USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1093 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 81 ASN : amide:sc= -1.09 X(o=-1.6,f=-1.6) USER MOD Set 1.2: A 99 HIS : no HE2:sc= -0.51 K(o=-1.6,f=-2.7) USER MOD Set 1.3: A 115 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 64 TYR OH : rot 39:sc= 1.09 USER MOD Set 2.2: A 84 HIS : no HD1:sc= -1.47 K(o=-0.38,f=-6.2!) USER MOD Set 3.1: A 50 SER OG : rot -87:sc= 1.11 USER MOD Set 3.2: A 128 ASN : amide:sc= 0 K(o=1.1,f=0.44) USER MOD Set 4.1: A 1 MET N :NH3+ 164:sc= 0.696 (180deg=0.297!) USER MOD Set 4.2: A 138 HIS : no HD1:sc= -0.98 K(o=-0.28,f=-1.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 22 TYR OH : rot 53:sc= 0.0087 USER MOD Single : A 24 GLN : amide:sc= 0.0386 K(o=0.039,f=-1.1) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.726 F(o=-1.2,f=-0.73) USER MOD Single : A 30 TYR OH : rot 30:sc= -0.265 USER MOD Single : A 32 MET CE :methyl -155:sc= 0 (180deg=-1.24) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00521 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 89:sc= 1.12 USER MOD Single : A 61 SER OG : rot -88:sc= 1.17 USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0487) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.198 F(o=-1.1,f=-0.2) USER MOD Single : A 71 ASN : amide:sc=-0.000314 X(o=-0.00031,f=0.42) USER MOD Single : A 72 ASN : amide:sc= 0.033 K(o=0.033,f=-6.1!) USER MOD Single : A 74 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.0078) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 76:sc= 0.629 USER MOD Single : A 103 TYR OH : rot 126:sc= 2.29 USER MOD Single : A 104 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0.0063) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.23 K(o=0.23,f=-4.3!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 52:sc= 1.26 USER MOD Single : A 121 TYR OH : rot 180:sc= -0.037 USER MOD Single : A 122 THR OG1 : rot 85:sc= 0.0142 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HE2:sc= -0.245 K(o=-0.25,f=-1) USER MOD Single : A 140 HIS : no HD1:sc= -0.0357 X(o=-0.036,f=-0.47) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 142 HIS : no HE2:sc= 0.288 K(o=0.29,f=-1.1) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.706 -8.109 -7.186 1.00 23.14 N ATOM 2 CA MET A 1 13.032 -8.514 -8.437 1.00 20.41 C ATOM 3 C MET A 1 11.499 -8.604 -8.211 1.00 31.00 C ATOM 4 O MET A 1 11.073 -9.066 -7.144 1.00 45.14 O ATOM 5 CB MET A 1 13.600 -9.868 -8.954 1.00 60.13 C ATOM 6 CG MET A 1 15.092 -9.840 -9.321 1.00 23.13 C ATOM 7 SD MET A 1 16.151 -9.463 -7.906 1.00 23.01 S ATOM 8 CE MET A 1 17.772 -9.401 -8.663 1.00 64.10 C ATOM 0 H1 MET A 1 14.724 -8.310 -7.259 1.00 23.14 H new ATOM 0 H2 MET A 1 13.564 -7.091 -7.029 1.00 23.14 H new ATOM 0 H3 MET A 1 13.305 -8.641 -6.388 1.00 23.14 H new ATOM 0 HA MET A 1 13.224 -7.759 -9.199 1.00 20.41 H new ATOM 0 HB2 MET A 1 13.442 -10.628 -8.189 1.00 60.13 H new ATOM 0 HB3 MET A 1 13.030 -10.175 -9.831 1.00 60.13 H new ATOM 0 HG2 MET A 1 15.378 -10.806 -9.736 1.00 23.13 H new ATOM 0 HG3 MET A 1 15.256 -9.096 -10.101 1.00 23.13 H new ATOM 0 HE1 MET A 1 18.520 -9.177 -7.903 1.00 64.10 H new ATOM 0 HE2 MET A 1 17.997 -10.364 -9.121 1.00 64.10 H new ATOM 0 HE3 MET A 1 17.787 -8.624 -9.427 1.00 64.10 H new ATOM 20 N PRO A 2 10.652 -8.159 -9.202 1.00 23.22 N ATOM 21 CA PRO A 2 9.161 -8.185 -9.080 1.00 5.54 C ATOM 22 C PRO A 2 8.586 -9.608 -8.803 1.00 34.30 C ATOM 23 O PRO A 2 8.598 -10.473 -9.683 1.00 73.30 O ATOM 24 CB PRO A 2 8.679 -7.623 -10.452 1.00 70.03 C ATOM 25 CG PRO A 2 9.847 -6.832 -10.966 1.00 71.23 C ATOM 26 CD PRO A 2 11.074 -7.581 -10.509 1.00 25.31 C ATOM 0 HA PRO A 2 8.814 -7.603 -8.226 1.00 5.54 H new ATOM 0 HB2 PRO A 2 8.411 -8.427 -11.138 1.00 70.03 H new ATOM 0 HB3 PRO A 2 7.795 -6.996 -10.336 1.00 70.03 H new ATOM 0 HG2 PRO A 2 9.819 -6.751 -12.053 1.00 71.23 H new ATOM 0 HG3 PRO A 2 9.837 -5.816 -10.571 1.00 71.23 H new ATOM 0 HD2 PRO A 2 11.360 -8.357 -11.219 1.00 25.31 H new ATOM 0 HD3 PRO A 2 11.932 -6.918 -10.398 1.00 25.31 H new ATOM 34 N LEU A 3 8.111 -9.835 -7.561 1.00 32.22 N ATOM 35 CA LEU A 3 7.563 -11.138 -7.120 1.00 42.33 C ATOM 36 C LEU A 3 6.052 -11.198 -7.456 1.00 33.40 C ATOM 37 O LEU A 3 5.306 -10.308 -7.085 1.00 24.43 O ATOM 38 CB LEU A 3 7.821 -11.315 -5.579 1.00 73.34 C ATOM 39 CG LEU A 3 7.978 -12.782 -5.027 1.00 41.00 C ATOM 40 CD1 LEU A 3 8.201 -12.777 -3.497 1.00 60.12 C ATOM 41 CD2 LEU A 3 6.791 -13.700 -5.398 1.00 24.10 C ATOM 0 H LEU A 3 8.096 -9.120 -6.833 1.00 32.22 H new ATOM 0 HA LEU A 3 8.059 -11.956 -7.642 1.00 42.33 H new ATOM 0 HB2 LEU A 3 8.725 -10.762 -5.325 1.00 73.34 H new ATOM 0 HB3 LEU A 3 6.997 -10.842 -5.044 1.00 73.34 H new ATOM 0 HG LEU A 3 8.860 -13.197 -5.514 1.00 41.00 H new ATOM 0 HD11 LEU A 3 8.306 -13.802 -3.141 1.00 60.12 H new ATOM 0 HD12 LEU A 3 9.106 -12.217 -3.263 1.00 60.12 H new ATOM 0 HD13 LEU A 3 7.348 -12.309 -3.006 1.00 60.12 H new ATOM 0 HD21 LEU A 3 6.960 -14.696 -4.989 1.00 24.10 H new ATOM 0 HD22 LEU A 3 5.870 -13.289 -4.985 1.00 24.10 H new ATOM 0 HD23 LEU A 3 6.705 -13.763 -6.483 1.00 24.10 H new ATOM 53 N GLU A 4 5.612 -12.262 -8.140 1.00 54.41 N ATOM 54 CA GLU A 4 4.203 -12.420 -8.577 1.00 30.30 C ATOM 55 C GLU A 4 3.519 -13.613 -7.865 1.00 2.41 C ATOM 56 O GLU A 4 4.149 -14.646 -7.624 1.00 54.03 O ATOM 57 CB GLU A 4 4.132 -12.628 -10.120 1.00 73.13 C ATOM 58 CG GLU A 4 2.695 -12.806 -10.666 1.00 13.33 C ATOM 59 CD GLU A 4 2.620 -13.289 -12.119 1.00 51.11 C ATOM 60 OE1 GLU A 4 3.225 -14.341 -12.427 1.00 64.24 O ATOM 61 OE2 GLU A 4 1.908 -12.674 -12.940 1.00 21.11 O ATOM 0 H GLU A 4 6.214 -13.040 -8.409 1.00 54.41 H new ATOM 0 HA GLU A 4 3.673 -11.506 -8.307 1.00 30.30 H new ATOM 0 HB2 GLU A 4 4.594 -11.773 -10.613 1.00 73.13 H new ATOM 0 HB3 GLU A 4 4.722 -13.505 -10.385 1.00 73.13 H new ATOM 0 HG2 GLU A 4 2.165 -13.517 -10.033 1.00 13.33 H new ATOM 0 HG3 GLU A 4 2.169 -11.855 -10.586 1.00 13.33 H new ATOM 68 N TRP A 5 2.230 -13.449 -7.523 1.00 21.04 N ATOM 69 CA TRP A 5 1.360 -14.551 -7.082 1.00 52.43 C ATOM 70 C TRP A 5 0.496 -15.053 -8.261 1.00 42.32 C ATOM 71 O TRP A 5 0.027 -14.268 -9.083 1.00 50.22 O ATOM 72 CB TRP A 5 0.455 -14.111 -5.906 1.00 53.22 C ATOM 73 CG TRP A 5 -0.392 -15.236 -5.359 1.00 40.11 C ATOM 74 CD1 TRP A 5 0.050 -16.324 -4.663 1.00 12.11 C ATOM 75 CD2 TRP A 5 -1.808 -15.397 -5.489 1.00 3.14 C ATOM 76 NE1 TRP A 5 -0.998 -17.152 -4.373 1.00 12.33 N ATOM 77 CE2 TRP A 5 -2.148 -16.607 -4.864 1.00 25.44 C ATOM 78 CE3 TRP A 5 -2.821 -14.636 -6.080 1.00 55.44 C ATOM 79 CZ2 TRP A 5 -3.455 -17.078 -4.812 1.00 52.13 C ATOM 80 CZ3 TRP A 5 -4.117 -15.105 -6.028 1.00 75.22 C ATOM 81 CH2 TRP A 5 -4.424 -16.319 -5.404 1.00 40.01 C ATOM 0 H TRP A 5 1.761 -12.544 -7.545 1.00 21.04 H new ATOM 0 HA TRP A 5 1.995 -15.365 -6.734 1.00 52.43 H new ATOM 0 HB2 TRP A 5 1.078 -13.710 -5.106 1.00 53.22 H new ATOM 0 HB3 TRP A 5 -0.196 -13.302 -6.239 1.00 53.22 H new ATOM 0 HD1 TRP A 5 1.077 -16.504 -4.383 1.00 12.11 H new ATOM 0 HE1 TRP A 5 -0.931 -18.037 -3.870 1.00 12.33 H new ATOM 0 HE3 TRP A 5 -2.593 -13.700 -6.568 1.00 55.44 H new ATOM 0 HZ2 TRP A 5 -3.695 -18.010 -4.322 1.00 52.13 H new ATOM 0 HZ3 TRP A 5 -4.909 -14.525 -6.477 1.00 75.22 H new ATOM 0 HH2 TRP A 5 -5.448 -16.663 -5.390 1.00 40.01 H new ATOM 92 N ARG A 6 0.285 -16.370 -8.311 1.00 23.04 N ATOM 93 CA ARG A 6 -0.456 -17.044 -9.395 1.00 13.53 C ATOM 94 C ARG A 6 -1.453 -18.075 -8.821 1.00 61.14 C ATOM 95 O ARG A 6 -1.332 -18.490 -7.661 1.00 53.33 O ATOM 96 CB ARG A 6 0.530 -17.734 -10.397 1.00 70.05 C ATOM 97 CG ARG A 6 1.571 -18.701 -9.766 1.00 62.12 C ATOM 98 CD ARG A 6 2.753 -17.972 -9.092 1.00 41.22 C ATOM 99 NE ARG A 6 3.666 -18.888 -8.389 1.00 44.14 N ATOM 100 CZ ARG A 6 4.573 -18.520 -7.503 1.00 22.43 C ATOM 101 NH1 ARG A 6 4.755 -17.278 -7.195 1.00 0.33 N ATOM 102 NH2 ARG A 6 5.327 -19.408 -6.958 1.00 23.51 N ATOM 0 H ARG A 6 0.625 -17.011 -7.595 1.00 23.04 H new ATOM 0 HA ARG A 6 -1.022 -16.286 -9.937 1.00 13.53 H new ATOM 0 HB2 ARG A 6 -0.056 -18.289 -11.129 1.00 70.05 H new ATOM 0 HB3 ARG A 6 1.067 -16.957 -10.941 1.00 70.05 H new ATOM 0 HG2 ARG A 6 1.072 -19.329 -9.028 1.00 62.12 H new ATOM 0 HG3 ARG A 6 1.956 -19.364 -10.540 1.00 62.12 H new ATOM 0 HD2 ARG A 6 3.311 -17.420 -9.848 1.00 41.22 H new ATOM 0 HD3 ARG A 6 2.365 -17.239 -8.384 1.00 41.22 H new ATOM 0 HE ARG A 6 3.592 -19.883 -8.603 1.00 44.14 H new ATOM 0 HH11 ARG A 6 4.191 -16.554 -7.640 1.00 0.33 H new ATOM 0 HH12 ARG A 6 5.463 -17.022 -6.507 1.00 0.33 H new ATOM 0 HH21 ARG A 6 5.223 -20.391 -7.211 1.00 23.51 H new ATOM 0 HH22 ARG A 6 6.030 -19.130 -6.273 1.00 23.51 H new ATOM 116 N ALA A 7 -2.432 -18.486 -9.645 1.00 70.25 N ATOM 117 CA ALA A 7 -3.374 -19.566 -9.287 1.00 1.30 C ATOM 118 C ALA A 7 -2.642 -20.931 -9.232 1.00 32.43 C ATOM 119 O ALA A 7 -1.899 -21.282 -10.155 1.00 22.20 O ATOM 120 CB ALA A 7 -4.550 -19.600 -10.278 1.00 53.22 C ATOM 0 H ALA A 7 -2.594 -18.085 -10.569 1.00 70.25 H new ATOM 0 HA ALA A 7 -3.777 -19.366 -8.294 1.00 1.30 H new ATOM 0 HB1 ALA A 7 -5.236 -20.401 -10.001 1.00 53.22 H new ATOM 0 HB2 ALA A 7 -5.076 -18.646 -10.251 1.00 53.22 H new ATOM 0 HB3 ALA A 7 -4.172 -19.777 -11.285 1.00 53.22 H new ATOM 126 N GLY A 8 -2.869 -21.686 -8.140 1.00 21.42 N ATOM 127 CA GLY A 8 -2.152 -22.947 -7.865 1.00 4.50 C ATOM 128 C GLY A 8 -0.960 -22.793 -6.900 1.00 63.13 C ATOM 129 O GLY A 8 -0.314 -23.793 -6.544 1.00 64.45 O ATOM 0 H GLY A 8 -3.553 -21.440 -7.425 1.00 21.42 H new ATOM 0 HA2 GLY A 8 -2.854 -23.668 -7.447 1.00 4.50 H new ATOM 0 HA3 GLY A 8 -1.793 -23.361 -8.807 1.00 4.50 H new ATOM 133 N ALA A 9 -0.652 -21.542 -6.487 1.00 73.41 N ATOM 134 CA ALA A 9 0.433 -21.258 -5.517 1.00 71.25 C ATOM 135 C ALA A 9 0.069 -21.731 -4.084 1.00 10.14 C ATOM 136 O ALA A 9 -1.090 -21.650 -3.664 1.00 22.11 O ATOM 137 CB ALA A 9 0.788 -19.766 -5.526 1.00 41.12 C ATOM 0 H ALA A 9 -1.142 -20.709 -6.812 1.00 73.41 H new ATOM 0 HA ALA A 9 1.309 -21.826 -5.831 1.00 71.25 H new ATOM 0 HB1 ALA A 9 1.586 -19.578 -4.808 1.00 41.12 H new ATOM 0 HB2 ALA A 9 1.121 -19.477 -6.523 1.00 41.12 H new ATOM 0 HB3 ALA A 9 -0.091 -19.181 -5.254 1.00 41.12 H new ATOM 143 N SER A 10 1.093 -22.190 -3.341 1.00 41.13 N ATOM 144 CA SER A 10 0.932 -22.736 -1.960 1.00 41.41 C ATOM 145 C SER A 10 0.918 -21.620 -0.895 1.00 24.14 C ATOM 146 O SER A 10 1.309 -20.484 -1.175 1.00 41.10 O ATOM 147 CB SER A 10 2.061 -23.747 -1.642 1.00 20.34 C ATOM 148 OG SER A 10 1.974 -24.906 -2.457 1.00 70.24 O ATOM 0 H SER A 10 2.058 -22.197 -3.671 1.00 41.13 H new ATOM 0 HA SER A 10 -0.032 -23.244 -1.926 1.00 41.41 H new ATOM 0 HB2 SER A 10 3.029 -23.269 -1.791 1.00 20.34 H new ATOM 0 HB3 SER A 10 2.006 -24.035 -0.592 1.00 20.34 H new ATOM 0 HG SER A 10 2.703 -25.521 -2.230 1.00 70.24 H new ATOM 154 N SER A 11 0.502 -21.974 0.343 1.00 20.33 N ATOM 155 CA SER A 11 0.386 -21.007 1.465 1.00 34.21 C ATOM 156 C SER A 11 1.745 -20.379 1.834 1.00 52.51 C ATOM 157 O SER A 11 1.813 -19.197 2.123 1.00 54.34 O ATOM 158 CB SER A 11 -0.235 -21.673 2.714 1.00 61.21 C ATOM 159 OG SER A 11 0.591 -22.716 3.217 1.00 50.13 O ATOM 0 H SER A 11 0.239 -22.927 0.593 1.00 20.33 H new ATOM 0 HA SER A 11 -0.273 -20.210 1.120 1.00 34.21 H new ATOM 0 HB2 SER A 11 -0.387 -20.922 3.490 1.00 61.21 H new ATOM 0 HB3 SER A 11 -1.217 -22.075 2.463 1.00 61.21 H new ATOM 0 HG SER A 11 0.170 -23.114 4.007 1.00 50.13 H new ATOM 165 N ASP A 12 2.823 -21.184 1.786 1.00 3.54 N ATOM 166 CA ASP A 12 4.201 -20.717 2.077 1.00 24.21 C ATOM 167 C ASP A 12 4.680 -19.682 1.032 1.00 53.41 C ATOM 168 O ASP A 12 5.415 -18.744 1.374 1.00 52.42 O ATOM 169 CB ASP A 12 5.164 -21.919 2.127 1.00 32.42 C ATOM 170 CG ASP A 12 4.774 -22.930 3.215 1.00 70.31 C ATOM 171 OD1 ASP A 12 3.941 -23.816 2.943 1.00 72.33 O ATOM 172 OD2 ASP A 12 5.282 -22.829 4.357 1.00 5.13 O ATOM 0 H ASP A 12 2.769 -22.174 1.546 1.00 3.54 H new ATOM 0 HA ASP A 12 4.194 -20.224 3.049 1.00 24.21 H new ATOM 0 HB2 ASP A 12 5.172 -22.417 1.157 1.00 32.42 H new ATOM 0 HB3 ASP A 12 6.178 -21.563 2.311 1.00 32.42 H new ATOM 177 N GLU A 13 4.265 -19.870 -0.242 1.00 61.42 N ATOM 178 CA GLU A 13 4.506 -18.877 -1.315 1.00 12.52 C ATOM 179 C GLU A 13 3.804 -17.543 -0.978 1.00 12.31 C ATOM 180 O GLU A 13 4.424 -16.477 -1.027 1.00 74.31 O ATOM 181 CB GLU A 13 4.014 -19.400 -2.696 1.00 35.41 C ATOM 182 CG GLU A 13 4.714 -20.682 -3.197 1.00 40.14 C ATOM 183 CD GLU A 13 6.241 -20.526 -3.375 1.00 3.21 C ATOM 184 OE1 GLU A 13 6.685 -20.026 -4.428 1.00 62.51 O ATOM 185 OE2 GLU A 13 7.005 -20.883 -2.449 1.00 41.53 O ATOM 0 H GLU A 13 3.761 -20.701 -0.552 1.00 61.42 H new ATOM 0 HA GLU A 13 5.582 -18.713 -1.379 1.00 12.52 H new ATOM 0 HB2 GLU A 13 2.942 -19.590 -2.635 1.00 35.41 H new ATOM 0 HB3 GLU A 13 4.156 -18.613 -3.437 1.00 35.41 H new ATOM 0 HG2 GLU A 13 4.520 -21.491 -2.492 1.00 40.14 H new ATOM 0 HG3 GLU A 13 4.274 -20.977 -4.150 1.00 40.14 H new ATOM 192 N ILE A 14 2.515 -17.642 -0.592 1.00 3.40 N ATOM 193 CA ILE A 14 1.675 -16.471 -0.258 1.00 1.43 C ATOM 194 C ILE A 14 2.208 -15.725 0.993 1.00 60.51 C ATOM 195 O ILE A 14 2.228 -14.515 1.003 1.00 52.45 O ATOM 196 CB ILE A 14 0.162 -16.870 -0.026 1.00 21.33 C ATOM 197 CG1 ILE A 14 -0.376 -17.721 -1.220 1.00 11.21 C ATOM 198 CG2 ILE A 14 -0.720 -15.611 0.182 1.00 72.23 C ATOM 199 CD1 ILE A 14 -1.849 -18.116 -1.143 1.00 73.52 C ATOM 0 H ILE A 14 2.027 -18.533 -0.503 1.00 3.40 H new ATOM 0 HA ILE A 14 1.728 -15.805 -1.119 1.00 1.43 H new ATOM 0 HB ILE A 14 0.111 -17.475 0.879 1.00 21.33 H new ATOM 0 HG12 ILE A 14 -0.217 -17.161 -2.142 1.00 11.21 H new ATOM 0 HG13 ILE A 14 0.221 -18.630 -1.292 1.00 11.21 H new ATOM 0 HG21 ILE A 14 -1.755 -15.914 0.339 1.00 72.23 H new ATOM 0 HG22 ILE A 14 -0.367 -15.059 1.053 1.00 72.23 H new ATOM 0 HG23 ILE A 14 -0.658 -14.974 -0.700 1.00 72.23 H new ATOM 0 HD11 ILE A 14 -2.115 -18.703 -2.022 1.00 73.52 H new ATOM 0 HD12 ILE A 14 -2.020 -18.709 -0.245 1.00 73.52 H new ATOM 0 HD13 ILE A 14 -2.465 -17.218 -1.107 1.00 73.52 H new ATOM 211 N ASN A 15 2.654 -16.466 2.023 1.00 33.11 N ATOM 212 CA ASN A 15 3.158 -15.889 3.302 1.00 62.33 C ATOM 213 C ASN A 15 4.479 -15.108 3.113 1.00 12.22 C ATOM 214 O ASN A 15 4.719 -14.105 3.799 1.00 72.34 O ATOM 215 CB ASN A 15 3.320 -17.003 4.368 1.00 31.23 C ATOM 216 CG ASN A 15 1.989 -17.546 4.905 1.00 43.12 C ATOM 217 OD1 ASN A 15 0.958 -17.504 4.242 1.00 32.13 O ATOM 218 ND2 ASN A 15 2.008 -18.059 6.120 1.00 25.45 N ATOM 0 H ASN A 15 2.679 -17.485 2.001 1.00 33.11 H new ATOM 0 HA ASN A 15 2.416 -15.171 3.652 1.00 62.33 H new ATOM 0 HB2 ASN A 15 3.889 -17.826 3.936 1.00 31.23 H new ATOM 0 HB3 ASN A 15 3.905 -16.613 5.201 1.00 31.23 H new ATOM 0 HD21 ASN A 15 1.152 -18.433 6.529 1.00 25.45 H new ATOM 0 HD22 ASN A 15 2.879 -18.082 6.650 1.00 25.45 H new ATOM 225 N ALA A 16 5.327 -15.578 2.180 1.00 42.34 N ATOM 226 CA ALA A 16 6.538 -14.839 1.754 1.00 61.21 C ATOM 227 C ALA A 16 6.148 -13.512 1.049 1.00 40.41 C ATOM 228 O ALA A 16 6.758 -12.468 1.277 1.00 4.32 O ATOM 229 CB ALA A 16 7.394 -15.718 0.830 1.00 42.44 C ATOM 0 H ALA A 16 5.198 -16.470 1.703 1.00 42.34 H new ATOM 0 HA ALA A 16 7.126 -14.590 2.637 1.00 61.21 H new ATOM 0 HB1 ALA A 16 8.282 -15.166 0.522 1.00 42.44 H new ATOM 0 HB2 ALA A 16 7.694 -16.621 1.362 1.00 42.44 H new ATOM 0 HB3 ALA A 16 6.814 -15.992 -0.051 1.00 42.44 H new ATOM 235 N ILE A 17 5.096 -13.595 0.212 1.00 15.34 N ATOM 236 CA ILE A 17 4.491 -12.437 -0.489 1.00 11.13 C ATOM 237 C ILE A 17 3.822 -11.444 0.505 1.00 31.31 C ATOM 238 O ILE A 17 3.924 -10.230 0.328 1.00 34.11 O ATOM 239 CB ILE A 17 3.455 -12.964 -1.561 1.00 2.45 C ATOM 240 CG1 ILE A 17 4.208 -13.731 -2.699 1.00 64.14 C ATOM 241 CG2 ILE A 17 2.550 -11.844 -2.131 1.00 14.31 C ATOM 242 CD1 ILE A 17 3.316 -14.486 -3.673 1.00 20.44 C ATOM 0 H ILE A 17 4.633 -14.479 -0.002 1.00 15.34 H new ATOM 0 HA ILE A 17 5.281 -11.882 -0.995 1.00 11.13 H new ATOM 0 HB ILE A 17 2.782 -13.655 -1.053 1.00 2.45 H new ATOM 0 HG12 ILE A 17 4.809 -13.016 -3.261 1.00 64.14 H new ATOM 0 HG13 ILE A 17 4.900 -14.439 -2.242 1.00 64.14 H new ATOM 0 HG21 ILE A 17 1.861 -12.269 -2.861 1.00 14.31 H new ATOM 0 HG22 ILE A 17 1.983 -11.387 -1.320 1.00 14.31 H new ATOM 0 HG23 ILE A 17 3.168 -11.087 -2.613 1.00 14.31 H new ATOM 0 HD11 ILE A 17 3.933 -14.983 -4.422 1.00 20.44 H new ATOM 0 HD12 ILE A 17 2.734 -15.231 -3.131 1.00 20.44 H new ATOM 0 HD13 ILE A 17 2.641 -13.786 -4.166 1.00 20.44 H new ATOM 254 N ILE A 18 3.182 -11.978 1.562 1.00 24.32 N ATOM 255 CA ILE A 18 2.519 -11.176 2.620 1.00 24.41 C ATOM 256 C ILE A 18 3.549 -10.287 3.336 1.00 4.23 C ATOM 257 O ILE A 18 3.363 -9.084 3.448 1.00 42.32 O ATOM 258 CB ILE A 18 1.790 -12.102 3.673 1.00 42.10 C ATOM 259 CG1 ILE A 18 0.571 -12.821 3.026 1.00 63.50 C ATOM 260 CG2 ILE A 18 1.351 -11.325 4.940 1.00 4.31 C ATOM 261 CD1 ILE A 18 -0.074 -13.882 3.894 1.00 44.14 C ATOM 0 H ILE A 18 3.107 -12.984 1.711 1.00 24.32 H new ATOM 0 HA ILE A 18 1.768 -10.548 2.140 1.00 24.41 H new ATOM 0 HB ILE A 18 2.515 -12.851 3.990 1.00 42.10 H new ATOM 0 HG12 ILE A 18 -0.180 -12.074 2.771 1.00 63.50 H new ATOM 0 HG13 ILE A 18 0.892 -13.282 2.092 1.00 63.50 H new ATOM 0 HG21 ILE A 18 0.855 -12.007 5.631 1.00 4.31 H new ATOM 0 HG22 ILE A 18 2.227 -10.892 5.423 1.00 4.31 H new ATOM 0 HG23 ILE A 18 0.661 -10.529 4.658 1.00 4.31 H new ATOM 0 HD11 ILE A 18 -0.914 -14.328 3.360 1.00 44.14 H new ATOM 0 HD12 ILE A 18 0.658 -14.655 4.129 1.00 44.14 H new ATOM 0 HD13 ILE A 18 -0.431 -13.428 4.818 1.00 44.14 H new ATOM 273 N ARG A 19 4.644 -10.907 3.794 1.00 4.24 N ATOM 274 CA ARG A 19 5.744 -10.191 4.465 1.00 72.22 C ATOM 275 C ARG A 19 6.491 -9.240 3.514 1.00 74.34 C ATOM 276 O ARG A 19 7.049 -8.250 3.961 1.00 54.05 O ATOM 277 CB ARG A 19 6.731 -11.184 5.096 1.00 12.10 C ATOM 278 CG ARG A 19 6.153 -11.988 6.274 1.00 33.41 C ATOM 279 CD ARG A 19 7.233 -12.820 6.971 1.00 34.14 C ATOM 280 NE ARG A 19 7.722 -13.935 6.123 1.00 1.44 N ATOM 281 CZ ARG A 19 8.944 -14.060 5.632 1.00 70.50 C ATOM 282 NH1 ARG A 19 9.835 -13.134 5.789 1.00 3.31 N ATOM 283 NH2 ARG A 19 9.252 -15.111 4.952 1.00 52.13 N ATOM 0 H ARG A 19 4.795 -11.912 3.712 1.00 4.24 H new ATOM 0 HA ARG A 19 5.292 -9.583 5.249 1.00 72.22 H new ATOM 0 HB2 ARG A 19 7.070 -11.879 4.328 1.00 12.10 H new ATOM 0 HB3 ARG A 19 7.609 -10.637 5.440 1.00 12.10 H new ATOM 0 HG2 ARG A 19 5.698 -11.306 6.992 1.00 33.41 H new ATOM 0 HG3 ARG A 19 5.362 -12.646 5.913 1.00 33.41 H new ATOM 0 HD2 ARG A 19 8.070 -12.175 7.236 1.00 34.14 H new ATOM 0 HD3 ARG A 19 6.833 -13.223 7.902 1.00 34.14 H new ATOM 0 HE ARG A 19 7.055 -14.673 5.898 1.00 1.44 H new ATOM 0 HH11 ARG A 19 9.602 -12.283 6.301 1.00 3.31 H new ATOM 0 HH12 ARG A 19 10.770 -13.255 5.400 1.00 3.31 H new ATOM 0 HH21 ARG A 19 8.555 -15.839 4.796 1.00 52.13 H new ATOM 0 HH22 ARG A 19 10.192 -15.214 4.570 1.00 52.13 H new ATOM 297 N ALA A 20 6.513 -9.565 2.213 1.00 63.42 N ATOM 298 CA ALA A 20 7.101 -8.688 1.178 1.00 51.34 C ATOM 299 C ALA A 20 6.242 -7.409 0.968 1.00 41.22 C ATOM 300 O ALA A 20 6.780 -6.326 0.714 1.00 71.01 O ATOM 301 CB ALA A 20 7.265 -9.473 -0.128 1.00 0.33 C ATOM 0 H ALA A 20 6.128 -10.435 1.846 1.00 63.42 H new ATOM 0 HA ALA A 20 8.084 -8.358 1.513 1.00 51.34 H new ATOM 0 HB1 ALA A 20 7.699 -8.825 -0.890 1.00 0.33 H new ATOM 0 HB2 ALA A 20 7.923 -10.326 0.040 1.00 0.33 H new ATOM 0 HB3 ALA A 20 6.291 -9.827 -0.464 1.00 0.33 H new ATOM 307 N VAL A 21 4.903 -7.562 1.088 1.00 31.15 N ATOM 308 CA VAL A 21 3.943 -6.434 1.060 1.00 45.12 C ATOM 309 C VAL A 21 4.088 -5.576 2.337 1.00 0.21 C ATOM 310 O VAL A 21 4.311 -4.378 2.256 1.00 53.35 O ATOM 311 CB VAL A 21 2.456 -6.955 0.934 1.00 54.55 C ATOM 312 CG1 VAL A 21 1.423 -5.824 1.163 1.00 65.15 C ATOM 313 CG2 VAL A 21 2.219 -7.636 -0.435 1.00 3.11 C ATOM 0 H VAL A 21 4.457 -8.472 1.207 1.00 31.15 H new ATOM 0 HA VAL A 21 4.170 -5.823 0.187 1.00 45.12 H new ATOM 0 HB VAL A 21 2.312 -7.696 1.720 1.00 54.55 H new ATOM 0 HG11 VAL A 21 0.415 -6.227 1.067 1.00 65.15 H new ATOM 0 HG12 VAL A 21 1.554 -5.408 2.162 1.00 65.15 H new ATOM 0 HG13 VAL A 21 1.572 -5.039 0.421 1.00 65.15 H new ATOM 0 HG21 VAL A 21 1.188 -7.985 -0.494 1.00 3.11 H new ATOM 0 HG22 VAL A 21 2.406 -6.920 -1.235 1.00 3.11 H new ATOM 0 HG23 VAL A 21 2.896 -8.484 -0.542 1.00 3.11 H new ATOM 323 N TYR A 22 3.992 -6.237 3.503 1.00 60.50 N ATOM 324 CA TYR A 22 4.116 -5.607 4.837 1.00 14.22 C ATOM 325 C TYR A 22 5.440 -4.810 4.984 1.00 3.44 C ATOM 326 O TYR A 22 5.424 -3.634 5.335 1.00 62.21 O ATOM 327 CB TYR A 22 4.013 -6.699 5.950 1.00 12.02 C ATOM 328 CG TYR A 22 2.600 -6.967 6.496 1.00 3.52 C ATOM 329 CD1 TYR A 22 1.690 -7.759 5.800 1.00 41.14 C ATOM 330 CD2 TYR A 22 2.191 -6.446 7.730 1.00 53.02 C ATOM 331 CE1 TYR A 22 0.432 -8.022 6.310 1.00 65.21 C ATOM 332 CE2 TYR A 22 0.929 -6.703 8.238 1.00 13.34 C ATOM 333 CZ TYR A 22 0.054 -7.495 7.524 1.00 32.25 C ATOM 334 OH TYR A 22 -1.197 -7.779 8.034 1.00 52.33 O ATOM 0 H TYR A 22 3.823 -7.242 3.550 1.00 60.50 H new ATOM 0 HA TYR A 22 3.297 -4.896 4.947 1.00 14.22 H new ATOM 0 HB2 TYR A 22 4.412 -7.633 5.554 1.00 12.02 H new ATOM 0 HB3 TYR A 22 4.654 -6.405 6.781 1.00 12.02 H new ATOM 0 HD1 TYR A 22 1.972 -8.175 4.844 1.00 41.14 H new ATOM 0 HD2 TYR A 22 2.874 -5.831 8.297 1.00 53.02 H new ATOM 0 HE1 TYR A 22 -0.256 -8.642 5.754 1.00 65.21 H new ATOM 0 HE2 TYR A 22 0.631 -6.286 9.188 1.00 13.34 H new ATOM 0 HH TYR A 22 -1.334 -8.749 8.042 1.00 52.33 H new ATOM 344 N ARG A 23 6.569 -5.459 4.668 1.00 55.13 N ATOM 345 CA ARG A 23 7.918 -4.861 4.815 1.00 31.21 C ATOM 346 C ARG A 23 8.081 -3.602 3.924 1.00 1.21 C ATOM 347 O ARG A 23 8.748 -2.633 4.304 1.00 0.02 O ATOM 348 CB ARG A 23 9.005 -5.919 4.480 1.00 11.12 C ATOM 349 CG ARG A 23 10.412 -5.600 5.030 1.00 21.15 C ATOM 350 CD ARG A 23 11.436 -6.720 4.780 1.00 53.13 C ATOM 351 NE ARG A 23 12.638 -6.551 5.621 1.00 25.51 N ATOM 352 CZ ARG A 23 13.882 -6.680 5.229 1.00 62.40 C ATOM 353 NH1 ARG A 23 14.190 -6.899 3.988 1.00 14.25 N ATOM 354 NH2 ARG A 23 14.826 -6.578 6.105 1.00 44.45 N ATOM 0 H ARG A 23 6.581 -6.412 4.303 1.00 55.13 H new ATOM 0 HA ARG A 23 8.040 -4.544 5.851 1.00 31.21 H new ATOM 0 HB2 ARG A 23 8.686 -6.884 4.875 1.00 11.12 H new ATOM 0 HB3 ARG A 23 9.069 -6.023 3.397 1.00 11.12 H new ATOM 0 HG2 ARG A 23 10.773 -4.679 4.571 1.00 21.15 H new ATOM 0 HG3 ARG A 23 10.341 -5.416 6.102 1.00 21.15 H new ATOM 0 HD2 ARG A 23 10.978 -7.687 4.988 1.00 53.13 H new ATOM 0 HD3 ARG A 23 11.724 -6.724 3.729 1.00 53.13 H new ATOM 0 HE ARG A 23 12.486 -6.311 6.601 1.00 25.51 H new ATOM 0 HH11 ARG A 23 13.454 -6.975 3.286 1.00 14.25 H new ATOM 0 HH12 ARG A 23 15.168 -6.995 3.714 1.00 14.25 H new ATOM 0 HH21 ARG A 23 14.597 -6.400 7.083 1.00 44.45 H new ATOM 0 HH22 ARG A 23 15.800 -6.676 5.819 1.00 44.45 H new ATOM 368 N GLN A 24 7.430 -3.637 2.747 1.00 42.12 N ATOM 369 CA GLN A 24 7.410 -2.513 1.793 1.00 11.12 C ATOM 370 C GLN A 24 6.484 -1.361 2.277 1.00 14.32 C ATOM 371 O GLN A 24 6.871 -0.189 2.221 1.00 35.11 O ATOM 372 CB GLN A 24 6.965 -3.026 0.393 1.00 40.24 C ATOM 373 CG GLN A 24 6.845 -1.940 -0.701 1.00 2.12 C ATOM 374 CD GLN A 24 8.139 -1.159 -0.970 1.00 43.32 C ATOM 375 OE1 GLN A 24 9.247 -1.668 -0.817 1.00 13.51 O ATOM 376 NE2 GLN A 24 8.009 0.078 -1.409 1.00 10.51 N ATOM 0 H GLN A 24 6.901 -4.449 2.430 1.00 42.12 H new ATOM 0 HA GLN A 24 8.418 -2.105 1.725 1.00 11.12 H new ATOM 0 HB2 GLN A 24 7.677 -3.780 0.057 1.00 40.24 H new ATOM 0 HB3 GLN A 24 6.000 -3.523 0.496 1.00 40.24 H new ATOM 0 HG2 GLN A 24 6.521 -2.412 -1.629 1.00 2.12 H new ATOM 0 HG3 GLN A 24 6.065 -1.236 -0.412 1.00 2.12 H new ATOM 0 HE21 GLN A 24 7.080 0.482 -1.529 1.00 10.51 H new ATOM 0 HE22 GLN A 24 8.838 0.631 -1.629 1.00 10.51 H new ATOM 385 N VAL A 25 5.283 -1.709 2.790 1.00 53.42 N ATOM 386 CA VAL A 25 4.266 -0.714 3.224 1.00 4.22 C ATOM 387 C VAL A 25 4.716 0.038 4.501 1.00 34.03 C ATOM 388 O VAL A 25 4.420 1.214 4.660 1.00 12.22 O ATOM 389 CB VAL A 25 2.844 -1.369 3.435 1.00 14.21 C ATOM 390 CG1 VAL A 25 1.817 -0.364 4.034 1.00 3.30 C ATOM 391 CG2 VAL A 25 2.301 -1.961 2.107 1.00 45.54 C ATOM 0 H VAL A 25 4.989 -2.678 2.916 1.00 53.42 H new ATOM 0 HA VAL A 25 4.176 0.012 2.416 1.00 4.22 H new ATOM 0 HB VAL A 25 2.974 -2.177 4.155 1.00 14.21 H new ATOM 0 HG11 VAL A 25 0.855 -0.860 4.161 1.00 3.30 H new ATOM 0 HG12 VAL A 25 2.174 -0.012 5.002 1.00 3.30 H new ATOM 0 HG13 VAL A 25 1.702 0.484 3.359 1.00 3.30 H new ATOM 0 HG21 VAL A 25 1.321 -2.406 2.281 1.00 45.54 H new ATOM 0 HG22 VAL A 25 2.213 -1.168 1.364 1.00 45.54 H new ATOM 0 HG23 VAL A 25 2.987 -2.726 1.742 1.00 45.54 H new ATOM 401 N LEU A 26 5.449 -0.634 5.400 1.00 30.25 N ATOM 402 CA LEU A 26 6.022 0.024 6.598 1.00 1.52 C ATOM 403 C LEU A 26 7.434 0.610 6.327 1.00 20.21 C ATOM 404 O LEU A 26 7.901 1.460 7.085 1.00 62.42 O ATOM 405 CB LEU A 26 6.045 -0.939 7.823 1.00 53.43 C ATOM 406 CG LEU A 26 4.637 -1.296 8.442 1.00 64.41 C ATOM 407 CD1 LEU A 26 3.991 -2.541 7.787 1.00 20.54 C ATOM 408 CD2 LEU A 26 4.722 -1.454 9.974 1.00 23.13 C ATOM 0 H LEU A 26 5.662 -1.629 5.327 1.00 30.25 H new ATOM 0 HA LEU A 26 5.365 0.860 6.838 1.00 1.52 H new ATOM 0 HB2 LEU A 26 6.535 -1.866 7.524 1.00 53.43 H new ATOM 0 HB3 LEU A 26 6.661 -0.490 8.603 1.00 53.43 H new ATOM 0 HG LEU A 26 3.981 -0.453 8.222 1.00 64.41 H new ATOM 0 HD11 LEU A 26 3.026 -2.738 8.253 1.00 20.54 H new ATOM 0 HD12 LEU A 26 3.849 -2.359 6.722 1.00 20.54 H new ATOM 0 HD13 LEU A 26 4.643 -3.404 7.924 1.00 20.54 H new ATOM 0 HD21 LEU A 26 3.736 -1.700 10.370 1.00 23.13 H new ATOM 0 HD22 LEU A 26 5.421 -2.254 10.219 1.00 23.13 H new ATOM 0 HD23 LEU A 26 5.069 -0.521 10.417 1.00 23.13 H new ATOM 420 N GLY A 27 8.103 0.160 5.240 1.00 70.53 N ATOM 421 CA GLY A 27 9.490 0.596 4.921 1.00 53.43 C ATOM 422 C GLY A 27 10.525 0.130 5.965 1.00 23.35 C ATOM 423 O GLY A 27 11.575 0.754 6.159 1.00 35.24 O ATOM 0 H GLY A 27 7.710 -0.501 4.570 1.00 70.53 H new ATOM 0 HA2 GLY A 27 9.770 0.208 3.942 1.00 53.43 H new ATOM 0 HA3 GLY A 27 9.516 1.684 4.852 1.00 53.43 H new ATOM 427 N ASN A 28 10.195 -0.994 6.604 1.00 0.54 N ATOM 428 CA ASN A 28 10.917 -1.582 7.756 1.00 54.41 C ATOM 429 C ASN A 28 10.410 -3.041 7.917 1.00 54.14 C ATOM 430 O ASN A 28 9.533 -3.452 7.164 1.00 42.41 O ATOM 431 CB ASN A 28 10.651 -0.714 9.035 1.00 33.13 C ATOM 432 CG ASN A 28 11.431 -1.167 10.273 1.00 5.45 C ATOM 433 OD1 ASN A 28 10.818 -1.991 11.106 1.00 44.25 O flip ATOM 434 ND2 ASN A 28 12.573 -0.780 10.481 1.00 10.11 N flip ATOM 0 H ASN A 28 9.385 -1.550 6.329 1.00 0.54 H new ATOM 0 HA ASN A 28 11.996 -1.594 7.601 1.00 54.41 H new ATOM 0 HB2 ASN A 28 10.907 0.323 8.817 1.00 33.13 H new ATOM 0 HB3 ASN A 28 9.585 -0.738 9.262 1.00 33.13 H new ATOM 0 HD21 ASN A 28 13.024 -0.144 9.823 1.00 10.11 H new ATOM 0 HD22 ASN A 28 13.074 -1.093 11.312 1.00 10.11 H new ATOM 441 N ASP A 29 10.929 -3.827 8.883 1.00 10.33 N ATOM 442 CA ASP A 29 10.469 -5.222 9.120 1.00 73.31 C ATOM 443 C ASP A 29 9.096 -5.291 9.864 1.00 22.33 C ATOM 444 O ASP A 29 8.962 -5.999 10.868 1.00 4.42 O ATOM 445 CB ASP A 29 11.561 -6.018 9.886 1.00 11.01 C ATOM 446 CG ASP A 29 12.906 -6.043 9.148 1.00 75.32 C ATOM 447 OD1 ASP A 29 13.633 -5.026 9.169 1.00 22.31 O ATOM 448 OD2 ASP A 29 13.231 -7.073 8.523 1.00 70.05 O ATOM 0 H ASP A 29 11.669 -3.523 9.516 1.00 10.33 H new ATOM 0 HA ASP A 29 10.308 -5.681 8.145 1.00 73.31 H new ATOM 0 HB2 ASP A 29 11.701 -5.576 10.873 1.00 11.01 H new ATOM 0 HB3 ASP A 29 11.217 -7.041 10.041 1.00 11.01 H new ATOM 453 N TYR A 30 8.075 -4.574 9.299 1.00 43.14 N ATOM 454 CA TYR A 30 6.623 -4.653 9.649 1.00 14.45 C ATOM 455 C TYR A 30 6.293 -4.755 11.167 1.00 54.13 C ATOM 456 O TYR A 30 7.082 -4.348 12.020 1.00 24.52 O ATOM 457 CB TYR A 30 5.924 -5.781 8.816 1.00 70.23 C ATOM 458 CG TYR A 30 6.592 -7.165 8.891 1.00 0.11 C ATOM 459 CD1 TYR A 30 6.476 -7.964 10.029 1.00 54.31 C ATOM 460 CD2 TYR A 30 7.383 -7.641 7.839 1.00 63.13 C ATOM 461 CE1 TYR A 30 7.123 -9.177 10.116 1.00 13.24 C ATOM 462 CE2 TYR A 30 8.019 -8.859 7.921 1.00 33.12 C ATOM 463 CZ TYR A 30 7.891 -9.624 9.066 1.00 25.30 C ATOM 464 OH TYR A 30 8.545 -10.837 9.167 1.00 31.45 O ATOM 0 H TYR A 30 8.251 -3.897 8.556 1.00 43.14 H new ATOM 0 HA TYR A 30 6.209 -3.683 9.372 1.00 14.45 H new ATOM 0 HB2 TYR A 30 4.893 -5.875 9.156 1.00 70.23 H new ATOM 0 HB3 TYR A 30 5.888 -5.469 7.772 1.00 70.23 H new ATOM 0 HD1 TYR A 30 5.869 -7.626 10.856 1.00 54.31 H new ATOM 0 HD2 TYR A 30 7.496 -7.042 6.947 1.00 63.13 H new ATOM 0 HE1 TYR A 30 7.027 -9.777 11.009 1.00 13.24 H new ATOM 0 HE2 TYR A 30 8.616 -9.216 7.094 1.00 33.12 H new ATOM 0 HH TYR A 30 8.033 -11.437 9.749 1.00 31.45 H new ATOM 474 N VAL A 31 5.068 -5.240 11.484 1.00 5.34 N ATOM 475 CA VAL A 31 4.631 -5.507 12.873 1.00 75.45 C ATOM 476 C VAL A 31 4.525 -7.040 13.124 1.00 43.42 C ATOM 477 O VAL A 31 5.384 -7.617 13.803 1.00 13.51 O ATOM 478 CB VAL A 31 3.257 -4.797 13.190 1.00 74.14 C ATOM 479 CG1 VAL A 31 2.835 -5.034 14.661 1.00 70.45 C ATOM 480 CG2 VAL A 31 3.321 -3.282 12.861 1.00 64.51 C ATOM 0 H VAL A 31 4.358 -5.456 10.785 1.00 5.34 H new ATOM 0 HA VAL A 31 5.382 -5.093 13.546 1.00 75.45 H new ATOM 0 HB VAL A 31 2.495 -5.242 12.550 1.00 74.14 H new ATOM 0 HG11 VAL A 31 1.885 -4.534 14.852 1.00 70.45 H new ATOM 0 HG12 VAL A 31 2.725 -6.104 14.840 1.00 70.45 H new ATOM 0 HG13 VAL A 31 3.598 -4.631 15.328 1.00 70.45 H new ATOM 0 HG21 VAL A 31 2.361 -2.819 13.089 1.00 64.51 H new ATOM 0 HG22 VAL A 31 4.102 -2.812 13.459 1.00 64.51 H new ATOM 0 HG23 VAL A 31 3.546 -3.149 11.803 1.00 64.51 H new ATOM 490 N MET A 32 3.472 -7.686 12.551 1.00 61.51 N ATOM 491 CA MET A 32 3.117 -9.115 12.826 1.00 75.44 C ATOM 492 C MET A 32 2.888 -9.408 14.340 1.00 20.44 C ATOM 493 O MET A 32 2.822 -8.479 15.151 1.00 22.42 O ATOM 494 CB MET A 32 4.165 -10.100 12.198 1.00 13.22 C ATOM 495 CG MET A 32 3.784 -10.638 10.815 1.00 14.31 C ATOM 496 SD MET A 32 3.429 -9.339 9.614 1.00 21.02 S ATOM 497 CE MET A 32 3.036 -10.327 8.170 1.00 30.11 C ATOM 0 H MET A 32 2.844 -7.235 11.886 1.00 61.51 H new ATOM 0 HA MET A 32 2.159 -9.290 12.336 1.00 75.44 H new ATOM 0 HB2 MET A 32 5.125 -9.589 12.123 1.00 13.22 H new ATOM 0 HB3 MET A 32 4.304 -10.942 12.876 1.00 13.22 H new ATOM 0 HG2 MET A 32 4.597 -11.259 10.438 1.00 14.31 H new ATOM 0 HG3 MET A 32 2.910 -11.282 10.912 1.00 14.31 H new ATOM 0 HE1 MET A 32 3.226 -9.745 7.268 1.00 30.11 H new ATOM 0 HE2 MET A 32 3.658 -11.222 8.162 1.00 30.11 H new ATOM 0 HE3 MET A 32 1.985 -10.615 8.201 1.00 30.11 H new ATOM 507 N SER A 33 2.720 -10.715 14.676 1.00 12.42 N ATOM 508 CA SER A 33 2.548 -11.232 16.066 1.00 0.35 C ATOM 509 C SER A 33 1.191 -10.812 16.694 1.00 42.42 C ATOM 510 O SER A 33 0.306 -11.650 16.909 1.00 72.00 O ATOM 511 CB SER A 33 3.739 -10.822 16.976 1.00 44.03 C ATOM 512 OG SER A 33 3.602 -11.323 18.298 1.00 51.23 O ATOM 0 H SER A 33 2.700 -11.456 13.975 1.00 12.42 H new ATOM 0 HA SER A 33 2.538 -12.320 15.993 1.00 0.35 H new ATOM 0 HB2 SER A 33 4.669 -11.192 16.544 1.00 44.03 H new ATOM 0 HB3 SER A 33 3.813 -9.735 17.007 1.00 44.03 H new ATOM 0 HG SER A 33 4.372 -11.043 18.835 1.00 51.23 H new ATOM 518 N THR A 34 1.044 -9.507 16.973 1.00 61.02 N ATOM 519 CA THR A 34 -0.180 -8.911 17.563 1.00 15.52 C ATOM 520 C THR A 34 -1.390 -8.895 16.571 1.00 43.32 C ATOM 521 O THR A 34 -1.296 -9.385 15.434 1.00 63.52 O ATOM 522 CB THR A 34 0.131 -7.450 18.061 1.00 13.24 C ATOM 523 OG1 THR A 34 -0.965 -6.927 18.834 1.00 35.33 O ATOM 524 CG2 THR A 34 0.431 -6.493 16.895 1.00 42.34 C ATOM 0 H THR A 34 1.778 -8.821 16.795 1.00 61.02 H new ATOM 0 HA THR A 34 -0.473 -9.541 18.403 1.00 15.52 H new ATOM 0 HB THR A 34 1.021 -7.517 18.687 1.00 13.24 H new ATOM 0 HG1 THR A 34 -0.750 -6.019 19.135 1.00 35.33 H new ATOM 0 HG21 THR A 34 0.640 -5.497 17.286 1.00 42.34 H new ATOM 0 HG22 THR A 34 1.298 -6.854 16.341 1.00 42.34 H new ATOM 0 HG23 THR A 34 -0.431 -6.448 16.230 1.00 42.34 H new ATOM 532 N GLU A 35 -2.522 -8.320 17.038 1.00 0.20 N ATOM 533 CA GLU A 35 -3.766 -8.149 16.255 1.00 74.24 C ATOM 534 C GLU A 35 -3.532 -7.252 14.998 1.00 50.23 C ATOM 535 O GLU A 35 -3.626 -6.022 15.061 1.00 1.43 O ATOM 536 CB GLU A 35 -4.867 -7.534 17.177 1.00 35.14 C ATOM 537 CG GLU A 35 -6.298 -7.500 16.585 1.00 11.24 C ATOM 538 CD GLU A 35 -6.936 -8.897 16.478 1.00 50.02 C ATOM 539 OE1 GLU A 35 -7.302 -9.468 17.529 1.00 10.24 O ATOM 540 OE2 GLU A 35 -7.068 -9.436 15.361 1.00 64.33 O ATOM 0 H GLU A 35 -2.597 -7.955 17.988 1.00 0.20 H new ATOM 0 HA GLU A 35 -4.093 -9.125 15.895 1.00 74.24 H new ATOM 0 HB2 GLU A 35 -4.892 -8.100 18.108 1.00 35.14 H new ATOM 0 HB3 GLU A 35 -4.575 -6.515 17.431 1.00 35.14 H new ATOM 0 HG2 GLU A 35 -6.928 -6.865 17.208 1.00 11.24 H new ATOM 0 HG3 GLU A 35 -6.266 -7.044 15.595 1.00 11.24 H new ATOM 547 N ARG A 36 -3.159 -7.892 13.874 1.00 2.42 N ATOM 548 CA ARG A 36 -2.996 -7.227 12.555 1.00 65.14 C ATOM 549 C ARG A 36 -4.232 -7.519 11.661 1.00 22.22 C ATOM 550 O ARG A 36 -5.325 -7.793 12.181 1.00 33.54 O ATOM 551 CB ARG A 36 -1.673 -7.720 11.890 1.00 31.22 C ATOM 552 CG ARG A 36 -1.625 -9.238 11.586 1.00 60.12 C ATOM 553 CD ARG A 36 -0.267 -9.684 11.016 1.00 31.45 C ATOM 554 NE ARG A 36 -0.253 -11.112 10.669 1.00 41.21 N ATOM 555 CZ ARG A 36 0.031 -12.102 11.482 1.00 34.21 C ATOM 556 NH1 ARG A 36 0.278 -11.907 12.746 1.00 34.32 N ATOM 557 NH2 ARG A 36 0.040 -13.304 11.018 1.00 50.41 N ATOM 0 H ARG A 36 -2.959 -8.892 13.849 1.00 2.42 H new ATOM 0 HA ARG A 36 -2.930 -6.147 12.685 1.00 65.14 H new ATOM 0 HB2 ARG A 36 -1.525 -7.173 10.959 1.00 31.22 H new ATOM 0 HB3 ARG A 36 -0.838 -7.468 12.544 1.00 31.22 H new ATOM 0 HG2 ARG A 36 -1.832 -9.795 12.500 1.00 60.12 H new ATOM 0 HG3 ARG A 36 -2.413 -9.488 10.875 1.00 60.12 H new ATOM 0 HD2 ARG A 36 -0.036 -9.094 10.129 1.00 31.45 H new ATOM 0 HD3 ARG A 36 0.516 -9.482 11.747 1.00 31.45 H new ATOM 0 HE ARG A 36 -0.486 -11.356 9.706 1.00 41.21 H new ATOM 0 HH11 ARG A 36 0.254 -10.963 13.131 1.00 34.32 H new ATOM 0 HH12 ARG A 36 0.496 -12.699 13.351 1.00 34.32 H new ATOM 0 HH21 ARG A 36 -0.171 -13.473 10.034 1.00 50.41 H new ATOM 0 HH22 ARG A 36 0.258 -14.087 11.634 1.00 50.41 H new ATOM 571 N LEU A 37 -4.073 -7.428 10.319 1.00 64.14 N ATOM 572 CA LEU A 37 -5.104 -7.882 9.362 1.00 20.24 C ATOM 573 C LEU A 37 -5.387 -9.398 9.543 1.00 1.30 C ATOM 574 O LEU A 37 -4.669 -10.236 9.007 1.00 32.04 O ATOM 575 CB LEU A 37 -4.666 -7.598 7.899 1.00 73.33 C ATOM 576 CG LEU A 37 -4.407 -6.106 7.521 1.00 53.35 C ATOM 577 CD1 LEU A 37 -3.893 -5.995 6.074 1.00 12.44 C ATOM 578 CD2 LEU A 37 -5.673 -5.240 7.723 1.00 41.34 C ATOM 0 H LEU A 37 -3.238 -7.043 9.877 1.00 64.14 H new ATOM 0 HA LEU A 37 -6.018 -7.324 9.566 1.00 20.24 H new ATOM 0 HB2 LEU A 37 -3.754 -8.162 7.701 1.00 73.33 H new ATOM 0 HB3 LEU A 37 -5.434 -7.989 7.232 1.00 73.33 H new ATOM 0 HG LEU A 37 -3.638 -5.723 8.192 1.00 53.35 H new ATOM 0 HD11 LEU A 37 -3.718 -4.947 5.829 1.00 12.44 H new ATOM 0 HD12 LEU A 37 -2.961 -6.551 5.975 1.00 12.44 H new ATOM 0 HD13 LEU A 37 -4.636 -6.408 5.391 1.00 12.44 H new ATOM 0 HD21 LEU A 37 -5.455 -4.208 7.450 1.00 41.34 H new ATOM 0 HD22 LEU A 37 -6.478 -5.620 7.093 1.00 41.34 H new ATOM 0 HD23 LEU A 37 -5.979 -5.282 8.768 1.00 41.34 H new ATOM 590 N THR A 38 -6.382 -9.730 10.379 1.00 63.03 N ATOM 591 CA THR A 38 -6.820 -11.133 10.578 1.00 30.24 C ATOM 592 C THR A 38 -7.626 -11.653 9.357 1.00 51.32 C ATOM 593 O THR A 38 -7.290 -12.688 8.775 1.00 42.21 O ATOM 594 CB THR A 38 -7.636 -11.322 11.915 1.00 42.04 C ATOM 595 OG1 THR A 38 -8.136 -12.670 12.012 1.00 72.24 O ATOM 596 CG2 THR A 38 -8.795 -10.317 12.055 1.00 31.23 C ATOM 0 H THR A 38 -6.904 -9.050 10.932 1.00 63.03 H new ATOM 0 HA THR A 38 -5.915 -11.733 10.667 1.00 30.24 H new ATOM 0 HB THR A 38 -6.944 -11.128 12.734 1.00 42.04 H new ATOM 0 HG1 THR A 38 -8.639 -12.773 12.847 1.00 72.24 H new ATOM 0 HG21 THR A 38 -9.320 -10.495 12.993 1.00 31.23 H new ATOM 0 HG22 THR A 38 -8.399 -9.302 12.048 1.00 31.23 H new ATOM 0 HG23 THR A 38 -9.487 -10.442 11.223 1.00 31.23 H new ATOM 604 N SER A 39 -8.659 -10.888 8.958 1.00 74.41 N ATOM 605 CA SER A 39 -9.585 -11.260 7.865 1.00 42.44 C ATOM 606 C SER A 39 -8.919 -11.080 6.483 1.00 34.15 C ATOM 607 O SER A 39 -8.916 -12.001 5.671 1.00 32.10 O ATOM 608 CB SER A 39 -10.878 -10.412 7.952 1.00 4.44 C ATOM 609 OG SER A 39 -11.475 -10.510 9.236 1.00 62.01 O ATOM 0 H SER A 39 -8.878 -9.988 9.386 1.00 74.41 H new ATOM 0 HA SER A 39 -9.840 -12.313 7.980 1.00 42.44 H new ATOM 0 HB2 SER A 39 -10.646 -9.369 7.735 1.00 4.44 H new ATOM 0 HB3 SER A 39 -11.586 -10.746 7.193 1.00 4.44 H new ATOM 0 HG SER A 39 -12.288 -9.963 9.261 1.00 62.01 H new ATOM 615 N ALA A 40 -8.310 -9.893 6.258 1.00 11.15 N ATOM 616 CA ALA A 40 -7.757 -9.498 4.930 1.00 21.14 C ATOM 617 C ALA A 40 -6.563 -10.381 4.503 1.00 32.13 C ATOM 618 O ALA A 40 -6.427 -10.742 3.328 1.00 54.32 O ATOM 619 CB ALA A 40 -7.351 -8.017 4.946 1.00 24.54 C ATOM 0 H ALA A 40 -8.186 -9.184 6.981 1.00 11.15 H new ATOM 0 HA ALA A 40 -8.545 -9.649 4.192 1.00 21.14 H new ATOM 0 HB1 ALA A 40 -6.949 -7.739 3.972 1.00 24.54 H new ATOM 0 HB2 ALA A 40 -8.224 -7.403 5.166 1.00 24.54 H new ATOM 0 HB3 ALA A 40 -6.592 -7.856 5.711 1.00 24.54 H new ATOM 625 N GLU A 41 -5.700 -10.716 5.472 1.00 63.45 N ATOM 626 CA GLU A 41 -4.544 -11.608 5.242 1.00 64.01 C ATOM 627 C GLU A 41 -4.993 -13.054 4.942 1.00 35.34 C ATOM 628 O GLU A 41 -4.365 -13.753 4.142 1.00 12.43 O ATOM 629 CB GLU A 41 -3.611 -11.557 6.470 1.00 63.01 C ATOM 630 CG GLU A 41 -2.260 -12.266 6.297 1.00 20.53 C ATOM 631 CD GLU A 41 -1.341 -12.103 7.518 1.00 34.03 C ATOM 632 OE1 GLU A 41 -0.761 -11.004 7.691 1.00 74.05 O ATOM 633 OE2 GLU A 41 -1.192 -13.063 8.311 1.00 12.35 O ATOM 0 H GLU A 41 -5.778 -10.382 6.432 1.00 63.45 H new ATOM 0 HA GLU A 41 -4.001 -11.260 4.364 1.00 64.01 H new ATOM 0 HB2 GLU A 41 -3.425 -10.513 6.721 1.00 63.01 H new ATOM 0 HB3 GLU A 41 -4.130 -12.002 7.319 1.00 63.01 H new ATOM 0 HG2 GLU A 41 -2.432 -13.327 6.117 1.00 20.53 H new ATOM 0 HG3 GLU A 41 -1.758 -11.870 5.414 1.00 20.53 H new ATOM 640 N SER A 42 -6.088 -13.492 5.599 1.00 12.14 N ATOM 641 CA SER A 42 -6.741 -14.790 5.301 1.00 33.20 C ATOM 642 C SER A 42 -7.369 -14.805 3.891 1.00 42.33 C ATOM 643 O SER A 42 -7.453 -15.860 3.265 1.00 64.35 O ATOM 644 CB SER A 42 -7.823 -15.116 6.348 1.00 62.12 C ATOM 645 OG SER A 42 -7.269 -15.243 7.644 1.00 33.02 O ATOM 0 H SER A 42 -6.543 -12.964 6.344 1.00 12.14 H new ATOM 0 HA SER A 42 -5.962 -15.551 5.339 1.00 33.20 H new ATOM 0 HB2 SER A 42 -8.578 -14.330 6.349 1.00 62.12 H new ATOM 0 HB3 SER A 42 -8.328 -16.042 6.075 1.00 62.12 H new ATOM 0 HG SER A 42 -7.254 -14.366 8.081 1.00 33.02 H new ATOM 651 N LEU A 43 -7.815 -13.624 3.405 1.00 64.24 N ATOM 652 CA LEU A 43 -8.378 -13.472 2.044 1.00 40.22 C ATOM 653 C LEU A 43 -7.279 -13.581 0.957 1.00 60.42 C ATOM 654 O LEU A 43 -7.544 -14.079 -0.132 1.00 52.55 O ATOM 655 CB LEU A 43 -9.147 -12.125 1.913 1.00 24.12 C ATOM 656 CG LEU A 43 -10.404 -11.950 2.828 1.00 2.14 C ATOM 657 CD1 LEU A 43 -11.045 -10.552 2.657 1.00 12.14 C ATOM 658 CD2 LEU A 43 -11.431 -13.080 2.596 1.00 13.41 C ATOM 0 H LEU A 43 -7.795 -12.756 3.940 1.00 64.24 H new ATOM 0 HA LEU A 43 -9.081 -14.290 1.886 1.00 40.22 H new ATOM 0 HB2 LEU A 43 -8.452 -11.313 2.128 1.00 24.12 H new ATOM 0 HB3 LEU A 43 -9.461 -12.010 0.876 1.00 24.12 H new ATOM 0 HG LEU A 43 -10.067 -12.023 3.862 1.00 2.14 H new ATOM 0 HD11 LEU A 43 -11.915 -10.468 3.308 1.00 12.14 H new ATOM 0 HD12 LEU A 43 -10.318 -9.784 2.922 1.00 12.14 H new ATOM 0 HD13 LEU A 43 -11.354 -10.418 1.620 1.00 12.14 H new ATOM 0 HD21 LEU A 43 -12.292 -12.929 3.247 1.00 13.41 H new ATOM 0 HD22 LEU A 43 -11.756 -13.068 1.556 1.00 13.41 H new ATOM 0 HD23 LEU A 43 -10.971 -14.042 2.821 1.00 13.41 H new ATOM 670 N LEU A 44 -6.046 -13.106 1.240 1.00 50.52 N ATOM 671 CA LEU A 44 -4.903 -13.305 0.306 1.00 63.42 C ATOM 672 C LEU A 44 -4.454 -14.789 0.323 1.00 25.42 C ATOM 673 O LEU A 44 -4.202 -15.388 -0.730 1.00 44.34 O ATOM 674 CB LEU A 44 -3.703 -12.373 0.637 1.00 31.21 C ATOM 675 CG LEU A 44 -2.541 -12.387 -0.421 1.00 32.34 C ATOM 676 CD1 LEU A 44 -3.017 -11.867 -1.796 1.00 33.01 C ATOM 677 CD2 LEU A 44 -1.300 -11.614 0.068 1.00 32.25 C ATOM 0 H LEU A 44 -5.814 -12.591 2.089 1.00 50.52 H new ATOM 0 HA LEU A 44 -5.248 -13.042 -0.694 1.00 63.42 H new ATOM 0 HB2 LEU A 44 -4.072 -11.352 0.736 1.00 31.21 H new ATOM 0 HB3 LEU A 44 -3.295 -12.660 1.606 1.00 31.21 H new ATOM 0 HG LEU A 44 -2.243 -13.428 -0.545 1.00 32.34 H new ATOM 0 HD11 LEU A 44 -2.187 -11.891 -2.502 1.00 33.01 H new ATOM 0 HD12 LEU A 44 -3.825 -12.499 -2.164 1.00 33.01 H new ATOM 0 HD13 LEU A 44 -3.376 -10.843 -1.693 1.00 33.01 H new ATOM 0 HD21 LEU A 44 -0.524 -11.651 -0.696 1.00 32.25 H new ATOM 0 HD22 LEU A 44 -1.570 -10.576 0.260 1.00 32.25 H new ATOM 0 HD23 LEU A 44 -0.927 -12.068 0.986 1.00 32.25 H new ATOM 689 N ARG A 45 -4.385 -15.375 1.538 1.00 3.55 N ATOM 690 CA ARG A 45 -4.066 -16.813 1.740 1.00 22.22 C ATOM 691 C ARG A 45 -5.174 -17.754 1.197 1.00 71.22 C ATOM 692 O ARG A 45 -4.911 -18.934 0.932 1.00 10.51 O ATOM 693 CB ARG A 45 -3.796 -17.089 3.246 1.00 44.23 C ATOM 694 CG ARG A 45 -2.441 -16.551 3.746 1.00 33.40 C ATOM 695 CD ARG A 45 -2.230 -16.727 5.265 1.00 42.12 C ATOM 696 NE ARG A 45 -3.080 -15.819 6.068 1.00 55.21 N ATOM 697 CZ ARG A 45 -3.695 -16.133 7.192 1.00 3.15 C ATOM 698 NH1 ARG A 45 -3.710 -17.356 7.633 1.00 14.43 N ATOM 699 NH2 ARG A 45 -4.319 -15.212 7.850 1.00 0.32 N ATOM 0 H ARG A 45 -4.548 -14.869 2.408 1.00 3.55 H new ATOM 0 HA ARG A 45 -3.166 -17.031 1.165 1.00 22.22 H new ATOM 0 HB2 ARG A 45 -4.594 -16.640 3.837 1.00 44.23 H new ATOM 0 HB3 ARG A 45 -3.836 -18.164 3.421 1.00 44.23 H new ATOM 0 HG2 ARG A 45 -1.638 -17.062 3.214 1.00 33.40 H new ATOM 0 HG3 ARG A 45 -2.365 -15.492 3.497 1.00 33.40 H new ATOM 0 HD2 ARG A 45 -2.446 -17.759 5.541 1.00 42.12 H new ATOM 0 HD3 ARG A 45 -1.183 -16.545 5.506 1.00 42.12 H new ATOM 0 HE ARG A 45 -3.201 -14.867 5.722 1.00 55.21 H new ATOM 0 HH11 ARG A 45 -3.240 -18.093 7.107 1.00 14.43 H new ATOM 0 HH12 ARG A 45 -4.191 -17.578 8.505 1.00 14.43 H new ATOM 0 HH21 ARG A 45 -4.332 -14.254 7.499 1.00 0.32 H new ATOM 0 HH22 ARG A 45 -4.798 -15.443 8.720 1.00 0.32 H new ATOM 713 N GLY A 46 -6.403 -17.229 1.058 1.00 15.05 N ATOM 714 CA GLY A 46 -7.524 -17.966 0.449 1.00 70.21 C ATOM 715 C GLY A 46 -7.653 -17.746 -1.063 1.00 3.14 C ATOM 716 O GLY A 46 -8.411 -18.455 -1.735 1.00 60.13 O ATOM 0 H GLY A 46 -6.647 -16.287 1.363 1.00 15.05 H new ATOM 0 HA2 GLY A 46 -7.396 -19.031 0.643 1.00 70.21 H new ATOM 0 HA3 GLY A 46 -8.453 -17.663 0.933 1.00 70.21 H new ATOM 720 N GLY A 47 -6.883 -16.774 -1.600 1.00 24.41 N ATOM 721 CA GLY A 47 -6.989 -16.367 -3.012 1.00 41.20 C ATOM 722 C GLY A 47 -8.265 -15.590 -3.353 1.00 50.32 C ATOM 723 O GLY A 47 -8.665 -15.513 -4.518 1.00 21.02 O ATOM 0 H GLY A 47 -6.180 -16.257 -1.072 1.00 24.41 H new ATOM 0 HA2 GLY A 47 -6.125 -15.753 -3.266 1.00 41.20 H new ATOM 0 HA3 GLY A 47 -6.942 -17.258 -3.639 1.00 41.20 H new ATOM 727 N GLU A 48 -8.908 -15.027 -2.325 1.00 44.31 N ATOM 728 CA GLU A 48 -10.140 -14.224 -2.464 1.00 71.41 C ATOM 729 C GLU A 48 -9.830 -12.782 -2.932 1.00 45.42 C ATOM 730 O GLU A 48 -10.651 -12.149 -3.598 1.00 13.33 O ATOM 731 CB GLU A 48 -10.908 -14.214 -1.115 1.00 30.52 C ATOM 732 CG GLU A 48 -11.141 -15.614 -0.495 1.00 20.33 C ATOM 733 CD GLU A 48 -11.896 -16.585 -1.426 1.00 4.30 C ATOM 734 OE1 GLU A 48 -13.145 -16.522 -1.484 1.00 72.42 O ATOM 735 OE2 GLU A 48 -11.248 -17.407 -2.110 1.00 12.14 O ATOM 0 H GLU A 48 -8.589 -15.113 -1.360 1.00 44.31 H new ATOM 0 HA GLU A 48 -10.766 -14.682 -3.230 1.00 71.41 H new ATOM 0 HB2 GLU A 48 -10.355 -13.603 -0.402 1.00 30.52 H new ATOM 0 HB3 GLU A 48 -11.874 -13.733 -1.266 1.00 30.52 H new ATOM 0 HG2 GLU A 48 -10.177 -16.051 -0.233 1.00 20.33 H new ATOM 0 HG3 GLU A 48 -11.703 -15.502 0.432 1.00 20.33 H new ATOM 742 N ILE A 49 -8.646 -12.260 -2.560 1.00 61.41 N ATOM 743 CA ILE A 49 -8.141 -10.949 -3.044 1.00 21.11 C ATOM 744 C ILE A 49 -6.739 -11.122 -3.674 1.00 72.11 C ATOM 745 O ILE A 49 -6.037 -12.105 -3.395 1.00 14.43 O ATOM 746 CB ILE A 49 -8.079 -9.858 -1.899 1.00 33.13 C ATOM 747 CG1 ILE A 49 -7.049 -10.251 -0.782 1.00 32.55 C ATOM 748 CG2 ILE A 49 -9.487 -9.589 -1.304 1.00 53.32 C ATOM 749 CD1 ILE A 49 -6.889 -9.229 0.335 1.00 65.04 C ATOM 0 H ILE A 49 -8.009 -12.730 -1.917 1.00 61.41 H new ATOM 0 HA ILE A 49 -8.848 -10.593 -3.793 1.00 21.11 H new ATOM 0 HB ILE A 49 -7.728 -8.930 -2.349 1.00 33.13 H new ATOM 0 HG12 ILE A 49 -7.356 -11.201 -0.344 1.00 32.55 H new ATOM 0 HG13 ILE A 49 -6.077 -10.414 -1.247 1.00 32.55 H new ATOM 0 HG21 ILE A 49 -9.413 -8.835 -0.520 1.00 53.32 H new ATOM 0 HG22 ILE A 49 -10.152 -9.231 -2.090 1.00 53.32 H new ATOM 0 HG23 ILE A 49 -9.887 -10.512 -0.884 1.00 53.32 H new ATOM 0 HD11 ILE A 49 -6.157 -9.591 1.057 1.00 65.04 H new ATOM 0 HD12 ILE A 49 -6.548 -8.282 -0.084 1.00 65.04 H new ATOM 0 HD13 ILE A 49 -7.847 -9.081 0.833 1.00 65.04 H new ATOM 761 N SER A 50 -6.353 -10.163 -4.534 1.00 4.51 N ATOM 762 CA SER A 50 -5.022 -10.147 -5.190 1.00 44.41 C ATOM 763 C SER A 50 -4.008 -9.324 -4.360 1.00 43.40 C ATOM 764 O SER A 50 -4.394 -8.605 -3.428 1.00 11.12 O ATOM 765 CB SER A 50 -5.138 -9.601 -6.635 1.00 1.23 C ATOM 766 OG SER A 50 -3.943 -9.831 -7.363 1.00 33.00 O ATOM 0 H SER A 50 -6.948 -9.378 -4.797 1.00 4.51 H new ATOM 0 HA SER A 50 -4.651 -11.171 -5.243 1.00 44.41 H new ATOM 0 HB2 SER A 50 -5.975 -10.080 -7.143 1.00 1.23 H new ATOM 0 HB3 SER A 50 -5.351 -8.532 -6.608 1.00 1.23 H new ATOM 0 HG SER A 50 -3.317 -9.093 -7.206 1.00 33.00 H new ATOM 772 N VAL A 51 -2.715 -9.426 -4.719 1.00 24.44 N ATOM 773 CA VAL A 51 -1.587 -8.874 -3.914 1.00 5.14 C ATOM 774 C VAL A 51 -1.647 -7.339 -3.784 1.00 13.24 C ATOM 775 O VAL A 51 -1.543 -6.798 -2.692 1.00 73.33 O ATOM 776 CB VAL A 51 -0.213 -9.276 -4.558 1.00 51.04 C ATOM 777 CG1 VAL A 51 0.996 -8.667 -3.799 1.00 12.43 C ATOM 778 CG2 VAL A 51 -0.093 -10.812 -4.658 1.00 65.00 C ATOM 0 H VAL A 51 -2.413 -9.892 -5.574 1.00 24.44 H new ATOM 0 HA VAL A 51 -1.680 -9.300 -2.915 1.00 5.14 H new ATOM 0 HB VAL A 51 -0.191 -8.858 -5.565 1.00 51.04 H new ATOM 0 HG11 VAL A 51 1.922 -8.975 -4.284 1.00 12.43 H new ATOM 0 HG12 VAL A 51 0.924 -7.579 -3.812 1.00 12.43 H new ATOM 0 HG13 VAL A 51 0.992 -9.018 -2.767 1.00 12.43 H new ATOM 0 HG21 VAL A 51 0.865 -11.074 -5.107 1.00 65.00 H new ATOM 0 HG22 VAL A 51 -0.158 -11.248 -3.661 1.00 65.00 H new ATOM 0 HG23 VAL A 51 -0.902 -11.201 -5.277 1.00 65.00 H new ATOM 788 N ARG A 52 -1.843 -6.679 -4.925 1.00 21.55 N ATOM 789 CA ARG A 52 -1.887 -5.202 -5.060 1.00 0.41 C ATOM 790 C ARG A 52 -3.087 -4.604 -4.274 1.00 33.44 C ATOM 791 O ARG A 52 -2.998 -3.514 -3.691 1.00 24.41 O ATOM 792 CB ARG A 52 -1.937 -4.902 -6.591 1.00 1.55 C ATOM 793 CG ARG A 52 -1.863 -3.433 -7.072 1.00 74.31 C ATOM 794 CD ARG A 52 -3.200 -2.678 -6.985 1.00 32.23 C ATOM 795 NE ARG A 52 -4.335 -3.469 -7.507 1.00 60.45 N ATOM 796 CZ ARG A 52 -5.172 -3.089 -8.447 1.00 54.40 C ATOM 797 NH1 ARG A 52 -5.007 -1.972 -9.097 1.00 63.30 N ATOM 798 NH2 ARG A 52 -6.173 -3.844 -8.732 1.00 41.41 N ATOM 0 H ARG A 52 -1.981 -7.160 -5.814 1.00 21.55 H new ATOM 0 HA ARG A 52 -1.008 -4.727 -4.624 1.00 0.41 H new ATOM 0 HB2 ARG A 52 -1.115 -5.443 -7.059 1.00 1.55 H new ATOM 0 HB3 ARG A 52 -2.862 -5.329 -6.980 1.00 1.55 H new ATOM 0 HG2 ARG A 52 -1.119 -2.904 -6.477 1.00 74.31 H new ATOM 0 HG3 ARG A 52 -1.515 -3.417 -8.105 1.00 74.31 H new ATOM 0 HD2 ARG A 52 -3.395 -2.411 -5.946 1.00 32.23 H new ATOM 0 HD3 ARG A 52 -3.124 -1.746 -7.545 1.00 32.23 H new ATOM 0 HE ARG A 52 -4.482 -4.393 -7.101 1.00 60.45 H new ATOM 0 HH11 ARG A 52 -4.213 -1.369 -8.881 1.00 63.30 H new ATOM 0 HH12 ARG A 52 -5.671 -1.701 -9.822 1.00 63.30 H new ATOM 0 HH21 ARG A 52 -6.308 -4.722 -8.232 1.00 41.41 H new ATOM 0 HH22 ARG A 52 -6.832 -3.564 -9.459 1.00 41.41 H new ATOM 812 N ASP A 53 -4.203 -5.339 -4.273 1.00 45.41 N ATOM 813 CA ASP A 53 -5.421 -4.990 -3.514 1.00 41.44 C ATOM 814 C ASP A 53 -5.274 -5.321 -2.005 1.00 21.41 C ATOM 815 O ASP A 53 -5.980 -4.753 -1.167 1.00 3.31 O ATOM 816 CB ASP A 53 -6.628 -5.703 -4.148 1.00 54.02 C ATOM 817 CG ASP A 53 -6.813 -5.272 -5.616 1.00 4.31 C ATOM 818 OD1 ASP A 53 -6.223 -5.918 -6.518 1.00 44.33 O ATOM 819 OD2 ASP A 53 -7.498 -4.256 -5.861 1.00 4.02 O ATOM 0 H ASP A 53 -4.293 -6.205 -4.804 1.00 45.41 H new ATOM 0 HA ASP A 53 -5.580 -3.913 -3.569 1.00 41.44 H new ATOM 0 HB2 ASP A 53 -6.486 -6.782 -4.097 1.00 54.02 H new ATOM 0 HB3 ASP A 53 -7.530 -5.473 -3.581 1.00 54.02 H new ATOM 824 N PHE A 54 -4.372 -6.267 -1.673 1.00 41.12 N ATOM 825 CA PHE A 54 -3.954 -6.524 -0.272 1.00 2.13 C ATOM 826 C PHE A 54 -3.053 -5.372 0.253 1.00 24.33 C ATOM 827 O PHE A 54 -3.143 -4.997 1.422 1.00 63.24 O ATOM 828 CB PHE A 54 -3.230 -7.895 -0.163 1.00 45.45 C ATOM 829 CG PHE A 54 -2.746 -8.258 1.246 1.00 64.45 C ATOM 830 CD1 PHE A 54 -3.658 -8.489 2.276 1.00 44.01 C ATOM 831 CD2 PHE A 54 -1.382 -8.370 1.539 1.00 11.20 C ATOM 832 CE1 PHE A 54 -3.222 -8.819 3.543 1.00 41.21 C ATOM 833 CE2 PHE A 54 -0.953 -8.702 2.809 1.00 52.21 C ATOM 834 CZ PHE A 54 -1.875 -8.927 3.810 1.00 63.40 C ATOM 0 H PHE A 54 -3.915 -6.870 -2.357 1.00 41.12 H new ATOM 0 HA PHE A 54 -4.846 -6.562 0.353 1.00 2.13 H new ATOM 0 HB2 PHE A 54 -3.906 -8.676 -0.512 1.00 45.45 H new ATOM 0 HB3 PHE A 54 -2.373 -7.892 -0.836 1.00 45.45 H new ATOM 0 HD1 PHE A 54 -4.717 -8.409 2.080 1.00 44.01 H new ATOM 0 HD2 PHE A 54 -0.654 -8.194 0.761 1.00 11.20 H new ATOM 0 HE1 PHE A 54 -3.941 -8.994 4.330 1.00 41.21 H new ATOM 0 HE2 PHE A 54 0.103 -8.785 3.018 1.00 52.21 H new ATOM 0 HZ PHE A 54 -1.541 -9.188 4.803 1.00 63.40 H new ATOM 844 N VAL A 55 -2.200 -4.809 -0.638 1.00 42.02 N ATOM 845 CA VAL A 55 -1.347 -3.622 -0.329 1.00 72.22 C ATOM 846 C VAL A 55 -2.224 -2.421 0.087 1.00 31.42 C ATOM 847 O VAL A 55 -1.872 -1.657 0.997 1.00 15.54 O ATOM 848 CB VAL A 55 -0.460 -3.218 -1.565 1.00 64.42 C ATOM 849 CG1 VAL A 55 0.451 -2.006 -1.252 1.00 13.43 C ATOM 850 CG2 VAL A 55 0.377 -4.409 -2.065 1.00 44.43 C ATOM 0 H VAL A 55 -2.080 -5.159 -1.589 1.00 42.02 H new ATOM 0 HA VAL A 55 -0.690 -3.896 0.496 1.00 72.22 H new ATOM 0 HB VAL A 55 -1.143 -2.921 -2.361 1.00 64.42 H new ATOM 0 HG11 VAL A 55 1.046 -1.761 -2.132 1.00 13.43 H new ATOM 0 HG12 VAL A 55 -0.165 -1.149 -0.980 1.00 13.43 H new ATOM 0 HG13 VAL A 55 1.114 -2.254 -0.423 1.00 13.43 H new ATOM 0 HG21 VAL A 55 0.979 -4.098 -2.919 1.00 44.43 H new ATOM 0 HG22 VAL A 55 1.033 -4.754 -1.266 1.00 44.43 H new ATOM 0 HG23 VAL A 55 -0.287 -5.220 -2.365 1.00 44.43 H new ATOM 860 N ARG A 56 -3.375 -2.295 -0.601 1.00 31.30 N ATOM 861 CA ARG A 56 -4.445 -1.338 -0.255 1.00 74.31 C ATOM 862 C ARG A 56 -4.857 -1.494 1.229 1.00 15.32 C ATOM 863 O ARG A 56 -4.869 -0.525 1.978 1.00 23.33 O ATOM 864 CB ARG A 56 -5.671 -1.585 -1.174 1.00 10.44 C ATOM 865 CG ARG A 56 -6.808 -0.547 -1.063 1.00 23.54 C ATOM 866 CD ARG A 56 -8.127 -1.031 -1.718 1.00 1.13 C ATOM 867 NE ARG A 56 -7.959 -1.502 -3.117 1.00 63.31 N ATOM 868 CZ ARG A 56 -8.312 -0.838 -4.203 1.00 11.24 C ATOM 869 NH1 ARG A 56 -8.751 0.383 -4.134 1.00 71.43 N ATOM 870 NH2 ARG A 56 -8.193 -1.402 -5.361 1.00 53.15 N ATOM 0 H ARG A 56 -3.591 -2.861 -1.422 1.00 31.30 H new ATOM 0 HA ARG A 56 -4.075 -0.324 -0.403 1.00 74.31 H new ATOM 0 HB2 ARG A 56 -5.328 -1.612 -2.208 1.00 10.44 H new ATOM 0 HB3 ARG A 56 -6.079 -2.570 -0.948 1.00 10.44 H new ATOM 0 HG2 ARG A 56 -6.990 -0.325 -0.012 1.00 23.54 H new ATOM 0 HG3 ARG A 56 -6.493 0.383 -1.536 1.00 23.54 H new ATOM 0 HD2 ARG A 56 -8.545 -1.840 -1.119 1.00 1.13 H new ATOM 0 HD3 ARG A 56 -8.851 -0.216 -1.702 1.00 1.13 H new ATOM 0 HE ARG A 56 -7.533 -2.419 -3.251 1.00 63.31 H new ATOM 0 HH11 ARG A 56 -8.828 0.847 -3.229 1.00 71.43 H new ATOM 0 HH12 ARG A 56 -9.018 0.878 -4.985 1.00 71.43 H new ATOM 0 HH21 ARG A 56 -7.829 -2.352 -5.430 1.00 53.15 H new ATOM 0 HH22 ARG A 56 -8.463 -0.896 -6.205 1.00 53.15 H new ATOM 884 N ALA A 57 -5.142 -2.749 1.631 1.00 42.13 N ATOM 885 CA ALA A 57 -5.592 -3.091 3.000 1.00 22.01 C ATOM 886 C ALA A 57 -4.507 -2.835 4.085 1.00 53.40 C ATOM 887 O ALA A 57 -4.836 -2.443 5.206 1.00 41.13 O ATOM 888 CB ALA A 57 -6.052 -4.557 3.043 1.00 71.33 C ATOM 0 H ALA A 57 -5.067 -3.558 1.015 1.00 42.13 H new ATOM 0 HA ALA A 57 -6.425 -2.429 3.236 1.00 22.01 H new ATOM 0 HB1 ALA A 57 -6.382 -4.805 4.052 1.00 71.33 H new ATOM 0 HB2 ALA A 57 -6.877 -4.700 2.345 1.00 71.33 H new ATOM 0 HB3 ALA A 57 -5.223 -5.207 2.763 1.00 71.33 H new ATOM 894 N VAL A 58 -3.220 -3.081 3.750 1.00 71.23 N ATOM 895 CA VAL A 58 -2.089 -2.880 4.705 1.00 4.32 C ATOM 896 C VAL A 58 -1.779 -1.369 4.891 1.00 3.34 C ATOM 897 O VAL A 58 -1.372 -0.930 5.967 1.00 53.51 O ATOM 898 CB VAL A 58 -0.784 -3.657 4.256 1.00 65.41 C ATOM 899 CG1 VAL A 58 0.339 -3.575 5.330 1.00 44.10 C ATOM 900 CG2 VAL A 58 -1.101 -5.133 3.927 1.00 71.44 C ATOM 0 H VAL A 58 -2.932 -3.418 2.831 1.00 71.23 H new ATOM 0 HA VAL A 58 -2.406 -3.294 5.662 1.00 4.32 H new ATOM 0 HB VAL A 58 -0.419 -3.168 3.353 1.00 65.41 H new ATOM 0 HG11 VAL A 58 1.216 -4.121 4.982 1.00 44.10 H new ATOM 0 HG12 VAL A 58 0.605 -2.532 5.500 1.00 44.10 H new ATOM 0 HG13 VAL A 58 -0.016 -4.015 6.262 1.00 44.10 H new ATOM 0 HG21 VAL A 58 -0.187 -5.642 3.622 1.00 71.44 H new ATOM 0 HG22 VAL A 58 -1.511 -5.623 4.810 1.00 71.44 H new ATOM 0 HG23 VAL A 58 -1.829 -5.177 3.117 1.00 71.44 H new ATOM 910 N ALA A 59 -1.973 -0.584 3.821 1.00 64.13 N ATOM 911 CA ALA A 59 -1.860 0.891 3.878 1.00 0.21 C ATOM 912 C ALA A 59 -3.062 1.545 4.612 1.00 53.32 C ATOM 913 O ALA A 59 -2.905 2.559 5.298 1.00 62.43 O ATOM 914 CB ALA A 59 -1.718 1.452 2.462 1.00 64.30 C ATOM 0 H ALA A 59 -2.211 -0.944 2.897 1.00 64.13 H new ATOM 0 HA ALA A 59 -0.969 1.136 4.456 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -1.635 2.538 2.507 1.00 64.30 H new ATOM 0 HB2 ALA A 59 -0.824 1.039 1.995 1.00 64.30 H new ATOM 0 HB3 ALA A 59 -2.594 1.179 1.873 1.00 64.30 H new ATOM 920 N LEU A 60 -4.261 0.943 4.463 1.00 13.32 N ATOM 921 CA LEU A 60 -5.502 1.405 5.135 1.00 12.33 C ATOM 922 C LEU A 60 -5.653 0.800 6.551 1.00 41.22 C ATOM 923 O LEU A 60 -6.597 1.142 7.275 1.00 64.33 O ATOM 924 CB LEU A 60 -6.747 1.059 4.268 1.00 11.22 C ATOM 925 CG LEU A 60 -6.849 1.806 2.899 1.00 33.53 C ATOM 926 CD1 LEU A 60 -8.088 1.358 2.090 1.00 63.02 C ATOM 927 CD2 LEU A 60 -6.825 3.332 3.107 1.00 42.51 C ATOM 0 H LEU A 60 -4.400 0.122 3.874 1.00 13.32 H new ATOM 0 HA LEU A 60 -5.429 2.487 5.246 1.00 12.33 H new ATOM 0 HB2 LEU A 60 -6.746 -0.014 4.076 1.00 11.22 H new ATOM 0 HB3 LEU A 60 -7.643 1.278 4.848 1.00 11.22 H new ATOM 0 HG LEU A 60 -5.975 1.535 2.307 1.00 33.53 H new ATOM 0 HD11 LEU A 60 -8.122 1.901 1.146 1.00 63.02 H new ATOM 0 HD12 LEU A 60 -8.025 0.288 1.891 1.00 63.02 H new ATOM 0 HD13 LEU A 60 -8.992 1.569 2.662 1.00 63.02 H new ATOM 0 HD21 LEU A 60 -6.897 3.832 2.141 1.00 42.51 H new ATOM 0 HD22 LEU A 60 -7.668 3.627 3.732 1.00 42.51 H new ATOM 0 HD23 LEU A 60 -5.893 3.618 3.595 1.00 42.51 H new ATOM 939 N SER A 61 -4.725 -0.115 6.931 1.00 74.03 N ATOM 940 CA SER A 61 -4.729 -0.752 8.269 1.00 3.02 C ATOM 941 C SER A 61 -4.480 0.288 9.375 1.00 30.31 C ATOM 942 O SER A 61 -3.705 1.244 9.190 1.00 72.35 O ATOM 943 CB SER A 61 -3.667 -1.887 8.390 1.00 13.42 C ATOM 944 OG SER A 61 -2.348 -1.381 8.561 1.00 24.13 O ATOM 0 H SER A 61 -3.964 -0.427 6.327 1.00 74.03 H new ATOM 0 HA SER A 61 -5.718 -1.194 8.393 1.00 3.02 H new ATOM 0 HB2 SER A 61 -3.919 -2.528 9.235 1.00 13.42 H new ATOM 0 HB3 SER A 61 -3.701 -2.509 7.496 1.00 13.42 H new ATOM 0 HG SER A 61 -1.944 -1.219 7.683 1.00 24.13 H new ATOM 950 N GLU A 62 -5.115 0.070 10.531 1.00 20.34 N ATOM 951 CA GLU A 62 -4.963 0.942 11.707 1.00 11.34 C ATOM 952 C GLU A 62 -3.545 0.790 12.319 1.00 14.21 C ATOM 953 O GLU A 62 -3.041 1.721 12.937 1.00 25.15 O ATOM 954 CB GLU A 62 -6.077 0.635 12.745 1.00 30.42 C ATOM 955 CG GLU A 62 -6.055 -0.800 13.307 1.00 31.02 C ATOM 956 CD GLU A 62 -7.258 -1.122 14.206 1.00 21.23 C ATOM 957 OE1 GLU A 62 -7.209 -0.819 15.419 1.00 51.33 O ATOM 958 OE2 GLU A 62 -8.262 -1.670 13.700 1.00 31.23 O ATOM 0 H GLU A 62 -5.749 -0.715 10.681 1.00 20.34 H new ATOM 0 HA GLU A 62 -5.072 1.982 11.398 1.00 11.34 H new ATOM 0 HB2 GLU A 62 -5.986 1.337 13.574 1.00 30.42 H new ATOM 0 HB3 GLU A 62 -7.047 0.814 12.281 1.00 30.42 H new ATOM 0 HG2 GLU A 62 -6.031 -1.507 12.477 1.00 31.02 H new ATOM 0 HG3 GLU A 62 -5.137 -0.945 13.876 1.00 31.02 H new ATOM 965 N LEU A 63 -2.914 -0.393 12.102 1.00 25.24 N ATOM 966 CA LEU A 63 -1.542 -0.708 12.583 1.00 30.20 C ATOM 967 C LEU A 63 -0.481 0.213 11.926 1.00 23.51 C ATOM 968 O LEU A 63 0.389 0.761 12.606 1.00 2.45 O ATOM 969 CB LEU A 63 -1.186 -2.204 12.303 1.00 44.42 C ATOM 970 CG LEU A 63 -1.944 -3.296 13.131 1.00 71.01 C ATOM 971 CD1 LEU A 63 -1.790 -3.066 14.647 1.00 74.42 C ATOM 972 CD2 LEU A 63 -3.430 -3.426 12.713 1.00 24.41 C ATOM 0 H LEU A 63 -3.345 -1.160 11.586 1.00 25.24 H new ATOM 0 HA LEU A 63 -1.530 -0.532 13.659 1.00 30.20 H new ATOM 0 HB2 LEU A 63 -1.365 -2.400 11.246 1.00 44.42 H new ATOM 0 HB3 LEU A 63 -0.117 -2.333 12.475 1.00 44.42 H new ATOM 0 HG LEU A 63 -1.474 -4.252 12.899 1.00 71.01 H new ATOM 0 HD11 LEU A 63 -2.329 -3.843 15.189 1.00 74.42 H new ATOM 0 HD12 LEU A 63 -0.734 -3.102 14.915 1.00 74.42 H new ATOM 0 HD13 LEU A 63 -2.198 -2.090 14.910 1.00 74.42 H new ATOM 0 HD21 LEU A 63 -3.912 -4.196 13.316 1.00 24.41 H new ATOM 0 HD22 LEU A 63 -3.936 -2.473 12.869 1.00 24.41 H new ATOM 0 HD23 LEU A 63 -3.489 -3.701 11.660 1.00 24.41 H new ATOM 984 N TYR A 64 -0.562 0.362 10.590 1.00 41.32 N ATOM 985 CA TYR A 64 0.338 1.256 9.821 1.00 11.33 C ATOM 986 C TYR A 64 0.071 2.749 10.151 1.00 54.55 C ATOM 987 O TYR A 64 1.012 3.530 10.354 1.00 33.12 O ATOM 988 CB TYR A 64 0.176 0.989 8.294 1.00 3.33 C ATOM 989 CG TYR A 64 0.927 1.970 7.361 1.00 63.21 C ATOM 990 CD1 TYR A 64 2.316 2.111 7.425 1.00 10.14 C ATOM 991 CD2 TYR A 64 0.243 2.760 6.424 1.00 70.12 C ATOM 992 CE1 TYR A 64 2.988 2.999 6.599 1.00 3.32 C ATOM 993 CE2 TYR A 64 0.915 3.642 5.595 1.00 72.05 C ATOM 994 CZ TYR A 64 2.287 3.758 5.686 1.00 11.12 C ATOM 995 OH TYR A 64 2.957 4.643 4.861 1.00 14.41 O ATOM 0 H TYR A 64 -1.246 -0.128 10.013 1.00 41.32 H new ATOM 0 HA TYR A 64 1.366 1.037 10.111 1.00 11.33 H new ATOM 0 HB2 TYR A 64 0.521 -0.023 8.081 1.00 3.33 H new ATOM 0 HB3 TYR A 64 -0.885 1.022 8.048 1.00 3.33 H new ATOM 0 HD1 TYR A 64 2.877 1.517 8.131 1.00 10.14 H new ATOM 0 HD2 TYR A 64 -0.831 2.678 6.348 1.00 70.12 H new ATOM 0 HE1 TYR A 64 4.061 3.096 6.671 1.00 3.32 H new ATOM 0 HE2 TYR A 64 0.367 4.237 4.879 1.00 72.05 H new ATOM 0 HH TYR A 64 3.801 4.241 4.567 1.00 14.41 H new ATOM 1005 N ARG A 65 -1.215 3.122 10.221 1.00 55.11 N ATOM 1006 CA ARG A 65 -1.632 4.529 10.379 1.00 21.42 C ATOM 1007 C ARG A 65 -1.316 5.077 11.803 1.00 64.53 C ATOM 1008 O ARG A 65 -0.932 6.236 11.949 1.00 44.15 O ATOM 1009 CB ARG A 65 -3.136 4.674 10.034 1.00 31.32 C ATOM 1010 CG ARG A 65 -3.612 6.136 9.848 1.00 22.31 C ATOM 1011 CD ARG A 65 -5.086 6.230 9.421 1.00 60.43 C ATOM 1012 NE ARG A 65 -5.525 7.628 9.214 1.00 3.24 N ATOM 1013 CZ ARG A 65 -6.752 8.073 9.397 1.00 23.44 C ATOM 1014 NH1 ARG A 65 -7.684 7.301 9.865 1.00 23.04 N ATOM 1015 NH2 ARG A 65 -7.034 9.297 9.116 1.00 64.41 N ATOM 0 H ARG A 65 -1.993 2.464 10.170 1.00 55.11 H new ATOM 0 HA ARG A 65 -1.053 5.135 9.682 1.00 21.42 H new ATOM 0 HB2 ARG A 65 -3.341 4.119 9.119 1.00 31.32 H new ATOM 0 HB3 ARG A 65 -3.724 4.211 10.826 1.00 31.32 H new ATOM 0 HG2 ARG A 65 -3.473 6.681 10.782 1.00 22.31 H new ATOM 0 HG3 ARG A 65 -2.989 6.624 9.099 1.00 22.31 H new ATOM 0 HD2 ARG A 65 -5.231 5.666 8.500 1.00 60.43 H new ATOM 0 HD3 ARG A 65 -5.712 5.764 10.182 1.00 60.43 H new ATOM 0 HE ARG A 65 -4.823 8.300 8.905 1.00 3.24 H new ATOM 0 HH11 ARG A 65 -7.473 6.331 10.098 1.00 23.04 H new ATOM 0 HH12 ARG A 65 -8.628 7.664 9.999 1.00 23.04 H new ATOM 0 HH21 ARG A 65 -6.310 9.917 8.754 1.00 64.41 H new ATOM 0 HH22 ARG A 65 -7.982 9.647 9.256 1.00 64.41 H new ATOM 1029 N GLU A 66 -1.450 4.245 12.848 1.00 31.20 N ATOM 1030 CA GLU A 66 -1.095 4.655 14.235 1.00 11.34 C ATOM 1031 C GLU A 66 0.441 4.815 14.397 1.00 33.34 C ATOM 1032 O GLU A 66 0.920 5.689 15.121 1.00 12.35 O ATOM 1033 CB GLU A 66 -1.638 3.633 15.277 1.00 2.33 C ATOM 1034 CG GLU A 66 -0.950 2.255 15.233 1.00 44.14 C ATOM 1035 CD GLU A 66 -1.560 1.233 16.196 1.00 21.20 C ATOM 1036 OE1 GLU A 66 -2.503 0.519 15.804 1.00 11.55 O ATOM 1037 OE2 GLU A 66 -1.101 1.140 17.354 1.00 60.12 O ATOM 0 H GLU A 66 -1.798 3.289 12.770 1.00 31.20 H new ATOM 0 HA GLU A 66 -1.564 5.622 14.419 1.00 11.34 H new ATOM 0 HB2 GLU A 66 -1.520 4.053 16.276 1.00 2.33 H new ATOM 0 HB3 GLU A 66 -2.707 3.498 15.112 1.00 2.33 H new ATOM 0 HG2 GLU A 66 -1.006 1.863 14.218 1.00 44.14 H new ATOM 0 HG3 GLU A 66 0.107 2.378 15.469 1.00 44.14 H new ATOM 1044 N LYS A 67 1.197 3.965 13.692 1.00 60.42 N ATOM 1045 CA LYS A 67 2.656 3.849 13.852 1.00 24.33 C ATOM 1046 C LYS A 67 3.425 4.939 13.051 1.00 2.14 C ATOM 1047 O LYS A 67 4.495 5.390 13.466 1.00 5.25 O ATOM 1048 CB LYS A 67 3.080 2.420 13.409 1.00 72.03 C ATOM 1049 CG LYS A 67 4.447 1.958 13.933 1.00 5.34 C ATOM 1050 CD LYS A 67 4.821 0.531 13.471 1.00 71.32 C ATOM 1051 CE LYS A 67 6.082 -0.001 14.175 1.00 34.54 C ATOM 1052 NZ LYS A 67 7.227 0.949 14.079 1.00 25.23 N ATOM 0 H LYS A 67 0.813 3.333 12.989 1.00 60.42 H new ATOM 0 HA LYS A 67 2.914 4.010 14.899 1.00 24.33 H new ATOM 0 HB2 LYS A 67 2.321 1.712 13.743 1.00 72.03 H new ATOM 0 HB3 LYS A 67 3.093 2.382 12.320 1.00 72.03 H new ATOM 0 HG2 LYS A 67 5.214 2.656 13.596 1.00 5.34 H new ATOM 0 HG3 LYS A 67 4.442 1.992 15.022 1.00 5.34 H new ATOM 0 HD2 LYS A 67 3.987 -0.142 13.668 1.00 71.32 H new ATOM 0 HD3 LYS A 67 4.983 0.531 12.393 1.00 71.32 H new ATOM 0 HE2 LYS A 67 5.857 -0.190 15.225 1.00 34.54 H new ATOM 0 HE3 LYS A 67 6.367 -0.956 13.733 1.00 34.54 H new ATOM 0 HZ1 LYS A 67 8.087 0.494 14.446 1.00 25.23 H new ATOM 0 HZ2 LYS A 67 7.374 1.216 13.085 1.00 25.23 H new ATOM 0 HZ3 LYS A 67 7.020 1.800 14.639 1.00 25.23 H new ATOM 1066 N PHE A 68 2.886 5.318 11.873 1.00 33.41 N ATOM 1067 CA PHE A 68 3.542 6.298 10.955 1.00 31.51 C ATOM 1068 C PHE A 68 2.804 7.658 10.817 1.00 43.03 C ATOM 1069 O PHE A 68 3.432 8.648 10.452 1.00 33.23 O ATOM 1070 CB PHE A 68 3.768 5.634 9.569 1.00 71.20 C ATOM 1071 CG PHE A 68 4.795 4.501 9.610 1.00 12.35 C ATOM 1072 CD1 PHE A 68 4.433 3.217 10.011 1.00 41.45 C ATOM 1073 CD2 PHE A 68 6.130 4.731 9.278 1.00 4.21 C ATOM 1074 CE1 PHE A 68 5.364 2.206 10.084 1.00 14.22 C ATOM 1075 CE2 PHE A 68 7.060 3.713 9.347 1.00 33.13 C ATOM 1076 CZ PHE A 68 6.675 2.451 9.750 1.00 60.03 C ATOM 0 H PHE A 68 1.995 4.963 11.526 1.00 33.41 H new ATOM 0 HA PHE A 68 4.498 6.556 11.411 1.00 31.51 H new ATOM 0 HB2 PHE A 68 2.819 5.244 9.200 1.00 71.20 H new ATOM 0 HB3 PHE A 68 4.099 6.392 8.859 1.00 71.20 H new ATOM 0 HD1 PHE A 68 3.405 3.011 10.269 1.00 41.45 H new ATOM 0 HD2 PHE A 68 6.440 5.717 8.963 1.00 4.21 H new ATOM 0 HE1 PHE A 68 5.064 1.219 10.404 1.00 14.22 H new ATOM 0 HE2 PHE A 68 8.090 3.905 9.085 1.00 33.13 H new ATOM 0 HZ PHE A 68 7.403 1.655 9.803 1.00 60.03 H new ATOM 1086 N PHE A 69 1.476 7.722 11.041 1.00 51.33 N ATOM 1087 CA PHE A 69 0.752 9.032 11.046 1.00 42.13 C ATOM 1088 C PHE A 69 0.732 9.676 12.460 1.00 31.31 C ATOM 1089 O PHE A 69 0.888 10.894 12.589 1.00 45.03 O ATOM 1090 CB PHE A 69 -0.690 8.898 10.468 1.00 25.14 C ATOM 1091 CG PHE A 69 -1.514 10.195 10.527 1.00 31.23 C ATOM 1092 CD1 PHE A 69 -1.218 11.272 9.694 1.00 13.04 C ATOM 1093 CD2 PHE A 69 -2.563 10.349 11.442 1.00 0.33 C ATOM 1094 CE1 PHE A 69 -1.937 12.450 9.777 1.00 21.02 C ATOM 1095 CE2 PHE A 69 -3.281 11.526 11.519 1.00 11.54 C ATOM 1096 CZ PHE A 69 -2.966 12.578 10.688 1.00 43.43 C ATOM 0 H PHE A 69 0.885 6.910 11.218 1.00 51.33 H new ATOM 0 HA PHE A 69 1.308 9.702 10.390 1.00 42.13 H new ATOM 0 HB2 PHE A 69 -0.625 8.569 9.431 1.00 25.14 H new ATOM 0 HB3 PHE A 69 -1.219 8.119 11.017 1.00 25.14 H new ATOM 0 HD1 PHE A 69 -0.417 11.186 8.975 1.00 13.04 H new ATOM 0 HD2 PHE A 69 -2.815 9.531 12.100 1.00 0.33 H new ATOM 0 HE1 PHE A 69 -1.692 13.275 9.125 1.00 21.02 H new ATOM 0 HE2 PHE A 69 -4.088 11.621 12.230 1.00 11.54 H new ATOM 0 HZ PHE A 69 -3.523 13.501 10.749 1.00 43.43 H new ATOM 1106 N HIS A 70 0.518 8.868 13.519 1.00 1.42 N ATOM 1107 CA HIS A 70 0.393 9.405 14.909 1.00 2.34 C ATOM 1108 C HIS A 70 1.782 9.678 15.545 1.00 21.23 C ATOM 1109 O HIS A 70 1.947 10.649 16.289 1.00 22.43 O ATOM 1110 CB HIS A 70 -0.410 8.437 15.822 1.00 52.14 C ATOM 1111 CG HIS A 70 -1.833 8.156 15.406 1.00 1.35 C ATOM 1112 ND1 HIS A 70 -2.451 8.195 14.199 1.00 30.13 N flip ATOM 1113 CD2 HIS A 70 -2.787 7.730 16.295 1.00 41.34 C flip ATOM 1114 CE1 HIS A 70 -3.746 7.793 14.391 1.00 44.40 C flip ATOM 1115 NE2 HIS A 70 -3.922 7.519 15.665 1.00 71.10 N flip ATOM 0 H HIS A 70 0.428 7.854 13.451 1.00 1.42 H new ATOM 0 HA HIS A 70 -0.148 10.348 14.830 1.00 2.34 H new ATOM 0 HB2 HIS A 70 0.126 7.489 15.872 1.00 52.14 H new ATOM 0 HB3 HIS A 70 -0.423 8.849 16.831 1.00 52.14 H new ATOM 0 HD2 HIS A 70 -2.630 7.589 17.354 1.00 41.34 H new ATOM 0 HE1 HIS A 70 -4.500 7.714 13.622 1.00 44.40 H new ATOM 0 HE2 HIS A 70 -4.791 7.198 16.092 1.00 71.10 H new ATOM 1124 N ASN A 71 2.770 8.811 15.241 1.00 2.55 N ATOM 1125 CA ASN A 71 4.144 8.893 15.821 1.00 43.21 C ATOM 1126 C ASN A 71 5.050 9.857 14.996 1.00 53.25 C ATOM 1127 O ASN A 71 6.002 10.442 15.522 1.00 45.34 O ATOM 1128 CB ASN A 71 4.754 7.456 15.864 1.00 41.11 C ATOM 1129 CG ASN A 71 5.988 7.280 16.764 1.00 15.33 C ATOM 1130 OD1 ASN A 71 6.746 8.206 17.027 1.00 23.24 O ATOM 1131 ND2 ASN A 71 6.213 6.061 17.230 1.00 71.12 N ATOM 0 H ASN A 71 2.648 8.035 14.591 1.00 2.55 H new ATOM 0 HA ASN A 71 4.085 9.298 16.831 1.00 43.21 H new ATOM 0 HB2 ASN A 71 3.982 6.764 16.199 1.00 41.11 H new ATOM 0 HB3 ASN A 71 5.024 7.166 14.849 1.00 41.11 H new ATOM 0 HD21 ASN A 71 7.027 5.882 17.817 1.00 71.12 H new ATOM 0 HD22 ASN A 71 5.572 5.301 17.001 1.00 71.12 H new ATOM 1138 N ASN A 72 4.704 10.045 13.711 1.00 53.50 N ATOM 1139 CA ASN A 72 5.537 10.784 12.730 1.00 31.42 C ATOM 1140 C ASN A 72 4.692 11.917 12.082 1.00 0.35 C ATOM 1141 O ASN A 72 3.462 11.832 12.047 1.00 1.33 O ATOM 1142 CB ASN A 72 6.064 9.781 11.658 1.00 31.35 C ATOM 1143 CG ASN A 72 7.290 10.242 10.865 1.00 14.51 C ATOM 1144 OD1 ASN A 72 7.573 11.426 10.732 1.00 62.14 O ATOM 1145 ND2 ASN A 72 8.015 9.294 10.305 1.00 54.35 N ATOM 0 H ASN A 72 3.834 9.689 13.315 1.00 53.50 H new ATOM 0 HA ASN A 72 6.393 11.244 13.224 1.00 31.42 H new ATOM 0 HB2 ASN A 72 6.307 8.841 12.154 1.00 31.35 H new ATOM 0 HB3 ASN A 72 5.257 9.571 10.956 1.00 31.35 H new ATOM 0 HD21 ASN A 72 8.832 9.540 9.746 1.00 54.35 H new ATOM 0 HD22 ASN A 72 7.759 8.315 10.431 1.00 54.35 H new ATOM 1152 N ALA A 73 5.368 12.967 11.573 1.00 53.31 N ATOM 1153 CA ALA A 73 4.710 14.151 10.960 1.00 13.44 C ATOM 1154 C ALA A 73 4.024 13.784 9.623 1.00 0.11 C ATOM 1155 O ALA A 73 4.585 13.025 8.845 1.00 53.24 O ATOM 1156 CB ALA A 73 5.746 15.270 10.748 1.00 23.53 C ATOM 0 H ALA A 73 6.386 13.023 11.573 1.00 53.31 H new ATOM 0 HA ALA A 73 3.935 14.505 11.640 1.00 13.44 H new ATOM 0 HB1 ALA A 73 5.260 16.136 10.299 1.00 23.53 H new ATOM 0 HB2 ALA A 73 6.177 15.554 11.708 1.00 23.53 H new ATOM 0 HB3 ALA A 73 6.536 14.914 10.087 1.00 23.53 H new ATOM 1162 N HIS A 74 2.804 14.323 9.382 1.00 41.15 N ATOM 1163 CA HIS A 74 1.981 14.011 8.176 1.00 0.13 C ATOM 1164 C HIS A 74 2.729 14.324 6.857 1.00 71.50 C ATOM 1165 O HIS A 74 2.615 13.574 5.894 1.00 44.34 O ATOM 1166 CB HIS A 74 0.631 14.771 8.231 1.00 21.23 C ATOM 1167 CG HIS A 74 -0.317 14.490 7.075 1.00 24.25 C ATOM 1168 ND1 HIS A 74 -0.996 15.507 6.447 1.00 70.34 N ATOM 1169 CD2 HIS A 74 -0.677 13.308 6.501 1.00 33.11 C ATOM 1170 CE1 HIS A 74 -1.738 14.936 5.521 1.00 54.02 C ATOM 1171 NE2 HIS A 74 -1.579 13.605 5.514 1.00 41.43 N ATOM 0 H HIS A 74 2.358 14.987 10.015 1.00 41.15 H new ATOM 0 HA HIS A 74 1.786 12.939 8.186 1.00 0.13 H new ATOM 0 HB2 HIS A 74 0.127 14.517 9.163 1.00 21.23 H new ATOM 0 HB3 HIS A 74 0.836 15.841 8.260 1.00 21.23 H new ATOM 0 HD2 HIS A 74 -0.320 12.326 6.772 1.00 33.11 H new ATOM 0 HE1 HIS A 74 -2.393 15.473 4.851 1.00 54.02 H new ATOM 0 HE2 HIS A 74 -2.041 12.941 4.893 1.00 41.43 H new ATOM 1179 N ASN A 75 3.500 15.426 6.840 1.00 65.54 N ATOM 1180 CA ASN A 75 4.395 15.778 5.705 1.00 44.34 C ATOM 1181 C ASN A 75 5.363 14.606 5.377 1.00 51.34 C ATOM 1182 O ASN A 75 5.483 14.186 4.220 1.00 73.14 O ATOM 1183 CB ASN A 75 5.183 17.067 6.048 1.00 52.34 C ATOM 1184 CG ASN A 75 6.152 17.510 4.942 1.00 62.43 C ATOM 1185 OD1 ASN A 75 7.327 17.153 4.945 1.00 31.23 O ATOM 1186 ND2 ASN A 75 5.664 18.276 3.978 1.00 54.10 N ATOM 0 H ASN A 75 3.526 16.100 7.605 1.00 65.54 H new ATOM 0 HA ASN A 75 3.788 15.959 4.818 1.00 44.34 H new ATOM 0 HB2 ASN A 75 4.476 17.873 6.244 1.00 52.34 H new ATOM 0 HB3 ASN A 75 5.745 16.905 6.968 1.00 52.34 H new ATOM 0 HD21 ASN A 75 6.268 18.583 3.215 1.00 54.10 H new ATOM 0 HD22 ASN A 75 4.684 18.559 3.998 1.00 54.10 H new ATOM 1193 N ARG A 76 6.006 14.068 6.431 1.00 74.53 N ATOM 1194 CA ARG A 76 6.927 12.917 6.327 1.00 41.05 C ATOM 1195 C ARG A 76 6.166 11.609 5.984 1.00 63.13 C ATOM 1196 O ARG A 76 6.676 10.777 5.249 1.00 10.25 O ATOM 1197 CB ARG A 76 7.717 12.745 7.655 1.00 21.52 C ATOM 1198 CG ARG A 76 8.559 13.978 8.061 1.00 3.43 C ATOM 1199 CD ARG A 76 9.642 14.303 7.018 1.00 11.22 C ATOM 1200 NE ARG A 76 10.382 15.552 7.298 1.00 21.24 N ATOM 1201 CZ ARG A 76 10.819 16.398 6.378 1.00 55.51 C ATOM 1202 NH1 ARG A 76 10.525 16.243 5.121 1.00 2.32 N ATOM 1203 NH2 ARG A 76 11.534 17.415 6.734 1.00 22.14 N ATOM 0 H ARG A 76 5.902 14.420 7.383 1.00 74.53 H new ATOM 0 HA ARG A 76 7.626 13.119 5.515 1.00 41.05 H new ATOM 0 HB2 ARG A 76 7.013 12.521 8.456 1.00 21.52 H new ATOM 0 HB3 ARG A 76 8.378 11.883 7.562 1.00 21.52 H new ATOM 0 HG2 ARG A 76 7.904 14.840 8.184 1.00 3.43 H new ATOM 0 HG3 ARG A 76 9.029 13.794 9.027 1.00 3.43 H new ATOM 0 HD2 ARG A 76 10.349 13.475 6.972 1.00 11.22 H new ATOM 0 HD3 ARG A 76 9.176 14.380 6.036 1.00 11.22 H new ATOM 0 HE ARG A 76 10.570 15.779 8.274 1.00 21.24 H new ATOM 0 HH11 ARG A 76 9.946 15.457 4.826 1.00 2.32 H new ATOM 0 HH12 ARG A 76 10.873 16.908 4.430 1.00 2.32 H new ATOM 0 HH21 ARG A 76 11.758 17.561 7.718 1.00 22.14 H new ATOM 0 HH22 ARG A 76 11.874 18.071 6.031 1.00 22.14 H new ATOM 1217 N PHE A 77 4.931 11.474 6.509 1.00 5.32 N ATOM 1218 CA PHE A 77 4.043 10.305 6.279 1.00 2.31 C ATOM 1219 C PHE A 77 3.612 10.206 4.794 1.00 72.12 C ATOM 1220 O PHE A 77 3.453 9.107 4.267 1.00 24.22 O ATOM 1221 CB PHE A 77 2.798 10.401 7.212 1.00 64.11 C ATOM 1222 CG PHE A 77 1.731 9.313 7.007 1.00 1.20 C ATOM 1223 CD1 PHE A 77 1.998 7.982 7.320 1.00 50.05 C ATOM 1224 CD2 PHE A 77 0.463 9.626 6.501 1.00 62.20 C ATOM 1225 CE1 PHE A 77 1.039 7.001 7.141 1.00 2.31 C ATOM 1226 CE2 PHE A 77 -0.495 8.643 6.320 1.00 14.54 C ATOM 1227 CZ PHE A 77 -0.206 7.331 6.641 1.00 62.14 C ATOM 0 H PHE A 77 4.512 12.181 7.114 1.00 5.32 H new ATOM 0 HA PHE A 77 4.598 9.397 6.516 1.00 2.31 H new ATOM 0 HB2 PHE A 77 3.138 10.362 8.247 1.00 64.11 H new ATOM 0 HB3 PHE A 77 2.331 11.375 7.067 1.00 64.11 H new ATOM 0 HD1 PHE A 77 2.969 7.712 7.708 1.00 50.05 H new ATOM 0 HD2 PHE A 77 0.229 10.650 6.248 1.00 62.20 H new ATOM 0 HE1 PHE A 77 1.264 5.975 7.393 1.00 2.31 H new ATOM 0 HE2 PHE A 77 -1.468 8.902 5.928 1.00 14.54 H new ATOM 0 HZ PHE A 77 -0.953 6.563 6.501 1.00 62.14 H new ATOM 1237 N ILE A 78 3.423 11.369 4.140 1.00 44.32 N ATOM 1238 CA ILE A 78 3.110 11.453 2.692 1.00 10.11 C ATOM 1239 C ILE A 78 4.329 11.016 1.849 1.00 60.13 C ATOM 1240 O ILE A 78 4.185 10.251 0.886 1.00 22.32 O ATOM 1241 CB ILE A 78 2.660 12.914 2.296 1.00 40.41 C ATOM 1242 CG1 ILE A 78 1.336 13.300 3.033 1.00 60.41 C ATOM 1243 CG2 ILE A 78 2.498 13.083 0.761 1.00 21.13 C ATOM 1244 CD1 ILE A 78 0.912 14.750 2.864 1.00 45.04 C ATOM 0 H ILE A 78 3.482 12.279 4.597 1.00 44.32 H new ATOM 0 HA ILE A 78 2.282 10.775 2.484 1.00 10.11 H new ATOM 0 HB ILE A 78 3.453 13.592 2.613 1.00 40.41 H new ATOM 0 HG12 ILE A 78 0.534 12.657 2.670 1.00 60.41 H new ATOM 0 HG13 ILE A 78 1.455 13.092 4.096 1.00 60.41 H new ATOM 0 HG21 ILE A 78 2.188 14.104 0.538 1.00 21.13 H new ATOM 0 HG22 ILE A 78 3.449 12.878 0.270 1.00 21.13 H new ATOM 0 HG23 ILE A 78 1.743 12.386 0.396 1.00 21.13 H new ATOM 0 HD11 ILE A 78 -0.015 14.924 3.410 1.00 45.04 H new ATOM 0 HD12 ILE A 78 1.691 15.405 3.255 1.00 45.04 H new ATOM 0 HD13 ILE A 78 0.756 14.963 1.806 1.00 45.04 H new ATOM 1256 N GLU A 79 5.531 11.489 2.247 1.00 51.45 N ATOM 1257 CA GLU A 79 6.806 11.091 1.608 1.00 32.11 C ATOM 1258 C GLU A 79 7.027 9.567 1.701 1.00 22.54 C ATOM 1259 O GLU A 79 7.439 8.917 0.729 1.00 14.22 O ATOM 1260 CB GLU A 79 8.005 11.848 2.239 1.00 31.45 C ATOM 1261 CG GLU A 79 7.916 13.387 2.145 1.00 41.22 C ATOM 1262 CD GLU A 79 9.146 14.103 2.727 1.00 64.22 C ATOM 1263 OE1 GLU A 79 9.538 13.778 3.861 1.00 63.41 O ATOM 1264 OE2 GLU A 79 9.737 14.973 2.050 1.00 42.21 O ATOM 0 H GLU A 79 5.645 12.152 3.014 1.00 51.45 H new ATOM 0 HA GLU A 79 6.742 11.362 0.554 1.00 32.11 H new ATOM 0 HB2 GLU A 79 8.084 11.565 3.289 1.00 31.45 H new ATOM 0 HB3 GLU A 79 8.922 11.520 1.750 1.00 31.45 H new ATOM 0 HG2 GLU A 79 7.797 13.674 1.100 1.00 41.22 H new ATOM 0 HG3 GLU A 79 7.024 13.725 2.672 1.00 41.22 H new ATOM 1271 N LEU A 80 6.706 9.022 2.881 1.00 3.15 N ATOM 1272 CA LEU A 80 6.725 7.578 3.145 1.00 73.24 C ATOM 1273 C LEU A 80 5.660 6.840 2.298 1.00 34.11 C ATOM 1274 O LEU A 80 5.955 5.814 1.705 1.00 64.21 O ATOM 1275 CB LEU A 80 6.506 7.323 4.659 1.00 65.30 C ATOM 1276 CG LEU A 80 7.651 7.818 5.601 1.00 11.52 C ATOM 1277 CD1 LEU A 80 7.264 7.683 7.089 1.00 73.53 C ATOM 1278 CD2 LEU A 80 8.985 7.099 5.286 1.00 22.01 C ATOM 0 H LEU A 80 6.423 9.578 3.688 1.00 3.15 H new ATOM 0 HA LEU A 80 7.699 7.182 2.857 1.00 73.24 H new ATOM 0 HB2 LEU A 80 5.577 7.808 4.960 1.00 65.30 H new ATOM 0 HB3 LEU A 80 6.371 6.252 4.813 1.00 65.30 H new ATOM 0 HG LEU A 80 7.799 8.880 5.408 1.00 11.52 H new ATOM 0 HD11 LEU A 80 8.085 8.037 7.712 1.00 73.53 H new ATOM 0 HD12 LEU A 80 6.374 8.279 7.289 1.00 73.53 H new ATOM 0 HD13 LEU A 80 7.059 6.637 7.318 1.00 73.53 H new ATOM 0 HD21 LEU A 80 9.762 7.464 5.957 1.00 22.01 H new ATOM 0 HD22 LEU A 80 8.861 6.025 5.425 1.00 22.01 H new ATOM 0 HD23 LEU A 80 9.272 7.301 4.254 1.00 22.01 H new ATOM 1290 N ASN A 81 4.447 7.417 2.206 1.00 51.04 N ATOM 1291 CA ASN A 81 3.285 6.778 1.535 1.00 14.43 C ATOM 1292 C ASN A 81 3.557 6.550 0.016 1.00 64.22 C ATOM 1293 O ASN A 81 3.174 5.521 -0.544 1.00 73.42 O ATOM 1294 CB ASN A 81 2.010 7.653 1.746 1.00 24.11 C ATOM 1295 CG ASN A 81 0.694 6.880 1.603 1.00 44.15 C ATOM 1296 OD1 ASN A 81 0.625 5.691 1.883 1.00 62.14 O ATOM 1297 ND2 ASN A 81 -0.365 7.553 1.188 1.00 24.44 N ATOM 0 H ASN A 81 4.239 8.338 2.592 1.00 51.04 H new ATOM 0 HA ASN A 81 3.123 5.798 1.984 1.00 14.43 H new ATOM 0 HB2 ASN A 81 2.050 8.102 2.738 1.00 24.11 H new ATOM 0 HB3 ASN A 81 2.019 8.471 1.025 1.00 24.11 H new ATOM 0 HD21 ASN A 81 -1.265 7.082 1.095 1.00 24.44 H new ATOM 0 HD22 ASN A 81 -0.283 8.544 0.960 1.00 24.44 H new ATOM 1304 N PHE A 82 4.240 7.527 -0.631 1.00 25.22 N ATOM 1305 CA PHE A 82 4.684 7.413 -2.048 1.00 11.02 C ATOM 1306 C PHE A 82 5.726 6.289 -2.240 1.00 32.42 C ATOM 1307 O PHE A 82 5.600 5.475 -3.147 1.00 73.15 O ATOM 1308 CB PHE A 82 5.279 8.748 -2.571 1.00 73.31 C ATOM 1309 CG PHE A 82 4.254 9.834 -2.876 1.00 40.53 C ATOM 1310 CD1 PHE A 82 3.320 9.664 -3.890 1.00 24.25 C ATOM 1311 CD2 PHE A 82 4.248 11.030 -2.180 1.00 14.01 C ATOM 1312 CE1 PHE A 82 2.413 10.655 -4.189 1.00 31.44 C ATOM 1313 CE2 PHE A 82 3.346 12.019 -2.481 1.00 15.10 C ATOM 1314 CZ PHE A 82 2.430 11.833 -3.482 1.00 24.32 C ATOM 0 H PHE A 82 4.498 8.411 -0.192 1.00 25.22 H new ATOM 0 HA PHE A 82 3.792 7.168 -2.624 1.00 11.02 H new ATOM 0 HB2 PHE A 82 5.982 9.130 -1.830 1.00 73.31 H new ATOM 0 HB3 PHE A 82 5.850 8.544 -3.477 1.00 73.31 H new ATOM 0 HD1 PHE A 82 3.305 8.742 -4.451 1.00 24.25 H new ATOM 0 HD2 PHE A 82 4.965 11.187 -1.387 1.00 14.01 H new ATOM 0 HE1 PHE A 82 1.690 10.507 -4.977 1.00 31.44 H new ATOM 0 HE2 PHE A 82 3.358 12.946 -1.927 1.00 15.10 H new ATOM 0 HZ PHE A 82 1.720 12.613 -3.716 1.00 24.32 H new ATOM 1324 N LYS A 83 6.775 6.275 -1.400 1.00 53.13 N ATOM 1325 CA LYS A 83 7.880 5.291 -1.531 1.00 44.33 C ATOM 1326 C LYS A 83 7.464 3.864 -1.101 1.00 25.54 C ATOM 1327 O LYS A 83 8.108 2.889 -1.486 1.00 24.43 O ATOM 1328 CB LYS A 83 9.157 5.780 -0.805 1.00 41.21 C ATOM 1329 CG LYS A 83 9.047 5.961 0.723 1.00 14.30 C ATOM 1330 CD LYS A 83 10.322 6.596 1.343 1.00 63.42 C ATOM 1331 CE LYS A 83 10.642 7.997 0.755 1.00 53.11 C ATOM 1332 NZ LYS A 83 11.842 8.619 1.368 1.00 43.21 N ATOM 0 H LYS A 83 6.887 6.928 -0.624 1.00 53.13 H new ATOM 0 HA LYS A 83 8.119 5.220 -2.592 1.00 44.33 H new ATOM 0 HB2 LYS A 83 9.959 5.071 -1.009 1.00 41.21 H new ATOM 0 HB3 LYS A 83 9.455 6.733 -1.242 1.00 41.21 H new ATOM 0 HG2 LYS A 83 8.186 6.589 0.950 1.00 14.30 H new ATOM 0 HG3 LYS A 83 8.866 4.992 1.188 1.00 14.30 H new ATOM 0 HD2 LYS A 83 10.193 6.681 2.422 1.00 63.42 H new ATOM 0 HD3 LYS A 83 11.171 5.934 1.175 1.00 63.42 H new ATOM 0 HE2 LYS A 83 10.794 7.908 -0.321 1.00 53.11 H new ATOM 0 HE3 LYS A 83 9.784 8.652 0.902 1.00 53.11 H new ATOM 0 HZ1 LYS A 83 12.008 9.551 0.938 1.00 43.21 H new ATOM 0 HZ2 LYS A 83 11.691 8.732 2.391 1.00 43.21 H new ATOM 0 HZ3 LYS A 83 12.670 8.011 1.206 1.00 43.21 H new ATOM 1346 N HIS A 84 6.414 3.763 -0.269 1.00 61.31 N ATOM 1347 CA HIS A 84 5.845 2.464 0.158 1.00 11.03 C ATOM 1348 C HIS A 84 4.883 1.861 -0.905 1.00 43.04 C ATOM 1349 O HIS A 84 4.972 0.670 -1.217 1.00 5.21 O ATOM 1350 CB HIS A 84 5.111 2.621 1.518 1.00 71.22 C ATOM 1351 CG HIS A 84 6.006 3.010 2.671 1.00 44.42 C ATOM 1352 ND1 HIS A 84 5.519 3.550 3.841 1.00 15.30 N ATOM 1353 CD2 HIS A 84 7.349 2.910 2.848 1.00 54.14 C ATOM 1354 CE1 HIS A 84 6.508 3.774 4.675 1.00 65.13 C ATOM 1355 NE2 HIS A 84 7.627 3.394 4.103 1.00 53.55 N ATOM 0 H HIS A 84 5.935 4.572 0.127 1.00 61.31 H new ATOM 0 HA HIS A 84 6.677 1.769 0.271 1.00 11.03 H new ATOM 0 HB2 HIS A 84 4.330 3.374 1.410 1.00 71.22 H new ATOM 0 HB3 HIS A 84 4.616 1.681 1.760 1.00 71.22 H new ATOM 0 HD2 HIS A 84 8.063 2.523 2.136 1.00 54.14 H new ATOM 0 HE1 HIS A 84 6.417 4.199 5.664 1.00 65.13 H new ATOM 0 HE2 HIS A 84 8.555 3.449 4.523 1.00 53.55 H new ATOM 1364 N LEU A 85 3.978 2.686 -1.468 1.00 75.31 N ATOM 1365 CA LEU A 85 2.910 2.188 -2.387 1.00 24.23 C ATOM 1366 C LEU A 85 3.302 2.287 -3.881 1.00 23.01 C ATOM 1367 O LEU A 85 2.835 1.497 -4.692 1.00 61.31 O ATOM 1368 CB LEU A 85 1.589 2.971 -2.136 1.00 50.31 C ATOM 1369 CG LEU A 85 1.025 2.917 -0.679 1.00 33.43 C ATOM 1370 CD1 LEU A 85 -0.280 3.731 -0.554 1.00 31.20 C ATOM 1371 CD2 LEU A 85 0.822 1.463 -0.216 1.00 75.31 C ATOM 0 H LEU A 85 3.956 3.694 -1.310 1.00 75.31 H new ATOM 0 HA LEU A 85 2.770 1.130 -2.165 1.00 24.23 H new ATOM 0 HB2 LEU A 85 1.753 4.015 -2.402 1.00 50.31 H new ATOM 0 HB3 LEU A 85 0.827 2.585 -2.814 1.00 50.31 H new ATOM 0 HG LEU A 85 1.763 3.375 -0.020 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -0.648 3.674 0.471 1.00 31.20 H new ATOM 0 HD12 LEU A 85 -0.086 4.772 -0.813 1.00 31.20 H new ATOM 0 HD13 LEU A 85 -1.030 3.323 -1.232 1.00 31.20 H new ATOM 0 HD21 LEU A 85 0.429 1.456 0.801 1.00 75.31 H new ATOM 0 HD22 LEU A 85 0.117 0.965 -0.881 1.00 75.31 H new ATOM 0 HD23 LEU A 85 1.776 0.937 -0.239 1.00 75.31 H new ATOM 1383 N LEU A 86 4.148 3.267 -4.233 1.00 44.01 N ATOM 1384 CA LEU A 86 4.581 3.521 -5.642 1.00 12.12 C ATOM 1385 C LEU A 86 6.105 3.282 -5.828 1.00 53.25 C ATOM 1386 O LEU A 86 6.570 3.018 -6.943 1.00 64.51 O ATOM 1387 CB LEU A 86 4.208 4.982 -6.027 1.00 61.13 C ATOM 1388 CG LEU A 86 2.698 5.357 -5.848 1.00 10.25 C ATOM 1389 CD1 LEU A 86 2.461 6.864 -6.030 1.00 73.04 C ATOM 1390 CD2 LEU A 86 1.806 4.537 -6.802 1.00 72.12 C ATOM 0 H LEU A 86 4.559 3.913 -3.559 1.00 44.01 H new ATOM 0 HA LEU A 86 4.066 2.819 -6.298 1.00 12.12 H new ATOM 0 HB2 LEU A 86 4.808 5.664 -5.424 1.00 61.13 H new ATOM 0 HB3 LEU A 86 4.486 5.148 -7.068 1.00 61.13 H new ATOM 0 HG LEU A 86 2.420 5.105 -4.825 1.00 10.25 H new ATOM 0 HD11 LEU A 86 1.402 7.084 -5.898 1.00 73.04 H new ATOM 0 HD12 LEU A 86 3.041 7.416 -5.290 1.00 73.04 H new ATOM 0 HD13 LEU A 86 2.772 7.163 -7.031 1.00 73.04 H new ATOM 0 HD21 LEU A 86 0.763 4.818 -6.656 1.00 72.12 H new ATOM 0 HD22 LEU A 86 2.095 4.738 -7.833 1.00 72.12 H new ATOM 0 HD23 LEU A 86 1.929 3.475 -6.592 1.00 72.12 H new ATOM 1402 N GLY A 87 6.870 3.400 -4.725 1.00 14.34 N ATOM 1403 CA GLY A 87 8.331 3.176 -4.736 1.00 24.12 C ATOM 1404 C GLY A 87 9.171 4.448 -4.964 1.00 74.22 C ATOM 1405 O GLY A 87 10.404 4.373 -5.003 1.00 61.13 O ATOM 0 H GLY A 87 6.498 3.651 -3.809 1.00 14.34 H new ATOM 0 HA2 GLY A 87 8.624 2.728 -3.787 1.00 24.12 H new ATOM 0 HA3 GLY A 87 8.569 2.454 -5.517 1.00 24.12 H new ATOM 1409 N ARG A 88 8.511 5.619 -5.090 1.00 62.13 N ATOM 1410 CA ARG A 88 9.182 6.905 -5.439 1.00 23.31 C ATOM 1411 C ARG A 88 9.136 7.947 -4.291 1.00 41.54 C ATOM 1412 O ARG A 88 8.293 7.886 -3.402 1.00 21.42 O ATOM 1413 CB ARG A 88 8.547 7.515 -6.722 1.00 11.40 C ATOM 1414 CG ARG A 88 7.015 7.760 -6.650 1.00 14.31 C ATOM 1415 CD ARG A 88 6.481 8.557 -7.858 1.00 5.12 C ATOM 1416 NE ARG A 88 5.003 8.601 -7.883 1.00 2.24 N ATOM 1417 CZ ARG A 88 4.255 9.686 -7.895 1.00 55.52 C ATOM 1418 NH1 ARG A 88 4.771 10.875 -7.800 1.00 41.32 N ATOM 1419 NH2 ARG A 88 2.976 9.556 -7.994 1.00 45.00 N ATOM 0 H ARG A 88 7.504 5.707 -4.955 1.00 62.13 H new ATOM 0 HA ARG A 88 10.231 6.666 -5.616 1.00 23.31 H new ATOM 0 HB2 ARG A 88 9.041 8.463 -6.937 1.00 11.40 H new ATOM 0 HB3 ARG A 88 8.753 6.851 -7.561 1.00 11.40 H new ATOM 0 HG2 ARG A 88 6.500 6.801 -6.597 1.00 14.31 H new ATOM 0 HG3 ARG A 88 6.780 8.299 -5.732 1.00 14.31 H new ATOM 0 HD2 ARG A 88 6.873 9.573 -7.824 1.00 5.12 H new ATOM 0 HD3 ARG A 88 6.846 8.105 -8.780 1.00 5.12 H new ATOM 0 HE ARG A 88 4.515 7.705 -7.892 1.00 2.24 H new ATOM 0 HH11 ARG A 88 5.781 10.987 -7.713 1.00 41.32 H new ATOM 0 HH12 ARG A 88 4.166 11.696 -7.812 1.00 41.32 H new ATOM 0 HH21 ARG A 88 2.562 8.626 -8.061 1.00 45.00 H new ATOM 0 HH22 ARG A 88 2.379 10.383 -8.005 1.00 45.00 H new ATOM 1433 N ALA A 89 10.050 8.932 -4.366 1.00 10.44 N ATOM 1434 CA ALA A 89 10.168 10.029 -3.379 1.00 74.52 C ATOM 1435 C ALA A 89 9.541 11.333 -3.951 1.00 61.25 C ATOM 1436 O ALA A 89 9.931 11.760 -5.049 1.00 45.14 O ATOM 1437 CB ALA A 89 11.644 10.244 -3.001 1.00 45.22 C ATOM 0 H ALA A 89 10.735 8.992 -5.119 1.00 10.44 H new ATOM 0 HA ALA A 89 9.622 9.758 -2.475 1.00 74.52 H new ATOM 0 HB1 ALA A 89 11.719 11.053 -2.275 1.00 45.22 H new ATOM 0 HB2 ALA A 89 12.046 9.328 -2.567 1.00 45.22 H new ATOM 0 HB3 ALA A 89 12.214 10.503 -3.893 1.00 45.22 H new ATOM 1443 N PRO A 90 8.544 11.971 -3.245 1.00 3.13 N ATOM 1444 CA PRO A 90 7.865 13.201 -3.740 1.00 73.32 C ATOM 1445 C PRO A 90 8.828 14.410 -3.832 1.00 64.04 C ATOM 1446 O PRO A 90 9.076 15.143 -2.863 1.00 35.53 O ATOM 1447 CB PRO A 90 6.740 13.446 -2.713 1.00 44.43 C ATOM 1448 CG PRO A 90 7.263 12.817 -1.463 1.00 43.31 C ATOM 1449 CD PRO A 90 8.021 11.579 -1.910 1.00 51.30 C ATOM 0 HA PRO A 90 7.488 13.078 -4.755 1.00 73.32 H new ATOM 0 HB2 PRO A 90 6.547 14.510 -2.576 1.00 44.43 H new ATOM 0 HB3 PRO A 90 5.802 12.990 -3.029 1.00 44.43 H new ATOM 0 HG2 PRO A 90 7.917 13.503 -0.924 1.00 43.31 H new ATOM 0 HG3 PRO A 90 6.449 12.555 -0.787 1.00 43.31 H new ATOM 0 HD2 PRO A 90 8.826 11.327 -1.219 1.00 51.30 H new ATOM 0 HD3 PRO A 90 7.370 10.707 -1.972 1.00 51.30 H new ATOM 1457 N TYR A 91 9.370 14.569 -5.026 1.00 61.54 N ATOM 1458 CA TYR A 91 10.322 15.644 -5.379 1.00 55.23 C ATOM 1459 C TYR A 91 9.619 17.025 -5.440 1.00 24.30 C ATOM 1460 O TYR A 91 10.259 18.065 -5.295 1.00 52.23 O ATOM 1461 CB TYR A 91 10.988 15.308 -6.747 1.00 62.14 C ATOM 1462 CG TYR A 91 9.972 15.004 -7.876 1.00 61.23 C ATOM 1463 CD1 TYR A 91 9.414 16.028 -8.645 1.00 62.02 C ATOM 1464 CD2 TYR A 91 9.543 13.695 -8.130 1.00 34.23 C ATOM 1465 CE1 TYR A 91 8.475 15.766 -9.618 1.00 2.24 C ATOM 1466 CE2 TYR A 91 8.609 13.425 -9.109 1.00 34.23 C ATOM 1467 CZ TYR A 91 8.076 14.465 -9.850 1.00 4.42 C ATOM 1468 OH TYR A 91 7.138 14.200 -10.820 1.00 51.32 O ATOM 0 H TYR A 91 9.165 13.946 -5.807 1.00 61.54 H new ATOM 0 HA TYR A 91 11.087 15.704 -4.604 1.00 55.23 H new ATOM 0 HB2 TYR A 91 11.616 16.146 -7.051 1.00 62.14 H new ATOM 0 HB3 TYR A 91 11.645 14.447 -6.620 1.00 62.14 H new ATOM 0 HD1 TYR A 91 9.726 17.048 -8.473 1.00 62.02 H new ATOM 0 HD2 TYR A 91 9.951 12.882 -7.548 1.00 34.23 H new ATOM 0 HE1 TYR A 91 8.053 16.574 -10.197 1.00 2.24 H new ATOM 0 HE2 TYR A 91 8.296 12.408 -9.296 1.00 34.23 H new ATOM 0 HH TYR A 91 6.969 13.235 -10.857 1.00 51.32 H new ATOM 1478 N ASP A 92 8.295 16.997 -5.683 1.00 50.24 N ATOM 1479 CA ASP A 92 7.461 18.191 -5.904 1.00 74.41 C ATOM 1480 C ASP A 92 6.554 18.465 -4.695 1.00 54.04 C ATOM 1481 O ASP A 92 5.978 17.540 -4.112 1.00 54.11 O ATOM 1482 CB ASP A 92 6.610 17.952 -7.170 1.00 74.22 C ATOM 1483 CG ASP A 92 5.611 19.063 -7.519 1.00 44.11 C ATOM 1484 OD1 ASP A 92 5.947 20.260 -7.391 1.00 73.10 O ATOM 1485 OD2 ASP A 92 4.478 18.733 -7.919 1.00 71.22 O ATOM 0 H ASP A 92 7.766 16.126 -5.732 1.00 50.24 H new ATOM 0 HA ASP A 92 8.100 19.065 -6.034 1.00 74.41 H new ATOM 0 HB2 ASP A 92 7.282 17.814 -8.017 1.00 74.22 H new ATOM 0 HB3 ASP A 92 6.059 17.020 -7.045 1.00 74.22 H new ATOM 1490 N GLN A 93 6.438 19.750 -4.339 1.00 12.04 N ATOM 1491 CA GLN A 93 5.545 20.198 -3.249 1.00 31.44 C ATOM 1492 C GLN A 93 4.057 20.160 -3.666 1.00 10.21 C ATOM 1493 O GLN A 93 3.201 19.859 -2.838 1.00 11.33 O ATOM 1494 CB GLN A 93 5.931 21.611 -2.742 1.00 53.44 C ATOM 1495 CG GLN A 93 5.020 22.116 -1.607 1.00 52.52 C ATOM 1496 CD GLN A 93 5.505 23.396 -0.930 1.00 23.24 C ATOM 1497 OE1 GLN A 93 5.172 24.503 -1.338 1.00 2.25 O ATOM 1498 NE2 GLN A 93 6.295 23.253 0.115 1.00 60.04 N ATOM 0 H GLN A 93 6.953 20.507 -4.790 1.00 12.04 H new ATOM 0 HA GLN A 93 5.677 19.493 -2.428 1.00 31.44 H new ATOM 0 HB2 GLN A 93 6.963 21.595 -2.392 1.00 53.44 H new ATOM 0 HB3 GLN A 93 5.888 22.313 -3.574 1.00 53.44 H new ATOM 0 HG2 GLN A 93 4.021 22.288 -2.009 1.00 52.52 H new ATOM 0 HG3 GLN A 93 4.930 21.333 -0.854 1.00 52.52 H new ATOM 0 HE21 GLN A 93 6.556 22.320 0.433 1.00 60.04 H new ATOM 0 HE22 GLN A 93 6.645 24.076 0.606 1.00 60.04 H new ATOM 1507 N ALA A 94 3.755 20.445 -4.946 1.00 44.44 N ATOM 1508 CA ALA A 94 2.367 20.354 -5.478 1.00 14.35 C ATOM 1509 C ALA A 94 1.839 18.894 -5.404 1.00 71.25 C ATOM 1510 O ALA A 94 0.641 18.667 -5.221 1.00 32.23 O ATOM 1511 CB ALA A 94 2.282 20.916 -6.903 1.00 11.11 C ATOM 0 H ALA A 94 4.446 20.740 -5.636 1.00 44.44 H new ATOM 0 HA ALA A 94 1.723 20.968 -4.849 1.00 14.35 H new ATOM 0 HB1 ALA A 94 1.257 20.836 -7.265 1.00 11.11 H new ATOM 0 HB2 ALA A 94 2.585 21.963 -6.900 1.00 11.11 H new ATOM 0 HB3 ALA A 94 2.943 20.349 -7.558 1.00 11.11 H new ATOM 1517 N GLU A 95 2.766 17.925 -5.543 1.00 35.44 N ATOM 1518 CA GLU A 95 2.494 16.479 -5.378 1.00 51.11 C ATOM 1519 C GLU A 95 2.085 16.140 -3.909 1.00 73.11 C ATOM 1520 O GLU A 95 1.094 15.439 -3.673 1.00 44.12 O ATOM 1521 CB GLU A 95 3.773 15.689 -5.792 1.00 41.20 C ATOM 1522 CG GLU A 95 3.663 14.149 -5.779 1.00 54.32 C ATOM 1523 CD GLU A 95 2.695 13.571 -6.829 1.00 43.45 C ATOM 1524 OE1 GLU A 95 3.112 13.382 -7.996 1.00 50.12 O ATOM 1525 OE2 GLU A 95 1.525 13.269 -6.493 1.00 63.22 O ATOM 0 H GLU A 95 3.739 18.125 -5.776 1.00 35.44 H new ATOM 0 HA GLU A 95 1.656 16.193 -6.014 1.00 51.11 H new ATOM 0 HB2 GLU A 95 4.058 16.003 -6.796 1.00 41.20 H new ATOM 0 HB3 GLU A 95 4.585 15.979 -5.125 1.00 41.20 H new ATOM 0 HG2 GLU A 95 4.654 13.725 -5.943 1.00 54.32 H new ATOM 0 HG3 GLU A 95 3.339 13.828 -4.789 1.00 54.32 H new ATOM 1532 N VAL A 96 2.848 16.679 -2.938 1.00 70.34 N ATOM 1533 CA VAL A 96 2.598 16.471 -1.488 1.00 51.30 C ATOM 1534 C VAL A 96 1.266 17.141 -1.045 1.00 22.13 C ATOM 1535 O VAL A 96 0.400 16.493 -0.454 1.00 65.35 O ATOM 1536 CB VAL A 96 3.794 17.047 -0.629 1.00 4.33 C ATOM 1537 CG1 VAL A 96 3.540 16.889 0.893 1.00 25.25 C ATOM 1538 CG2 VAL A 96 5.146 16.402 -1.033 1.00 12.32 C ATOM 0 H VAL A 96 3.656 17.271 -3.131 1.00 70.34 H new ATOM 0 HA VAL A 96 2.520 15.397 -1.318 1.00 51.30 H new ATOM 0 HB VAL A 96 3.853 18.114 -0.844 1.00 4.33 H new ATOM 0 HG11 VAL A 96 4.385 17.297 1.447 1.00 25.25 H new ATOM 0 HG12 VAL A 96 2.632 17.426 1.168 1.00 25.25 H new ATOM 0 HG13 VAL A 96 3.424 15.833 1.135 1.00 25.25 H new ATOM 0 HG21 VAL A 96 5.946 16.821 -0.423 1.00 12.32 H new ATOM 0 HG22 VAL A 96 5.096 15.324 -0.876 1.00 12.32 H new ATOM 0 HG23 VAL A 96 5.347 16.607 -2.085 1.00 12.32 H new ATOM 1548 N ALA A 97 1.132 18.439 -1.373 1.00 13.13 N ATOM 1549 CA ALA A 97 -0.030 19.284 -1.011 1.00 24.42 C ATOM 1550 C ALA A 97 -1.359 18.767 -1.608 1.00 45.31 C ATOM 1551 O ALA A 97 -2.415 18.898 -0.982 1.00 52.10 O ATOM 1552 CB ALA A 97 0.222 20.740 -1.448 1.00 25.31 C ATOM 0 H ALA A 97 1.840 18.943 -1.907 1.00 13.13 H new ATOM 0 HA ALA A 97 -0.135 19.236 0.073 1.00 24.42 H new ATOM 0 HB1 ALA A 97 -0.637 21.355 -1.178 1.00 25.31 H new ATOM 0 HB2 ALA A 97 1.112 21.121 -0.948 1.00 25.31 H new ATOM 0 HB3 ALA A 97 0.369 20.776 -2.527 1.00 25.31 H new ATOM 1558 N ALA A 98 -1.290 18.177 -2.819 1.00 73.51 N ATOM 1559 CA ALA A 98 -2.472 17.585 -3.486 1.00 11.43 C ATOM 1560 C ALA A 98 -3.036 16.399 -2.677 1.00 64.33 C ATOM 1561 O ALA A 98 -4.239 16.323 -2.418 1.00 64.14 O ATOM 1562 CB ALA A 98 -2.121 17.137 -4.910 1.00 74.21 C ATOM 0 H ALA A 98 -0.427 18.097 -3.357 1.00 73.51 H new ATOM 0 HA ALA A 98 -3.242 18.355 -3.540 1.00 11.43 H new ATOM 0 HB1 ALA A 98 -3.003 16.705 -5.383 1.00 74.21 H new ATOM 0 HB2 ALA A 98 -1.783 17.996 -5.489 1.00 74.21 H new ATOM 0 HB3 ALA A 98 -1.327 16.391 -4.871 1.00 74.21 H new ATOM 1568 N HIS A 99 -2.138 15.487 -2.266 1.00 53.44 N ATOM 1569 CA HIS A 99 -2.507 14.289 -1.481 1.00 12.01 C ATOM 1570 C HIS A 99 -2.835 14.620 -0.008 1.00 33.32 C ATOM 1571 O HIS A 99 -3.621 13.913 0.619 1.00 43.04 O ATOM 1572 CB HIS A 99 -1.397 13.220 -1.599 1.00 43.42 C ATOM 1573 CG HIS A 99 -1.382 12.559 -2.955 1.00 64.42 C ATOM 1574 ND1 HIS A 99 -2.102 11.418 -3.232 1.00 23.12 N ATOM 1575 CD2 HIS A 99 -0.780 12.902 -4.118 1.00 52.20 C ATOM 1576 CE1 HIS A 99 -1.936 11.085 -4.494 1.00 64.25 C ATOM 1577 NE2 HIS A 99 -1.143 11.968 -5.053 1.00 32.02 N ATOM 0 H HIS A 99 -1.140 15.556 -2.466 1.00 53.44 H new ATOM 0 HA HIS A 99 -3.427 13.884 -1.903 1.00 12.01 H new ATOM 0 HB2 HIS A 99 -0.428 13.683 -1.412 1.00 43.42 H new ATOM 0 HB3 HIS A 99 -1.542 12.462 -0.829 1.00 43.42 H new ATOM 0 HD1 HIS A 99 -2.677 10.909 -2.561 1.00 23.12 H new ATOM 0 HD2 HIS A 99 -0.134 13.753 -4.279 1.00 52.20 H new ATOM 0 HE1 HIS A 99 -2.377 10.231 -4.986 1.00 64.25 H new ATOM 1586 N ALA A 100 -2.224 15.684 0.533 1.00 41.44 N ATOM 1587 CA ALA A 100 -2.598 16.234 1.856 1.00 42.44 C ATOM 1588 C ALA A 100 -4.055 16.746 1.851 1.00 44.55 C ATOM 1589 O ALA A 100 -4.844 16.417 2.740 1.00 50.52 O ATOM 1590 CB ALA A 100 -1.636 17.360 2.254 1.00 14.01 C ATOM 0 H ALA A 100 -1.464 16.187 0.076 1.00 41.44 H new ATOM 0 HA ALA A 100 -2.525 15.433 2.591 1.00 42.44 H new ATOM 0 HB1 ALA A 100 -1.922 17.756 3.229 1.00 14.01 H new ATOM 0 HB2 ALA A 100 -0.620 16.969 2.305 1.00 14.01 H new ATOM 0 HB3 ALA A 100 -1.681 18.157 1.511 1.00 14.01 H new ATOM 1596 N ALA A 101 -4.397 17.537 0.818 1.00 62.41 N ATOM 1597 CA ALA A 101 -5.760 18.087 0.634 1.00 4.30 C ATOM 1598 C ALA A 101 -6.809 16.970 0.404 1.00 23.14 C ATOM 1599 O ALA A 101 -7.922 17.040 0.934 1.00 75.50 O ATOM 1600 CB ALA A 101 -5.770 19.082 -0.533 1.00 52.21 C ATOM 0 H ALA A 101 -3.742 17.815 0.087 1.00 62.41 H new ATOM 0 HA ALA A 101 -6.037 18.605 1.552 1.00 4.30 H new ATOM 0 HB1 ALA A 101 -6.776 19.482 -0.662 1.00 52.21 H new ATOM 0 HB2 ALA A 101 -5.079 19.898 -0.321 1.00 52.21 H new ATOM 0 HB3 ALA A 101 -5.462 18.574 -1.447 1.00 52.21 H new ATOM 1606 N THR A 102 -6.424 15.937 -0.375 1.00 1.10 N ATOM 1607 CA THR A 102 -7.288 14.762 -0.662 1.00 60.21 C ATOM 1608 C THR A 102 -7.512 13.915 0.620 1.00 63.44 C ATOM 1609 O THR A 102 -8.613 13.407 0.853 1.00 1.00 O ATOM 1610 CB THR A 102 -6.677 13.863 -1.798 1.00 11.14 C ATOM 1611 OG1 THR A 102 -6.550 14.617 -3.017 1.00 12.35 O ATOM 1612 CG2 THR A 102 -7.524 12.605 -2.087 1.00 53.21 C ATOM 0 H THR A 102 -5.509 15.890 -0.824 1.00 1.10 H new ATOM 0 HA THR A 102 -8.249 15.143 -1.007 1.00 60.21 H new ATOM 0 HB THR A 102 -5.700 13.540 -1.439 1.00 11.14 H new ATOM 0 HG1 THR A 102 -5.786 15.227 -2.946 1.00 12.35 H new ATOM 0 HG21 THR A 102 -7.053 12.024 -2.880 1.00 53.21 H new ATOM 0 HG22 THR A 102 -7.594 11.998 -1.184 1.00 53.21 H new ATOM 0 HG23 THR A 102 -8.524 12.904 -2.401 1.00 53.21 H new ATOM 1620 N TYR A 103 -6.456 13.788 1.444 1.00 24.21 N ATOM 1621 CA TYR A 103 -6.512 13.118 2.765 1.00 50.35 C ATOM 1622 C TYR A 103 -7.605 13.724 3.694 1.00 12.12 C ATOM 1623 O TYR A 103 -8.325 12.994 4.376 1.00 65.11 O ATOM 1624 CB TYR A 103 -5.106 13.205 3.430 1.00 14.45 C ATOM 1625 CG TYR A 103 -5.021 12.641 4.854 1.00 33.50 C ATOM 1626 CD1 TYR A 103 -4.892 11.271 5.079 1.00 73.33 C ATOM 1627 CD2 TYR A 103 -5.082 13.481 5.971 1.00 11.12 C ATOM 1628 CE1 TYR A 103 -4.832 10.761 6.361 1.00 73.34 C ATOM 1629 CE2 TYR A 103 -5.018 12.974 7.246 1.00 21.42 C ATOM 1630 CZ TYR A 103 -4.896 11.613 7.438 1.00 51.42 C ATOM 1631 OH TYR A 103 -4.852 11.099 8.715 1.00 3.33 O ATOM 0 H TYR A 103 -5.530 14.149 1.214 1.00 24.21 H new ATOM 0 HA TYR A 103 -6.789 12.075 2.611 1.00 50.35 H new ATOM 0 HB2 TYR A 103 -4.391 12.673 2.802 1.00 14.45 H new ATOM 0 HB3 TYR A 103 -4.796 14.250 3.451 1.00 14.45 H new ATOM 0 HD1 TYR A 103 -4.838 10.597 4.237 1.00 73.33 H new ATOM 0 HD2 TYR A 103 -5.181 14.547 5.828 1.00 11.12 H new ATOM 0 HE1 TYR A 103 -4.735 9.697 6.517 1.00 73.34 H new ATOM 0 HE2 TYR A 103 -5.063 13.639 8.096 1.00 21.42 H new ATOM 0 HH TYR A 103 -4.132 11.534 9.218 1.00 3.33 H new ATOM 1641 N HIS A 104 -7.685 15.067 3.750 1.00 74.00 N ATOM 1642 CA HIS A 104 -8.690 15.777 4.586 1.00 14.12 C ATOM 1643 C HIS A 104 -10.106 15.802 3.933 1.00 3.45 C ATOM 1644 O HIS A 104 -11.106 15.521 4.599 1.00 73.21 O ATOM 1645 CB HIS A 104 -8.209 17.212 4.914 1.00 22.20 C ATOM 1646 CG HIS A 104 -6.926 17.257 5.717 1.00 71.21 C ATOM 1647 ND1 HIS A 104 -6.849 16.873 7.039 1.00 52.11 N ATOM 1648 CD2 HIS A 104 -5.667 17.612 5.369 1.00 61.24 C ATOM 1649 CE1 HIS A 104 -5.607 16.990 7.464 1.00 25.42 C ATOM 1650 NE2 HIS A 104 -4.868 17.433 6.473 1.00 35.24 N ATOM 0 H HIS A 104 -7.068 15.689 3.228 1.00 74.00 H new ATOM 0 HA HIS A 104 -8.784 15.215 5.515 1.00 14.12 H new ATOM 0 HB2 HIS A 104 -8.063 17.758 3.982 1.00 22.20 H new ATOM 0 HB3 HIS A 104 -8.992 17.730 5.468 1.00 22.20 H new ATOM 0 HD2 HIS A 104 -5.349 17.970 4.401 1.00 61.24 H new ATOM 0 HE1 HIS A 104 -5.256 16.760 8.459 1.00 25.42 H new ATOM 0 HE2 HIS A 104 -3.865 17.615 6.516 1.00 35.24 H new ATOM 1659 N SER A 105 -10.176 16.132 2.629 1.00 73.22 N ATOM 1660 CA SER A 105 -11.474 16.400 1.931 1.00 35.32 C ATOM 1661 C SER A 105 -12.177 15.111 1.428 1.00 3.21 C ATOM 1662 O SER A 105 -13.408 15.010 1.476 1.00 75.42 O ATOM 1663 CB SER A 105 -11.242 17.358 0.737 1.00 3.41 C ATOM 1664 OG SER A 105 -12.429 17.586 -0.009 1.00 65.34 O ATOM 0 H SER A 105 -9.357 16.222 2.028 1.00 73.22 H new ATOM 0 HA SER A 105 -12.134 16.858 2.668 1.00 35.32 H new ATOM 0 HB2 SER A 105 -10.859 18.309 1.106 1.00 3.41 H new ATOM 0 HB3 SER A 105 -10.478 16.940 0.081 1.00 3.41 H new ATOM 0 HG SER A 105 -12.237 18.197 -0.751 1.00 65.34 H new ATOM 1670 N HIS A 106 -11.397 14.135 0.936 1.00 24.52 N ATOM 1671 CA HIS A 106 -11.929 12.827 0.445 1.00 61.11 C ATOM 1672 C HIS A 106 -11.690 11.676 1.454 1.00 32.43 C ATOM 1673 O HIS A 106 -12.259 10.592 1.304 1.00 42.25 O ATOM 1674 CB HIS A 106 -11.274 12.475 -0.915 1.00 61.24 C ATOM 1675 CG HIS A 106 -11.550 13.457 -2.025 1.00 31.45 C ATOM 1676 ND1 HIS A 106 -12.581 13.293 -2.924 1.00 54.13 N ATOM 1677 CD2 HIS A 106 -10.920 14.603 -2.391 1.00 44.12 C ATOM 1678 CE1 HIS A 106 -12.571 14.282 -3.791 1.00 14.14 C ATOM 1679 NE2 HIS A 106 -11.578 15.088 -3.494 1.00 74.13 N ATOM 0 H HIS A 106 -10.383 14.217 0.862 1.00 24.52 H new ATOM 0 HA HIS A 106 -13.007 12.937 0.327 1.00 61.11 H new ATOM 0 HB2 HIS A 106 -10.196 12.402 -0.774 1.00 61.24 H new ATOM 0 HB3 HIS A 106 -11.623 11.490 -1.226 1.00 61.24 H new ATOM 0 HD2 HIS A 106 -10.064 15.048 -1.906 1.00 44.12 H new ATOM 0 HE1 HIS A 106 -13.263 14.410 -4.610 1.00 14.14 H new ATOM 0 HE2 HIS A 106 -11.334 15.939 -4.002 1.00 74.13 H new ATOM 1688 N GLY A 107 -10.822 11.915 2.450 1.00 41.44 N ATOM 1689 CA GLY A 107 -10.477 10.897 3.459 1.00 61.02 C ATOM 1690 C GLY A 107 -9.231 10.085 3.084 1.00 12.01 C ATOM 1691 O GLY A 107 -8.855 10.027 1.905 1.00 34.31 O ATOM 0 H GLY A 107 -10.344 12.807 2.579 1.00 41.44 H new ATOM 0 HA2 GLY A 107 -10.311 11.386 4.419 1.00 61.02 H new ATOM 0 HA3 GLY A 107 -11.321 10.219 3.588 1.00 61.02 H new ATOM 1695 N TYR A 108 -8.596 9.447 4.097 1.00 11.11 N ATOM 1696 CA TYR A 108 -7.369 8.620 3.905 1.00 23.31 C ATOM 1697 C TYR A 108 -7.616 7.439 2.941 1.00 2.14 C ATOM 1698 O TYR A 108 -6.720 7.023 2.210 1.00 11.33 O ATOM 1699 CB TYR A 108 -6.845 8.093 5.275 1.00 51.12 C ATOM 1700 CG TYR A 108 -7.693 6.989 5.935 1.00 45.02 C ATOM 1701 CD1 TYR A 108 -8.967 7.259 6.440 1.00 13.14 C ATOM 1702 CD2 TYR A 108 -7.213 5.679 6.048 1.00 41.41 C ATOM 1703 CE1 TYR A 108 -9.726 6.266 7.030 1.00 34.31 C ATOM 1704 CE2 TYR A 108 -7.969 4.685 6.635 1.00 34.44 C ATOM 1705 CZ TYR A 108 -9.224 4.981 7.126 1.00 31.52 C ATOM 1706 OH TYR A 108 -9.981 3.989 7.720 1.00 60.13 O ATOM 0 H TYR A 108 -8.913 9.487 5.066 1.00 11.11 H new ATOM 0 HA TYR A 108 -6.612 9.263 3.456 1.00 23.31 H new ATOM 0 HB2 TYR A 108 -5.833 7.713 5.134 1.00 51.12 H new ATOM 0 HB3 TYR A 108 -6.776 8.934 5.965 1.00 51.12 H new ATOM 0 HD1 TYR A 108 -9.366 8.260 6.368 1.00 13.14 H new ATOM 0 HD2 TYR A 108 -6.230 5.441 5.668 1.00 41.41 H new ATOM 0 HE1 TYR A 108 -10.709 6.493 7.415 1.00 34.31 H new ATOM 0 HE2 TYR A 108 -7.580 3.680 6.710 1.00 34.44 H new ATOM 0 HH TYR A 108 -9.483 3.145 7.706 1.00 60.13 H new ATOM 1716 N ASP A 109 -8.857 6.910 2.977 1.00 25.52 N ATOM 1717 CA ASP A 109 -9.287 5.782 2.132 1.00 35.31 C ATOM 1718 C ASP A 109 -9.227 6.147 0.635 1.00 13.51 C ATOM 1719 O ASP A 109 -8.569 5.461 -0.132 1.00 74.22 O ATOM 1720 CB ASP A 109 -10.709 5.312 2.549 1.00 24.20 C ATOM 1721 CG ASP A 109 -11.698 6.476 2.735 1.00 10.43 C ATOM 1722 OD1 ASP A 109 -11.776 7.013 3.860 1.00 13.41 O ATOM 1723 OD2 ASP A 109 -12.373 6.873 1.762 1.00 13.22 O ATOM 0 H ASP A 109 -9.590 7.256 3.596 1.00 25.52 H new ATOM 0 HA ASP A 109 -8.596 4.953 2.285 1.00 35.31 H new ATOM 0 HB2 ASP A 109 -11.097 4.631 1.792 1.00 24.20 H new ATOM 0 HB3 ASP A 109 -10.641 4.749 3.480 1.00 24.20 H new ATOM 1728 N ALA A 110 -9.850 7.269 0.252 1.00 2.23 N ATOM 1729 CA ALA A 110 -9.906 7.715 -1.158 1.00 22.42 C ATOM 1730 C ALA A 110 -8.529 8.203 -1.676 1.00 30.13 C ATOM 1731 O ALA A 110 -8.239 8.106 -2.881 1.00 74.20 O ATOM 1732 CB ALA A 110 -10.962 8.809 -1.314 1.00 2.21 C ATOM 0 H ALA A 110 -10.328 7.894 0.901 1.00 2.23 H new ATOM 0 HA ALA A 110 -10.184 6.855 -1.767 1.00 22.42 H new ATOM 0 HB1 ALA A 110 -10.999 9.134 -2.354 1.00 2.21 H new ATOM 0 HB2 ALA A 110 -11.937 8.418 -1.021 1.00 2.21 H new ATOM 0 HB3 ALA A 110 -10.705 9.656 -0.678 1.00 2.21 H new ATOM 1738 N ASP A 111 -7.698 8.743 -0.753 1.00 51.22 N ATOM 1739 CA ASP A 111 -6.322 9.178 -1.072 1.00 75.42 C ATOM 1740 C ASP A 111 -5.428 7.959 -1.405 1.00 1.53 C ATOM 1741 O ASP A 111 -4.827 7.904 -2.472 1.00 24.22 O ATOM 1742 CB ASP A 111 -5.705 10.002 0.098 1.00 10.43 C ATOM 1743 CG ASP A 111 -4.312 10.560 -0.258 1.00 40.43 C ATOM 1744 OD1 ASP A 111 -4.236 11.376 -1.200 1.00 60.54 O ATOM 1745 OD2 ASP A 111 -3.293 10.156 0.357 1.00 25.34 O ATOM 0 H ASP A 111 -7.961 8.887 0.222 1.00 51.22 H new ATOM 0 HA ASP A 111 -6.372 9.823 -1.949 1.00 75.42 H new ATOM 0 HB2 ASP A 111 -6.372 10.826 0.351 1.00 10.43 H new ATOM 0 HB3 ASP A 111 -5.627 9.371 0.984 1.00 10.43 H new ATOM 1750 N ILE A 112 -5.381 6.978 -0.490 1.00 24.54 N ATOM 1751 CA ILE A 112 -4.567 5.751 -0.656 1.00 25.41 C ATOM 1752 C ILE A 112 -5.093 4.858 -1.808 1.00 71.12 C ATOM 1753 O ILE A 112 -4.297 4.263 -2.545 1.00 11.12 O ATOM 1754 CB ILE A 112 -4.477 4.955 0.702 1.00 15.31 C ATOM 1755 CG1 ILE A 112 -3.633 5.778 1.740 1.00 72.43 C ATOM 1756 CG2 ILE A 112 -3.915 3.522 0.517 1.00 2.22 C ATOM 1757 CD1 ILE A 112 -3.486 5.150 3.121 1.00 22.23 C ATOM 0 H ILE A 112 -5.903 7.007 0.386 1.00 24.54 H new ATOM 0 HA ILE A 112 -3.559 6.058 -0.935 1.00 25.41 H new ATOM 0 HB ILE A 112 -5.489 4.829 1.086 1.00 15.31 H new ATOM 0 HG12 ILE A 112 -2.637 5.937 1.326 1.00 72.43 H new ATOM 0 HG13 ILE A 112 -4.091 6.760 1.855 1.00 72.43 H new ATOM 0 HG21 ILE A 112 -3.875 3.019 1.483 1.00 2.22 H new ATOM 0 HG22 ILE A 112 -4.563 2.961 -0.157 1.00 2.22 H new ATOM 0 HG23 ILE A 112 -2.912 3.576 0.094 1.00 2.22 H new ATOM 0 HD11 ILE A 112 -2.886 5.802 3.755 1.00 22.23 H new ATOM 0 HD12 ILE A 112 -4.472 5.017 3.567 1.00 22.23 H new ATOM 0 HD13 ILE A 112 -2.995 4.181 3.030 1.00 22.23 H new ATOM 1769 N ASN A 113 -6.436 4.811 -1.989 1.00 15.22 N ATOM 1770 CA ASN A 113 -7.069 4.121 -3.146 1.00 43.25 C ATOM 1771 C ASN A 113 -6.559 4.713 -4.476 1.00 24.42 C ATOM 1772 O ASN A 113 -6.424 3.990 -5.447 1.00 31.15 O ATOM 1773 CB ASN A 113 -8.626 4.195 -3.110 1.00 20.22 C ATOM 1774 CG ASN A 113 -9.273 3.264 -2.085 1.00 54.41 C ATOM 1775 OD1 ASN A 113 -8.758 2.198 -1.776 1.00 54.33 O ATOM 1776 ND2 ASN A 113 -10.419 3.655 -1.563 1.00 62.01 N ATOM 0 H ASN A 113 -7.104 5.242 -1.350 1.00 15.22 H new ATOM 0 HA ASN A 113 -6.784 3.071 -3.074 1.00 43.25 H new ATOM 0 HB2 ASN A 113 -8.925 5.220 -2.893 1.00 20.22 H new ATOM 0 HB3 ASN A 113 -9.013 3.953 -4.100 1.00 20.22 H new ATOM 0 HD21 ASN A 113 -10.898 3.064 -0.884 1.00 62.01 H new ATOM 0 HD22 ASN A 113 -10.826 4.549 -1.838 1.00 62.01 H new ATOM 1783 N SER A 114 -6.262 6.036 -4.488 1.00 65.04 N ATOM 1784 CA SER A 114 -5.674 6.713 -5.668 1.00 54.42 C ATOM 1785 C SER A 114 -4.276 6.145 -6.020 1.00 52.54 C ATOM 1786 O SER A 114 -3.980 5.943 -7.196 1.00 2.55 O ATOM 1787 CB SER A 114 -5.590 8.243 -5.447 1.00 14.42 C ATOM 1788 OG SER A 114 -5.045 8.910 -6.577 1.00 62.35 O ATOM 0 H SER A 114 -6.421 6.655 -3.693 1.00 65.04 H new ATOM 0 HA SER A 114 -6.337 6.518 -6.511 1.00 54.42 H new ATOM 0 HB2 SER A 114 -6.585 8.635 -5.238 1.00 14.42 H new ATOM 0 HB3 SER A 114 -4.975 8.451 -4.571 1.00 14.42 H new ATOM 0 HG SER A 114 -5.009 9.874 -6.402 1.00 62.35 H new ATOM 1794 N TYR A 115 -3.433 5.852 -4.992 1.00 63.42 N ATOM 1795 CA TYR A 115 -2.083 5.240 -5.216 1.00 53.15 C ATOM 1796 C TYR A 115 -2.248 3.819 -5.808 1.00 34.31 C ATOM 1797 O TYR A 115 -1.538 3.432 -6.732 1.00 41.44 O ATOM 1798 CB TYR A 115 -1.274 5.109 -3.886 1.00 14.25 C ATOM 1799 CG TYR A 115 -0.894 6.418 -3.169 1.00 44.45 C ATOM 1800 CD1 TYR A 115 -1.866 7.316 -2.760 1.00 62.51 C ATOM 1801 CD2 TYR A 115 0.439 6.732 -2.866 1.00 62.52 C ATOM 1802 CE1 TYR A 115 -1.546 8.476 -2.091 1.00 24.03 C ATOM 1803 CE2 TYR A 115 0.765 7.893 -2.189 1.00 3.44 C ATOM 1804 CZ TYR A 115 -0.232 8.762 -1.807 1.00 35.45 C ATOM 1805 OH TYR A 115 0.085 9.928 -1.135 1.00 43.42 O ATOM 0 H TYR A 115 -3.655 6.025 -4.012 1.00 63.42 H new ATOM 0 HA TYR A 115 -1.543 5.895 -5.899 1.00 53.15 H new ATOM 0 HB2 TYR A 115 -1.855 4.500 -3.194 1.00 14.25 H new ATOM 0 HB3 TYR A 115 -0.356 4.561 -4.100 1.00 14.25 H new ATOM 0 HD1 TYR A 115 -2.903 7.100 -2.972 1.00 62.51 H new ATOM 0 HD2 TYR A 115 1.225 6.055 -3.167 1.00 62.52 H new ATOM 0 HE1 TYR A 115 -2.326 9.160 -1.790 1.00 24.03 H new ATOM 0 HE2 TYR A 115 1.797 8.117 -1.961 1.00 3.44 H new ATOM 0 HH TYR A 115 1.056 9.981 -1.011 1.00 43.42 H new ATOM 1815 N ILE A 116 -3.247 3.100 -5.273 1.00 64.42 N ATOM 1816 CA ILE A 116 -3.547 1.698 -5.627 1.00 31.53 C ATOM 1817 C ILE A 116 -4.232 1.578 -7.022 1.00 53.50 C ATOM 1818 O ILE A 116 -4.056 0.581 -7.736 1.00 73.11 O ATOM 1819 CB ILE A 116 -4.437 1.056 -4.491 1.00 74.45 C ATOM 1820 CG1 ILE A 116 -3.724 1.174 -3.099 1.00 21.42 C ATOM 1821 CG2 ILE A 116 -4.809 -0.415 -4.789 1.00 10.13 C ATOM 1822 CD1 ILE A 116 -2.385 0.455 -2.979 1.00 24.41 C ATOM 0 H ILE A 116 -3.881 3.480 -4.570 1.00 64.42 H new ATOM 0 HA ILE A 116 -2.607 1.151 -5.702 1.00 31.53 H new ATOM 0 HB ILE A 116 -5.370 1.619 -4.462 1.00 74.45 H new ATOM 0 HG12 ILE A 116 -3.569 2.230 -2.879 1.00 21.42 H new ATOM 0 HG13 ILE A 116 -4.395 0.784 -2.334 1.00 21.42 H new ATOM 0 HG21 ILE A 116 -5.421 -0.807 -3.977 1.00 10.13 H new ATOM 0 HG22 ILE A 116 -5.369 -0.467 -5.723 1.00 10.13 H new ATOM 0 HG23 ILE A 116 -3.900 -1.009 -4.878 1.00 10.13 H new ATOM 0 HD11 ILE A 116 -1.981 0.602 -1.977 1.00 24.41 H new ATOM 0 HD12 ILE A 116 -2.527 -0.610 -3.160 1.00 24.41 H new ATOM 0 HD13 ILE A 116 -1.688 0.858 -3.714 1.00 24.41 H new ATOM 1834 N ASP A 117 -4.975 2.628 -7.411 1.00 11.33 N ATOM 1835 CA ASP A 117 -5.806 2.633 -8.640 1.00 14.23 C ATOM 1836 C ASP A 117 -5.108 3.372 -9.817 1.00 44.23 C ATOM 1837 O ASP A 117 -5.568 3.279 -10.964 1.00 64.32 O ATOM 1838 CB ASP A 117 -7.191 3.272 -8.315 1.00 41.11 C ATOM 1839 CG ASP A 117 -8.298 2.903 -9.316 1.00 62.33 C ATOM 1840 OD1 ASP A 117 -8.946 1.851 -9.132 1.00 74.42 O ATOM 1841 OD2 ASP A 117 -8.533 3.659 -10.278 1.00 52.24 O ATOM 0 H ASP A 117 -5.020 3.501 -6.886 1.00 11.33 H new ATOM 0 HA ASP A 117 -5.947 1.603 -8.967 1.00 14.23 H new ATOM 0 HB2 ASP A 117 -7.499 2.960 -7.317 1.00 41.11 H new ATOM 0 HB3 ASP A 117 -7.083 4.356 -8.291 1.00 41.11 H new ATOM 1846 N SER A 118 -3.983 4.081 -9.544 1.00 60.33 N ATOM 1847 CA SER A 118 -3.234 4.836 -10.590 1.00 11.52 C ATOM 1848 C SER A 118 -2.657 3.898 -11.671 1.00 5.13 C ATOM 1849 O SER A 118 -2.243 2.780 -11.366 1.00 43.44 O ATOM 1850 CB SER A 118 -2.070 5.666 -9.972 1.00 35.23 C ATOM 1851 OG SER A 118 -2.537 6.797 -9.252 1.00 70.14 O ATOM 0 H SER A 118 -3.573 4.148 -8.612 1.00 60.33 H new ATOM 0 HA SER A 118 -3.954 5.512 -11.052 1.00 11.52 H new ATOM 0 HB2 SER A 118 -1.487 5.030 -9.306 1.00 35.23 H new ATOM 0 HB3 SER A 118 -1.400 5.995 -10.766 1.00 35.23 H new ATOM 0 HG SER A 118 -3.223 6.516 -8.611 1.00 70.14 H new ATOM 1857 N ALA A 119 -2.616 4.384 -12.924 1.00 13.34 N ATOM 1858 CA ALA A 119 -2.014 3.641 -14.055 1.00 33.42 C ATOM 1859 C ALA A 119 -0.501 3.405 -13.839 1.00 24.13 C ATOM 1860 O ALA A 119 0.036 2.401 -14.280 1.00 22.52 O ATOM 1861 CB ALA A 119 -2.256 4.386 -15.374 1.00 12.31 C ATOM 0 H ALA A 119 -2.995 5.295 -13.184 1.00 13.34 H new ATOM 0 HA ALA A 119 -2.498 2.666 -14.106 1.00 33.42 H new ATOM 0 HB1 ALA A 119 -1.807 3.827 -16.195 1.00 12.31 H new ATOM 0 HB2 ALA A 119 -3.328 4.484 -15.545 1.00 12.31 H new ATOM 0 HB3 ALA A 119 -1.805 5.377 -15.320 1.00 12.31 H new ATOM 1867 N GLU A 120 0.166 4.348 -13.139 1.00 42.43 N ATOM 1868 CA GLU A 120 1.594 4.215 -12.751 1.00 53.54 C ATOM 1869 C GLU A 120 1.842 2.912 -11.941 1.00 32.33 C ATOM 1870 O GLU A 120 2.765 2.151 -12.234 1.00 22.22 O ATOM 1871 CB GLU A 120 2.022 5.454 -11.908 1.00 15.40 C ATOM 1872 CG GLU A 120 3.465 5.403 -11.345 1.00 11.21 C ATOM 1873 CD GLU A 120 3.816 6.610 -10.452 1.00 74.54 C ATOM 1874 OE1 GLU A 120 3.161 6.788 -9.401 1.00 74.05 O ATOM 1875 OE2 GLU A 120 4.732 7.393 -10.799 1.00 33.43 O ATOM 0 H GLU A 120 -0.264 5.219 -12.827 1.00 42.43 H new ATOM 0 HA GLU A 120 2.192 4.163 -13.661 1.00 53.54 H new ATOM 0 HB2 GLU A 120 1.922 6.346 -12.526 1.00 15.40 H new ATOM 0 HB3 GLU A 120 1.328 5.564 -11.075 1.00 15.40 H new ATOM 0 HG2 GLU A 120 3.591 4.486 -10.770 1.00 11.21 H new ATOM 0 HG3 GLU A 120 4.170 5.357 -12.175 1.00 11.21 H new ATOM 1882 N TYR A 121 0.994 2.669 -10.928 1.00 25.15 N ATOM 1883 CA TYR A 121 1.105 1.487 -10.046 1.00 72.14 C ATOM 1884 C TYR A 121 0.555 0.201 -10.724 1.00 14.44 C ATOM 1885 O TYR A 121 1.226 -0.821 -10.755 1.00 12.31 O ATOM 1886 CB TYR A 121 0.375 1.764 -8.717 1.00 62.51 C ATOM 1887 CG TYR A 121 0.563 0.702 -7.617 1.00 43.20 C ATOM 1888 CD1 TYR A 121 1.793 0.074 -7.401 1.00 63.14 C ATOM 1889 CD2 TYR A 121 -0.489 0.342 -6.788 1.00 33.50 C ATOM 1890 CE1 TYR A 121 1.950 -0.870 -6.404 1.00 72.32 C ATOM 1891 CE2 TYR A 121 -0.335 -0.591 -5.791 1.00 44.40 C ATOM 1892 CZ TYR A 121 0.881 -1.196 -5.604 1.00 75.22 C ATOM 1893 OH TYR A 121 1.019 -2.135 -4.610 1.00 5.35 O ATOM 0 H TYR A 121 0.213 3.282 -10.695 1.00 25.15 H new ATOM 0 HA TYR A 121 2.162 1.310 -9.847 1.00 72.14 H new ATOM 0 HB2 TYR A 121 0.715 2.725 -8.331 1.00 62.51 H new ATOM 0 HB3 TYR A 121 -0.691 1.862 -8.923 1.00 62.51 H new ATOM 0 HD1 TYR A 121 2.636 0.331 -8.025 1.00 63.14 H new ATOM 0 HD2 TYR A 121 -1.454 0.807 -6.930 1.00 33.50 H new ATOM 0 HE1 TYR A 121 2.907 -1.349 -6.254 1.00 72.32 H new ATOM 0 HE2 TYR A 121 -1.170 -0.847 -5.156 1.00 44.40 H new ATOM 0 HH TYR A 121 0.165 -2.242 -4.141 1.00 5.35 H new ATOM 1903 N THR A 122 -0.683 0.281 -11.245 1.00 74.23 N ATOM 1904 CA THR A 122 -1.395 -0.863 -11.879 1.00 0.23 C ATOM 1905 C THR A 122 -0.628 -1.450 -13.096 1.00 23.05 C ATOM 1906 O THR A 122 -0.385 -2.658 -13.163 1.00 42.14 O ATOM 1907 CB THR A 122 -2.847 -0.441 -12.320 1.00 11.02 C ATOM 1908 OG1 THR A 122 -3.627 -0.095 -11.158 1.00 51.21 O ATOM 1909 CG2 THR A 122 -3.575 -1.542 -13.120 1.00 34.03 C ATOM 0 H THR A 122 -1.228 1.143 -11.242 1.00 74.23 H new ATOM 0 HA THR A 122 -1.454 -1.645 -11.122 1.00 0.23 H new ATOM 0 HB THR A 122 -2.741 0.420 -12.980 1.00 11.02 H new ATOM 0 HG1 THR A 122 -3.461 0.841 -10.920 1.00 51.21 H new ATOM 0 HG21 THR A 122 -4.570 -1.193 -13.396 1.00 34.03 H new ATOM 0 HG22 THR A 122 -3.008 -1.772 -14.022 1.00 34.03 H new ATOM 0 HG23 THR A 122 -3.662 -2.440 -12.508 1.00 34.03 H new ATOM 1917 N GLU A 123 -0.277 -0.589 -14.056 1.00 4.52 N ATOM 1918 CA GLU A 123 0.406 -1.009 -15.301 1.00 61.53 C ATOM 1919 C GLU A 123 1.842 -1.560 -15.038 1.00 61.30 C ATOM 1920 O GLU A 123 2.251 -2.558 -15.643 1.00 40.43 O ATOM 1921 CB GLU A 123 0.461 0.191 -16.278 1.00 1.54 C ATOM 1922 CG GLU A 123 0.910 -0.139 -17.709 1.00 55.05 C ATOM 1923 CD GLU A 123 1.241 1.118 -18.536 1.00 51.55 C ATOM 1924 OE1 GLU A 123 2.396 1.602 -18.460 1.00 61.05 O ATOM 1925 OE2 GLU A 123 0.354 1.635 -19.252 1.00 54.10 O ATOM 0 H GLU A 123 -0.453 0.414 -14.001 1.00 4.52 H new ATOM 0 HA GLU A 123 -0.167 -1.826 -15.739 1.00 61.53 H new ATOM 0 HB2 GLU A 123 -0.529 0.646 -16.323 1.00 1.54 H new ATOM 0 HB3 GLU A 123 1.138 0.940 -15.867 1.00 1.54 H new ATOM 0 HG2 GLU A 123 1.788 -0.784 -17.670 1.00 55.05 H new ATOM 0 HG3 GLU A 123 0.123 -0.702 -18.211 1.00 55.05 H new ATOM 1932 N SER A 124 2.593 -0.906 -14.131 1.00 41.45 N ATOM 1933 CA SER A 124 4.021 -1.255 -13.861 1.00 44.42 C ATOM 1934 C SER A 124 4.193 -2.415 -12.837 1.00 15.13 C ATOM 1935 O SER A 124 5.106 -3.237 -12.975 1.00 54.33 O ATOM 1936 CB SER A 124 4.764 0.000 -13.350 1.00 11.30 C ATOM 1937 OG SER A 124 6.109 -0.277 -13.001 1.00 61.23 O ATOM 0 H SER A 124 2.244 -0.131 -13.567 1.00 41.45 H new ATOM 0 HA SER A 124 4.445 -1.605 -14.802 1.00 44.42 H new ATOM 0 HB2 SER A 124 4.742 0.771 -14.120 1.00 11.30 H new ATOM 0 HB3 SER A 124 4.241 0.401 -12.482 1.00 11.30 H new ATOM 0 HG SER A 124 6.541 0.544 -12.685 1.00 61.23 H new ATOM 1943 N PHE A 125 3.320 -2.468 -11.814 1.00 25.05 N ATOM 1944 CA PHE A 125 3.420 -3.448 -10.690 1.00 4.41 C ATOM 1945 C PHE A 125 2.262 -4.482 -10.700 1.00 10.14 C ATOM 1946 O PHE A 125 2.128 -5.251 -9.744 1.00 51.23 O ATOM 1947 CB PHE A 125 3.434 -2.699 -9.319 1.00 53.12 C ATOM 1948 CG PHE A 125 4.612 -1.735 -9.096 1.00 35.15 C ATOM 1949 CD1 PHE A 125 4.595 -0.437 -9.616 1.00 13.34 C ATOM 1950 CD2 PHE A 125 5.726 -2.123 -8.347 1.00 52.42 C ATOM 1951 CE1 PHE A 125 5.652 0.435 -9.398 1.00 72.02 C ATOM 1952 CE2 PHE A 125 6.776 -1.246 -8.127 1.00 34.44 C ATOM 1953 CZ PHE A 125 6.742 0.029 -8.654 1.00 42.14 C ATOM 0 H PHE A 125 2.522 -1.838 -11.733 1.00 25.05 H new ATOM 0 HA PHE A 125 4.354 -3.993 -10.828 1.00 4.41 H new ATOM 0 HB2 PHE A 125 2.505 -2.136 -9.224 1.00 53.12 H new ATOM 0 HB3 PHE A 125 3.440 -3.441 -8.521 1.00 53.12 H new ATOM 0 HD1 PHE A 125 3.746 -0.108 -10.196 1.00 13.34 H new ATOM 0 HD2 PHE A 125 5.769 -3.120 -7.934 1.00 52.42 H new ATOM 0 HE1 PHE A 125 5.622 1.433 -9.811 1.00 72.02 H new ATOM 0 HE2 PHE A 125 7.626 -1.562 -7.540 1.00 34.44 H new ATOM 0 HZ PHE A 125 7.565 0.707 -8.485 1.00 42.14 H new ATOM 1963 N GLY A 126 1.416 -4.469 -11.754 1.00 43.44 N ATOM 1964 CA GLY A 126 0.305 -5.442 -11.903 1.00 64.40 C ATOM 1965 C GLY A 126 -0.704 -5.469 -10.737 1.00 62.42 C ATOM 1966 O GLY A 126 -0.665 -4.612 -9.851 1.00 75.12 O ATOM 0 H GLY A 126 1.480 -3.795 -12.517 1.00 43.44 H new ATOM 0 HA2 GLY A 126 -0.234 -5.216 -12.823 1.00 64.40 H new ATOM 0 HA3 GLY A 126 0.730 -6.439 -12.018 1.00 64.40 H new ATOM 1970 N ASP A 127 -1.667 -6.409 -10.778 1.00 74.22 N ATOM 1971 CA ASP A 127 -2.493 -6.759 -9.593 1.00 34.32 C ATOM 1972 C ASP A 127 -1.843 -7.909 -8.773 1.00 32.31 C ATOM 1973 O ASP A 127 -1.989 -7.975 -7.556 1.00 54.54 O ATOM 1974 CB ASP A 127 -3.952 -7.100 -9.998 1.00 54.31 C ATOM 1975 CG ASP A 127 -4.054 -8.256 -10.999 1.00 14.43 C ATOM 1976 OD1 ASP A 127 -3.811 -8.020 -12.205 1.00 75.24 O ATOM 1977 OD2 ASP A 127 -4.379 -9.394 -10.594 1.00 15.55 O ATOM 0 H ASP A 127 -1.897 -6.943 -11.616 1.00 74.22 H new ATOM 0 HA ASP A 127 -2.534 -5.881 -8.949 1.00 34.32 H new ATOM 0 HB2 ASP A 127 -4.519 -7.354 -9.103 1.00 54.31 H new ATOM 0 HB3 ASP A 127 -4.417 -6.214 -10.430 1.00 54.31 H new ATOM 1982 N ASN A 128 -1.110 -8.794 -9.460 1.00 5.31 N ATOM 1983 CA ASN A 128 -0.525 -10.026 -8.862 1.00 60.20 C ATOM 1984 C ASN A 128 0.911 -9.816 -8.338 1.00 73.51 C ATOM 1985 O ASN A 128 1.416 -10.639 -7.574 1.00 71.51 O ATOM 1986 CB ASN A 128 -0.542 -11.165 -9.914 1.00 14.30 C ATOM 1987 CG ASN A 128 -1.944 -11.688 -10.208 1.00 3.44 C ATOM 1988 OD1 ASN A 128 -2.753 -11.851 -9.305 1.00 21.13 O ATOM 1989 ND2 ASN A 128 -2.252 -11.928 -11.466 1.00 60.31 N ATOM 0 H ASN A 128 -0.898 -8.686 -10.452 1.00 5.31 H new ATOM 0 HA ASN A 128 -1.138 -10.292 -8.001 1.00 60.20 H new ATOM 0 HB2 ASN A 128 -0.094 -10.803 -10.840 1.00 14.30 H new ATOM 0 HB3 ASN A 128 0.079 -11.988 -9.560 1.00 14.30 H new ATOM 0 HD21 ASN A 128 -3.186 -12.259 -11.708 1.00 60.31 H new ATOM 0 HD22 ASN A 128 -1.557 -11.783 -12.198 1.00 60.31 H new ATOM 1996 N VAL A 129 1.559 -8.714 -8.723 1.00 45.12 N ATOM 1997 CA VAL A 129 2.978 -8.467 -8.396 1.00 21.21 C ATOM 1998 C VAL A 129 3.103 -7.530 -7.166 1.00 4.43 C ATOM 1999 O VAL A 129 2.315 -6.597 -6.993 1.00 62.41 O ATOM 2000 CB VAL A 129 3.746 -7.880 -9.638 1.00 30.31 C ATOM 2001 CG1 VAL A 129 5.228 -7.584 -9.316 1.00 24.34 C ATOM 2002 CG2 VAL A 129 3.620 -8.824 -10.858 1.00 42.11 C ATOM 0 H VAL A 129 1.124 -7.968 -9.267 1.00 45.12 H new ATOM 0 HA VAL A 129 3.440 -9.420 -8.140 1.00 21.21 H new ATOM 0 HB VAL A 129 3.277 -6.929 -9.890 1.00 30.31 H new ATOM 0 HG11 VAL A 129 5.719 -7.181 -10.201 1.00 24.34 H new ATOM 0 HG12 VAL A 129 5.286 -6.857 -8.506 1.00 24.34 H new ATOM 0 HG13 VAL A 129 5.726 -8.505 -9.013 1.00 24.34 H new ATOM 0 HG21 VAL A 129 4.158 -8.398 -11.705 1.00 42.11 H new ATOM 0 HG22 VAL A 129 4.044 -9.797 -10.610 1.00 42.11 H new ATOM 0 HG23 VAL A 129 2.568 -8.943 -11.119 1.00 42.11 H new ATOM 2012 N VAL A 130 4.093 -7.828 -6.305 1.00 45.11 N ATOM 2013 CA VAL A 130 4.351 -7.108 -5.049 1.00 21.45 C ATOM 2014 C VAL A 130 5.078 -5.761 -5.339 1.00 65.41 C ATOM 2015 O VAL A 130 6.011 -5.738 -6.156 1.00 23.21 O ATOM 2016 CB VAL A 130 5.261 -7.987 -4.091 1.00 11.20 C ATOM 2017 CG1 VAL A 130 5.483 -7.317 -2.711 1.00 75.23 C ATOM 2018 CG2 VAL A 130 4.692 -9.417 -3.923 1.00 41.13 C ATOM 0 H VAL A 130 4.748 -8.592 -6.468 1.00 45.11 H new ATOM 0 HA VAL A 130 3.394 -6.910 -4.566 1.00 21.45 H new ATOM 0 HB VAL A 130 6.235 -8.063 -4.574 1.00 11.20 H new ATOM 0 HG11 VAL A 130 6.112 -7.958 -2.092 1.00 75.23 H new ATOM 0 HG12 VAL A 130 5.972 -6.353 -2.849 1.00 75.23 H new ATOM 0 HG13 VAL A 130 4.521 -7.169 -2.220 1.00 75.23 H new ATOM 0 HG21 VAL A 130 5.340 -9.991 -3.261 1.00 41.13 H new ATOM 0 HG22 VAL A 130 3.692 -9.362 -3.494 1.00 41.13 H new ATOM 0 HG23 VAL A 130 4.643 -9.906 -4.896 1.00 41.13 H new ATOM 2028 N PRO A 131 4.675 -4.625 -4.678 1.00 21.22 N ATOM 2029 CA PRO A 131 5.401 -3.335 -4.792 1.00 74.14 C ATOM 2030 C PRO A 131 6.830 -3.419 -4.201 1.00 23.43 C ATOM 2031 O PRO A 131 7.095 -4.198 -3.275 1.00 52.24 O ATOM 2032 CB PRO A 131 4.520 -2.343 -3.986 1.00 13.02 C ATOM 2033 CG PRO A 131 3.790 -3.221 -3.015 1.00 14.43 C ATOM 2034 CD PRO A 131 3.497 -4.495 -3.782 1.00 43.04 C ATOM 0 HA PRO A 131 5.543 -3.033 -5.830 1.00 74.14 H new ATOM 0 HB2 PRO A 131 5.126 -1.596 -3.473 1.00 13.02 H new ATOM 0 HB3 PRO A 131 3.830 -1.803 -4.634 1.00 13.02 H new ATOM 0 HG2 PRO A 131 4.396 -3.423 -2.132 1.00 14.43 H new ATOM 0 HG3 PRO A 131 2.871 -2.748 -2.669 1.00 14.43 H new ATOM 0 HD2 PRO A 131 3.399 -5.353 -3.117 1.00 43.04 H new ATOM 0 HD3 PRO A 131 2.567 -4.422 -4.346 1.00 43.04 H new ATOM 2042 N TYR A 132 7.742 -2.632 -4.769 1.00 52.22 N ATOM 2043 CA TYR A 132 9.124 -2.505 -4.275 1.00 73.22 C ATOM 2044 C TYR A 132 9.571 -1.034 -4.335 1.00 43.13 C ATOM 2045 O TYR A 132 9.100 -0.261 -5.188 1.00 2.51 O ATOM 2046 CB TYR A 132 10.091 -3.429 -5.079 1.00 71.12 C ATOM 2047 CG TYR A 132 9.980 -3.307 -6.614 1.00 42.20 C ATOM 2048 CD1 TYR A 132 10.708 -2.348 -7.325 1.00 1.30 C ATOM 2049 CD2 TYR A 132 9.137 -4.155 -7.344 1.00 71.31 C ATOM 2050 CE1 TYR A 132 10.600 -2.241 -8.699 1.00 51.43 C ATOM 2051 CE2 TYR A 132 9.028 -4.050 -8.715 1.00 13.15 C ATOM 2052 CZ TYR A 132 9.760 -3.093 -9.389 1.00 32.43 C ATOM 2053 OH TYR A 132 9.657 -2.989 -10.762 1.00 30.54 O ATOM 0 H TYR A 132 7.548 -2.059 -5.590 1.00 52.22 H new ATOM 0 HA TYR A 132 9.157 -2.830 -3.235 1.00 73.22 H new ATOM 0 HB2 TYR A 132 11.116 -3.202 -4.784 1.00 71.12 H new ATOM 0 HB3 TYR A 132 9.900 -4.464 -4.797 1.00 71.12 H new ATOM 0 HD1 TYR A 132 11.366 -1.679 -6.791 1.00 1.30 H new ATOM 0 HD2 TYR A 132 8.561 -4.906 -6.823 1.00 71.31 H new ATOM 0 HE1 TYR A 132 11.170 -1.494 -9.231 1.00 51.43 H new ATOM 0 HE2 TYR A 132 8.373 -4.714 -9.259 1.00 13.15 H new ATOM 0 HH TYR A 132 9.026 -3.661 -11.095 1.00 30.54 H new ATOM 2063 N PHE A 133 10.449 -0.648 -3.395 1.00 23.03 N ATOM 2064 CA PHE A 133 11.114 0.662 -3.424 1.00 40.53 C ATOM 2065 C PHE A 133 12.087 0.709 -4.626 1.00 74.43 C ATOM 2066 O PHE A 133 12.861 -0.231 -4.845 1.00 22.12 O ATOM 2067 CB PHE A 133 11.859 0.916 -2.083 1.00 62.43 C ATOM 2068 CG PHE A 133 12.569 2.274 -1.997 1.00 54.23 C ATOM 2069 CD1 PHE A 133 11.840 3.461 -1.985 1.00 55.54 C ATOM 2070 CD2 PHE A 133 13.963 2.364 -1.936 1.00 22.33 C ATOM 2071 CE1 PHE A 133 12.476 4.689 -1.916 1.00 63.30 C ATOM 2072 CE2 PHE A 133 14.597 3.590 -1.868 1.00 72.01 C ATOM 2073 CZ PHE A 133 13.853 4.753 -1.858 1.00 72.52 C ATOM 0 H PHE A 133 10.715 -1.230 -2.601 1.00 23.03 H new ATOM 0 HA PHE A 133 10.372 1.452 -3.543 1.00 40.53 H new ATOM 0 HB2 PHE A 133 11.143 0.842 -1.264 1.00 62.43 H new ATOM 0 HB3 PHE A 133 12.595 0.125 -1.935 1.00 62.43 H new ATOM 0 HD1 PHE A 133 10.762 3.423 -2.030 1.00 55.54 H new ATOM 0 HD2 PHE A 133 14.554 1.460 -1.942 1.00 22.33 H new ATOM 0 HE1 PHE A 133 11.893 5.598 -1.908 1.00 63.30 H new ATOM 0 HE2 PHE A 133 15.675 3.638 -1.823 1.00 72.01 H new ATOM 0 HZ PHE A 133 14.348 5.711 -1.805 1.00 72.52 H new ATOM 2083 N ARG A 134 12.043 1.809 -5.390 1.00 32.21 N ATOM 2084 CA ARG A 134 12.795 1.944 -6.652 1.00 15.42 C ATOM 2085 C ARG A 134 14.243 2.412 -6.373 1.00 74.11 C ATOM 2086 O ARG A 134 14.587 3.588 -6.523 1.00 0.21 O ATOM 2087 CB ARG A 134 12.028 2.897 -7.608 1.00 73.15 C ATOM 2088 CG ARG A 134 10.573 2.438 -7.888 1.00 54.01 C ATOM 2089 CD ARG A 134 9.788 3.407 -8.785 1.00 42.45 C ATOM 2090 NE ARG A 134 10.351 3.478 -10.149 1.00 12.43 N ATOM 2091 CZ ARG A 134 9.658 3.367 -11.267 1.00 2.13 C ATOM 2092 NH1 ARG A 134 8.372 3.185 -11.244 1.00 14.50 N ATOM 2093 NH2 ARG A 134 10.264 3.441 -12.407 1.00 43.32 N ATOM 0 H ARG A 134 11.487 2.631 -5.154 1.00 32.21 H new ATOM 0 HA ARG A 134 12.875 0.975 -7.145 1.00 15.42 H new ATOM 0 HB2 ARG A 134 12.010 3.898 -7.176 1.00 73.15 H new ATOM 0 HB3 ARG A 134 12.568 2.967 -8.552 1.00 73.15 H new ATOM 0 HG2 ARG A 134 10.595 1.455 -8.359 1.00 54.01 H new ATOM 0 HG3 ARG A 134 10.047 2.325 -6.940 1.00 54.01 H new ATOM 0 HD2 ARG A 134 8.747 3.089 -8.839 1.00 42.45 H new ATOM 0 HD3 ARG A 134 9.795 4.401 -8.338 1.00 42.45 H new ATOM 0 HE ARG A 134 11.357 3.625 -10.234 1.00 12.43 H new ATOM 0 HH11 ARG A 134 7.881 3.126 -10.352 1.00 14.50 H new ATOM 0 HH12 ARG A 134 7.853 3.101 -12.118 1.00 14.50 H new ATOM 0 HH21 ARG A 134 11.273 3.585 -12.440 1.00 43.32 H new ATOM 0 HH22 ARG A 134 9.733 3.356 -13.273 1.00 43.32 H new ATOM 2107 N GLY A 135 15.059 1.449 -5.911 1.00 30.22 N ATOM 2108 CA GLY A 135 16.450 1.679 -5.507 1.00 64.03 C ATOM 2109 C GLY A 135 16.811 0.903 -4.240 1.00 41.13 C ATOM 2110 O GLY A 135 15.918 0.442 -3.517 1.00 64.54 O ATOM 0 H GLY A 135 14.764 0.478 -5.808 1.00 30.22 H new ATOM 0 HA2 GLY A 135 17.117 1.383 -6.317 1.00 64.03 H new ATOM 0 HA3 GLY A 135 16.608 2.744 -5.338 1.00 64.03 H new ATOM 2114 N LEU A 136 18.132 0.734 -3.990 1.00 21.10 N ATOM 2115 CA LEU A 136 18.675 0.092 -2.752 1.00 51.13 C ATOM 2116 C LEU A 136 18.245 -1.399 -2.581 1.00 22.32 C ATOM 2117 O LEU A 136 18.492 -1.997 -1.520 1.00 45.20 O ATOM 2118 CB LEU A 136 18.314 0.925 -1.464 1.00 41.42 C ATOM 2119 CG LEU A 136 18.990 2.332 -1.296 1.00 73.35 C ATOM 2120 CD1 LEU A 136 20.522 2.233 -1.409 1.00 42.14 C ATOM 2121 CD2 LEU A 136 18.418 3.388 -2.269 1.00 52.11 C ATOM 0 H LEU A 136 18.859 1.037 -4.638 1.00 21.10 H new ATOM 0 HA LEU A 136 19.758 0.089 -2.876 1.00 51.13 H new ATOM 0 HB2 LEU A 136 17.233 1.067 -1.448 1.00 41.42 H new ATOM 0 HB3 LEU A 136 18.570 0.323 -0.592 1.00 41.42 H new ATOM 0 HG LEU A 136 18.748 2.676 -0.290 1.00 73.35 H new ATOM 0 HD11 LEU A 136 20.961 3.224 -1.288 1.00 42.14 H new ATOM 0 HD12 LEU A 136 20.902 1.571 -0.631 1.00 42.14 H new ATOM 0 HD13 LEU A 136 20.790 1.835 -2.388 1.00 42.14 H new ATOM 0 HD21 LEU A 136 18.922 4.341 -2.109 1.00 52.11 H new ATOM 0 HD22 LEU A 136 18.579 3.061 -3.296 1.00 52.11 H new ATOM 0 HD23 LEU A 136 17.350 3.507 -2.089 1.00 52.11 H new ATOM 2133 N GLU A 137 17.651 -2.000 -3.636 1.00 1.34 N ATOM 2134 CA GLU A 137 17.115 -3.384 -3.592 1.00 0.11 C ATOM 2135 C GLU A 137 18.261 -4.422 -3.456 1.00 1.35 C ATOM 2136 O GLU A 137 19.191 -4.418 -4.269 1.00 51.12 O ATOM 2137 CB GLU A 137 16.295 -3.693 -4.873 1.00 65.44 C ATOM 2138 CG GLU A 137 15.563 -5.059 -4.844 1.00 24.11 C ATOM 2139 CD GLU A 137 15.111 -5.544 -6.229 1.00 33.53 C ATOM 2140 OE1 GLU A 137 13.976 -5.237 -6.653 1.00 1.22 O ATOM 2141 OE2 GLU A 137 15.892 -6.269 -6.893 1.00 1.20 O ATOM 0 H GLU A 137 17.529 -1.544 -4.540 1.00 1.34 H new ATOM 0 HA GLU A 137 16.466 -3.457 -2.719 1.00 0.11 H new ATOM 0 HB2 GLU A 137 15.559 -2.902 -5.020 1.00 65.44 H new ATOM 0 HB3 GLU A 137 16.964 -3.670 -5.733 1.00 65.44 H new ATOM 0 HG2 GLU A 137 16.223 -5.806 -4.404 1.00 24.11 H new ATOM 0 HG3 GLU A 137 14.692 -4.981 -4.193 1.00 24.11 H new ATOM 2148 N HIS A 138 18.168 -5.306 -2.430 1.00 61.41 N ATOM 2149 CA HIS A 138 19.221 -6.309 -2.087 1.00 4.23 C ATOM 2150 C HIS A 138 20.587 -5.651 -1.712 1.00 12.31 C ATOM 2151 O HIS A 138 21.642 -6.296 -1.778 1.00 31.20 O ATOM 2152 CB HIS A 138 19.397 -7.350 -3.230 1.00 54.42 C ATOM 2153 CG HIS A 138 18.167 -8.183 -3.511 1.00 35.42 C ATOM 2154 ND1 HIS A 138 17.319 -7.957 -4.578 1.00 72.34 N ATOM 2155 CD2 HIS A 138 17.663 -9.262 -2.862 1.00 62.03 C ATOM 2156 CE1 HIS A 138 16.355 -8.851 -4.571 1.00 31.15 C ATOM 2157 NE2 HIS A 138 16.539 -9.654 -3.546 1.00 22.14 N ATOM 0 H HIS A 138 17.358 -5.347 -1.811 1.00 61.41 H new ATOM 0 HA HIS A 138 18.873 -6.830 -1.195 1.00 4.23 H new ATOM 0 HB2 HIS A 138 19.682 -6.825 -4.142 1.00 54.42 H new ATOM 0 HB3 HIS A 138 20.221 -8.016 -2.975 1.00 54.42 H new ATOM 0 HD2 HIS A 138 18.069 -9.725 -1.975 1.00 62.03 H new ATOM 0 HE1 HIS A 138 15.548 -8.915 -5.286 1.00 31.15 H new ATOM 0 HE2 HIS A 138 15.942 -10.443 -3.298 1.00 22.14 H new ATOM 2166 N HIS A 139 20.547 -4.380 -1.267 1.00 3.32 N ATOM 2167 CA HIS A 139 21.752 -3.618 -0.850 1.00 24.21 C ATOM 2168 C HIS A 139 21.647 -3.115 0.615 1.00 13.22 C ATOM 2169 O HIS A 139 22.663 -2.752 1.216 1.00 4.22 O ATOM 2170 CB HIS A 139 21.995 -2.437 -1.825 1.00 60.30 C ATOM 2171 CG HIS A 139 22.364 -2.877 -3.223 1.00 42.44 C ATOM 2172 ND1 HIS A 139 21.493 -2.833 -4.294 1.00 30.14 N ATOM 2173 CD2 HIS A 139 23.522 -3.382 -3.713 1.00 32.13 C ATOM 2174 CE1 HIS A 139 22.099 -3.289 -5.372 1.00 14.13 C ATOM 2175 NE2 HIS A 139 23.326 -3.628 -5.047 1.00 1.20 N ATOM 0 H HIS A 139 19.681 -3.848 -1.185 1.00 3.32 H new ATOM 0 HA HIS A 139 22.605 -4.295 -0.890 1.00 24.21 H new ATOM 0 HB2 HIS A 139 21.096 -1.823 -1.871 1.00 60.30 H new ATOM 0 HB3 HIS A 139 22.791 -1.807 -1.429 1.00 60.30 H new ATOM 0 HD1 HIS A 139 20.530 -2.499 -4.257 1.00 30.14 H new ATOM 0 HD2 HIS A 139 24.430 -3.558 -3.156 1.00 32.13 H new ATOM 0 HE1 HIS A 139 21.661 -3.370 -6.356 1.00 14.13 H new ATOM 2184 N HIS A 140 20.425 -3.092 1.185 1.00 52.03 N ATOM 2185 CA HIS A 140 20.208 -2.680 2.596 1.00 53.41 C ATOM 2186 C HIS A 140 20.439 -3.888 3.548 1.00 70.11 C ATOM 2187 O HIS A 140 19.605 -4.801 3.631 1.00 2.41 O ATOM 2188 CB HIS A 140 18.779 -2.095 2.781 1.00 31.32 C ATOM 2189 CG HIS A 140 18.542 -1.432 4.124 1.00 53.30 C ATOM 2190 ND1 HIS A 140 18.433 -2.134 5.308 1.00 1.21 N ATOM 2191 CD2 HIS A 140 18.385 -0.126 4.458 1.00 63.25 C ATOM 2192 CE1 HIS A 140 18.215 -1.299 6.302 1.00 1.11 C ATOM 2193 NE2 HIS A 140 18.185 -0.077 5.816 1.00 15.55 N ATOM 0 H HIS A 140 19.570 -3.353 0.694 1.00 52.03 H new ATOM 0 HA HIS A 140 20.927 -1.900 2.848 1.00 53.41 H new ATOM 0 HB2 HIS A 140 18.593 -1.366 1.992 1.00 31.32 H new ATOM 0 HB3 HIS A 140 18.052 -2.897 2.652 1.00 31.32 H new ATOM 0 HD2 HIS A 140 18.412 0.717 3.783 1.00 63.25 H new ATOM 0 HE1 HIS A 140 18.083 -1.571 7.339 1.00 1.11 H new ATOM 0 HE2 HIS A 140 18.037 0.772 6.361 1.00 15.55 H new ATOM 2202 N HIS A 141 21.579 -3.883 4.252 1.00 61.53 N ATOM 2203 CA HIS A 141 21.957 -4.964 5.196 1.00 34.30 C ATOM 2204 C HIS A 141 21.202 -4.817 6.545 1.00 23.22 C ATOM 2205 O HIS A 141 20.640 -3.759 6.845 1.00 62.45 O ATOM 2206 CB HIS A 141 23.493 -4.947 5.423 1.00 35.23 C ATOM 2207 CG HIS A 141 24.318 -4.993 4.152 1.00 53.31 C ATOM 2208 ND1 HIS A 141 24.805 -6.161 3.599 1.00 20.42 N ATOM 2209 CD2 HIS A 141 24.749 -3.998 3.332 1.00 21.31 C ATOM 2210 CE1 HIS A 141 25.497 -5.881 2.512 1.00 73.02 C ATOM 2211 NE2 HIS A 141 25.477 -4.582 2.326 1.00 15.30 N ATOM 0 H HIS A 141 22.269 -3.135 4.189 1.00 61.53 H new ATOM 0 HA HIS A 141 21.672 -5.922 4.761 1.00 34.30 H new ATOM 0 HB2 HIS A 141 23.755 -4.047 5.979 1.00 35.23 H new ATOM 0 HB3 HIS A 141 23.764 -5.798 6.048 1.00 35.23 H new ATOM 0 HD2 HIS A 141 24.554 -2.942 3.451 1.00 21.31 H new ATOM 0 HE1 HIS A 141 25.997 -6.600 1.880 1.00 73.02 H new ATOM 0 HE2 HIS A 141 25.929 -4.087 1.558 1.00 15.30 H new ATOM 2220 N HIS A 142 21.191 -5.902 7.344 1.00 21.33 N ATOM 2221 CA HIS A 142 20.570 -5.912 8.690 1.00 33.04 C ATOM 2222 C HIS A 142 21.463 -5.174 9.727 1.00 45.13 C ATOM 2223 O HIS A 142 20.944 -4.507 10.629 1.00 13.24 O ATOM 2224 CB HIS A 142 20.318 -7.379 9.142 1.00 73.33 C ATOM 2225 CG HIS A 142 19.735 -7.511 10.533 1.00 74.31 C ATOM 2226 ND1 HIS A 142 20.518 -7.605 11.668 1.00 1.22 N ATOM 2227 CD2 HIS A 142 18.450 -7.549 10.971 1.00 72.02 C ATOM 2228 CE1 HIS A 142 19.748 -7.687 12.732 1.00 5.01 C ATOM 2229 NE2 HIS A 142 18.496 -7.658 12.339 1.00 14.33 N ATOM 0 H HIS A 142 21.609 -6.794 7.079 1.00 21.33 H new ATOM 0 HA HIS A 142 19.618 -5.384 8.633 1.00 33.04 H new ATOM 0 HB2 HIS A 142 19.643 -7.855 8.431 1.00 73.33 H new ATOM 0 HB3 HIS A 142 21.260 -7.926 9.102 1.00 73.33 H new ATOM 0 HD1 HIS A 142 21.538 -7.610 11.679 1.00 1.22 H new ATOM 0 HD2 HIS A 142 17.561 -7.502 10.360 1.00 72.02 H new ATOM 0 HE1 HIS A 142 20.088 -7.765 13.754 1.00 5.01 H new ATOM 2238 N HIS A 143 22.803 -5.330 9.577 1.00 60.12 N ATOM 2239 CA HIS A 143 23.832 -4.791 10.509 1.00 72.51 C ATOM 2240 C HIS A 143 23.678 -5.367 11.937 1.00 15.23 C ATOM 2241 O HIS A 143 23.287 -6.521 12.128 1.00 32.03 O ATOM 2242 CB HIS A 143 23.809 -3.233 10.511 1.00 12.23 C ATOM 2243 CG HIS A 143 24.866 -2.576 11.366 1.00 42.12 C ATOM 2244 ND1 HIS A 143 26.154 -2.353 10.929 1.00 71.12 N ATOM 2245 CD2 HIS A 143 24.819 -2.094 12.633 1.00 2.54 C ATOM 2246 CE1 HIS A 143 26.849 -1.773 11.884 1.00 12.14 C ATOM 2247 NE2 HIS A 143 26.066 -1.603 12.928 1.00 34.24 N ATOM 0 H HIS A 143 23.207 -5.842 8.793 1.00 60.12 H new ATOM 0 HA HIS A 143 24.808 -5.113 10.147 1.00 72.51 H new ATOM 0 HB2 HIS A 143 23.924 -2.882 9.485 1.00 12.23 H new ATOM 0 HB3 HIS A 143 22.829 -2.900 10.853 1.00 12.23 H new ATOM 0 HD2 HIS A 143 23.960 -2.096 13.288 1.00 2.54 H new ATOM 0 HE1 HIS A 143 27.888 -1.485 11.822 1.00 12.14 H new ATOM 0 HE2 HIS A 143 26.341 -1.176 13.812 1.00 34.24 H new TER 2256 HIS A 143