23 VAL A 120 -4.344 1.532 -7.176 1.00 31.30 H new ATOM 1924 N ASP A 121 -1.779 -0.420 -5.862 1.00 51.54 N ATOM 1925 CA ASP A 121 -0.390 -0.051 -5.569 1.00 24.30 C ATOM 1926 C ASP A 121 0.084 -0.582 -4.219 1.00 74.42 C ATOM 1927 O ASP A 121 -0.743 -0.866 -3.349 1.00 74.31 O ATOM 1928 CB ASP A 121 -0.134 1.461 -5.605 1.00 50.55 C ATOM 1929 CG ASP A 121 1.351 1.619 -5.902 1.00 1.41 C ATOM 1930 OD1 ASP A 121 1.789 1.132 -6.975 1.00 3.33 O ATOM 1931 OD2 ASP A 121 2.084 2.023 -4.986 1.00 23.03 O ATOM 0 H ASP A 121 -2.360 -0.490 -5.027 1.00 51.54 H new ATOM 0 HA ASP A 121 0.180 -0.520 -6.371 1.00 24.30 H new ATOM 0 HB2 ASP A 121 -0.740 1.943 -6.372 1.00 50.55 H new ATOM 0 HB3 ASP A 121 -0.395 1.925 -4.654 1.00 50.55 H new ATOM 1936 N CYS A 122 1.388 -0.765 -4.028 1.00 44.55 N ATOM 1937 CA CYS A 122 2.016 -1.122 -2.773 1.00 3.13 C ATOM 1938 C CYS A 122 3.412 -0.488 -2.701 1.00 21.43 C ATOM 1939 O CYS A 122 4.388 -1.087 -3.163 1.00 43.43 O ATOM 1940 CB CYS A 122 2.076 -2.652 -2.687 1.00 74.41 C ATOM 1941 SG CYS A 122 2.333 -3.195 -0.983 1.00 22.20 S ATOM 0 H CYS A 122 2.063 -0.662 -4.786 1.00 44.55 H new ATOM 0 HA CYS A 122 1.444 -0.746 -1.925 1.00 3.13 H new ATOM 0 HB2 CYS A 122 1.150 -3.078 -3.072 1.00 74.41 H new ATOM 0 HB3 CYS A 122 2.884 -3.024 -3.317 1.00 74.41 H new ATOM 0 HG CYS A 122 1.468 -4.119 -0.687 1.00 22.20 H new ATOM 1947 N TYR A 123 3.518 0.688 -2.085 1.00 53.35 N ATOM 1948 CA TYR A 123 4.765 1.412 -1.868 1.00 44.54 C ATOM 1949 C TYR A 123 4.796 1.914 -0.427 1.00 23.42 C ATOM 1950 O TYR A 123 3.762 2.345 0.071 1.00 54.33 O ATOM 1951 CB TYR A 123 4.797 2.589 -2.836 1.00 44.24 C ATOM 1952 CG TYR A 123 6.083 3.382 -2.815 1.00 30.02 C ATOM 1953 CD1 TYR A 123 7.242 2.808 -3.362 1.00 42.51 C ATOM 1954 CD2 TYR A 123 6.136 4.672 -2.252 1.00 34.42 C ATOM 1955 CE1 TYR A 123 8.442 3.532 -3.365 1.00 24.33 C ATOM 1956 CE2 TYR A 123 7.347 5.387 -2.235 1.00 3.11 C ATOM 1957 CZ TYR A 123 8.516 4.816 -2.784 1.00 11.54 C ATOM 1958 OH TYR A 123 9.704 5.480 -2.798 1.00 41.13 O ATOM 0 H TYR A 123 2.706 1.179 -1.710 1.00 53.35 H new ATOM 0 HA TYR A 123 5.629 0.770 -2.038 1.00 44.54 H new ATOM 0 HB2 TYR A 123 4.631 2.217 -3.847 1.00 44.24 H new ATOM 0 HB3 TYR A 123 3.969 3.258 -2.603 1.00 44.24 H new ATOM 0 HD1 TYR A 123 7.209 1.812 -3.779 1.00 42.51 H new ATOM 0 HD2 TYR A 123 5.244 5.113 -1.832 1.00 34.42 H new ATOM 0 HE1 TYR A 123 9.323 3.101 -3.818 1.00 24.33 H new ATOM 0 HE2 TYR A 123 7.383 6.375 -1.801 1.00 3.11 H new ATOM 0 HH TYR A 123 9.597 6.351 -2.362 1.00 41.13 H new ATOM 1968 N THR A 124 5.936 1.815 0.267 1.00 3.23 N ATOM 1969 CA THR A 124 5.981 1.977 1.727 1.00 30.44 C ATOM 1970 C THR A 124 7.404 2.220 2.259 1.00 75.02 C ATOM 1971 O THR A 124 7.729 1.849 3.390 1.00 41.23 O ATOM 1972 CB THR A 124 5.297 0.733 2.352 1.00 23.10 C ATOM 1973 OG1 THR A 124 4.810 0.984 3.651 1.00 21.04 O ATOM 1974 CG2 THR A 124 6.179 -0.511 2.368 1.00 11.43 C ATOM 0 H THR A 124 6.842 1.623 -0.159 1.00 3.23 H new ATOM 0 HA THR A 124 5.440 2.877 2.019 1.00 30.44 H new ATOM 0 HB THR A 124 4.455 0.528 1.691 1.00 23.10 H new ATOM 0 HG1 THR A 124 4.386 0.174 4.004 1.00 21.04 H new ATOM 0 HG21 THR A 124 5.632 -1.339 2.820 1.00 11.43 H new ATOM 0 HG22 THR A 124 6.457 -0.773 1.347 1.00 11.43 H new ATOM 0 HG23 THR A 124 7.079 -0.311 2.949 1.00 11.43 H new ATOM 1982 N GLY A 125 8.322 2.705 1.424 1.00 11.44 N ATOM 1983 CA GLY A 125 9.729 2.835 1.801 1.00 73.33 C ATOM 1984 C GLY A 125 10.497 1.507 1.792 1.00 41.34 C ATOM 1985 O GLY A 125 11.654 1.456 1.385 1.00 52.32 O ATOM 0 H GLY A 125 8.114 3.016 0.475 1.00 11.44 H new ATOM 0 HA2 GLY A 125 10.216 3.530 1.117 1.00 73.33 H new ATOM 0 HA3 GLY A 125 9.790 3.272 2.798 1.00 73.33 H new ATOM 1989 N TRP A 126 9.849 0.392 2.147 1.00 55.33 N ATOM 1990 CA TRP A 126 10.455 -0.935 2.129 1.00 60.03 C ATOM 1991 C TRP A 126 11.058 -1.269 0.755 1.00 24.45 C ATOM 1992 O TRP A 126 12.146 -1.832 0.671 1.00 14.13 O ATOM 1993 CB TRP A 126 9.421 -1.997 2.536 1.00 73.00 C ATOM 1994 CG TRP A 126 9.388 -2.356 3.992 1.00 72.03 C ATOM 1995 CD1 TRP A 126 8.296 -2.473 4.782 1.00 4.32 C ATOM 1996 CD2 TRP A 126 10.513 -2.771 4.822 1.00 55.10 C ATOM 1997 NE1 TRP A 126 8.673 -2.964 6.020 1.00 0.52 N ATOM 1998 CE2 TRP A 126 10.019 -3.250 6.067 1.00 53.33 C ATOM 1999 CE3 TRP A 126 11.904 -2.827 4.630 1.00 22.12 C ATOM 2000 CZ2 TRP A 126 10.851 -3.865 7.016 1.00 33.42 C ATOM 2001 CZ3 TRP A 126 12.752 -3.400 5.585 1.00 13.51 C ATOM 2002 CH2 TRP A 126 12.232 -3.945 6.772 1.00 74.12 C ATOM 0 H TRP A 126 8.878 0.391 2.458 1.00 55.33 H new ATOM 0 HA TRP A 126 11.271 -0.937 2.852 1.00 60.03 H new ATOM 0 HB2 TRP A 126 8.432 -1.642 2.247 1.00 73.00 H new ATOM 0 HB3 TRP A 126 9.615 -2.903 1.963 1.00 73.00 H new ATOM 0 HD1 TRP A 126 7.286 -2.222 4.492 1.00 4.32 H new ATOM 0 HE1 TRP A 126 8.032 -3.098 6.802 1.00 0.52 H new ATOM 0 HE3 TRP A 126 12.329 -2.419 3.725 1.00 22.12 H new ATOM 0 HZ2 TRP A 126 10.433 -4.273 7.925 1.00 33.42 H new ATOM 0 HZ3 TRP A 126 13.817 -3.424 5.408 1.00 13.51 H new ATOM 0 HH2 TRP A 126 12.887 -4.420 7.488 1.00 74.12 H new ATOM 2013 N TYR A 127 10.352 -0.937 -0.329 1.00 63.24 N ATOM 2014 CA TYR A 127 10.606 -1.480 -1.666 1.00 73.31 C ATOM 2015 C TYR A 127 10.962 -0.409 -2.702 1.00 11.11 C ATOM 2016 O TYR A 127 10.915 -0.681 -3.906 1.00 64.23 O ATOM 2017 CB TYR A 127 9.408 -2.328 -2.098 1.00 40.42 C ATOM 2018 CG TYR A 127 9.127 -3.487 -1.165 1.00 34.24 C ATOM 2019 CD1 TYR A 127 9.959 -4.625 -1.165 1.00 15.42 C ATOM 2020 CD2 TYR A 127 8.037 -3.420 -0.281 1.00 42.10 C ATOM 2021 CE1 TYR A 127 9.709 -5.689 -0.279 1.00 60.01 C ATOM 2022 CE2 TYR A 127 7.785 -4.473 0.610 1.00 24.34 C ATOM 2023 CZ TYR A 127 8.623 -5.609 0.618 1.00 11.24 C ATOM 2024 OH TYR A 127 8.365 -6.644 1.459 1.00 13.52 O ATOM 0 H TYR A 127 9.577 -0.274 -0.302 1.00 63.24 H new ATOM 0 HA TYR A 127 11.493 -2.111 -1.610 1.00 73.31 H new ATOM 0 HB2 TYR A 127 8.524 -1.693 -2.154 1.00 40.42 H new ATOM 0 HB3 TYR A 127 9.588 -2.714 -3.101 1.00 40.42 H new ATOM 0 HD1 TYR A 127 10.793 -4.680 -1.849 1.00 15.42 H new ATOM 0 HD2 TYR A 127 7.391 -2.555 -0.288 1.00 42.10 H new ATOM 0 HE1 TYR A 127 10.345 -6.562 -0.286 1.00 60.01 H new ATOM 0 HE2 TYR A 127 6.949 -4.415 1.291 1.00 24.34 H new ATOM 0 HH TYR A 127 9.202 -7.106 1.676 1.00 13.52 H new ATOM 2034 N GLY A 128 11.271 0.806 -2.249 1.00 32.42 N ATOM 2035 CA GLY A 128 11.667 1.904 -3.109 1.00 74.43 C ATOM 2036 C GLY A 128 13.181 2.001 -3.203 1.00 64.12 C ATOM 2037 O GLY A 128 13.915 1.074 -2.833 1.00 12.45 O ATOM 0 H GLY A 128 11.251 1.051 -1.259 1.00 32.42 H new ATOM 0 HA2 GLY A 128 11.245 1.762 -4.104 1.00 74.43 H new ATOM 0 HA3 GLY A 128 11.262 2.839 -2.722 1.00 74.43 H new ATOM 2041 N TYR A 129 13.635 3.139 -3.721 1.00 41.00 N ATOM 2042 CA TYR A 129 14.981 3.395 -4.213 1.00 51.01 C ATOM 2043 C TYR A 129 16.079 3.341 -3.144 1.00 44.21 C ATOM 2044 O TYR A 129 17.236 3.573 -3.484 1.00 30.23 O ATOM 2045 CB TYR A 129 15.013 4.808 -4.823 1.00 71.53 C ATOM 2046 CG TYR A 129 13.993 5.176 -5.899 1.00 24.31 C ATOM 2047 CD1 TYR A 129 13.518 4.227 -6.829 1.00 33.32 C ATOM 2048 CD2 TYR A 129 13.479 6.488 -5.931 1.00 52.34 C ATOM 2049 CE1 TYR A 129 12.526 4.586 -7.762 1.00 30.21 C ATOM 2050 CE2 TYR A 129 12.474 6.849 -6.848 1.00 13.44 C ATOM 2051 CZ TYR A 129 11.999 5.898 -7.775 1.00 21.24 C ATOM 2052 OH TYR A 129 11.018 6.231 -8.659 1.00 1.35 O ATOM 0 H TYR A 129 13.033 3.957 -3.813 1.00 41.00 H new ATOM 0 HA TYR A 129 15.192 2.602 -4.930 1.00 51.01 H new ATOM 0 HB2 TYR A 129 14.901 5.521 -4.006 1.00 71.53 H new ATOM 0 HB3 TYR A 129 16.006 4.961 -5.246 1.00 71.53 H new ATOM 0 HD1 TYR A 129 13.916 3.223 -6.825 1.00 33.32 H new ATOM 0 HD2 TYR A 129 13.862 7.227 -5.242 1.00 52.34 H new ATOM 0 HE1 TYR A 129 12.166 3.855 -8.471 1.00 30.21 H new ATOM 0 HE2 TYR A 129 12.068 7.850 -6.842 1.00 13.44 H new ATOM 0 HH TYR A 129 10.769 7.170 -8.533 1.00 1.35 H new ATOM 2062 N ASP A 130 15.737 3.122 -1.877 1.00 13.03 N ATOM 2063 CA ASP A 130 16.577 3.377 -0.701 1.00 1.45 C ATOM 2064 C ASP A 130 17.504 2.189 -0.424 1.00 25.11 C ATOM 2065 O ASP A 130 18.224 2.158 0.574 1.00 53.30 O ATOM 2066 CB ASP A 130 15.666 3.667 0.511 1.00 42.31 C ATOM 2067 CG ASP A 130 16.300 4.538 1.607 1.00 2.35 C ATOM 2068 OD1 ASP A 130 17.537 4.715 1.666 1.00 41.20 O ATOM 2069 OD2 ASP A 130 15.527 5.137 2.392 1.00 42.21 O ATOM 0 H ASP A 130 14.824 2.744 -1.626 1.00 13.03 H new ATOM 0 HA ASP A 130 17.211 4.243 -0.888 1.00 1.45 H new ATOM 0 HB2 ASP A 130 14.760 4.159 0.156 1.00 42.31 H new ATOM 0 HB3 ASP A 130 15.362 2.718 0.953 1.00 42.31 H new ATOM 2074 N LEU A 131 17.472 1.161 -1.278 1.00 54.40 N ATOM 2075 CA LEU A 131 18.210 -0.071 -1.087 1.00 62.41 C ATOM 2076 C LEU A 131 18.726 -0.616 -2.426 1.00 3.22 C ATOM 2077 O LEU A 131 18.027 -0.509 -3.440 1.00 44.11 O ATOM 2078 CB LEU A 131 17.288 -1.089 -0.400 1.00 43.30 C ATOM 2079 CG LEU A 131 17.240 -1.020 1.141 1.00 1.13 C ATOM 2080 CD1 LEU A 131 16.312 -2.129 1.649 1.00 1.15 C ATOM 2081 CD2 LEU A 131 18.605 -1.215 1.819 1.00 60.54 C ATOM 0 H LEU A 131 16.919 1.172 -2.135 1.00 54.40 H new ATOM 0 HA LEU A 131 19.081 0.118 -0.460 1.00 62.41 H new ATOM 0 HB2 LEU A 131 16.277 -0.951 -0.783 1.00 43.30 H new ATOM 0 HB3 LEU A 131 17.604 -2.091 -0.690 1.00 43.30 H new ATOM 0 HG LEU A 131 16.889 -0.019 1.393 1.00 1.13 H new ATOM 0 HD11 LEU A 131 16.266 -2.095 2.738 1.00 1.15 H new ATOM 0 HD12 LEU A 131 15.313 -1.983 1.239 1.00 1.15 H new ATOM 0 HD13 LEU A 131 16.696 -3.099 1.332 1.00 1.15 H new ATOM 0 HD21 LEU A 131 18.486 -1.153 2.901 1.00 60.54 H new ATOM 0 HD22 LEU A 131 19.007 -2.193 1.554 1.00 60.54 H new ATOM 0 HD23 LEU A 131 19.292 -0.438 1.484 1.00 60.54 H new ATOM 2093 N PRO A 132 19.915 -1.251 -2.434 1.00 53.04 N ATOM 2094 CA PRO A 132 20.505 -1.806 -3.641 1.00 32.35 C ATOM 2095 C PRO A 132 19.816 -3.088 -4.112 1.00 2.05 C ATOM 2096 O PRO A 132 19.138 -3.797 -3.363 1.00 35.24 O ATOM 2097 CB PRO A 132 21.969 -2.092 -3.292 1.00 42.04 C ATOM 2098 CG PRO A 132 21.967 -2.280 -1.780 1.00 73.42 C ATOM 2099 CD PRO A 132 20.840 -1.366 -1.314 1.00 71.21 C ATOM 0 HA PRO A 132 20.396 -1.100 -4.465 1.00 32.35 H new ATOM 0 HB2 PRO A 132 22.333 -2.983 -3.803 1.00 42.04 H new ATOM 0 HB3 PRO A 132 22.617 -1.267 -3.589 1.00 42.04 H new ATOM 0 HG2 PRO A 132 21.783 -3.318 -1.504 1.00 73.42 H new ATOM 0 HG3 PRO A 132 22.923 -1.997 -1.338 1.00 73.42 H new ATOM 0 HD2 PRO A 132 20.340 -1.781 -0.438 1.00 71.21 H new ATOM 0 HD3 PRO A 132 21.226 -0.388 -1.027 1.00 71.21 H new ATOM 2107 N ILE A 133 20.134 -3.462 -5.352 1.00 62.21 N ATOM 2108 CA ILE A 133 19.623 -4.619 -6.081 1.00 62.53 C ATOM 2109 C ILE A 133 19.846 -5.951 -5.351 1.00 61.50 C ATOM 2110 O ILE A 133 19.192 -6.953 -5.672 1.00 75.11 O ATOM 2111 CB ILE A 133 20.258 -4.610 -7.489 1.00 52.11 C ATOM 2112 CG1 ILE A 133 19.380 -5.352 -8.494 1.00 11.31 C ATOM 2113 CG2 ILE A 133 21.693 -5.144 -7.500 1.00 65.21 C ATOM 2114 CD1 ILE A 133 19.947 -5.426 -9.912 1.00 2.13 C ATOM 0 H ILE A 133 20.800 -2.927 -5.909 1.00 62.21 H new ATOM 0 HA ILE A 133 18.539 -4.536 -6.157 1.00 62.53 H new ATOM 0 HB ILE A 133 20.319 -3.566 -7.795 1.00 52.11 H new ATOM 0 HG12 ILE A 133 19.215 -6.366 -8.131 1.00 11.31 H new ATOM 0 HG13 ILE A 133 18.406 -4.865 -8.533 1.00 11.31 H new ATOM 0 HG21 ILE A 133 22.085 -5.113 -8.517 1.00 65.21 H new ATOM 0 HG22 ILE A 133 22.316 -4.527 -6.852 1.00 65.21 H new ATOM 0 HG23 ILE A 133 21.701 -6.173 -7.139 1.00 65.21 H new ATOM 0 HD11 ILE A 133 19.254 -5.971 -10.553 1.00 2.13 H new ATOM 0 HD12 ILE A 133 20.085 -4.417 -10.302 1.00 2.13 H new ATOM 0 HD13 ILE A 133 20.907 -5.942 -9.894 1.00 2.13 H new ATOM 2126 N GLY A 134 20.781 -5.991 -4.400 1.00 12.21 N ATOM 2127 CA GLY A 134 21.158 -7.188 -3.670 1.00 0.34 C ATOM 2128 C GLY A 134 20.561 -7.272 -2.268 1.00 11.34 C ATOM 2129 O GLY A 134 20.766 -8.294 -1.614 1.00 35.22 O ATOM 0 H GLY A 134 21.307 -5.166 -4.114 1.00 12.21 H new ATOM 0 HA2 GLY A 134 20.845 -8.063 -4.240 1.00 0.34 H new ATOM 0 HA3 GLY A 134 22.245 -7.228 -3.594 1.00 0.34 H new ATOM 2133 N GLU A 135 19.831 -6.254 -1.797 1.00 0.42 N ATOM 2134 CA GLU A 135 19.299 -6.253 -0.435 1.00 72.13 C ATOM 2135 C GLU A 135 17.834 -6.663 -0.390 1.00 60.54 C ATOM 2136 O GLU A 135 17.358 -7.092 0.662 1.00 13.31 O ATOM 2137 CB GLU A 135 19.547 -4.894 0.213 1.00 40.22 C ATOM 2138 CG GLU A 135 20.944 -4.856 0.830 1.00 60.24 C ATOM 2139 CD GLU A 135 21.001 -5.700 2.108 1.00 55.20 C ATOM 2140 OE1 GLU A 135 21.270 -6.923 2.051 1.00 42.41 O ATOM 2141 OE2 GLU A 135 20.793 -5.137 3.200 1.00 21.21 O ATOM 0 H GLU A 135 19.597 -5.423 -2.340 1.00 0.42 H new ATOM 0 HA GLU A 135 19.830 -7.008 0.145 1.00 72.13 H new ATOM 0 HB2 GLU A 135 19.448 -4.104 -0.531 1.00 40.22 H new ATOM 0 HB3 GLU A 135 18.796 -4.706 0.981 1.00 40.22 H new ATOM 0 HG2 GLU A 135 21.674 -5.228 0.111 1.00 60.24 H new ATOM 0 HG3 GLU A 135 21.218 -3.826 1.057 1.00 60.24 H new ATOM 2148 N LEU A 136 17.175 -6.727 -1.556 1.00 33.51 N ATOM 2149 CA LEU A 136 15.779 -7.129 -1.710 1.00 52.23 C ATOM 2150 C LEU A 136 15.484 -8.388 -0.898 1.00 1.12 C ATOM 2151 O LEU A 136 14.584 -8.393 -0.071 1.00 73.52 O ATOM 2152 CB LEU A 136 15.459 -7.334 -3.196 1.00 2.34 C ATOM 2153 CG LEU A 136 13.981 -7.131 -3.602 1.00 13.24 C ATOM 2154 CD1 LEU A 136 13.729 -7.867 -4.923 1.00 61.51 C ATOM 2155 CD2 LEU A 136 12.930 -7.619 -2.602 1.00 24.33 C ATOM 0 H LEU A 136 17.618 -6.492 -2.444 1.00 33.51 H new ATOM 0 HA LEU A 136 15.137 -6.337 -1.325 1.00 52.23 H new ATOM 0 HB2 LEU A 136 16.073 -6.647 -3.778 1.00 2.34 H new ATOM 0 HB3 LEU A 136 15.757 -8.344 -3.476 1.00 2.34 H new ATOM 0 HG LEU A 136 13.859 -6.050 -3.665 1.00 13.24 H new ATOM 0 HD11 LEU A 136 12.689 -7.732 -5.222 1.00 61.51 H new ATOM 0 HD12 LEU A 136 14.384 -7.463 -5.695 1.00 61.51 H new ATOM 0 HD13 LEU A 136 13.934 -8.929 -4.792 1.00 61.51 H new ATOM 0 HD21 LEU A 136 11.933 -7.423 -2.997 1.00 24.33 H new ATOM 0 HD22 LEU A 136 13.052 -8.690 -2.440 1.00 24.33 H new ATOM 0 HD23 LEU A 136 13.056 -7.092 -1.656 1.00 24.33 H new ATOM 2167 N LYS A 137 16.297 -9.434 -1.088 1.00 15.41 N ATOM 2168 CA LYS A 137 16.237 -10.684 -0.333 1.00 34.34 C ATOM 2169 C LYS A 137 16.078 -10.453 1.165 1.00 53.13 C ATOM 2170 O LYS A 137 15.145 -11.013 1.743 1.00 63.53 O ATOM 2171 CB LYS A 137 17.433 -11.568 -0.643 1.00 54.11 C ATOM 2172 CG LYS A 137 18.773 -10.849 -0.458 1.00 12.25 C ATOM 2173 CD LYS A 137 19.804 -11.488 -1.361 1.00 55.11 C ATOM 2174 CE LYS A 137 20.447 -12.686 -0.680 1.00 41.01 C ATOM 2175 NZ LYS A 137 21.504 -13.298 -1.499 1.00 12.14 N ATOM 0 H LYS A 137 17.035 -9.431 -1.792 1.00 15.41 H new ATOM 0 HA LYS A 137 15.340 -11.211 -0.658 1.00 34.34 H new ATOM 0 HB2 LYS A 137 17.406 -12.446 0.003 1.00 54.11 H new ATOM 0 HB3 LYS A 137 17.357 -11.925 -1.670 1.00 54.11 H new ATOM 0 HG2 LYS A 137 18.668 -9.791 -0.696 1.00 12.25 H new ATOM 0 HG3 LYS A 137 19.093 -10.911 0.582 1.00 12.25 H new ATOM 0 HD2 LYS A 137 19.334 -11.802 -2.293 1.00 55.11 H new ATOM 0 HD3 LYS A 137 20.570 -10.757 -1.621 1.00 55.11 H new ATOM 0 HE2 LYS A 137 20.867 -12.374 0.276 1.00 41.01 H new ATOM 0 HE3 LYS A 137 19.682 -13.431 -0.464 1.00 41.01 H new ATOM 0 HZ1 LYS A 137 21.911 -14.109 -0.991 1.00 12.14 H new ATOM 0 HZ2 LYS A 137 21.101 -13.621 -2.402 1.00 12.14 H new ATOM 0 HZ3 LYS A 137 22.249 -12.597 -1.684 1.00 12.14 H new ATOM 2189 N GLN A 138 16.970 -9.654 1.757 1.00 74.43 N ATOM 2190 CA GLN A 138 17.021 -9.328 3.171 1.00 74.33 C ATOM 2191 C GLN A 138 15.717 -8.640 3.551 1.00 63.42 C ATOM 2192 O GLN A 138 15.080 -9.058 4.511 1.00 40.22 O ATOM 2193 CB GLN A 138 18.261 -8.452 3.456 1.00 23.14 C ATOM 2194 CG GLN A 138 19.027 -8.847 4.728 1.00 14.35 C ATOM 2195 CD GLN A 138 18.370 -8.419 6.031 1.00 0.11 C ATOM 2196 OE1 GLN A 138 18.520 -7.281 6.467 1.00 13.21 O ATOM 2197 NE2 GLN A 138 17.645 -9.302 6.699 1.00 12.35 N ATOM 0 H GLN A 138 17.712 -9.197 1.228 1.00 74.43 H new ATOM 0 HA GLN A 138 17.121 -10.226 3.781 1.00 74.33 H new ATOM 0 HB2 GLN A 138 18.938 -8.511 2.604 1.00 23.14 H new ATOM 0 HB3 GLN A 138 17.946 -7.412 3.542 1.00 23.14 H new ATOM 0 HG2 GLN A 138 19.150 -9.930 4.739 1.00 14.35 H new ATOM 0 HG3 GLN A 138 20.026 -8.413 4.682 1.00 14.35 H new ATOM 0 HE21 GLN A 138 17.524 -10.246 6.331 1.00 12.35 H new ATOM 0 HE22 GLN A 138 17.207 -9.039 7.582 1.00 12.35 H new ATOM 2206 N THR A 139 15.273 -7.659 2.765 1.00 23.32 N ATOM 2207 CA THR A 139 14.024 -6.937 2.960 1.00 31.53 C ATOM 2208 C THR A 139 12.840 -7.905 3.056 1.00 34.41 C ATOM 2209 O THR A 139 12.002 -7.760 3.941 1.00 32.33 O ATOM 2210 CB THR A 139 13.882 -5.923 1.812 1.00 20.55 C ATOM 2211 OG1 THR A 139 15.100 -5.215 1.648 1.00 32.15 O ATOM 2212 CG2 THR A 139 12.772 -4.913 2.038 1.00 2.11 C ATOM 0 H THR A 139 15.793 -7.337 1.949 1.00 23.32 H new ATOM 0 HA THR A 139 14.032 -6.395 3.906 1.00 31.53 H new ATOM 0 HB THR A 139 13.631 -6.500 0.922 1.00 20.55 H new ATOM 0 HG1 THR A 139 15.008 -4.571 0.915 1.00 32.15 H new ATOM 0 HG21 THR A 139 12.726 -4.228 1.192 1.00 2.11 H new ATOM 0 HG22 THR A 139 11.820 -5.434 2.135 1.00 2.11 H new ATOM 0 HG23 THR A 139 12.972 -4.350 2.950 1.00 2.11 H new ATOM 2220 N ILE A 140 12.795 -8.949 2.220 1.00 60.11 N ATOM 2221 CA ILE A 140 11.717 -9.935 2.264 1.00 54.11 C ATOM 2222 C ILE A 140 11.750 -10.650 3.616 1.00 52.41 C ATOM 2223 O ILE A 140 10.702 -10.910 4.205 1.00 20.05 O ATOM 2224 CB ILE A 140 11.793 -10.985 1.123 1.00 3.53 C ATOM 2225 CG1 ILE A 140 12.314 -10.441 -0.223 1.00 53.42 C ATOM 2226 CG2 ILE A 140 10.410 -11.616 0.956 1.00 20.22 C ATOM 2227 CD1 ILE A 140 12.131 -11.320 -1.470 1.00 64.42 C ATOM 0 H ILE A 140 13.498 -9.130 1.503 1.00 60.11 H new ATOM 0 HA ILE A 140 10.782 -9.392 2.127 1.00 54.11 H new ATOM 0 HB ILE A 140 12.534 -11.727 1.420 1.00 3.53 H new ATOM 0 HG12 ILE A 140 11.823 -9.486 -0.411 1.00 53.42 H new ATOM 0 HG13 ILE A 140 13.379 -10.235 -0.112 1.00 53.42 H new ATOM 0 HG21 ILE A 140 10.442 -12.358 0.158 1.00 20.22 H new ATOM 0 HG22 ILE A 140 10.115 -12.099 1.888 1.00 20.22 H new ATOM 0 HG23 ILE A 140 9.685 -10.842 0.703 1.00 20.22 H new ATOM 0 HD11 ILE A 140 12.544 -10.809 -2.339 1.00 64.42 H new ATOM 0 HD12 ILE A 140 12.649 -12.268 -1.326 1.00 64.42 H new ATOM 0 HD13 ILE A 140 11.069 -11.508 -1.630 1.00 64.42 H new ATOM 2239 N GLN A 141 12.949 -11.023 4.070 1.00 40.20 N ATOM 2240 CA GLN A 141 13.136 -11.788 5.292 1.00 73.41 C ATOM 2241 C GLN A 141 12.697 -10.935 6.475 1.00 11.25 C ATOM 2242 O GLN A 141 11.861 -11.378 7.258 1.00 3.32 O ATOM 2243 CB GLN A 141 14.570 -12.350 5.406 1.00 44.41 C ATOM 2244 CG GLN A 141 15.128 -12.916 4.082 1.00 53.40 C ATOM 2245 CD GLN A 141 15.781 -14.290 4.159 1.00 60.44 C ATOM 2246 OE1 GLN A 141 16.861 -14.466 4.708 1.00 3.12 O ATOM 2247 NE2 GLN A 141 15.215 -15.291 3.499 1.00 60.33 N ATOM 0 H GLN A 141 13.821 -10.798 3.591 1.00 40.20 H new ATOM 0 HA GLN A 141 12.506 -12.677 5.280 1.00 73.41 H new ATOM 0 HB2 GLN A 141 15.232 -11.560 5.759 1.00 44.41 H new ATOM 0 HB3 GLN A 141 14.582 -13.137 6.160 1.00 44.41 H new ATOM 0 HG2 GLN A 141 14.313 -12.964 3.360 1.00 53.40 H new ATOM 0 HG3 GLN A 141 15.860 -12.210 3.690 1.00 53.40 H new ATOM 0 HE21 GLN A 141 14.315 -15.154 3.038 1.00 60.33 H new ATOM 0 HE22 GLN A 141 15.679 -16.198 3.452 1.00 60.33 H new ATOM 2256 N ASN A 142 13.158 -9.684 6.499 1.00 31.25 N ATOM 2257 CA ASN A 142 12.867 -8.701 7.544 1.00 71.21 C ATOM 2258 C ASN A 142 11.358 -8.488 7.661 1.00 35.05 C ATOM 2259 O ASN A 142 10.809 -8.458 8.759 1.00 55.34 O ATOM 2260 CB ASN A 142 13.516 -7.336 7.240 1.00 14.14 C ATOM 2261 CG ASN A 142 15.023 -7.257 7.442 1.00 21.22 C ATOM 2262 OD1 ASN A 142 15.558 -7.613 8.491 1.00 75.44 O ATOM 2263 ND2 ASN A 142 15.768 -6.784 6.458 1.00 1.21 N ATOM 0 H ASN A 142 13.765 -9.314 5.767 1.00 31.25 H new ATOM 0 HA ASN A 142 13.277 -9.095 8.474 1.00 71.21 H new ATOM 0 HB2 ASN A 142 13.293 -7.071 6.206 1.00 14.14 H new ATOM 0 HB3 ASN A 142 13.044 -6.583 7.871 1.00 14.14 H new ATOM 0 HD21 ASN A 142 16.779 -6.716 6.571 1.00 1.21 H new ATOM 0 HD22 ASN A 142 15.332 -6.487 5.585 1.00 1.21 H new ATOM 2270 N VAL A 143 10.667 -8.342 6.529 1.00 41.53 N ATOM 2271 CA VAL A 143 9.241 -8.037 6.498 1.00 15.52 C ATOM 2272 C VAL A 143 8.417 -9.144 7.154 1.00 1.11 C ATOM 2273 O VAL A 143 7.388 -8.860 7.765 1.00 4.33 O ATOM 2274 CB VAL A 143 8.839 -7.730 5.041 1.00 0.13 C ATOM 2275 CG1 VAL A 143 7.325 -7.767 4.789 1.00 23.21 C ATOM 2276 CG2 VAL A 143 9.352 -6.320 4.692 1.00 41.10 C ATOM 0 H VAL A 143 11.087 -8.433 5.604 1.00 41.53 H new ATOM 0 HA VAL A 143 9.026 -7.150 7.094 1.00 15.52 H new ATOM 0 HB VAL A 143 9.280 -8.508 4.418 1.00 0.13 H new ATOM 0 HG11 VAL A 143 7.125 -7.541 3.742 1.00 23.21 H new ATOM 0 HG12 VAL A 143 6.941 -8.759 5.026 1.00 23.21 H new ATOM 0 HG13 VAL A 143 6.833 -7.027 5.420 1.00 23.21 H new ATOM 0 HG21 VAL A 143 9.080 -6.078 3.665 1.00 41.10 H new ATOM 0 HG22 VAL A 143 8.903 -5.592 5.367 1.00 41.10 H new ATOM 0 HG23 VAL A 143 10.437 -6.291 4.797 1.00 41.10 H new ATOM 2286 N LYS A 144 8.842 -10.406 7.063 1.00 54.52 N ATOM 2287 CA LYS A 144 8.107 -11.478 7.727 1.00 21.23 C ATOM 2288 C LYS A 144 8.268 -11.386 9.249 1.00 23.05 C ATOM 2289 O LYS A 144 7.323 -11.714 9.962 1.00 22.13 O ATOM 2290 CB LYS A 144 8.546 -12.833 7.168 1.00 41.22 C ATOM 2291 CG LYS A 144 8.098 -12.955 5.693 1.00 44.10 C ATOM 2292 CD LYS A 144 8.716 -14.154 4.972 1.00 43.23 C ATOM 2293 CE LYS A 144 10.239 -14.003 4.952 1.00 75.43 C ATOM 2294 NZ LYS A 144 10.910 -15.030 4.135 1.00 60.31 N ATOM 0 H LYS A 144 9.671 -10.704 6.549 1.00 54.52 H new ATOM 0 HA LYS A 144 7.042 -11.370 7.522 1.00 21.23 H new ATOM 0 HB2 LYS A 144 9.629 -12.934 7.239 1.00 41.22 H new ATOM 0 HB3 LYS A 144 8.111 -13.640 7.759 1.00 41.22 H new ATOM 0 HG2 LYS A 144 7.012 -13.037 5.656 1.00 44.10 H new ATOM 0 HG3 LYS A 144 8.367 -12.042 5.162 1.00 44.10 H new ATOM 0 HD2 LYS A 144 8.438 -15.079 5.476 1.00 43.23 H new ATOM 0 HD3 LYS A 144 8.332 -14.218 3.954 1.00 43.23 H new ATOM 0 HE2 LYS A 144 10.495 -13.016 4.567 1.00 75.43 H new ATOM 0 HE3 LYS A 144 10.617 -14.055 5.973 1.00 75.43 H new ATOM 0 HZ1 LYS A 144 11.938 -14.876 4.160 1.00 60.31 H new ATOM 0 HZ2 LYS A 144 10.692 -15.973 4.515 1.00 60.31 H new ATOM 0 HZ3 LYS A 144 10.574 -14.966 3.153 1.00 60.31 H new ATOM 2308 N GLU A 145 9.419 -10.928 9.745 1.00 24.35 N ATOM 2309 CA GLU A 145 9.683 -10.720 11.167 1.00 1.41 C ATOM 2310 C GLU A 145 8.780 -9.602 11.696 1.00 15.42 C ATOM 2311 O GLU A 145 8.138 -9.773 12.734 1.00 1.23 O ATOM 2312 CB GLU A 145 11.184 -10.433 11.401 1.00 63.02 C ATOM 2313 CG GLU A 145 12.066 -11.521 10.760 1.00 62.30 C ATOM 2314 CD GLU A 145 13.574 -11.284 10.865 1.00 40.20 C ATOM 2315 OE1 GLU A 145 14.093 -11.173 11.998 1.00 14.14 O ATOM 2316 OE2 GLU A 145 14.258 -11.369 9.813 1.00 22.44 O ATOM 0 H GLU A 145 10.213 -10.686 9.152 1.00 24.35 H new ATOM 0 HA GLU A 145 9.448 -11.626 11.725 1.00 1.41 H new ATOM 0 HB2 GLU A 145 11.440 -9.460 10.982 1.00 63.02 H new ATOM 0 HB3 GLU A 145 11.385 -10.382 12.471 1.00 63.02 H new ATOM 0 HG2 GLU A 145 11.832 -12.478 11.227 1.00 62.30 H new ATOM 0 HG3 GLU A 145 11.801 -11.607 9.706 1.00 62.30 H new ATOM 2323 N GLU A 146 8.662 -8.498 10.950 1.00 33.03 N ATOM 2324 CA GLU A 146 7.707 -7.429 11.240 1.00 15.11 C ATOM 2325 C GLU A 146 6.274 -7.969 11.255 1.00 20.31 C ATOM 2326 O GLU A 146 5.529 -7.770 12.214 1.00 11.11 O ATOM 2327 CB GLU A 146 7.814 -6.312 10.197 1.00 62.01 C ATOM 2328 CG GLU A 146 9.050 -5.433 10.293 1.00 4.32 C ATOM 2329 CD GLU A 146 8.777 -4.029 9.739 1.00 11.14 C ATOM 2330 OE1 GLU A 146 8.008 -3.890 8.757 1.00 0.15 O ATOM 2331 OE2 GLU A 146 9.384 -3.063 10.262 1.00 60.12 O ATOM 0 H GLU A 146 9.232 -8.322 10.123 1.00 33.03 H new ATOM 0 HA GLU A 146 7.948 -7.028 12.224 1.00 15.11 H new ATOM 0 HB2 GLU A 146 7.789 -6.763 9.205 1.00 62.01 H new ATOM 0 HB3 GLU A 146 6.932 -5.677 10.281 1.00 62.01 H new ATOM 0 HG2 GLU A 146 9.368 -5.361 11.333 1.00 4.32 H new ATOM 0 HG3 GLU A 146 9.870 -5.892 9.740 1.00 4.32 H new ATOM 2338 N ASN A 147 5.889 -8.685 10.194 1.00 60.44 N ATOM 2339 CA ASN A 147 4.549 -9.244 10.040 1.00 11.34 C ATOM 2340 C ASN A 147 4.189 -10.126 11.228 1.00 41.35 C ATOM 2341 O ASN A 147 3.021 -10.167 11.622 1.00 1.40 O ATOM 2342 CB ASN A 147 4.448 -10.090 8.761 1.00 40.21 C ATOM 2343 CG ASN A 147 4.316 -9.274 7.486 1.00 72.44 C ATOM 2344 OD1 ASN A 147 4.350 -8.052 7.493 1.00 51.31 O ATOM 2345 ND2 ASN A 147 4.121 -9.942 6.360 1.00 41.23 N ATOM 0 H ASN A 147 6.509 -8.893 9.411 1.00 60.44 H new ATOM 0 HA ASN A 147 3.857 -8.404 9.980 1.00 11.34 H new ATOM 0 HB2 ASN A 147 5.333 -10.722 8.685 1.00 40.21 H new ATOM 0 HB3 ASN A 147 3.588 -10.755 8.845 1.00 40.21 H new ATOM 0 HD21 ASN A 147 3.997 -9.437 5.482 1.00 41.23 H new ATOM 0 HD22 ASN A 147 4.095 -10.962 6.370 1.00 41.23 H new ATOM 2352 N ALA A 148 5.171 -10.862 11.759 1.00 31.22 N ATOM 2353 CA ALA A 148 4.990 -11.761 12.881 1.00 33.11 C ATOM 2354 C ALA A 148 4.602 -11.016 14.162 1.00 3.43 C ATOM 2355 O ALA A 148 3.971 -11.630 15.020 1.00 32.22 O ATOM 2356 CB ALA A 148 6.247 -12.611 13.095 1.00 44.11 C ATOM 0 H ALA A 148 6.128 -10.842 11.407 1.00 31.22 H new ATOM 0 HA ALA A 148 4.159 -12.424 12.639 1.00 33.11 H new ATOM 0 HB1 ALA A 148 6.094 -13.280 13.941 1.00 44.11 H new ATOM 0 HB2 ALA A 148 6.446 -13.199 12.199 1.00 44.11 H new ATOM 0 HB3 ALA A 148 7.097 -11.959 13.297 1.00 44.11 H new ATOM 2362 N ALA A 149 4.948 -9.730 14.313 1.00 55.23 N ATOM 2363 CA ALA A 149 4.570 -8.936 15.480 1.00 2.44 C ATOM 2364 C ALA A 149 3.091 -8.564 15.426 1.00 63.24 C ATOM 2365 O ALA A 149 2.384 -8.754 16.415 1.00 60.45 O ATOM 2366 CB ALA A 149 5.426 -7.666 15.559 1.00 54.22 C ATOM 0 H ALA A 149 5.498 -9.215 13.626 1.00 55.23 H new ATOM 0 HA ALA A 149 4.744 -9.538 16.372 1.00 2.44 H new ATOM 0 HB1 ALA A 149 5.134 -7.084 16.433 1.00 54.22 H new ATOM 0 HB2 ALA A 149 6.478 -7.941 15.641 1.00 54.22 H new ATOM 0 HB3 ALA A 149 5.276 -7.069 14.659 1.00 54.22 H new ATOM 2372 N PHE A 150 2.629 -8.040 14.286 1.00 13.53 N ATOM 2373 CA PHE A 150 1.241 -7.613 14.121 1.00 64.33 C ATOM 2374 C PHE A 150 0.298 -8.815 14.261 1.00 41.33 C ATOM 2375 O PHE A 150 -0.668 -8.796 15.026 1.00 1.10 O ATOM 2376 CB PHE A 150 1.083 -6.922 12.757 1.00 73.41 C ATOM 2377 CG PHE A 150 -0.329 -6.443 12.481 1.00 13.10 C ATOM 2378 CD1 PHE A 150 -0.732 -5.152 12.871 1.00 14.32 C ATOM 2379 CD2 PHE A 150 -1.258 -7.305 11.869 1.00 0.20 C ATOM 2380 CE1 PHE A 150 -2.067 -4.746 12.683 1.00 44.45 C ATOM 2381 CE2 PHE A 150 -2.574 -6.881 11.640 1.00 32.03 C ATOM 2382 CZ PHE A 150 -2.986 -5.606 12.059 1.00 54.21 C ATOM 0 H PHE A 150 3.206 -7.901 13.456 1.00 13.53 H new ATOM 0 HA PHE A 150 0.976 -6.899 14.900 1.00 64.33 H new ATOM 0 HB2 PHE A 150 1.763 -6.071 12.709 1.00 73.41 H new ATOM 0 HB3 PHE A 150 1.383 -7.615 11.971 1.00 73.41 H new ATOM 0 HD1 PHE A 150 -0.018 -4.474 13.314 1.00 14.32 H new ATOM 0 HD2 PHE A 150 -0.955 -8.299 11.574 1.00 0.20 H new ATOM 0 HE1 PHE A 150 -2.385 -3.770 13.020 1.00 44.45 H new ATOM 0 HE2 PHE A 150 -3.272 -7.536 11.140 1.00 32.03 H new ATOM 0 HZ PHE A 150 -4.006 -5.287 11.902 1.00 54.21 H new ATOM 2392 N LYS A 151 0.586 -9.897 13.528 1.00 15.20 N ATOM 2393 CA LYS A 151 -0.274 -11.082 13.489 1.00 71.42 C ATOM 2394 C LYS A 151 -0.381 -11.815 14.833 1.00 21.21 C ATOM 2395 O LYS A 151 -1.221 -12.709 14.953 1.00 43.41 O ATOM 2396 CB LYS A 151 0.197 -12.006 12.368 1.00 15.40 C ATOM 2397 CG LYS A 151 1.439 -12.782 12.789 1.00 71.03 C ATOM 2398 CD LYS A 151 1.958 -13.739 11.713 1.00 0.33 C ATOM 2399 CE LYS A 151 2.325 -12.998 10.421 1.00 44.32 C ATOM 2400 NZ LYS A 151 2.328 -13.895 9.254 1.00 4.44 N ATOM 0 H LYS A 151 1.421 -9.974 12.947 1.00 15.20 H new ATOM 0 HA LYS A 151 -1.290 -10.745 13.282 1.00 71.42 H new ATOM 0 HB2 LYS A 151 -0.600 -12.702 12.106 1.00 15.40 H new ATOM 0 HB3 LYS A 151 0.415 -11.420 11.475 1.00 15.40 H new ATOM 0 HG2 LYS A 151 2.228 -12.076 13.047 1.00 71.03 H new ATOM 0 HG3 LYS A 151 1.213 -13.351 13.691 1.00 71.03 H new ATOM 0 HD2 LYS A 151 2.833 -14.269 12.089 1.00 0.33 H new ATOM 0 HD3 LYS A 151 1.198 -14.491 11.498 1.00 0.33 H new ATOM 0 HE2 LYS A 151 1.616 -12.187 10.254 1.00 44.32 H new ATOM 0 HE3 LYS A 151 3.309 -12.543 10.531 1.00 44.32 H new ATOM 0 HZ1 LYS A 151 2.581 -13.355 8.402 1.00 4.44 H new ATOM 0 HZ2 LYS A 151 3.023 -14.654 9.402 1.00 4.44 H new ATOM 0 HZ3 LYS A 151 1.382 -14.310 9.133 1.00 4.44 H new ATOM 2414 N GLU A 152 0.488 -11.509 15.796 1.00 11.31 N ATOM 2415 CA GLU A 152 0.487 -12.092 17.134 1.00 74.12 C ATOM 2416 C GLU A 152 -0.642 -11.491 17.981 1.00 2.32 C ATOM 2417 O GLU A 152 -1.065 -12.087 18.971 1.00 15.42 O ATOM 2418 CB GLU A 152 1.866 -11.801 17.738 1.00 4.21 C ATOM 2419 CG GLU A 152 2.198 -12.446 19.084 1.00 22.42 C ATOM 2420 CD GLU A 152 1.950 -13.955 19.148 1.00 41.55 C ATOM 2421 OE1 GLU A 152 2.325 -14.681 18.201 1.00 43.54 O ATOM 2422 OE2 GLU A 152 1.390 -14.424 20.168 1.00 34.40 O ATOM 0 H GLU A 152 1.234 -10.827 15.661 1.00 11.31 H new ATOM 0 HA GLU A 152 0.307 -13.167 17.102 1.00 74.12 H new ATOM 0 HB2 GLU A 152 2.622 -12.116 17.018 1.00 4.21 H new ATOM 0 HB3 GLU A 152 1.963 -10.721 17.850 1.00 4.21 H new ATOM 0 HG2 GLU A 152 3.246 -12.253 19.315 1.00 22.42 H new ATOM 0 HG3 GLU A 152 1.606 -11.961 19.860 1.00 22.42 H new ATOM 2429 N ILE A 153 -1.141 -10.319 17.580 1.00 32.33 N ATOM 2430 CA ILE A 153 -2.148 -9.541 18.288 1.00 41.21 C ATOM 2431 C ILE A 153 -3.430 -9.524 17.459 1.00 62.21 C ATOM 2432 O ILE A 153 -4.487 -9.930 17.957 1.00 75.44 O ATOM 2433 CB ILE A 153 -1.628 -8.118 18.581 1.00 34.43 C ATOM 2434 CG1 ILE A 153 -0.203 -8.116 19.188 1.00 4.42 C ATOM 2435 CG2 ILE A 153 -2.610 -7.400 19.530 1.00 64.21 C ATOM 2436 CD1 ILE A 153 0.369 -6.713 19.422 1.00 23.13 C ATOM 0 H ILE A 153 -0.838 -9.871 16.715 1.00 32.33 H new ATOM 0 HA ILE A 153 -2.365 -10.000 19.253 1.00 41.21 H new ATOM 0 HB ILE A 153 -1.566 -7.588 17.630 1.00 34.43 H new ATOM 0 HG12 ILE A 153 -0.222 -8.653 20.136 1.00 4.42 H new ATOM 0 HG13 ILE A 153 0.465 -8.664 18.524 1.00 4.42 H new ATOM 0 HG21 ILE A 153 -2.245 -6.394 19.739 1.00 64.21 H new ATOM 0 HG22 ILE A 153 -3.592 -7.339 19.060 1.00 64.21 H new ATOM 0 HG23 ILE A 153 -2.688 -7.958 20.463 1.00 64.21 H new ATOM 0 HD11 ILE A 153 1.369 -6.794 19.848 1.00 23.13 H new ATOM 0 HD12 ILE A 153 0.421 -6.179 18.473 1.00 23.13 H new ATOM 0 HD13 ILE A 153 -0.276 -6.167 20.111 1.00 23.13 H new ATOM 2448 N HIS A 154 -3.349 -9.090 16.202 1.00 55.24 N ATOM 2449 CA HIS A 154 -4.487 -8.946 15.307 1.00 51.54 C ATOM 2450 C HIS A 154 -4.237 -9.780 14.046 1.00 20.11 C ATOM 2451 O HIS A 154 -3.928 -9.241 12.985 1.00 41.24 O ATOM 2452 CB HIS A 154 -4.748 -7.455 15.067 1.00 33.40 C ATOM 2453 CG HIS A 154 -5.218 -6.752 16.321 1.00 62.05 C ATOM 2454 ND1 HIS A 154 -6.334 -7.064 17.071 1.00 53.15 N ATOM 2455 CD2 HIS A 154 -4.549 -5.756 16.977 1.00 15.44 C ATOM 2456 CE1 HIS A 154 -6.315 -6.300 18.173 1.00 55.34 C ATOM 2457 NE2 HIS A 154 -5.265 -5.461 18.146 1.00 75.24 N ATOM 0 H HIS A 154 -2.464 -8.823 15.770 1.00 55.24 H new ATOM 0 HA HIS A 154 -5.408 -9.338 15.740 1.00 51.54 H new ATOM 0 HB2 HIS A 154 -3.835 -6.981 14.706 1.00 33.40 H new ATOM 0 HB3 HIS A 154 -5.498 -7.340 14.284 1.00 33.40 H new ATOM 0 HD2 HIS A 154 -3.634 -5.282 16.653 1.00 15.44 H new ATOM 0 HE1 HIS A 154 -7.041 -6.352 18.970 1.00 55.34 H new ATOM 0 HE2 HIS A 154 -5.034 -4.750 18.840 1.00 75.24 H new ATOM 2465 N PRO A 155 -4.338 -11.117 14.149 1.00 15.21 N ATOM 2466 CA PRO A 155 -4.121 -12.009 13.027 1.00 62.02 C ATOM 2467 C PRO A 155 -5.103 -11.753 11.897 1.00 41.23 C ATOM 2468 O PRO A 155 -6.277 -11.409 12.135 1.00 41.34 O ATOM 2469 CB PRO A 155 -4.233 -13.434 13.571 1.00 31.41 C ATOM 2470 CG PRO A 155 -4.956 -13.290 14.905 1.00 60.14 C ATOM 2471 CD PRO A 155 -4.597 -11.879 15.359 1.00 52.51 C ATOM 0 HA PRO A 155 -3.136 -11.842 12.590 1.00 62.02 H new ATOM 0 HB2 PRO A 155 -4.790 -14.075 12.887 1.00 31.41 H new ATOM 0 HB3 PRO A 155 -3.249 -13.885 13.702 1.00 31.41 H new ATOM 0 HG2 PRO A 155 -6.033 -13.413 14.792 1.00 60.14 H new ATOM 0 HG3 PRO A 155 -4.623 -14.039 15.624 1.00 60.14 H new ATOM 0 HD2 PRO A 155 -5.412 -11.435 15.931 1.00 52.51 H new ATOM 0 HD3 PRO A 155 -3.721 -11.890 16.007 1.00 52.51 H new TER 2479 PRO A 155